NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601706 | 2mzj | 19098 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -12.277 10.802 1.601 2 HA2 GLY 1 HA2 GLY 1 -14.560 11.081 2.474 3 HA3 GLY 1 HA3 GLY 1 -15.105 11.193 0.798 4 H ASN 2 H ASN 2 -15.340 9.350 -0.411 5 HA ASN 2 HA ASN 2 -15.616 6.833 0.960 6 HB2 ASN 2 HB2 ASN 2 -16.407 6.035 -1.255 7 HB3 ASN 2 HB3 ASN 2 -17.255 7.441 -0.637 8 HD21 ASN 2 HD21 ASN 2 -14.585 6.623 -3.071 9 HD22 ASN 2 HD22 ASN 2 -14.850 8.097 -3.949 10 H ARG 3 H ARG 3 -12.850 7.501 1.165 11 HA ARG 3 HA ARG 3 -11.749 5.140 -0.100 12 HB2 ARG 3 HB2 ARG 3 -9.876 6.165 -1.189 13 HB3 ARG 3 HB3 ARG 3 -11.375 6.647 -1.943 14 HG2 ARG 3 HG2 ARG 3 -11.179 8.871 -1.297 15 HG3 ARG 3 HG3 ARG 3 -10.145 8.508 0.105 16 HD2 ARG 3 HD2 ARG 3 -8.263 7.940 -1.301 17 HD3 ARG 3 HD3 ARG 3 -9.260 8.045 -2.753 18 HE ARG 3 HE ARG 3 -9.183 10.288 -2.771 19 HH11 ARG 3 HH11 ARG 3 -7.574 9.300 0.226 20 HH12 ARG 3 HH12 ARG 3 -6.668 10.780 0.375 21 HH21 ARG 3 HH21 ARG 3 -7.810 12.011 -2.720 22 HH22 ARG 3 HH22 ARG 3 -6.853 12.418 -1.330 23 H PHE 4 H PHE 4 -9.680 4.587 0.691 24 HA PHE 4 HA PHE 4 -8.839 5.895 3.232 25 HB2 PHE 4 HB2 PHE 4 -9.082 2.931 2.561 26 HB3 PHE 4 HB3 PHE 4 -8.365 3.577 4.023 27 HD1 PHE 4 HD2 PHE 4 -11.569 3.233 2.137 28 HD2 PHE 4 HD1 PHE 4 -9.719 4.211 5.908 29 HE1 PHE 4 HE2 PHE 4 -13.810 3.327 3.219 30 HE2 PHE 4 HE1 PHE 4 -11.950 4.283 6.982 31 HZ PHE 4 HZ PHE 4 -14.002 3.855 5.630 32 H ILE 5 H ILE 5 -6.487 5.325 3.698 33 HA ILE 5 HA ILE 5 -4.972 4.830 1.246 34 HB ILE 5 HB ILE 5 -4.216 6.990 3.240 35 HG12 ILE 5 HG12 ILE 5 -4.726 8.298 0.825 36 HG13 ILE 5 HG13 ILE 5 -6.088 7.216 0.950 37 HG21 ILE 5 HG21 ILE 5 -3.088 6.314 0.494 38 HG22 ILE 5 HG22 ILE 5 -2.631 7.712 1.486 39 HG23 ILE 5 HG23 ILE 5 -2.291 6.100 2.084 40 HD11 ILE 5 HD11 ILE 5 -6.353 8.020 3.338 41 HD12 ILE 5 HD12 ILE 5 -5.039 9.185 3.007 42 HD13 ILE 5 HD13 ILE 5 -6.591 9.286 2.134 43 H VAL 6 H VAL 6 -2.963 3.904 1.582 44 HA VAL 6 HA VAL 6 -2.631 2.514 4.191 45 HB VAL 6 HB VAL 6 -1.749 1.701 1.392 46 HG11 VAL 6 HG11 VAL 6 -0.296 0.855 3.226 47 HG12 VAL 6 HG12 VAL 6 -1.718 0.092 3.967 48 HG13 VAL 6 HG13 VAL 6 -1.145 -0.439 2.364 49 HG21 VAL 6 HG21 VAL 6 -4.001 0.609 3.133 50 HG22 VAL 6 HG22 VAL 6 -4.182 1.479 1.598 51 HG23 VAL 6 HG23 VAL 6 -3.425 -0.121 1.624 52 H PHE 7 H PHE 7 -0.856 3.072 5.369 53 HA PHE 7 HA PHE 7 1.162 4.889 4.161 54 HB2 PHE 7 HB2 PHE 7 0.177 5.488 6.395 55 HB3 PHE 7 HB3 PHE 7 0.740 3.972 7.040 56 HD1 PHE 7 HD1 PHE 7 1.856 7.235 5.571 57 HD2 PHE 7 HD2 PHE 7 3.099 3.687 7.688 58 HE1 PHE 7 HE1 PHE 7 4.050 8.242 5.987 59 HE2 PHE 7 HE2 PHE 7 5.291 4.707 8.112 60 HZ PHE 7 HZ PHE 7 5.775 6.975 7.268 61 H VAL 8 H VAL 8 2.526 3.576 2.953 62 HA VAL 8 HA VAL 8 3.531 1.088 4.285 63 HB VAL 8 HB VAL 8 3.732 1.926 1.379 64 HG11 VAL 8 HG11 VAL 8 4.560 -0.288 0.940 65 HG12 VAL 8 HG12 VAL 8 5.489 0.301 2.328 66 HG13 VAL 8 HG13 VAL 8 4.187 -0.840 2.580 67 HG21 VAL 8 HG21 VAL 8 1.421 1.480 1.786 68 HG22 VAL 8 HG22 VAL 8 2.157 0.177 0.844 69 HG23 VAL 8 HG23 VAL 8 1.817 -0.072 2.575 70 H GLY 9 H GLY 9 5.798 1.188 5.046 71 HA2 GLY 9 HA2 GLY 9 7.504 3.148 3.679 72 HA3 GLY 9 HA3 GLY 9 7.241 3.499 5.368 73 H SER 10 H SER 10 9.685 3.269 4.965 74 HA SER 10 HA SER 10 11.591 2.358 5.693 75 HB2 SER 10 HB2 SER 10 9.887 0.814 7.113 76 HB3 SER 10 HB3 SER 10 10.550 -0.411 6.040 77 HG SER 10 HG SER 10 12.657 0.410 6.676 78 H LEU 11 H LEU 11 10.223 1.970 2.931 79 HA LEU 11 HA LEU 11 11.126 -0.301 1.644 80 HB2 LEU 11 HB2 LEU 11 10.390 2.490 0.756 81 HB3 LEU 11 HB3 LEU 11 11.027 1.387 -0.424 82 HG LEU 11 HG LEU 11 9.287 -0.211 -0.110 83 HD11 LEU 11 HD11 LEU 11 8.001 1.615 2.022 84 HD12 LEU 11 HD12 LEU 11 8.772 0.073 2.382 85 HD13 LEU 11 HD13 LEU 11 7.366 0.082 1.354 86 HD21 LEU 11 HD21 LEU 11 8.207 2.607 -0.310 87 HD22 LEU 11 HD22 LEU 11 7.341 1.131 -0.819 88 HD23 LEU 11 HD23 LEU 11 8.838 1.620 -1.611 89 HA PRO 12 HA PRO 12 15.427 0.015 0.767 90 HB2 PRO 12 HB2 PRO 12 15.573 -1.107 -1.773 91 HB3 PRO 12 HB3 PRO 12 15.298 -2.072 -0.305 92 HG2 PRO 12 HG2 PRO 12 13.310 -1.117 -2.334 93 HG3 PRO 12 HG3 PRO 12 13.335 -2.650 -1.446 94 HD2 PRO 12 HD2 PRO 12 11.689 -0.644 -0.754 95 HD3 PRO 12 HD3 PRO 12 12.358 -1.797 0.417 96 H ARG 13 H ARG 13 16.971 1.218 -0.364 97 HA ARG 13 HA ARG 13 16.148 3.695 -1.471 98 HB2 ARG 13 HB2 ARG 13 18.558 2.522 -0.635 99 HB3 ARG 13 HB3 ARG 13 18.819 2.681 -2.349 100 HG2 ARG 13 HG2 ARG 13 19.707 4.610 -1.357 101 HG3 ARG 13 HG3 ARG 13 18.193 5.155 -2.103 102 HD2 ARG 13 HD2 ARG 13 17.087 5.130 0.104 103 HD3 ARG 13 HD3 ARG 13 18.525 4.391 0.840 104 HE ARG 13 HE ARG 13 19.062 6.901 -0.522 105 HH11 ARG 13 HH11 ARG 13 18.040 5.566 2.662 106 HH12 ARG 13 HH12 ARG 13 18.332 7.079 3.466 107 HH21 ARG 13 HH21 ARG 13 19.677 8.685 0.592 108 HH22 ARG 13 HH22 ARG 13 19.347 8.867 2.288 109 H ASP 14 H ASP 14 16.928 0.644 -3.054 110 HA ASP 14 HA ASP 14 16.826 1.748 -5.756 111 HB2 ASP 14 HB2 ASP 14 18.452 0.008 -4.845 112 HB3 ASP 14 HB3 ASP 14 17.076 -1.074 -5.075 113 H ILE 15 H ILE 15 14.262 1.254 -3.821 114 HA ILE 15 HA ILE 15 12.679 -0.718 -4.862 115 HB ILE 15 HB ILE 15 12.153 0.618 -2.897 116 HG12 ILE 15 HG12 ILE 15 9.710 0.890 -3.287 117 HG13 ILE 15 HG13 ILE 15 9.979 0.580 -5.002 118 HG21 ILE 15 HG21 ILE 15 11.219 2.815 -2.992 119 HG22 ILE 15 HG22 ILE 15 12.784 2.859 -3.796 120 HG23 ILE 15 HG23 ILE 15 11.303 2.826 -4.773 121 HD11 ILE 15 HD11 ILE 15 10.769 -1.683 -4.471 122 HD12 ILE 15 HD12 ILE 15 10.599 -1.325 -2.732 123 HD13 ILE 15 HD13 ILE 15 9.168 -1.366 -3.798 124 H THR 16 H THR 16 11.196 -1.098 -6.584 125 HA THR 16 HA THR 16 11.066 0.921 -8.730 126 HB THR 16 HB THR 16 10.847 -1.300 -10.130 127 HG1 THR 16 HG1 THR 16 12.294 -2.872 -9.344 128 HG21 THR 16 HG21 THR 16 13.581 -0.346 -9.160 129 HG22 THR 16 HG22 THR 16 12.607 0.429 -10.424 130 HG23 THR 16 HG23 THR 16 13.209 -1.206 -10.679 131 H ALA 17 H ALA 17 9.091 1.117 -9.780 132 HA ALA 17 HA ALA 17 6.774 0.743 -8.194 133 HB1 ALA 17 HB1 ALA 17 5.575 1.427 -10.245 134 HB2 ALA 17 HB2 ALA 17 7.034 2.426 -10.043 135 HB3 ALA 17 HB3 ALA 17 7.025 1.103 -11.226 136 H VAL 18 H VAL 18 8.316 -1.375 -10.537 137 HA VAL 18 HA VAL 18 6.196 -3.141 -11.101 138 HB VAL 18 HB VAL 18 9.141 -3.894 -10.722 139 HG11 VAL 18 HG11 VAL 18 8.728 -5.511 -12.490 140 HG12 VAL 18 HG12 VAL 18 7.569 -5.764 -11.180 141 HG13 VAL 18 HG13 VAL 18 7.063 -4.937 -12.683 142 HG21 VAL 18 HG21 VAL 18 9.477 -3.304 -13.140 143 HG22 VAL 18 HG22 VAL 18 7.914 -2.459 -13.101 144 HG23 VAL 18 HG23 VAL 18 9.281 -1.915 -12.087 145 H GLU 19 H GLU 19 8.581 -3.042 -8.434 146 HA GLU 19 HA GLU 19 7.642 -5.466 -7.166 147 HB2 GLU 19 HB2 GLU 19 9.515 -3.192 -6.343 148 HB3 GLU 19 HB3 GLU 19 9.284 -4.609 -5.359 149 HG2 GLU 19 HG2 GLU 19 10.198 -4.815 -8.257 150 HG3 GLU 19 HG3 GLU 19 11.281 -4.534 -6.937 151 H LEU 20 H LEU 20 6.396 -2.297 -7.245 152 HA LEU 20 HA LEU 20 5.100 -2.551 -4.586 153 HB2 LEU 20 HB2 LEU 20 5.200 -0.304 -6.643 154 HB3 LEU 20 HB3 LEU 20 4.154 -0.269 -5.249 155 HG LEU 20 HG LEU 20 7.196 -0.318 -5.256 156 HD11 LEU 20 HD11 LEU 20 6.936 1.856 -4.179 157 HD12 LEU 20 HD12 LEU 20 5.165 1.700 -4.198 158 HD13 LEU 20 HD13 LEU 20 6.074 1.832 -5.725 159 HD21 LEU 20 HD21 LEU 20 7.070 -0.068 -2.773 160 HD22 LEU 20 HD22 LEU 20 6.576 -1.658 -3.316 161 HD23 LEU 20 HD23 LEU 20 5.340 -0.474 -2.834 162 H GLN 21 H GLN 21 4.383 -2.419 -8.070 163 HA GLN 21 HA GLN 21 1.563 -2.676 -7.862 164 HB2 GLN 21 HB2 GLN 21 3.619 -3.383 -9.996 165 HB3 GLN 21 HB3 GLN 21 1.901 -3.650 -10.251 166 HG2 GLN 21 HG2 GLN 21 2.957 -0.914 -9.457 167 HG3 GLN 21 HG3 GLN 21 2.941 -1.471 -11.127 168 HE21 GLN 21 HE21 GLN 21 1.521 0.385 -11.508 169 HE22 GLN 21 HE22 GLN 21 -0.184 0.283 -11.156 170 H ASN 22 H ASN 22 4.149 -5.149 -8.208 171 HA ASN 22 HA ASN 22 2.321 -7.337 -8.378 172 HB2 ASN 22 HB2 ASN 22 4.237 -8.656 -8.509 173 HB3 ASN 22 HB3 ASN 22 4.953 -7.090 -8.918 174 HD21 ASN 22 HD21 ASN 22 6.024 -9.656 -7.425 175 HD22 ASN 22 HD22 ASN 22 6.622 -8.958 -5.908 176 H HIS 23 H HIS 23 3.583 -5.709 -5.611 177 HA HIS 23 HA HIS 23 2.975 -7.765 -3.689 178 HB2 HIS 23 HB2 HIS 23 4.426 -5.424 -3.712 179 HB3 HIS 23 HB3 HIS 23 3.053 -4.939 -2.728 180 HD2 HIS 23 HD2 HIS 23 2.784 -6.212 -0.335 181 HE1 HIS 23 HE1 HIS 23 6.462 -8.356 -0.477 182 HE2 HIS 23 HE2 HIS 23 4.470 -7.729 1.003 183 H PHE 24 H PHE 24 1.451 -4.582 -4.263 184 HA PHE 24 HA PHE 24 -0.982 -5.370 -2.881 185 HB2 PHE 24 HB2 PHE 24 -0.239 -2.811 -4.311 186 HB3 PHE 24 HB3 PHE 24 -1.673 -3.045 -3.313 187 HD1 PHE 24 HD2 PHE 24 -1.327 -3.887 -0.864 188 HD2 PHE 24 HD1 PHE 24 1.794 -2.105 -3.253 189 HE1 PHE 24 HE2 PHE 24 0.021 -3.453 1.195 190 HE2 PHE 24 HE1 PHE 24 3.093 -1.637 -1.209 191 HZ PHE 24 HZ PHE 24 2.234 -2.352 1.016 192 H LYS 25 H LYS 25 -0.116 -6.254 -5.923 193 HA LYS 25 HA LYS 25 -2.130 -5.647 -7.607 194 HB2 LYS 25 HB2 LYS 25 0.068 -7.306 -7.596 195 HB3 LYS 25 HB3 LYS 25 -1.191 -8.487 -7.661 196 HG2 LYS 25 HG2 LYS 25 -2.180 -7.272 -9.593 197 HG3 LYS 25 HG3 LYS 25 -0.827 -6.135 -9.551 198 HD2 LYS 25 HD2 LYS 25 0.779 -7.980 -9.877 199 HD3 LYS 25 HD3 LYS 25 -0.534 -9.153 -9.962 200 HE2 LYS 25 HE2 LYS 25 -1.316 -8.370 -12.029 201 HE3 LYS 25 HE3 LYS 25 -0.510 -6.800 -11.846 202 HZ1 LYS 25 HZ1 LYS 25 1.587 -7.882 -12.113 203 HZ2 LYS 25 HZ2 LYS 25 0.639 -8.149 -13.425 204 HZ3 LYS 25 HZ3 LYS 25 0.901 -9.359 -12.352 205 H ASN 26 H ASN 26 -2.216 -8.409 -5.257 206 HA ASN 26 HA ASN 26 -4.850 -9.254 -5.839 207 HB2 ASN 26 HB2 ASN 26 -3.251 -10.585 -4.533 208 HB3 ASN 26 HB3 ASN 26 -3.288 -9.394 -3.230 209 HD21 ASN 26 HD21 ASN 26 -3.922 -11.313 -1.810 210 HD22 ASN 26 HD22 ASN 26 -5.630 -11.700 -1.774 211 H SER 27 H SER 27 -3.771 -6.774 -3.415 212 HA SER 27 HA SER 27 -6.431 -6.321 -2.421 213 HB2 SER 27 HB2 SER 27 -5.211 -4.289 -1.386 214 HB3 SER 27 HB3 SER 27 -4.744 -5.894 -0.900 215 HG SER 27 HG SER 27 -3.404 -4.618 -3.029 216 H SER 28 H SER 28 -4.879 -5.269 -5.304 217 HA SER 28 HA SER 28 -5.334 -3.785 -6.913 218 HB2 SER 28 HB2 SER 28 -8.189 -4.145 -6.051 219 HB3 SER 28 HB3 SER 28 -7.607 -3.742 -7.673 220 HG SER 28 HG SER 28 -7.040 -5.778 -7.987 221 HA PRO 29 HA PRO 29 -5.826 0.087 -4.279 222 HB2 PRO 29 HB2 PRO 29 -3.505 1.304 -5.072 223 HB3 PRO 29 HB3 PRO 29 -3.574 0.150 -3.714 224 HG2 PRO 29 HG2 PRO 29 -2.833 -0.396 -6.605 225 HG3 PRO 29 HG3 PRO 29 -1.929 -0.894 -5.149 226 HD2 PRO 29 HD2 PRO 29 -3.571 -2.606 -6.414 227 HD3 PRO 29 HD3 PRO 29 -3.544 -2.558 -4.625 228 H ASP 30 H ASP 30 -5.991 2.281 -5.073 229 HA ASP 30 HA ASP 30 -6.986 2.448 -7.869 230 HB2 ASP 30 HB2 ASP 30 -8.588 3.131 -6.188 231 HB3 ASP 30 HB3 ASP 30 -7.380 4.107 -5.350 232 H GLN 31 H GLN 31 -4.987 4.080 -5.431 233 HA GLN 31 HA GLN 31 -3.506 5.506 -7.596 234 HB2 GLN 31 HB2 GLN 31 -5.048 6.668 -5.863 235 HB3 GLN 31 HB3 GLN 31 -3.732 6.404 -4.725 236 HG2 GLN 31 HG2 GLN 31 -3.555 7.974 -7.328 237 HG3 GLN 31 HG3 GLN 31 -3.898 8.684 -5.758 238 HE21 GLN 31 HE21 GLN 31 -2.198 8.212 -3.955 239 HE22 GLN 31 HE22 GLN 31 -0.536 8.130 -4.480 240 H ILE 32 H ILE 32 -1.156 5.670 -7.394 241 HA ILE 32 HA ILE 32 0.211 4.106 -5.323 242 HB ILE 32 HB ILE 32 0.449 3.496 -8.300 243 HG12 ILE 32 HG12 ILE 32 -0.383 1.638 -6.022 244 HG13 ILE 32 HG13 ILE 32 -1.492 2.367 -7.186 245 HG21 ILE 32 HG21 ILE 32 2.241 1.973 -7.819 246 HG22 ILE 32 HG22 ILE 32 2.680 3.479 -7.037 247 HG23 ILE 32 HG23 ILE 32 2.023 2.147 -6.072 248 HD11 ILE 32 HD11 ILE 32 -1.065 0.119 -7.862 249 HD12 ILE 32 HD12 ILE 32 -0.397 1.256 -9.041 250 HD13 ILE 32 HD13 ILE 32 0.676 0.391 -7.911 251 H ARG 33 H ARG 33 1.624 5.673 -4.611 252 HA ARG 33 HA ARG 33 3.220 7.236 -6.558 253 HB2 ARG 33 HB2 ARG 33 1.012 8.320 -5.474 254 HB3 ARG 33 HB3 ARG 33 2.077 8.613 -4.126 255 HG2 ARG 33 HG2 ARG 33 3.644 9.779 -5.721 256 HG3 ARG 33 HG3 ARG 33 2.485 9.439 -7.027 257 HD2 ARG 33 HD2 ARG 33 0.774 10.769 -5.997 258 HD3 ARG 33 HD3 ARG 33 1.659 10.849 -4.476 259 HE ARG 33 HE ARG 33 2.166 12.423 -6.932 260 HH11 ARG 33 HH11 ARG 33 3.554 11.537 -3.764 261 HH12 ARG 33 HH12 ARG 33 4.230 13.112 -3.499 262 HH21 ARG 33 HH21 ARG 33 3.113 14.385 -6.634 263 HH22 ARG 33 HH22 ARG 33 4.143 14.723 -5.280 264 H LEU 34 H LEU 34 5.209 6.318 -6.058 265 HA LEU 34 HA LEU 34 6.009 5.714 -3.287 266 HB2 LEU 34 HB2 LEU 34 6.382 4.103 -5.053 267 HB3 LEU 34 HB3 LEU 34 7.288 5.252 -6.008 268 HG LEU 34 HG LEU 34 8.608 3.341 -4.786 269 HD11 LEU 34 HD11 LEU 34 9.712 5.207 -5.867 270 HD12 LEU 34 HD12 LEU 34 10.515 4.844 -4.340 271 HD13 LEU 34 HD13 LEU 34 9.485 6.256 -4.473 272 HD21 LEU 34 HD21 LEU 34 7.505 3.596 -2.593 273 HD22 LEU 34 HD22 LEU 34 8.279 5.178 -2.380 274 HD23 LEU 34 HD23 LEU 34 9.262 3.734 -2.515 275 H ARG 35 H ARG 35 7.287 7.016 -2.046 276 HA ARG 35 HA ARG 35 8.797 9.242 -3.316 277 HB2 ARG 35 HB2 ARG 35 6.846 9.252 -1.048 278 HB3 ARG 35 HB3 ARG 35 8.330 10.143 -0.763 279 HG2 ARG 35 HG2 ARG 35 6.745 10.597 -3.304 280 HG3 ARG 35 HG3 ARG 35 6.375 11.438 -1.785 281 HD2 ARG 35 HD2 ARG 35 8.654 12.297 -1.666 282 HD3 ARG 35 HD3 ARG 35 9.093 11.424 -3.149 283 HE ARG 35 HE ARG 35 6.854 13.246 -3.481 284 HH11 ARG 35 HH11 ARG 35 10.444 13.046 -3.429 285 HH12 ARG 35 HH12 ARG 35 10.620 14.704 -3.902 286 HH21 ARG 35 HH21 ARG 35 7.205 15.290 -4.632 287 HH22 ARG 35 HH22 ARG 35 8.817 15.876 -4.760 288 H ALA 36 H ALA 36 10.611 7.861 -3.509 289 HA ALA 36 HA ALA 36 11.687 6.266 -1.465 290 HB1 ALA 36 HB1 ALA 36 13.781 6.374 -2.746 291 HB2 ALA 36 HB2 ALA 36 12.394 6.139 -3.823 292 HB3 ALA 36 HB3 ALA 36 13.149 7.736 -3.681 293 H ASP 37 H ASP 37 11.776 9.731 -1.807 294 HA ASP 37 HA ASP 37 13.958 10.640 -0.438 295 HB2 ASP 37 HB2 ASP 37 11.069 11.597 -0.370 296 HB3 ASP 37 HB3 ASP 37 12.440 12.578 0.177 297 H LYS 38 H LYS 38 11.183 9.012 0.933 298 HA LYS 38 HA LYS 38 12.361 9.030 3.634 299 HB2 LYS 38 HB2 LYS 38 9.633 9.993 2.838 300 HB3 LYS 38 HB3 LYS 38 9.781 9.146 4.365 301 HG2 LYS 38 HG2 LYS 38 11.528 11.533 3.686 302 HG3 LYS 38 HG3 LYS 38 9.946 11.626 4.456 303 HD2 LYS 38 HD2 LYS 38 10.801 10.037 6.258 304 HD3 LYS 38 HD3 LYS 38 12.429 10.220 5.560 305 HE2 LYS 38 HE2 LYS 38 12.234 12.695 5.865 306 HE3 LYS 38 HE3 LYS 38 10.624 12.476 6.534 307 HZ1 LYS 38 HZ1 LYS 38 13.176 11.858 7.815 308 HZ2 LYS 38 HZ2 LYS 38 11.856 10.993 8.242 309 HZ3 LYS 38 HZ3 LYS 38 11.860 12.622 8.384 310 H GLY 39 H GLY 39 11.799 7.209 1.090 311 HA2 GLY 39 HA2 GLY 39 11.370 5.003 0.697 312 HA3 GLY 39 HA3 GLY 39 11.804 4.755 2.394 313 H ILE 40 H ILE 40 8.965 6.652 1.214 314 HA ILE 40 HA ILE 40 7.145 4.609 2.224 315 HB ILE 40 HB ILE 40 5.700 6.683 2.897 316 HG12 ILE 40 HG12 ILE 40 7.050 8.568 3.853 317 HG13 ILE 40 HG13 ILE 40 8.429 7.917 2.965 318 HG21 ILE 40 HG21 ILE 40 6.902 6.801 5.177 319 HG22 ILE 40 HG22 ILE 40 6.316 5.253 4.625 320 HG23 ILE 40 HG23 ILE 40 8.062 5.645 4.490 321 HD11 ILE 40 HD11 ILE 40 7.263 9.868 1.901 322 HD12 ILE 40 HD12 ILE 40 7.405 8.443 0.878 323 HD13 ILE 40 HD13 ILE 40 5.846 8.821 1.655 324 H ALA 41 H ALA 41 4.874 5.160 1.409 325 HA ALA 41 HA ALA 41 4.782 6.500 -1.165 326 HB1 ALA 41 HB1 ALA 41 4.106 4.570 -2.418 327 HB2 ALA 41 HB2 ALA 41 5.588 4.088 -1.594 328 HB3 ALA 41 HB3 ALA 41 4.013 3.551 -0.965 329 H PHE 42 H PHE 42 2.471 6.236 -1.972 330 HA PHE 42 HA PHE 42 0.525 6.064 0.287 331 HB2 PHE 42 HB2 PHE 42 0.481 8.141 -1.978 332 HB3 PHE 42 HB3 PHE 42 -0.706 7.980 -0.680 333 HD1 PHE 42 HD2 PHE 42 2.952 8.743 -1.274 334 HD2 PHE 42 HD1 PHE 42 -0.483 9.230 1.261 335 HE1 PHE 42 HE2 PHE 42 4.287 10.218 0.231 336 HE2 PHE 42 HE1 PHE 42 0.814 10.667 2.778 337 HZ PHE 42 HZ PHE 42 3.213 11.160 2.288 338 H LEU 43 H LEU 43 -1.299 4.931 -0.253 339 HA LEU 43 HA LEU 43 -1.770 4.183 -3.046 340 HB2 LEU 43 HB2 LEU 43 -1.609 2.182 -0.757 341 HB3 LEU 43 HB3 LEU 43 -2.307 1.887 -2.335 342 HG LEU 43 HG LEU 43 0.107 2.724 -3.145 343 HD11 LEU 43 HD11 LEU 43 1.010 3.049 -0.828 344 HD12 LEU 43 HD12 LEU 43 1.881 1.763 -1.687 345 HD13 LEU 43 HD13 LEU 43 0.643 1.349 -0.483 346 HD21 LEU 43 HD21 LEU 43 0.751 0.336 -3.308 347 HD22 LEU 43 HD22 LEU 43 -0.921 0.648 -3.799 348 HD23 LEU 43 HD23 LEU 43 -0.581 -0.079 -2.209 349 H GLU 44 H GLU 44 -3.738 4.989 -3.337 350 HA GLU 44 HA GLU 44 -5.621 5.243 -1.049 351 HB2 GLU 44 HB2 GLU 44 -5.942 6.215 -3.915 352 HB3 GLU 44 HB3 GLU 44 -7.031 6.529 -2.571 353 HG2 GLU 44 HG2 GLU 44 -5.358 7.833 -1.402 354 HG3 GLU 44 HG3 GLU 44 -4.142 7.473 -2.623 355 H PHE 45 H PHE 45 -7.760 4.290 -1.272 356 HA PHE 45 HA PHE 45 -8.117 2.204 -3.349 357 HB2 PHE 45 HB2 PHE 45 -8.271 1.861 -0.322 358 HB3 PHE 45 HB3 PHE 45 -9.009 0.762 -1.475 359 HD1 PHE 45 HD2 PHE 45 -5.615 2.215 -0.623 360 HD2 PHE 45 HD1 PHE 45 -7.880 -1.128 -2.140 361 HE1 PHE 45 HE2 PHE 45 -3.579 0.818 -0.608 362 HE2 PHE 45 HE1 PHE 45 -5.902 -2.529 -1.981 363 HZ PHE 45 HZ PHE 45 -3.725 -1.608 -1.185 364 H ASP 46 H ASP 46 -9.983 2.756 -4.315 365 HA ASP 46 HA ASP 46 -11.836 4.557 -3.138 366 HB2 ASP 46 HB2 ASP 46 -11.473 4.424 -5.576 367 HB3 ASP 46 HB3 ASP 46 -12.209 2.823 -5.607 368 H ALA 47 H ALA 47 -13.129 4.086 -1.543 369 HA ALA 47 HA ALA 47 -13.979 1.411 -0.842 370 HB1 ALA 47 HB1 ALA 47 -15.143 4.001 0.218 371 HB2 ALA 47 HB2 ALA 47 -15.053 2.425 1.017 372 HB3 ALA 47 HB3 ALA 47 -13.571 3.365 0.768 373 H ASP 48 H ASP 48 -15.315 4.095 -2.695 374 HA ASP 48 HA ASP 48 -18.033 3.180 -2.759 375 HB2 ASP 48 HB2 ASP 48 -17.268 5.496 -3.264 376 HB3 ASP 48 HB3 ASP 48 -16.541 4.918 -4.763 377 H LYS 49 H LYS 49 -15.173 2.109 -4.436 378 HA LYS 49 HA LYS 49 -16.351 1.018 -6.764 379 HB2 LYS 49 HB2 LYS 49 -13.828 1.325 -5.930 380 HB3 LYS 49 HB3 LYS 49 -14.004 -0.344 -5.417 381 HG2 LYS 49 HG2 LYS 49 -14.299 0.814 -8.223 382 HG3 LYS 49 HG3 LYS 49 -12.941 -0.117 -7.607 383 HD2 LYS 49 HD2 LYS 49 -15.716 -1.148 -8.247 384 HD3 LYS 49 HD3 LYS 49 -14.206 -1.510 -9.083 385 HE2 LYS 49 HE2 LYS 49 -13.347 -2.639 -7.026 386 HE3 LYS 49 HE3 LYS 49 -14.862 -2.279 -6.209 387 HZ1 LYS 49 HZ1 LYS 49 -14.903 -4.486 -6.984 388 HZ2 LYS 49 HZ2 LYS 49 -14.512 -4.058 -8.522 389 HZ3 LYS 49 HZ3 LYS 49 -15.995 -3.653 -7.887 390 H ASP 50 H ASP 50 -16.066 -0.236 -3.398 391 HA ASP 50 HA ASP 50 -18.188 -2.158 -3.916 392 HB2 ASP 50 HB2 ASP 50 -16.210 -3.405 -4.719 393 HB3 ASP 50 HB3 ASP 50 -15.518 -3.294 -3.092 394 H ARG 51 H ARG 51 -19.359 -1.354 -2.287 395 HA ARG 51 HA ARG 51 -18.548 -0.414 0.244 396 HB2 ARG 51 HB2 ARG 51 -21.077 -1.973 -0.558 397 HB3 ARG 51 HB3 ARG 51 -20.836 -1.373 1.053 398 HG2 ARG 51 HG2 ARG 51 -22.376 0.009 -0.001 399 HG3 ARG 51 HG3 ARG 51 -20.904 0.944 0.287 400 HD2 ARG 51 HD2 ARG 51 -20.321 0.842 -2.045 401 HD3 ARG 51 HD3 ARG 51 -21.507 -0.440 -2.342 402 HE ARG 51 HE ARG 51 -23.223 1.016 -2.491 403 HH11 ARG 51 HH11 ARG 51 -20.438 2.997 -1.573 404 HH12 ARG 51 HH12 ARG 51 -20.662 4.111 -2.906 405 HH21 ARG 51 HH21 ARG 51 -23.849 2.761 -3.736 406 HH22 ARG 51 HH22 ARG 51 -22.744 4.033 -4.066 407 H THR 52 H THR 52 -19.017 -3.853 -0.706 408 HA THR 52 HA THR 52 -18.233 -4.524 2.080 409 HB THR 52 HB THR 52 -19.732 -6.486 0.417 410 HG1 THR 52 HG1 THR 52 -21.070 -4.529 1.925 411 HG21 THR 52 HG21 THR 52 -20.000 -5.554 3.322 412 HG22 THR 52 HG22 THR 52 -18.942 -6.874 2.833 413 HG23 THR 52 HG23 THR 52 -20.702 -7.029 2.602 414 H GLY 53 H GLY 53 -16.598 -4.079 -0.538 415 HA2 GLY 53 HA2 GLY 53 -14.928 -6.563 -0.300 416 HA3 GLY 53 HA3 GLY 53 -15.069 -5.585 -1.748 417 H ILE 54 H ILE 54 -14.973 -3.001 -0.085 418 HA ILE 54 HA ILE 54 -12.236 -2.499 -0.311 419 HB ILE 54 HB ILE 54 -14.003 -0.787 -0.280 420 HG12 ILE 54 HG12 ILE 54 -12.846 0.901 1.288 421 HG13 ILE 54 HG13 ILE 54 -11.842 -0.402 1.857 422 HG21 ILE 54 HG21 ILE 54 -15.513 -1.514 1.350 423 HG22 ILE 54 HG22 ILE 54 -14.308 -1.250 2.653 424 HG23 ILE 54 HG23 ILE 54 -14.978 0.108 1.745 425 HD11 ILE 54 HD11 ILE 54 -11.006 -0.713 -0.514 426 HD12 ILE 54 HD12 ILE 54 -11.982 0.671 -0.999 427 HD13 ILE 54 HD13 ILE 54 -10.674 0.896 0.177 428 H GLN 55 H GLN 55 -14.043 -3.788 2.392 429 HA GLN 55 HA GLN 55 -12.176 -3.571 4.483 430 HB2 GLN 55 HB2 GLN 55 -14.661 -4.841 4.168 431 HB3 GLN 55 HB3 GLN 55 -13.622 -6.195 4.333 432 HG2 GLN 55 HG2 GLN 55 -14.514 -4.239 6.323 433 HG3 GLN 55 HG3 GLN 55 -14.160 -5.959 6.488 434 HE21 GLN 55 HE21 GLN 55 -11.519 -6.402 6.238 435 HE22 GLN 55 HE22 GLN 55 -10.618 -5.308 7.238 436 H ARG 56 H ARG 56 -12.670 -6.502 2.387 437 HA ARG 56 HA ARG 56 -10.327 -7.753 3.311 438 HB2 ARG 56 HB2 ARG 56 -12.054 -8.131 0.838 439 HB3 ARG 56 HB3 ARG 56 -10.556 -9.062 1.006 440 HG2 ARG 56 HG2 ARG 56 -12.613 -8.960 3.242 441 HG3 ARG 56 HG3 ARG 56 -12.705 -10.127 1.920 442 HD2 ARG 56 HD2 ARG 56 -10.646 -11.154 2.512 443 HD3 ARG 56 HD3 ARG 56 -10.204 -9.844 3.605 444 HE ARG 56 HE ARG 56 -11.425 -10.716 5.265 445 HH11 ARG 56 HH11 ARG 56 -12.523 -12.398 2.306 446 HH12 ARG 56 HH12 ARG 56 -13.367 -13.618 3.199 447 HH21 ARG 56 HH21 ARG 56 -12.689 -12.106 6.361 448 HH22 ARG 56 HH22 ARG 56 -13.561 -13.411 5.617 449 H ARG 57 H ARG 57 -10.747 -5.446 0.633 450 HA ARG 57 HA ARG 57 -8.146 -5.859 -0.503 451 HB2 ARG 57 HB2 ARG 57 -9.972 -3.424 -0.380 452 HB3 ARG 57 HB3 ARG 57 -8.402 -3.423 -1.216 453 HG2 ARG 57 HG2 ARG 57 -9.171 -5.306 -2.642 454 HG3 ARG 57 HG3 ARG 57 -10.758 -5.274 -1.853 455 HD2 ARG 57 HD2 ARG 57 -11.309 -3.159 -2.724 456 HD3 ARG 57 HD3 ARG 57 -9.623 -2.722 -3.002 457 HE ARG 57 HE ARG 57 -10.340 -4.996 -4.588 458 HH11 ARG 57 HH11 ARG 57 -10.444 -1.448 -4.516 459 HH12 ARG 57 HH12 ARG 57 -10.612 -1.266 -6.227 460 HH21 ARG 57 HH21 ARG 57 -10.907 -4.772 -6.813 461 HH22 ARG 57 HH22 ARG 57 -10.837 -3.207 -7.543 462 H MET 58 H MET 58 -9.255 -3.762 2.239 463 HA MET 58 HA MET 58 -6.646 -2.708 2.686 464 HB2 MET 58 HB2 MET 58 -9.306 -2.595 4.074 465 HB3 MET 58 HB3 MET 58 -7.925 -2.622 5.173 466 HG2 MET 58 HG2 MET 58 -6.869 -0.811 3.869 467 HG3 MET 58 HG3 MET 58 -8.365 -0.624 2.946 468 HE1 MET 58 HE1 MET 58 -10.745 -0.521 4.485 469 HE2 MET 58 HE2 MET 58 -10.798 1.117 5.180 470 HE3 MET 58 HE3 MET 58 -10.208 0.875 3.521 471 H ASP 59 H ASP 59 -8.451 -5.498 4.155 472 HA ASP 59 HA ASP 59 -6.602 -6.307 6.081 473 HB2 ASP 59 HB2 ASP 59 -8.281 -8.021 4.231 474 HB3 ASP 59 HB3 ASP 59 -7.252 -8.709 5.458 475 H ILE 60 H ILE 60 -6.710 -7.274 2.655 476 HA ILE 60 HA ILE 60 -4.371 -8.863 2.634 477 HB ILE 60 HB ILE 60 -5.906 -7.347 0.470 478 HG12 ILE 60 HG12 ILE 60 -5.834 -10.360 0.877 479 HG13 ILE 60 HG13 ILE 60 -6.960 -9.357 1.778 480 HG21 ILE 60 HG21 ILE 60 -3.746 -9.451 -0.000 481 HG22 ILE 60 HG22 ILE 60 -4.809 -8.736 -1.240 482 HG23 ILE 60 HG23 ILE 60 -3.649 -7.726 -0.417 483 HD11 ILE 60 HD11 ILE 60 -8.120 -10.211 -0.136 484 HD12 ILE 60 HD12 ILE 60 -7.889 -8.475 -0.387 485 HD13 ILE 60 HD13 ILE 60 -6.872 -9.638 -1.251 486 H ALA 61 H ALA 61 -4.752 -5.347 2.191 487 HA ALA 61 HA ALA 61 -1.974 -4.998 1.394 488 HB1 ALA 61 HB1 ALA 61 -3.999 -2.980 2.471 489 HB2 ALA 61 HB2 ALA 61 -2.449 -2.606 1.693 490 HB3 ALA 61 HB3 ALA 61 -3.744 -3.381 0.754 491 H LEU 62 H LEU 62 -3.845 -4.749 4.412 492 HA LEU 62 HA LEU 62 -1.748 -3.753 6.101 493 HB2 LEU 62 HB2 LEU 62 -4.343 -5.244 6.626 494 HB3 LEU 62 HB3 LEU 62 -3.280 -4.742 7.927 495 HG LEU 62 HG LEU 62 -4.440 -2.777 5.902 496 HD11 LEU 62 HD11 LEU 62 -6.264 -3.923 7.119 497 HD12 LEU 62 HD12 LEU 62 -6.135 -2.228 7.588 498 HD13 LEU 62 HD13 LEU 62 -5.510 -3.497 8.670 499 HD21 LEU 62 HD21 LEU 62 -3.206 -2.340 8.658 500 HD22 LEU 62 HD22 LEU 62 -3.948 -1.102 7.645 501 HD23 LEU 62 HD23 LEU 62 -2.467 -1.911 7.107 502 H LEU 63 H LEU 63 -2.645 -6.990 5.081 503 HA LEU 63 HA LEU 63 -1.115 -8.379 7.064 504 HB2 LEU 63 HB2 LEU 63 -2.284 -9.071 4.351 505 HB3 LEU 63 HB3 LEU 63 -1.206 -10.220 5.112 506 HG LEU 63 HG LEU 63 -3.596 -9.097 6.618 507 HD11 LEU 63 HD11 LEU 63 -4.487 -10.102 4.585 508 HD12 LEU 63 HD12 LEU 63 -4.827 -11.149 5.965 509 HD13 LEU 63 HD13 LEU 63 -3.511 -11.566 4.838 510 HD21 LEU 63 HD21 LEU 63 -3.366 -11.096 7.980 511 HD22 LEU 63 HD22 LEU 63 -1.807 -10.267 7.933 512 HD23 LEU 63 HD23 LEU 63 -2.062 -11.711 6.940 513 H GLN 64 H GLN 64 -0.070 -6.405 4.477 514 HA GLN 64 HA GLN 64 2.475 -7.813 4.130 515 HB2 GLN 64 HB2 GLN 64 1.719 -5.155 2.936 516 HB3 GLN 64 HB3 GLN 64 2.948 -6.300 2.400 517 HG2 GLN 64 HG2 GLN 64 -0.060 -6.601 2.220 518 HG3 GLN 64 HG3 GLN 64 1.046 -6.310 0.904 519 HE21 GLN 64 HE21 GLN 64 -0.706 -8.708 2.500 520 HE22 GLN 64 HE22 GLN 64 0.236 -10.109 1.998 521 H HIS 65 H HIS 65 1.385 -6.162 6.693 522 HA HIS 65 HA HIS 65 3.480 -4.201 7.129 523 HB2 HIS 65 HB2 HIS 65 1.202 -4.094 8.183 524 HB3 HIS 65 HB3 HIS 65 1.593 -5.526 9.119 525 HD2 HIS 65 HD2 HIS 65 1.122 -3.943 11.293 526 HE1 HIS 65 HE1 HIS 65 4.692 -1.655 10.958 527 HE2 HIS 65 HE2 HIS 65 2.742 -2.238 12.482 528 H GLY 66 H GLY 66 5.510 -4.859 7.461 529 HA2 GLY 66 HA2 GLY 66 7.243 -5.876 8.550 530 HA3 GLY 66 HA3 GLY 66 6.181 -7.095 9.245 531 H THR 67 H THR 67 5.621 -6.754 5.764 532 HA THR 67 HA THR 67 6.972 -9.336 5.473 533 HB THR 67 HB THR 67 6.239 -9.170 3.101 534 HG1 THR 67 HG1 THR 67 5.952 -7.047 2.797 535 HG21 THR 67 HG21 THR 67 3.877 -9.646 3.604 536 HG22 THR 67 HG22 THR 67 4.086 -8.945 5.231 537 HG23 THR 67 HG23 THR 67 4.960 -10.420 4.771 538 H LEU 68 H LEU 68 8.496 -9.608 3.705 539 HA LEU 68 HA LEU 68 10.621 -7.630 3.802 540 HB2 LEU 68 HB2 LEU 68 10.470 -10.596 3.088 541 HB3 LEU 68 HB3 LEU 68 11.918 -9.646 2.971 542 HG LEU 68 HG LEU 68 10.381 -10.513 5.434 543 HD11 LEU 68 HD11 LEU 68 12.591 -11.104 6.306 544 HD12 LEU 68 HD12 LEU 68 13.351 -10.546 4.783 545 HD13 LEU 68 HD13 LEU 68 12.242 -11.942 4.777 546 HD21 LEU 68 HD21 LEU 68 12.319 -8.169 5.383 547 HD22 LEU 68 HD22 LEU 68 11.940 -9.096 6.832 548 HD23 LEU 68 HD23 LEU 68 10.644 -8.245 6.011 549 H LEU 69 H LEU 69 11.422 -6.698 1.959 550 HA LEU 69 HA LEU 69 10.347 -7.349 -0.703 551 HB2 LEU 69 HB2 LEU 69 8.842 -5.603 0.252 552 HB3 LEU 69 HB3 LEU 69 10.240 -4.610 0.648 553 HG LEU 69 HG LEU 69 10.757 -4.432 -1.814 554 HD11 LEU 69 HD11 LEU 69 9.789 -6.369 -2.806 555 HD12 LEU 69 HD12 LEU 69 8.735 -5.051 -3.326 556 HD13 LEU 69 HD13 LEU 69 8.217 -6.104 -2.018 557 HD21 LEU 69 HD21 LEU 69 8.010 -3.573 -0.862 558 HD22 LEU 69 HD22 LEU 69 8.768 -2.972 -2.314 559 HD23 LEU 69 HD23 LEU 69 9.524 -2.657 -0.734 560 H LYS 70 H LYS 70 12.143 -7.428 -1.982 561 HA LYS 70 HA LYS 70 14.361 -7.332 -2.582 562 HB2 LYS 70 HB2 LYS 70 13.884 -4.408 -2.235 563 HB3 LYS 70 HB3 LYS 70 15.104 -5.169 -3.236 564 HG2 LYS 70 HG2 LYS 70 12.944 -6.377 -4.283 565 HG3 LYS 70 HG3 LYS 70 12.130 -4.920 -3.723 566 HD2 LYS 70 HD2 LYS 70 14.666 -4.835 -5.402 567 HD3 LYS 70 HD3 LYS 70 13.121 -5.075 -6.140 568 HE2 LYS 70 HE2 LYS 70 12.339 -2.789 -5.279 569 HE3 LYS 70 HE3 LYS 70 13.944 -2.643 -4.543 570 HZ1 LYS 70 HZ1 LYS 70 14.853 -3.038 -6.851 571 HZ2 LYS 70 HZ2 LYS 70 14.111 -1.615 -6.671 572 HZ3 LYS 70 HZ3 LYS 70 13.337 -2.835 -7.439 573 H GLU 71 H GLU 71 14.360 -8.121 -0.060 574 HA GLU 71 HA GLU 71 15.556 -8.470 1.774 575 HB2 GLU 71 HB2 GLU 71 17.777 -7.216 0.159 576 HB3 GLU 71 HB3 GLU 71 17.987 -8.061 1.710 577 HG2 GLU 71 HG2 GLU 71 16.936 -10.085 0.828 578 HG3 GLU 71 HG3 GLU 71 16.652 -9.284 -0.715 579 H LYS 72 H LYS 72 13.970 -6.045 1.761 580 HA LYS 72 HA LYS 72 15.126 -4.819 4.215 581 HB2 LYS 72 HB2 LYS 72 13.655 -3.561 1.850 582 HB3 LYS 72 HB3 LYS 72 13.538 -2.836 3.446 583 HG2 LYS 72 HG2 LYS 72 16.230 -3.422 2.142 584 HG3 LYS 72 HG3 LYS 72 15.316 -1.923 1.874 585 HD2 LYS 72 HD2 LYS 72 15.328 -1.352 4.210 586 HD3 LYS 72 HD3 LYS 72 16.165 -2.874 4.630 587 HE2 LYS 72 HE2 LYS 72 18.113 -2.284 3.483 588 HE3 LYS 72 HE3 LYS 72 17.309 -0.996 2.561 589 HZ1 LYS 72 HZ1 LYS 72 17.787 -0.890 5.464 590 HZ2 LYS 72 HZ2 LYS 72 17.137 0.300 4.509 591 HZ3 LYS 72 HZ3 LYS 72 18.711 -0.108 4.328 592 H LYS 73 H LYS 73 13.417 -4.341 5.766 593 HA LYS 73 HA LYS 73 10.944 -6.102 5.392 594 HB2 LYS 73 HB2 LYS 73 12.415 -6.630 7.381 595 HB3 LYS 73 HB3 LYS 73 12.169 -4.993 7.997 596 HG2 LYS 73 HG2 LYS 73 9.942 -5.371 8.565 597 HG3 LYS 73 HG3 LYS 73 9.697 -6.505 7.250 598 HD2 LYS 73 HD2 LYS 73 9.549 -7.901 9.015 599 HD3 LYS 73 HD3 LYS 73 11.227 -8.161 8.585 600 HE2 LYS 73 HE2 LYS 73 10.045 -6.442 10.812 601 HE3 LYS 73 HE3 LYS 73 10.806 -8.037 10.967 602 HZ1 LYS 73 HZ1 LYS 73 12.890 -7.015 10.250 603 HZ2 LYS 73 HZ2 LYS 73 12.323 -6.366 11.631 604 HZ3 LYS 73 HZ3 LYS 73 12.167 -5.498 10.274 605 H ILE 74 H ILE 74 8.989 -4.894 5.320 606 HA ILE 74 HA ILE 74 9.265 -1.958 5.808 607 HB ILE 74 HB ILE 74 7.870 -1.584 3.904 608 HG12 ILE 74 HG12 ILE 74 7.892 -4.599 3.486 609 HG13 ILE 74 HG13 ILE 74 6.503 -3.607 3.909 610 HG21 ILE 74 HG21 ILE 74 10.405 -1.767 3.736 611 HG22 ILE 74 HG22 ILE 74 10.184 -3.413 3.093 612 HG23 ILE 74 HG23 ILE 74 9.557 -2.023 2.207 613 HD11 ILE 74 HD11 ILE 74 8.103 -3.419 1.333 614 HD12 ILE 74 HD12 ILE 74 6.516 -4.141 1.505 615 HD13 ILE 74 HD13 ILE 74 6.718 -2.387 1.764 616 H ASN 75 H ASN 75 7.294 -0.794 6.174 617 HA ASN 75 HA ASN 75 5.476 -2.316 8.004 618 HB2 ASN 75 HB2 ASN 75 5.011 -0.058 8.968 619 HB3 ASN 75 HB3 ASN 75 6.705 -0.531 9.188 620 HD21 ASN 75 HD21 ASN 75 4.412 1.535 7.251 621 HD22 ASN 75 HD22 ASN 75 5.682 2.575 6.649 622 H VAL 76 H VAL 76 3.264 -1.749 8.087 623 HA VAL 76 HA VAL 76 2.151 -0.125 5.932 624 HB VAL 76 HB VAL 76 1.300 -3.030 6.317 625 HG11 VAL 76 HG11 VAL 76 -0.100 -2.401 4.279 626 HG12 VAL 76 HG12 VAL 76 -0.574 -1.568 5.763 627 HG13 VAL 76 HG13 VAL 76 0.425 -0.738 4.554 628 HG21 VAL 76 HG21 VAL 76 2.756 -1.677 4.024 629 HG22 VAL 76 HG22 VAL 76 3.386 -2.989 5.046 630 HG23 VAL 76 HG23 VAL 76 2.017 -3.288 3.965 631 H GLU 77 H GLU 77 0.759 1.246 6.990 632 HA GLU 77 HA GLU 77 -0.992 0.190 9.093 633 HB2 GLU 77 HB2 GLU 77 -0.445 2.257 10.514 634 HB3 GLU 77 HB3 GLU 77 0.595 0.833 10.545 635 HG2 GLU 77 HG2 GLU 77 2.178 2.053 8.991 636 HG3 GLU 77 HG3 GLU 77 1.150 3.487 9.191 637 H LEU 78 H LEU 78 -2.497 2.192 9.823 638 HA LEU 78 HA LEU 78 -3.872 2.941 7.321 639 HB2 LEU 78 HB2 LEU 78 -4.628 2.953 10.259 640 HB3 LEU 78 HB3 LEU 78 -5.506 3.887 9.082 641 HG LEU 78 HG LEU 78 -5.489 1.579 7.696 642 HD11 LEU 78 HD11 LEU 78 -5.776 -0.329 9.148 643 HD12 LEU 78 HD12 LEU 78 -5.590 0.692 10.594 644 HD13 LEU 78 HD13 LEU 78 -4.209 0.419 9.509 645 HD21 LEU 78 HD21 LEU 78 -7.742 1.230 8.401 646 HD22 LEU 78 HD22 LEU 78 -7.441 2.960 8.332 647 HD23 LEU 78 HD23 LEU 78 -7.483 2.141 9.914 648 H THR 79 H THR 79 -4.480 5.053 6.779 649 HA THR 79 HA THR 79 -3.466 7.327 8.278 650 HB THR 79 HB THR 79 -1.500 6.884 7.022 651 HG1 THR 79 HG1 THR 79 -2.330 9.014 6.833 652 HG21 THR 79 HG21 THR 79 -1.470 6.489 4.585 653 HG22 THR 79 HG22 THR 79 -3.211 6.165 4.739 654 HG23 THR 79 HG23 THR 79 -2.074 5.168 5.600 655 H VAL 80 H VAL 80 -5.136 8.595 8.277 656 HA VAL 80 HA VAL 80 -6.549 9.893 6.526 657 HB VAL 80 HB VAL 80 -7.382 8.128 5.220 658 HG11 VAL 80 HG11 VAL 80 -7.266 6.220 6.871 659 HG12 VAL 80 HG12 VAL 80 -8.808 6.810 7.564 660 HG13 VAL 80 HG13 VAL 80 -8.706 6.288 5.874 661 HG21 VAL 80 HG21 VAL 80 -9.661 9.162 6.912 662 HG22 VAL 80 HG22 VAL 80 -8.881 9.991 5.548 663 HG23 VAL 80 HG23 VAL 80 -9.768 8.478 5.283 664 H GLY 81 H GLY 81 -7.678 7.617 8.961 665 HA2 GLY 81 HA2 GLY 81 -8.762 9.778 10.678 666 HA3 GLY 81 HA3 GLY 81 -9.003 8.026 10.846 667 H GLY 82 H GLY 82 -6.349 10.419 10.875 668 HA2 GLY 82 HA2 GLY 82 -4.785 10.791 12.619 669 HA3 GLY 82 HA3 GLY 82 -5.295 9.278 13.398 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -12.603 9.852 4.236 2 HA2 GLY 1 HA2 GLY 1 -15.553 9.690 4.478 3 HA3 GLY 1 HA3 GLY 1 -14.658 10.587 3.232 4 H ASN 2 H ASN 2 -15.274 9.502 1.347 5 HA ASN 2 HA ASN 2 -15.479 6.624 1.304 6 HB2 ASN 2 HB2 ASN 2 -16.136 6.744 -0.920 7 HB3 ASN 2 HB3 ASN 2 -16.914 8.134 -0.159 8 HD21 ASN 2 HD21 ASN 2 -14.604 7.141 -2.742 9 HD22 ASN 2 HD22 ASN 2 -14.263 8.748 -3.267 10 H ARG 3 H ARG 3 -12.641 8.201 1.484 11 HA ARG 3 HA ARG 3 -11.414 6.044 -0.132 12 HB2 ARG 3 HB2 ARG 3 -11.728 8.166 -1.562 13 HB3 ARG 3 HB3 ARG 3 -10.470 8.872 -0.547 14 HG2 ARG 3 HG2 ARG 3 -9.411 6.358 -1.283 15 HG3 ARG 3 HG3 ARG 3 -10.300 6.867 -2.722 16 HD2 ARG 3 HD2 ARG 3 -8.105 8.358 -1.252 17 HD3 ARG 3 HD3 ARG 3 -8.028 7.581 -2.854 18 HE ARG 3 HE ARG 3 -9.912 9.258 -3.428 19 HH11 ARG 3 HH11 ARG 3 -6.823 9.944 -1.807 20 HH12 ARG 3 HH12 ARG 3 -6.815 11.597 -2.351 21 HH21 ARG 3 HH21 ARG 3 -9.842 11.274 -4.132 22 HH22 ARG 3 HH22 ARG 3 -8.555 12.400 -3.711 23 H PHE 4 H PHE 4 -10.034 5.061 1.018 24 HA PHE 4 HA PHE 4 -8.727 6.343 3.364 25 HB2 PHE 4 HB2 PHE 4 -8.997 3.436 2.472 26 HB3 PHE 4 HB3 PHE 4 -8.233 3.976 3.963 27 HD1 PHE 4 HD1 PHE 4 -11.475 3.559 2.196 28 HD2 PHE 4 HD2 PHE 4 -9.537 4.507 5.918 29 HE1 PHE 4 HE1 PHE 4 -13.654 3.346 3.395 30 HE2 PHE 4 HE2 PHE 4 -11.719 4.288 7.103 31 HZ PHE 4 HZ PHE 4 -13.773 3.729 5.838 32 H ILE 5 H ILE 5 -6.443 5.642 3.692 33 HA ILE 5 HA ILE 5 -4.888 5.307 1.202 34 HB ILE 5 HB ILE 5 -4.587 7.508 3.293 35 HG12 ILE 5 HG12 ILE 5 -4.631 8.008 0.332 36 HG13 ILE 5 HG13 ILE 5 -6.166 7.696 1.094 37 HG21 ILE 5 HG21 ILE 5 -2.653 6.790 1.028 38 HG22 ILE 5 HG22 ILE 5 -2.591 8.286 1.978 39 HG23 ILE 5 HG23 ILE 5 -2.327 6.745 2.781 40 HD11 ILE 5 HD11 ILE 5 -5.908 9.493 2.650 41 HD12 ILE 5 HD12 ILE 5 -4.307 9.894 1.960 42 HD13 ILE 5 HD13 ILE 5 -5.776 10.056 0.971 43 H VAL 6 H VAL 6 -3.139 3.968 1.565 44 HA VAL 6 HA VAL 6 -2.844 2.865 4.323 45 HB VAL 6 HB VAL 6 -1.658 1.870 1.691 46 HG11 VAL 6 HG11 VAL 6 -2.084 0.387 4.332 47 HG12 VAL 6 HG12 VAL 6 -1.301 -0.235 2.866 48 HG13 VAL 6 HG13 VAL 6 -0.530 1.044 3.810 49 HG21 VAL 6 HG21 VAL 6 -4.204 1.011 3.140 50 HG22 VAL 6 HG22 VAL 6 -4.056 1.708 1.502 51 HG23 VAL 6 HG23 VAL 6 -3.434 0.091 1.832 52 H PHE 7 H PHE 7 -0.781 2.965 5.324 53 HA PHE 7 HA PHE 7 1.082 5.032 4.304 54 HB2 PHE 7 HB2 PHE 7 0.017 5.655 6.415 55 HB3 PHE 7 HB3 PHE 7 0.408 4.109 7.109 56 HD1 PHE 7 HD1 PHE 7 3.018 5.771 5.002 57 HD2 PHE 7 HD2 PHE 7 1.494 5.317 9.036 58 HE1 PHE 7 HE1 PHE 7 5.131 6.535 5.899 59 HE2 PHE 7 HE2 PHE 7 3.657 6.072 9.903 60 HZ PHE 7 HZ PHE 7 5.524 6.599 8.321 61 H VAL 8 H VAL 8 2.560 3.888 3.191 62 HA VAL 8 HA VAL 8 3.639 1.354 4.270 63 HB VAL 8 HB VAL 8 3.249 2.492 1.481 64 HG11 VAL 8 HG11 VAL 8 4.187 0.313 0.631 65 HG12 VAL 8 HG12 VAL 8 5.311 1.509 1.262 66 HG13 VAL 8 HG13 VAL 8 4.869 0.082 2.260 67 HG21 VAL 8 HG21 VAL 8 2.258 -0.063 2.796 68 HG22 VAL 8 HG22 VAL 8 1.271 1.375 2.471 69 HG23 VAL 8 HG23 VAL 8 1.911 0.434 1.130 70 H GLY 9 H GLY 9 5.778 1.602 5.145 71 HA2 GLY 9 HA2 GLY 9 7.521 3.600 3.908 72 HA3 GLY 9 HA3 GLY 9 7.225 3.844 5.597 73 H SER 10 H SER 10 9.716 3.558 5.210 74 HA SER 10 HA SER 10 11.636 2.515 5.623 75 HB2 SER 10 HB2 SER 10 9.676 0.713 6.927 76 HB3 SER 10 HB3 SER 10 11.220 -0.005 6.564 77 HG SER 10 HG SER 10 11.367 1.056 8.538 78 H LEU 11 H LEU 11 10.200 2.313 3.053 79 HA LEU 11 HA LEU 11 10.836 -0.098 1.754 80 HB2 LEU 11 HB2 LEU 11 10.229 2.702 0.775 81 HB3 LEU 11 HB3 LEU 11 10.716 1.468 -0.364 82 HG LEU 11 HG LEU 11 8.864 0.053 0.126 83 HD11 LEU 11 HD11 LEU 11 8.006 2.083 2.268 84 HD12 LEU 11 HD12 LEU 11 8.608 0.442 2.585 85 HD13 LEU 11 HD13 LEU 11 7.117 0.626 1.769 86 HD21 LEU 11 HD21 LEU 11 8.397 1.821 -1.439 87 HD22 LEU 11 HD22 LEU 11 7.952 2.947 -0.130 88 HD23 LEU 11 HD23 LEU 11 6.955 1.515 -0.479 89 HA PRO 12 HA PRO 12 15.124 0.080 0.926 90 HB2 PRO 12 HB2 PRO 12 15.293 -1.262 -1.503 91 HB3 PRO 12 HB3 PRO 12 14.972 -2.093 0.040 92 HG2 PRO 12 HG2 PRO 12 12.995 -1.193 -2.042 93 HG3 PRO 12 HG3 PRO 12 13.036 -2.742 -1.186 94 HD2 PRO 12 HD2 PRO 12 11.363 -0.801 -0.396 95 HD3 PRO 12 HD3 PRO 12 12.208 -1.823 0.805 96 H ARG 13 H ARG 13 16.638 1.267 -0.232 97 HA ARG 13 HA ARG 13 15.812 3.642 -1.551 98 HB2 ARG 13 HB2 ARG 13 17.911 3.349 -0.405 99 HB3 ARG 13 HB3 ARG 13 18.493 2.227 -1.640 100 HG2 ARG 13 HG2 ARG 13 18.881 3.901 -3.182 101 HG3 ARG 13 HG3 ARG 13 17.487 4.866 -2.670 102 HD2 ARG 13 HD2 ARG 13 18.546 5.657 -0.740 103 HD3 ARG 13 HD3 ARG 13 19.947 4.570 -0.934 104 HE ARG 13 HE ARG 13 19.824 6.068 -3.282 105 HH11 ARG 13 HH11 ARG 13 20.432 6.677 0.161 106 HH12 ARG 13 HH12 ARG 13 21.609 7.931 -0.125 107 HH21 ARG 13 HH21 ARG 13 21.213 7.885 -3.657 108 HH22 ARG 13 HH22 ARG 13 21.921 8.717 -2.329 109 H ASP 14 H ASP 14 16.723 0.455 -2.844 110 HA ASP 14 HA ASP 14 16.480 1.327 -5.626 111 HB2 ASP 14 HB2 ASP 14 18.022 -0.621 -4.336 112 HB3 ASP 14 HB3 ASP 14 16.888 -1.498 -5.347 113 H ILE 15 H ILE 15 14.011 0.990 -3.695 114 HA ILE 15 HA ILE 15 12.381 -1.075 -4.491 115 HB ILE 15 HB ILE 15 11.880 0.494 -2.706 116 HG12 ILE 15 HG12 ILE 15 9.460 0.814 -3.118 117 HG13 ILE 15 HG13 ILE 15 9.714 0.285 -4.801 118 HG21 ILE 15 HG21 ILE 15 11.122 2.695 -3.026 119 HG22 ILE 15 HG22 ILE 15 12.624 2.573 -3.903 120 HG23 ILE 15 HG23 ILE 15 11.099 2.517 -4.807 121 HD11 ILE 15 HD11 ILE 15 10.295 -1.371 -2.315 122 HD12 ILE 15 HD12 ILE 15 8.843 -1.492 -3.321 123 HD13 ILE 15 HD13 ILE 15 10.416 -1.926 -4.006 124 H THR 16 H THR 16 10.838 -1.505 -6.270 125 HA THR 16 HA THR 16 11.021 0.307 -8.579 126 HB THR 16 HB THR 16 10.824 -1.813 -9.895 127 HG1 THR 16 HG1 THR 16 11.007 -3.674 -9.019 128 HG21 THR 16 HG21 THR 16 13.403 -1.520 -8.336 129 HG22 THR 16 HG22 THR 16 12.956 -0.661 -9.820 130 HG23 THR 16 HG23 THR 16 13.191 -2.403 -9.861 131 H ALA 17 H ALA 17 9.114 0.505 -9.743 132 HA ALA 17 HA ALA 17 6.706 0.430 -8.245 133 HB1 ALA 17 HB1 ALA 17 7.063 1.948 -10.163 134 HB2 ALA 17 HB2 ALA 17 7.171 0.561 -11.273 135 HB3 ALA 17 HB3 ALA 17 5.645 0.922 -10.452 136 H VAL 18 H VAL 18 8.207 -1.964 -10.425 137 HA VAL 18 HA VAL 18 5.881 -3.582 -10.740 138 HB VAL 18 HB VAL 18 7.801 -3.887 -12.177 139 HG11 VAL 18 HG11 VAL 18 9.864 -4.906 -11.503 140 HG12 VAL 18 HG12 VAL 18 9.615 -3.469 -10.521 141 HG13 VAL 18 HG13 VAL 18 9.322 -5.077 -9.825 142 HG21 VAL 18 HG21 VAL 18 8.021 -6.346 -12.169 143 HG22 VAL 18 HG22 VAL 18 7.307 -6.413 -10.539 144 HG23 VAL 18 HG23 VAL 18 6.347 -5.851 -11.914 145 H GLU 19 H GLU 19 8.372 -3.522 -8.146 146 HA GLU 19 HA GLU 19 7.311 -5.852 -6.788 147 HB2 GLU 19 HB2 GLU 19 9.103 -3.519 -5.976 148 HB3 GLU 19 HB3 GLU 19 8.641 -4.762 -4.853 149 HG2 GLU 19 HG2 GLU 19 10.059 -5.393 -7.468 150 HG3 GLU 19 HG3 GLU 19 10.903 -4.971 -5.982 151 H LEU 20 H LEU 20 6.771 -2.320 -6.481 152 HA LEU 20 HA LEU 20 5.004 -2.545 -4.220 153 HB2 LEU 20 HB2 LEU 20 5.399 -0.414 -6.367 154 HB3 LEU 20 HB3 LEU 20 4.239 -0.211 -5.076 155 HG LEU 20 HG LEU 20 7.247 -0.529 -4.776 156 HD11 LEU 20 HD11 LEU 20 7.124 1.771 -3.956 157 HD12 LEU 20 HD12 LEU 20 5.357 1.787 -4.193 158 HD13 LEU 20 HD13 LEU 20 6.452 1.640 -5.590 159 HD21 LEU 20 HD21 LEU 20 6.879 0.030 -2.353 160 HD22 LEU 20 HD22 LEU 20 6.269 -1.560 -2.784 161 HD23 LEU 20 HD23 LEU 20 5.132 -0.210 -2.589 162 H GLN 21 H GLN 21 4.395 -2.584 -7.720 163 HA GLN 21 HA GLN 21 1.514 -2.535 -7.506 164 HB2 GLN 21 HB2 GLN 21 3.406 -3.505 -9.667 165 HB3 GLN 21 HB3 GLN 21 1.647 -3.474 -9.822 166 HG2 GLN 21 HG2 GLN 21 2.704 -0.869 -8.905 167 HG3 GLN 21 HG3 GLN 21 3.442 -1.400 -10.402 168 HE21 GLN 21 HE21 GLN 21 -0.104 -2.049 -9.524 169 HE22 GLN 21 HE22 GLN 21 -0.574 -1.321 -11.035 170 H ASN 22 H ASN 22 3.978 -5.105 -7.837 171 HA ASN 22 HA ASN 22 2.271 -7.314 -7.802 172 HB2 ASN 22 HB2 ASN 22 4.580 -7.400 -8.514 173 HB3 ASN 22 HB3 ASN 22 5.144 -7.036 -6.877 174 HD21 ASN 22 HD21 ASN 22 5.727 -8.807 -5.694 175 HD22 ASN 22 HD22 ASN 22 5.050 -10.397 -5.908 176 H HIS 23 H HIS 23 3.966 -5.843 -4.926 177 HA HIS 23 HA HIS 23 3.017 -7.794 -3.125 178 HB2 HIS 23 HB2 HIS 23 4.428 -5.238 -2.943 179 HB3 HIS 23 HB3 HIS 23 3.226 -5.381 -1.668 180 HD2 HIS 23 HD2 HIS 23 3.448 -7.611 -0.037 181 HE1 HIS 23 HE1 HIS 23 7.416 -8.636 -1.195 182 HE2 HIS 23 HE2 HIS 23 5.550 -9.158 0.453 183 H PHE 24 H PHE 24 1.285 -5.007 -4.417 184 HA PHE 24 HA PHE 24 -0.966 -5.634 -2.563 185 HB2 PHE 24 HB2 PHE 24 -0.375 -3.035 -3.908 186 HB3 PHE 24 HB3 PHE 24 -1.683 -3.360 -2.795 187 HD1 PHE 24 HD1 PHE 24 -0.836 -4.452 -0.446 188 HD2 PHE 24 HD2 PHE 24 1.570 -2.022 -3.047 189 HE1 PHE 24 HE1 PHE 24 0.516 -3.720 1.494 190 HE2 PHE 24 HE2 PHE 24 2.901 -1.245 -1.112 191 HZ PHE 24 HZ PHE 24 2.385 -2.108 1.178 192 H LYS 25 H LYS 25 -0.088 -6.528 -5.550 193 HA LYS 25 HA LYS 25 -2.112 -5.824 -7.244 194 HB2 LYS 25 HB2 LYS 25 0.104 -7.458 -7.270 195 HB3 LYS 25 HB3 LYS 25 -1.178 -8.660 -7.396 196 HG2 LYS 25 HG2 LYS 25 -2.074 -7.421 -9.303 197 HG3 LYS 25 HG3 LYS 25 -0.818 -6.182 -9.151 198 HD2 LYS 25 HD2 LYS 25 0.951 -7.790 -9.553 199 HD3 LYS 25 HD3 LYS 25 -0.177 -9.134 -9.614 200 HE2 LYS 25 HE2 LYS 25 -0.535 -6.811 -11.525 201 HE3 LYS 25 HE3 LYS 25 0.780 -7.959 -11.807 202 HZ1 LYS 25 HZ1 LYS 25 -1.188 -8.651 -12.976 203 HZ2 LYS 25 HZ2 LYS 25 -2.065 -8.723 -11.578 204 HZ3 LYS 25 HZ3 LYS 25 -0.795 -9.743 -11.819 205 H ASN 26 H ASN 26 -2.264 -8.191 -4.621 206 HA ASN 26 HA ASN 26 -4.872 -9.298 -5.492 207 HB2 ASN 26 HB2 ASN 26 -3.134 -9.697 -3.015 208 HB3 ASN 26 HB3 ASN 26 -4.810 -10.236 -3.075 209 HD21 ASN 26 HD21 ASN 26 -2.950 -10.372 -6.061 210 HD22 ASN 26 HD22 ASN 26 -2.971 -12.120 -6.122 211 H SER 27 H SER 27 -3.702 -6.740 -3.228 212 HA SER 27 HA SER 27 -6.279 -6.407 -1.984 213 HB2 SER 27 HB2 SER 27 -4.797 -4.108 -1.531 214 HB3 SER 27 HB3 SER 27 -4.876 -5.550 -0.519 215 HG SER 27 HG SER 27 -2.778 -4.882 -0.967 216 H SER 28 H SER 28 -4.627 -5.208 -4.852 217 HA SER 28 HA SER 28 -5.240 -3.999 -6.606 218 HB2 SER 28 HB2 SER 28 -8.069 -4.557 -5.740 219 HB3 SER 28 HB3 SER 28 -7.520 -4.073 -7.354 220 HG SER 28 HG SER 28 -7.766 -6.307 -7.292 221 HA PRO 29 HA PRO 29 -5.858 -0.119 -4.020 222 HB2 PRO 29 HB2 PRO 29 -3.464 1.065 -4.869 223 HB3 PRO 29 HB3 PRO 29 -3.695 0.167 -3.361 224 HG2 PRO 29 HG2 PRO 29 -2.440 -0.743 -5.906 225 HG3 PRO 29 HG3 PRO 29 -2.070 -1.239 -4.228 226 HD2 PRO 29 HD2 PRO 29 -3.489 -2.782 -5.990 227 HD3 PRO 29 HD3 PRO 29 -3.651 -2.869 -4.212 228 H ASP 30 H ASP 30 -5.983 2.129 -4.819 229 HA ASP 30 HA ASP 30 -7.061 2.255 -7.546 230 HB2 ASP 30 HB2 ASP 30 -8.366 3.163 -5.646 231 HB3 ASP 30 HB3 ASP 30 -7.029 4.237 -5.222 232 H GLN 31 H GLN 31 -4.574 3.654 -5.426 233 HA GLN 31 HA GLN 31 -3.160 4.612 -7.814 234 HB2 GLN 31 HB2 GLN 31 -4.562 6.434 -6.463 235 HB3 GLN 31 HB3 GLN 31 -3.198 6.346 -5.349 236 HG2 GLN 31 HG2 GLN 31 -2.733 8.167 -6.817 237 HG3 GLN 31 HG3 GLN 31 -1.680 6.895 -7.378 238 HE21 GLN 31 HE21 GLN 31 -4.624 8.687 -7.999 239 HE22 GLN 31 HE22 GLN 31 -4.889 8.151 -9.666 240 H ILE 32 H ILE 32 -0.866 5.296 -7.310 241 HA ILE 32 HA ILE 32 0.403 4.071 -5.008 242 HB ILE 32 HB ILE 32 1.260 3.226 -7.816 243 HG12 ILE 32 HG12 ILE 32 -0.063 1.407 -5.790 244 HG13 ILE 32 HG13 ILE 32 -0.944 2.118 -7.139 245 HG21 ILE 32 HG21 ILE 32 3.081 3.315 -6.132 246 HG22 ILE 32 HG22 ILE 32 2.151 2.247 -5.058 247 HG23 ILE 32 HG23 ILE 32 2.768 1.666 -6.619 248 HD11 ILE 32 HD11 ILE 32 1.296 0.151 -7.401 249 HD12 ILE 32 HD12 ILE 32 -0.416 0.022 -7.875 250 HD13 ILE 32 HD13 ILE 32 0.654 1.126 -8.751 251 H ARG 33 H ARG 33 1.941 5.519 -4.458 252 HA ARG 33 HA ARG 33 3.382 7.049 -6.505 253 HB2 ARG 33 HB2 ARG 33 1.353 8.292 -5.368 254 HB3 ARG 33 HB3 ARG 33 2.378 8.417 -3.965 255 HG2 ARG 33 HG2 ARG 33 3.056 9.283 -6.785 256 HG3 ARG 33 HG3 ARG 33 2.467 10.357 -5.500 257 HD2 ARG 33 HD2 ARG 33 4.525 9.671 -4.161 258 HD3 ARG 33 HD3 ARG 33 5.142 8.911 -5.642 259 HE ARG 33 HE ARG 33 4.390 11.802 -5.570 260 HH11 ARG 33 HH11 ARG 33 7.115 9.425 -6.020 261 HH12 ARG 33 HH12 ARG 33 8.002 10.618 -6.912 262 HH21 ARG 33 HH21 ARG 33 5.692 13.206 -6.521 263 HH22 ARG 33 HH22 ARG 33 7.346 12.838 -6.952 264 H LEU 34 H LEU 34 5.405 6.151 -6.131 265 HA LEU 34 HA LEU 34 6.198 5.477 -3.367 266 HB2 LEU 34 HB2 LEU 34 6.634 3.922 -5.188 267 HB3 LEU 34 HB3 LEU 34 7.544 5.104 -6.085 268 HG LEU 34 HG LEU 34 8.780 3.213 -4.716 269 HD11 LEU 34 HD11 LEU 34 9.648 6.141 -4.669 270 HD12 LEU 34 HD12 LEU 34 9.984 4.929 -5.905 271 HD13 LEU 34 HD13 LEU 34 10.701 4.774 -4.301 272 HD21 LEU 34 HD21 LEU 34 7.573 3.741 -2.578 273 HD22 LEU 34 HD22 LEU 34 8.580 5.207 -2.446 274 HD23 LEU 34 HD23 LEU 34 9.323 3.630 -2.464 275 H ARG 35 H ARG 35 7.358 6.920 -2.112 276 HA ARG 35 HA ARG 35 8.656 9.250 -3.468 277 HB2 ARG 35 HB2 ARG 35 7.414 9.154 -0.690 278 HB3 ARG 35 HB3 ARG 35 8.376 10.475 -1.378 279 HG2 ARG 35 HG2 ARG 35 6.631 10.434 -3.326 280 HG3 ARG 35 HG3 ARG 35 5.624 9.506 -2.183 281 HD2 ARG 35 HD2 ARG 35 5.990 11.414 -0.527 282 HD3 ARG 35 HD3 ARG 35 6.800 12.289 -1.833 283 HE ARG 35 HE ARG 35 3.995 11.304 -2.206 284 HH11 ARG 35 HH11 ARG 35 6.169 14.139 -1.986 285 HH12 ARG 35 HH12 ARG 35 4.847 15.235 -1.862 286 HH21 ARG 35 HH21 ARG 35 2.397 12.711 -2.420 287 HH22 ARG 35 HH22 ARG 35 2.631 14.432 -2.490 288 H ALA 36 H ALA 36 10.515 8.060 -3.832 289 HA ALA 36 HA ALA 36 11.849 6.398 -1.980 290 HB1 ALA 36 HB1 ALA 36 13.828 6.765 -3.417 291 HB2 ALA 36 HB2 ALA 36 12.371 6.445 -4.374 292 HB3 ALA 36 HB3 ALA 36 12.985 8.093 -4.243 293 H ASP 37 H ASP 37 11.832 9.873 -2.354 294 HA ASP 37 HA ASP 37 13.964 10.835 -0.929 295 HB2 ASP 37 HB2 ASP 37 11.070 11.810 -0.966 296 HB3 ASP 37 HB3 ASP 37 12.397 12.735 -0.277 297 H LYS 38 H LYS 38 11.226 9.142 0.443 298 HA LYS 38 HA LYS 38 12.322 9.505 3.185 299 HB2 LYS 38 HB2 LYS 38 9.556 10.118 2.202 300 HB3 LYS 38 HB3 LYS 38 9.730 9.458 3.822 301 HG2 LYS 38 HG2 LYS 38 11.333 11.890 3.015 302 HG3 LYS 38 HG3 LYS 38 9.644 12.001 3.533 303 HD2 LYS 38 HD2 LYS 38 10.287 10.657 5.601 304 HD3 LYS 38 HD3 LYS 38 11.987 10.915 5.149 305 HE2 LYS 38 HE2 LYS 38 11.764 13.304 5.378 306 HE3 LYS 38 HE3 LYS 38 9.991 13.204 5.395 307 HZ1 LYS 38 HZ1 LYS 38 10.933 13.534 7.601 308 HZ2 LYS 38 HZ2 LYS 38 11.742 12.129 7.511 309 HZ3 LYS 38 HZ3 LYS 38 10.088 12.121 7.515 310 H GLY 39 H GLY 39 11.643 7.354 0.762 311 HA2 GLY 39 HA2 GLY 39 11.500 5.070 0.677 312 HA3 GLY 39 HA3 GLY 39 11.970 5.034 2.386 313 H ILE 40 H ILE 40 9.032 6.557 0.895 314 HA ILE 40 HA ILE 40 7.308 4.601 2.203 315 HB ILE 40 HB ILE 40 5.847 6.692 2.733 316 HG12 ILE 40 HG12 ILE 40 8.464 8.054 2.863 317 HG13 ILE 40 HG13 ILE 40 7.495 8.184 1.388 318 HG21 ILE 40 HG21 ILE 40 7.161 7.207 4.913 319 HG22 ILE 40 HG22 ILE 40 6.618 5.579 4.616 320 HG23 ILE 40 HG23 ILE 40 8.331 6.010 4.353 321 HD11 ILE 40 HD11 ILE 40 6.671 9.215 4.129 322 HD12 ILE 40 HD12 ILE 40 7.089 10.162 2.694 323 HD13 ILE 40 HD13 ILE 40 5.620 9.178 2.690 324 H ALA 41 H ALA 41 5.058 4.927 1.426 325 HA ALA 41 HA ALA 41 4.862 6.110 -1.251 326 HB1 ALA 41 HB1 ALA 41 5.536 3.709 -1.597 327 HB2 ALA 41 HB2 ALA 41 4.135 3.199 -0.635 328 HB3 ALA 41 HB3 ALA 41 3.898 4.028 -2.187 329 H PHE 42 H PHE 42 2.561 6.050 -1.954 330 HA PHE 42 HA PHE 42 0.583 6.045 0.279 331 HB2 PHE 42 HB2 PHE 42 0.788 8.207 -1.835 332 HB3 PHE 42 HB3 PHE 42 -0.514 7.996 -0.693 333 HD1 PHE 42 HD1 PHE 42 -0.204 8.418 1.736 334 HD2 PHE 42 HD2 PHE 42 2.974 9.092 -1.096 335 HE1 PHE 42 HE1 PHE 42 0.984 9.794 3.419 336 HE2 PHE 42 HE2 PHE 42 4.147 10.528 0.599 337 HZ PHE 42 HZ PHE 42 3.138 10.896 2.827 338 H LEU 43 H LEU 43 -0.928 4.640 -0.209 339 HA LEU 43 HA LEU 43 -1.596 4.056 -3.007 340 HB2 LEU 43 HB2 LEU 43 -1.199 2.038 -0.746 341 HB3 LEU 43 HB3 LEU 43 -2.099 1.733 -2.221 342 HG LEU 43 HG LEU 43 0.153 2.648 -3.382 343 HD11 LEU 43 HD11 LEU 43 1.143 1.380 -0.812 344 HD12 LEU 43 HD12 LEU 43 1.455 3.033 -1.372 345 HD13 LEU 43 HD13 LEU 43 2.147 1.667 -2.252 346 HD21 LEU 43 HD21 LEU 43 0.854 0.278 -3.630 347 HD22 LEU 43 HD22 LEU 43 -0.882 0.555 -3.879 348 HD23 LEU 43 HD23 LEU 43 -0.315 -0.167 -2.356 349 H GLU 44 H GLU 44 -3.445 4.894 -3.250 350 HA GLU 44 HA GLU 44 -5.382 5.432 -1.123 351 HB2 GLU 44 HB2 GLU 44 -5.155 5.952 -4.132 352 HB3 GLU 44 HB3 GLU 44 -6.633 6.224 -3.269 353 HG2 GLU 44 HG2 GLU 44 -5.719 8.329 -3.279 354 HG3 GLU 44 HG3 GLU 44 -5.282 7.767 -1.685 355 H PHE 45 H PHE 45 -7.537 4.568 -1.139 356 HA PHE 45 HA PHE 45 -8.193 2.379 -3.018 357 HB2 PHE 45 HB2 PHE 45 -8.174 2.151 0.017 358 HB3 PHE 45 HB3 PHE 45 -9.062 1.083 -1.057 359 HD1 PHE 45 HD2 PHE 45 -5.546 2.225 -0.362 360 HD2 PHE 45 HD1 PHE 45 -8.115 -0.876 -1.886 361 HE1 PHE 45 HE2 PHE 45 -3.606 0.706 -0.553 362 HE2 PHE 45 HE1 PHE 45 -6.189 -2.418 -2.002 363 HZ PHE 45 HZ PHE 45 -3.899 -1.618 -1.317 364 H ASP 46 H ASP 46 -10.026 3.200 -3.937 365 HA ASP 46 HA ASP 46 -11.789 5.064 -2.579 366 HB2 ASP 46 HB2 ASP 46 -11.522 5.268 -4.970 367 HB3 ASP 46 HB3 ASP 46 -12.147 3.628 -5.215 368 H ALA 47 H ALA 47 -13.183 4.562 -1.169 369 HA ALA 47 HA ALA 47 -14.108 1.894 -0.577 370 HB1 ALA 47 HB1 ALA 47 -15.075 2.872 1.364 371 HB2 ALA 47 HB2 ALA 47 -13.557 3.762 1.118 372 HB3 ALA 47 HB3 ALA 47 -15.114 4.472 0.637 373 H ASP 48 H ASP 48 -15.243 4.622 -2.437 374 HA ASP 48 HA ASP 48 -18.048 3.853 -2.242 375 HB2 ASP 48 HB2 ASP 48 -16.730 6.196 -2.924 376 HB3 ASP 48 HB3 ASP 48 -17.179 5.589 -4.499 377 H LYS 49 H LYS 49 -15.270 3.094 -4.340 378 HA LYS 49 HA LYS 49 -16.814 2.105 -6.550 379 HB2 LYS 49 HB2 LYS 49 -14.566 2.765 -6.938 380 HB3 LYS 49 HB3 LYS 49 -13.945 1.837 -5.569 381 HG2 LYS 49 HG2 LYS 49 -14.383 -0.206 -6.630 382 HG3 LYS 49 HG3 LYS 49 -15.218 0.553 -8.009 383 HD2 LYS 49 HD2 LYS 49 -13.103 1.539 -8.751 384 HD3 LYS 49 HD3 LYS 49 -12.246 0.855 -7.354 385 HE2 LYS 49 HE2 LYS 49 -13.807 -0.813 -9.392 386 HE3 LYS 49 HE3 LYS 49 -12.085 -0.477 -9.540 387 HZ1 LYS 49 HZ1 LYS 49 -13.321 -1.963 -7.284 388 HZ2 LYS 49 HZ2 LYS 49 -11.717 -1.598 -7.450 389 HZ3 LYS 49 HZ3 LYS 49 -12.452 -2.584 -8.545 390 H ASP 50 H ASP 50 -15.521 0.670 -3.597 391 HA ASP 50 HA ASP 50 -16.976 -1.886 -4.195 392 HB2 ASP 50 HB2 ASP 50 -14.070 -1.393 -3.642 393 HB3 ASP 50 HB3 ASP 50 -14.789 -2.739 -2.784 394 H ARG 51 H ARG 51 -18.666 -0.777 -2.855 395 HA ARG 51 HA ARG 51 -18.329 -0.042 -0.158 396 HB2 ARG 51 HB2 ARG 51 -20.507 -0.342 -1.931 397 HB3 ARG 51 HB3 ARG 51 -20.910 -1.383 -0.585 398 HG2 ARG 51 HG2 ARG 51 -20.160 1.549 -0.446 399 HG3 ARG 51 HG3 ARG 51 -21.801 0.914 -0.381 400 HD2 ARG 51 HD2 ARG 51 -19.710 0.352 1.756 401 HD3 ARG 51 HD3 ARG 51 -20.856 1.694 1.793 402 HE ARG 51 HE ARG 51 -21.927 -1.049 1.477 403 HH11 ARG 51 HH11 ARG 51 -21.405 1.639 3.813 404 HH12 ARG 51 HH12 ARG 51 -22.536 0.972 4.936 405 HH21 ARG 51 HH21 ARG 51 -23.682 -1.609 2.849 406 HH22 ARG 51 HH22 ARG 51 -23.665 -0.985 4.474 407 H THR 52 H THR 52 -19.106 -3.304 -1.314 408 HA THR 52 HA THR 52 -18.817 -4.240 1.443 409 HB THR 52 HB THR 52 -19.394 -6.209 -0.707 410 HG1 THR 52 HG1 THR 52 -20.666 -4.728 -1.599 411 HG21 THR 52 HG21 THR 52 -19.531 -6.574 1.785 412 HG22 THR 52 HG22 THR 52 -21.078 -6.881 0.955 413 HG23 THR 52 HG23 THR 52 -20.805 -5.371 1.855 414 H GLY 53 H GLY 53 -16.502 -3.586 -0.773 415 HA2 GLY 53 HA2 GLY 53 -14.860 -5.907 0.186 416 HA3 GLY 53 HA3 GLY 53 -14.885 -5.398 -1.477 417 H ILE 54 H ILE 54 -14.987 -2.424 0.106 418 HA ILE 54 HA ILE 54 -12.273 -1.851 -0.366 419 HB ILE 54 HB ILE 54 -13.828 -0.110 -0.285 420 HG12 ILE 54 HG12 ILE 54 -12.915 1.479 1.456 421 HG13 ILE 54 HG13 ILE 54 -12.082 0.148 2.223 422 HG21 ILE 54 HG21 ILE 54 -14.451 -0.729 2.611 423 HG22 ILE 54 HG22 ILE 54 -15.091 0.637 1.690 424 HG23 ILE 54 HG23 ILE 54 -15.556 -0.987 1.232 425 HD11 ILE 54 HD11 ILE 54 -10.605 1.487 0.790 426 HD12 ILE 54 HD12 ILE 54 -10.711 -0.174 0.185 427 HD13 ILE 54 HD13 ILE 54 -11.615 1.126 -0.626 428 H GLN 55 H GLN 55 -13.944 -2.895 2.594 429 HA GLN 55 HA GLN 55 -11.755 -2.767 4.361 430 HB2 GLN 55 HB2 GLN 55 -14.317 -3.394 4.731 431 HB3 GLN 55 HB3 GLN 55 -13.777 -5.042 4.479 432 HG2 GLN 55 HG2 GLN 55 -13.363 -3.174 6.742 433 HG3 GLN 55 HG3 GLN 55 -13.644 -4.901 6.768 434 HE21 GLN 55 HE21 GLN 55 -11.701 -6.327 6.259 435 HE22 GLN 55 HE22 GLN 55 -10.146 -5.746 6.736 436 H ARG 56 H ARG 56 -12.919 -5.607 2.480 437 HA ARG 56 HA ARG 56 -10.871 -7.405 2.992 438 HB2 ARG 56 HB2 ARG 56 -12.456 -6.959 0.415 439 HB3 ARG 56 HB3 ARG 56 -11.366 -8.309 0.620 440 HG2 ARG 56 HG2 ARG 56 -13.502 -7.878 2.718 441 HG3 ARG 56 HG3 ARG 56 -13.990 -8.493 1.139 442 HD2 ARG 56 HD2 ARG 56 -11.737 -9.746 2.753 443 HD3 ARG 56 HD3 ARG 56 -13.433 -10.234 2.908 444 HE ARG 56 HE ARG 56 -12.782 -10.300 0.158 445 HH11 ARG 56 HH11 ARG 56 -11.859 -11.999 3.144 446 HH12 ARG 56 HH12 ARG 56 -11.911 -13.571 2.423 447 HH21 ARG 56 HH21 ARG 56 -12.596 -12.399 -0.856 448 HH22 ARG 56 HH22 ARG 56 -12.206 -13.784 0.111 449 H ARG 57 H ARG 57 -10.933 -4.929 0.400 450 HA ARG 57 HA ARG 57 -8.433 -5.558 -0.779 451 HB2 ARG 57 HB2 ARG 57 -9.920 -2.889 -0.542 452 HB3 ARG 57 HB3 ARG 57 -8.468 -3.123 -1.497 453 HG2 ARG 57 HG2 ARG 57 -9.574 -4.739 -2.923 454 HG3 ARG 57 HG3 ARG 57 -11.023 -4.704 -1.958 455 HD2 ARG 57 HD2 ARG 57 -11.792 -2.797 -2.967 456 HD3 ARG 57 HD3 ARG 57 -10.213 -2.035 -2.914 457 HE ARG 57 HE ARG 57 -10.241 -2.286 -5.099 458 HH11 ARG 57 HH11 ARG 57 -11.667 -5.413 -4.060 459 HH12 ARG 57 HH12 ARG 57 -11.164 -6.231 -5.504 460 HH21 ARG 57 HH21 ARG 57 -10.030 -3.314 -7.132 461 HH22 ARG 57 HH22 ARG 57 -10.773 -4.879 -7.353 462 H MET 58 H MET 58 -9.190 -3.284 1.934 463 HA MET 58 HA MET 58 -6.427 -2.608 2.323 464 HB2 MET 58 HB2 MET 58 -8.883 -2.281 4.091 465 HB3 MET 58 HB3 MET 58 -7.273 -1.640 4.452 466 HG2 MET 58 HG2 MET 58 -7.394 -0.598 2.060 467 HG3 MET 58 HG3 MET 58 -9.124 -0.882 2.176 468 HE1 MET 58 HE1 MET 58 -9.600 -0.227 5.388 469 HE2 MET 58 HE2 MET 58 -9.986 1.505 5.276 470 HE3 MET 58 HE3 MET 58 -10.687 0.367 4.101 471 H ASP 59 H ASP 59 -8.462 -5.174 3.683 472 HA ASP 59 HA ASP 59 -6.976 -6.086 5.853 473 HB2 ASP 59 HB2 ASP 59 -9.168 -6.821 4.516 474 HB3 ASP 59 HB3 ASP 59 -8.181 -8.091 3.908 475 H ILE 60 H ILE 60 -6.822 -7.095 2.476 476 HA ILE 60 HA ILE 60 -4.623 -8.915 2.680 477 HB ILE 60 HB ILE 60 -5.866 -7.352 0.375 478 HG12 ILE 60 HG12 ILE 60 -6.173 -10.336 0.746 479 HG13 ILE 60 HG13 ILE 60 -7.146 -9.262 1.749 480 HG21 ILE 60 HG21 ILE 60 -3.884 -9.662 0.191 481 HG22 ILE 60 HG22 ILE 60 -4.814 -8.991 -1.164 482 HG23 ILE 60 HG23 ILE 60 -3.613 -7.989 -0.346 483 HD11 ILE 60 HD11 ILE 60 -8.039 -8.147 -0.265 484 HD12 ILE 60 HD12 ILE 60 -7.150 -9.302 -1.285 485 HD13 ILE 60 HD13 ILE 60 -8.425 -9.866 -0.178 486 H ALA 61 H ALA 61 -4.839 -5.404 2.038 487 HA ALA 61 HA ALA 61 -2.032 -5.152 1.410 488 HB1 ALA 61 HB1 ALA 61 -2.391 -2.754 1.643 489 HB2 ALA 61 HB2 ALA 61 -3.750 -3.442 0.736 490 HB3 ALA 61 HB3 ALA 61 -3.946 -3.001 2.445 491 H LEU 62 H LEU 62 -3.986 -4.846 4.484 492 HA LEU 62 HA LEU 62 -1.716 -3.951 6.029 493 HB2 LEU 62 HB2 LEU 62 -4.321 -5.322 6.738 494 HB3 LEU 62 HB3 LEU 62 -3.112 -4.953 7.961 495 HG LEU 62 HG LEU 62 -4.388 -2.858 6.147 496 HD11 LEU 62 HD11 LEU 62 -4.985 -3.516 9.064 497 HD12 LEU 62 HD12 LEU 62 -6.002 -3.975 7.682 498 HD13 LEU 62 HD13 LEU 62 -5.759 -2.272 8.049 499 HD21 LEU 62 HD21 LEU 62 -3.480 -1.303 7.982 500 HD22 LEU 62 HD22 LEU 62 -2.270 -2.007 6.909 501 HD23 LEU 62 HD23 LEU 62 -2.494 -2.671 8.532 502 H LEU 63 H LEU 63 -2.798 -7.149 5.060 503 HA LEU 63 HA LEU 63 -1.133 -8.551 6.926 504 HB2 LEU 63 HB2 LEU 63 -2.483 -9.260 4.284 505 HB3 LEU 63 HB3 LEU 63 -1.477 -10.445 5.091 506 HG LEU 63 HG LEU 63 -3.781 -9.083 6.536 507 HD11 LEU 63 HD11 LEU 63 -3.848 -11.657 4.911 508 HD12 LEU 63 HD12 LEU 63 -4.729 -10.140 4.571 509 HD13 LEU 63 HD13 LEU 63 -5.134 -11.092 6.002 510 HD21 LEU 63 HD21 LEU 63 -2.406 -11.754 7.035 511 HD22 LEU 63 HD22 LEU 63 -3.677 -10.994 8.019 512 HD23 LEU 63 HD23 LEU 63 -2.081 -10.256 7.932 513 H GLN 64 H GLN 64 -0.248 -6.653 4.233 514 HA GLN 64 HA GLN 64 2.193 -8.198 3.680 515 HB2 GLN 64 HB2 GLN 64 1.511 -5.431 2.649 516 HB3 GLN 64 HB3 GLN 64 2.710 -6.548 2.028 517 HG2 GLN 64 HG2 GLN 64 -0.285 -6.737 1.764 518 HG3 GLN 64 HG3 GLN 64 0.926 -6.623 0.494 519 HE21 GLN 64 HE21 GLN 64 -1.094 -8.755 2.109 520 HE22 GLN 64 HE22 GLN 64 -0.150 -10.252 1.986 521 H HIS 65 H HIS 65 1.496 -6.422 6.394 522 HA HIS 65 HA HIS 65 3.655 -4.580 6.571 523 HB2 HIS 65 HB2 HIS 65 1.521 -4.404 7.810 524 HB3 HIS 65 HB3 HIS 65 1.819 -5.946 8.583 525 HD2 HIS 65 HD2 HIS 65 2.785 -5.807 10.922 526 HE1 HIS 65 HE1 HIS 65 4.918 -2.139 10.673 527 HE2 HIS 65 HE2 HIS 65 4.295 -4.084 12.193 528 H GLY 66 H GLY 66 5.700 -5.164 6.850 529 HA2 GLY 66 HA2 GLY 66 7.435 -6.170 8.158 530 HA3 GLY 66 HA3 GLY 66 6.388 -7.517 8.576 531 H THR 67 H THR 67 6.130 -6.907 5.209 532 HA THR 67 HA THR 67 7.525 -9.361 4.557 533 HB THR 67 HB THR 67 6.958 -8.709 2.223 534 HG1 THR 67 HG1 THR 67 5.699 -6.848 1.912 535 HG21 THR 67 HG21 THR 67 4.667 -8.462 4.215 536 HG22 THR 67 HG22 THR 67 5.218 -9.915 3.407 537 HG23 THR 67 HG23 THR 67 4.440 -8.639 2.465 538 H LEU 68 H LEU 68 9.396 -9.539 3.225 539 HA LEU 68 HA LEU 68 11.345 -7.344 3.637 540 HB2 LEU 68 HB2 LEU 68 11.750 -10.227 2.794 541 HB3 LEU 68 HB3 LEU 68 13.021 -9.033 3.064 542 HG LEU 68 HG LEU 68 11.249 -10.458 5.063 543 HD11 LEU 68 HD11 LEU 68 13.445 -11.448 4.505 544 HD12 LEU 68 HD12 LEU 68 13.419 -10.861 6.186 545 HD13 LEU 68 HD13 LEU 68 14.250 -9.916 4.929 546 HD21 LEU 68 HD21 LEU 68 11.046 -8.205 5.837 547 HD22 LEU 68 HD22 LEU 68 12.779 -7.882 5.547 548 HD23 LEU 68 HD23 LEU 68 12.257 -8.993 6.840 549 H LEU 69 H LEU 69 11.399 -5.961 2.016 550 HA LEU 69 HA LEU 69 11.030 -6.905 -0.790 551 HB2 LEU 69 HB2 LEU 69 9.969 -4.581 0.775 552 HB3 LEU 69 HB3 LEU 69 10.654 -4.143 -0.786 553 HG LEU 69 HG LEU 69 8.695 -6.453 -0.554 554 HD11 LEU 69 HD11 LEU 69 8.062 -3.493 -0.880 555 HD12 LEU 69 HD12 LEU 69 7.500 -4.618 0.393 556 HD13 LEU 69 HD13 LEU 69 6.941 -4.805 -1.279 557 HD21 LEU 69 HD21 LEU 69 8.294 -5.915 -2.911 558 HD22 LEU 69 HD22 LEU 69 10.022 -6.199 -2.662 559 HD23 LEU 69 HD23 LEU 69 9.423 -4.533 -2.807 560 H LYS 70 H LYS 70 12.911 -6.936 -1.814 561 HA LYS 70 HA LYS 70 15.103 -6.702 -2.264 562 HB2 LYS 70 HB2 LYS 70 14.500 -3.789 -1.944 563 HB3 LYS 70 HB3 LYS 70 15.890 -4.424 -2.692 564 HG2 LYS 70 HG2 LYS 70 14.380 -5.541 -4.377 565 HG3 LYS 70 HG3 LYS 70 13.000 -4.836 -3.519 566 HD2 LYS 70 HD2 LYS 70 14.163 -2.556 -3.869 567 HD3 LYS 70 HD3 LYS 70 15.215 -3.382 -5.039 568 HE2 LYS 70 HE2 LYS 70 12.227 -3.713 -4.999 569 HE3 LYS 70 HE3 LYS 70 12.922 -2.292 -5.807 570 HZ1 LYS 70 HZ1 LYS 70 14.207 -3.793 -7.213 571 HZ2 LYS 70 HZ2 LYS 70 12.606 -3.972 -7.433 572 HZ3 LYS 70 HZ3 LYS 70 13.453 -5.108 -6.574 573 H GLU 71 H GLU 71 15.137 -7.709 0.031 574 HA GLU 71 HA GLU 71 16.072 -8.047 2.059 575 HB2 GLU 71 HB2 GLU 71 18.141 -6.178 0.836 576 HB3 GLU 71 HB3 GLU 71 18.416 -7.115 2.299 577 HG2 GLU 71 HG2 GLU 71 17.590 -8.351 -0.374 578 HG3 GLU 71 HG3 GLU 71 19.225 -8.183 0.175 579 H LYS 72 H LYS 72 14.285 -5.414 1.805 580 HA LYS 72 HA LYS 72 15.070 -4.329 4.477 581 HB2 LYS 72 HB2 LYS 72 13.941 -3.044 1.975 582 HB3 LYS 72 HB3 LYS 72 13.693 -2.312 3.543 583 HG2 LYS 72 HG2 LYS 72 16.503 -3.119 2.715 584 HG3 LYS 72 HG3 LYS 72 15.803 -1.669 2.030 585 HD2 LYS 72 HD2 LYS 72 16.002 -2.160 5.018 586 HD3 LYS 72 HD3 LYS 72 17.168 -1.254 4.035 587 HE2 LYS 72 HE2 LYS 72 15.250 0.227 3.278 588 HE3 LYS 72 HE3 LYS 72 14.244 -0.555 4.506 589 HZ1 LYS 72 HZ1 LYS 72 15.811 0.214 6.176 590 HZ2 LYS 72 HZ2 LYS 72 15.218 1.473 5.314 591 HZ3 LYS 72 HZ3 LYS 72 16.740 0.938 5.003 592 H LYS 73 H LYS 73 13.664 -4.739 6.062 593 HA LYS 73 HA LYS 73 11.081 -5.963 5.517 594 HB2 LYS 73 HB2 LYS 73 12.636 -6.478 7.477 595 HB3 LYS 73 HB3 LYS 73 12.293 -4.881 8.112 596 HG2 LYS 73 HG2 LYS 73 10.372 -5.521 9.006 597 HG3 LYS 73 HG3 LYS 73 9.781 -6.266 7.526 598 HD2 LYS 73 HD2 LYS 73 10.450 -8.387 8.143 599 HD3 LYS 73 HD3 LYS 73 11.878 -7.843 8.986 600 HE2 LYS 73 HE2 LYS 73 9.051 -7.424 10.068 601 HE3 LYS 73 HE3 LYS 73 10.075 -8.823 10.443 602 HZ1 LYS 73 HZ1 LYS 73 10.810 -6.020 11.032 603 HZ2 LYS 73 HZ2 LYS 73 11.748 -7.350 11.279 604 HZ3 LYS 73 HZ3 LYS 73 10.367 -7.183 12.127 605 H ILE 74 H ILE 74 9.251 -4.681 5.100 606 HA ILE 74 HA ILE 74 9.490 -1.797 5.811 607 HB ILE 74 HB ILE 74 8.183 -1.252 4.054 608 HG12 ILE 74 HG12 ILE 74 7.722 -4.070 3.173 609 HG13 ILE 74 HG13 ILE 74 6.586 -2.950 3.993 610 HG21 ILE 74 HG21 ILE 74 10.651 -1.834 3.612 611 HG22 ILE 74 HG22 ILE 74 10.082 -3.348 2.898 612 HG23 ILE 74 HG23 ILE 74 9.637 -1.811 2.157 613 HD11 ILE 74 HD11 ILE 74 7.698 -2.414 1.254 614 HD12 ILE 74 HD12 ILE 74 6.104 -3.096 1.635 615 HD13 ILE 74 HD13 ILE 74 6.514 -1.463 2.170 616 H ASN 75 H ASN 75 7.312 -0.660 5.979 617 HA ASN 75 HA ASN 75 5.587 -2.192 7.881 618 HB2 ASN 75 HB2 ASN 75 5.049 -0.047 8.923 619 HB3 ASN 75 HB3 ASN 75 6.769 -0.412 9.118 620 HD21 ASN 75 HD21 ASN 75 4.322 1.656 7.416 621 HD22 ASN 75 HD22 ASN 75 5.504 2.852 6.931 622 H VAL 76 H VAL 76 3.350 -1.957 7.679 623 HA VAL 76 HA VAL 76 2.273 -0.284 5.523 624 HB VAL 76 HB VAL 76 1.714 -3.278 5.747 625 HG11 VAL 76 HG11 VAL 76 0.701 -1.089 3.908 626 HG12 VAL 76 HG12 VAL 76 0.513 -2.813 3.564 627 HG13 VAL 76 HG13 VAL 76 -0.239 -2.115 5.002 628 HG21 VAL 76 HG21 VAL 76 3.920 -3.065 4.755 629 HG22 VAL 76 HG22 VAL 76 2.763 -3.474 3.496 630 HG23 VAL 76 HG23 VAL 76 3.358 -1.804 3.653 631 H GLU 77 H GLU 77 0.924 0.961 6.739 632 HA GLU 77 HA GLU 77 -0.934 -0.336 8.636 633 HB2 GLU 77 HB2 GLU 77 -0.610 1.848 10.015 634 HB3 GLU 77 HB3 GLU 77 0.454 0.450 10.239 635 HG2 GLU 77 HG2 GLU 77 2.131 1.669 8.689 636 HG3 GLU 77 HG3 GLU 77 1.077 3.074 8.874 637 H LEU 78 H LEU 78 -2.808 1.421 9.188 638 HA LEU 78 HA LEU 78 -3.691 2.417 6.586 639 HB2 LEU 78 HB2 LEU 78 -4.785 0.906 8.728 640 HB3 LEU 78 HB3 LEU 78 -5.499 2.479 8.930 641 HG LEU 78 HG LEU 78 -6.830 1.003 7.696 642 HD11 LEU 78 HD11 LEU 78 -6.769 3.507 7.073 643 HD12 LEU 78 HD12 LEU 78 -7.559 2.413 5.922 644 HD13 LEU 78 HD13 LEU 78 -5.925 3.007 5.601 645 HD21 LEU 78 HD21 LEU 78 -4.693 0.835 5.534 646 HD22 LEU 78 HD22 LEU 78 -6.310 0.110 5.478 647 HD23 LEU 78 HD23 LEU 78 -5.142 -0.437 6.675 648 H THR 79 H THR 79 -4.696 4.451 6.352 649 HA THR 79 HA THR 79 -4.496 6.359 8.535 650 HB THR 79 HB THR 79 -3.625 8.071 6.880 651 HG1 THR 79 HG1 THR 79 -3.438 5.936 5.288 652 HG21 THR 79 HG21 THR 79 -1.271 7.611 7.382 653 HG22 THR 79 HG22 THR 79 -1.688 5.956 7.867 654 HG23 THR 79 HG23 THR 79 -2.303 7.336 8.796 655 H VAL 80 H VAL 80 -5.802 8.152 8.220 656 HA VAL 80 HA VAL 80 -7.692 9.210 7.890 657 HB VAL 80 HB VAL 80 -7.572 8.385 4.966 658 HG11 VAL 80 HG11 VAL 80 -8.744 10.582 4.742 659 HG12 VAL 80 HG12 VAL 80 -9.687 9.421 5.699 660 HG13 VAL 80 HG13 VAL 80 -8.790 10.707 6.518 661 HG21 VAL 80 HG21 VAL 80 -6.363 10.588 4.704 662 HG22 VAL 80 HG22 VAL 80 -6.155 10.623 6.466 663 HG23 VAL 80 HG23 VAL 80 -5.407 9.333 5.495 664 H GLY 81 H GLY 81 -8.885 7.946 9.273 665 HA2 GLY 81 HA2 GLY 81 -11.416 7.353 8.807 666 HA3 GLY 81 HA3 GLY 81 -10.682 5.918 8.103 667 H GLY 82 H GLY 82 -8.562 6.496 10.511 668 HA2 GLY 82 HA2 GLY 82 -10.094 4.986 12.600 669 HA3 GLY 82 HA3 GLY 82 -8.362 4.784 12.245 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -14.927 9.908 5.763 2 HA2 GLY 1 HA2 GLY 1 -16.802 9.341 4.295 3 HA3 GLY 1 HA3 GLY 1 -15.453 10.079 3.401 4 H ASN 2 H ASN 2 -15.317 9.070 1.445 5 HA ASN 2 HA ASN 2 -15.628 6.120 1.354 6 HB2 ASN 2 HB2 ASN 2 -16.329 6.306 -0.878 7 HB3 ASN 2 HB3 ASN 2 -17.238 7.538 -0.003 8 HD21 ASN 2 HD21 ASN 2 -14.821 7.008 -2.596 9 HD22 ASN 2 HD22 ASN 2 -14.579 8.673 -2.954 10 H ARG 3 H ARG 3 -13.063 8.082 1.662 11 HA ARG 3 HA ARG 3 -11.446 6.412 -0.227 12 HB2 ARG 3 HB2 ARG 3 -11.970 9.066 -0.573 13 HB3 ARG 3 HB3 ARG 3 -10.501 9.190 0.381 14 HG2 ARG 3 HG2 ARG 3 -10.726 7.469 -2.144 15 HG3 ARG 3 HG3 ARG 3 -10.480 9.201 -2.181 16 HD2 ARG 3 HD2 ARG 3 -8.420 8.655 -0.581 17 HD3 ARG 3 HD3 ARG 3 -8.537 7.087 -1.383 18 HE ARG 3 HE ARG 3 -8.110 8.124 -3.503 19 HH11 ARG 3 HH11 ARG 3 -8.032 10.583 -0.893 20 HH12 ARG 3 HH12 ARG 3 -7.535 11.838 -1.967 21 HH21 ARG 3 HH21 ARG 3 -7.269 9.728 -4.787 22 HH22 ARG 3 HH22 ARG 3 -6.967 11.324 -4.181 23 H PHE 4 H PHE 4 -9.602 5.537 0.598 24 HA PHE 4 HA PHE 4 -8.634 6.305 3.251 25 HB2 PHE 4 HB2 PHE 4 -9.427 3.464 2.437 26 HB3 PHE 4 HB3 PHE 4 -8.483 3.863 3.846 27 HD1 PHE 4 HD1 PHE 4 -11.912 4.387 2.347 28 HD2 PHE 4 HD2 PHE 4 -9.540 4.314 5.944 29 HE1 PHE 4 HE1 PHE 4 -13.943 4.736 3.685 30 HE2 PHE 4 HE2 PHE 4 -11.579 4.617 7.287 31 HZ PHE 4 HZ PHE 4 -13.802 4.826 6.166 32 H ILE 5 H ILE 5 -6.507 5.383 3.611 33 HA ILE 5 HA ILE 5 -5.051 4.776 1.127 34 HB ILE 5 HB ILE 5 -4.126 6.951 3.012 35 HG12 ILE 5 HG12 ILE 5 -5.168 7.642 0.246 36 HG13 ILE 5 HG13 ILE 5 -6.324 7.546 1.537 37 HG21 ILE 5 HG21 ILE 5 -3.206 6.209 0.204 38 HG22 ILE 5 HG22 ILE 5 -2.608 7.589 1.146 39 HG23 ILE 5 HG23 ILE 5 -2.308 5.955 1.716 40 HD11 ILE 5 HD11 ILE 5 -3.951 9.354 1.751 41 HD12 ILE 5 HD12 ILE 5 -5.583 9.778 1.172 42 HD13 ILE 5 HD13 ILE 5 -5.374 9.199 2.828 43 H VAL 6 H VAL 6 -3.242 3.643 1.402 44 HA VAL 6 HA VAL 6 -2.669 2.392 4.021 45 HB VAL 6 HB VAL 6 -2.195 1.617 1.117 46 HG11 VAL 6 HG11 VAL 6 -0.351 0.782 2.658 47 HG12 VAL 6 HG12 VAL 6 -1.585 -0.215 3.440 48 HG13 VAL 6 HG13 VAL 6 -1.217 -0.430 1.722 49 HG21 VAL 6 HG21 VAL 6 -4.499 1.311 1.729 50 HG22 VAL 6 HG22 VAL 6 -3.739 -0.280 1.629 51 HG23 VAL 6 HG23 VAL 6 -4.047 0.455 3.211 52 H PHE 7 H PHE 7 -0.888 3.083 4.993 53 HA PHE 7 HA PHE 7 1.142 4.781 3.670 54 HB2 PHE 7 HB2 PHE 7 0.176 5.294 6.025 55 HB3 PHE 7 HB3 PHE 7 0.831 3.788 6.552 56 HD1 PHE 7 HD1 PHE 7 1.939 7.020 4.932 57 HD2 PHE 7 HD2 PHE 7 3.056 3.648 7.388 58 HE1 PHE 7 HE1 PHE 7 4.145 8.023 5.319 59 HE2 PHE 7 HE2 PHE 7 5.218 4.697 7.849 60 HZ PHE 7 HZ PHE 7 5.798 6.848 6.784 61 H VAL 8 H VAL 8 3.177 3.810 3.203 62 HA VAL 8 HA VAL 8 3.777 1.171 4.406 63 HB VAL 8 HB VAL 8 4.136 1.820 1.460 64 HG11 VAL 8 HG11 VAL 8 4.979 -0.274 1.142 65 HG12 VAL 8 HG12 VAL 8 5.457 -0.090 2.854 66 HG13 VAL 8 HG13 VAL 8 4.029 -1.012 2.413 67 HG21 VAL 8 HG21 VAL 8 1.737 1.670 1.750 68 HG22 VAL 8 HG22 VAL 8 2.327 0.193 0.984 69 HG23 VAL 8 HG23 VAL 8 1.911 0.178 2.707 70 H GLY 9 H GLY 9 5.924 1.421 5.337 71 HA2 GLY 9 HA2 GLY 9 7.698 3.355 3.941 72 HA3 GLY 9 HA3 GLY 9 7.513 3.548 5.652 73 H SER 10 H SER 10 9.975 3.159 5.267 74 HA SER 10 HA SER 10 11.822 1.953 5.564 75 HB2 SER 10 HB2 SER 10 9.775 0.010 6.516 76 HB3 SER 10 HB3 SER 10 11.343 -0.609 6.162 77 HG SER 10 HG SER 10 12.213 0.627 7.718 78 H LEU 11 H LEU 11 10.244 2.047 2.907 79 HA LEU 11 HA LEU 11 10.904 -0.316 1.474 80 HB2 LEU 11 HB2 LEU 11 10.236 2.529 0.652 81 HB3 LEU 11 HB3 LEU 11 10.686 1.329 -0.543 82 HG LEU 11 HG LEU 11 8.836 -0.103 -0.014 83 HD11 LEU 11 HD11 LEU 11 8.471 0.174 2.378 84 HD12 LEU 11 HD12 LEU 11 7.023 0.712 1.561 85 HD13 LEU 11 HD13 LEU 11 8.141 1.920 2.187 86 HD21 LEU 11 HD21 LEU 11 8.002 2.825 -0.229 87 HD22 LEU 11 HD22 LEU 11 6.951 1.442 -0.597 88 HD23 LEU 11 HD23 LEU 11 8.398 1.711 -1.567 89 HA PRO 12 HA PRO 12 15.245 0.328 0.812 90 HB2 PRO 12 HB2 PRO 12 15.484 -0.855 -1.769 91 HB3 PRO 12 HB3 PRO 12 15.577 -1.724 -0.217 92 HG2 PRO 12 HG2 PRO 12 13.360 -1.539 -2.190 93 HG3 PRO 12 HG3 PRO 12 13.726 -2.807 -0.985 94 HD2 PRO 12 HD2 PRO 12 11.702 -0.849 -0.766 95 HD3 PRO 12 HD3 PRO 12 12.344 -1.804 0.580 96 H ARG 13 H ARG 13 16.692 1.692 -0.367 97 HA ARG 13 HA ARG 13 15.485 3.931 -1.740 98 HB2 ARG 13 HB2 ARG 13 18.331 2.929 -1.361 99 HB3 ARG 13 HB3 ARG 13 17.995 4.156 -2.571 100 HG2 ARG 13 HG2 ARG 13 18.724 5.258 -0.656 101 HG3 ARG 13 HG3 ARG 13 17.025 5.658 -0.895 102 HD2 ARG 13 HD2 ARG 13 16.374 4.275 0.992 103 HD3 ARG 13 HD3 ARG 13 18.015 3.603 1.125 104 HE ARG 13 HE ARG 13 18.462 6.277 1.325 105 HH11 ARG 13 HH11 ARG 13 16.349 4.145 3.211 106 HH12 ARG 13 HH12 ARG 13 16.574 5.023 4.688 107 HH21 ARG 13 HH21 ARG 13 18.419 7.628 3.207 108 HH22 ARG 13 HH22 ARG 13 17.774 7.005 4.660 109 H ASP 14 H ASP 14 16.792 0.867 -2.824 110 HA ASP 14 HA ASP 14 16.828 1.345 -5.662 111 HB2 ASP 14 HB2 ASP 14 17.899 -0.536 -3.898 112 HB3 ASP 14 HB3 ASP 14 16.684 -1.425 -4.799 113 H ILE 15 H ILE 15 14.130 1.042 -3.694 114 HA ILE 15 HA ILE 15 12.549 -0.947 -4.742 115 HB ILE 15 HB ILE 15 12.045 0.399 -2.777 116 HG12 ILE 15 HG12 ILE 15 9.586 0.744 -3.183 117 HG13 ILE 15 HG13 ILE 15 9.858 0.328 -4.872 118 HG21 ILE 15 HG21 ILE 15 11.096 2.553 -4.679 119 HG22 ILE 15 HG22 ILE 15 11.147 2.593 -2.898 120 HG23 ILE 15 HG23 ILE 15 12.646 2.640 -3.840 121 HD11 ILE 15 HD11 ILE 15 10.389 -1.427 -2.431 122 HD12 ILE 15 HD12 ILE 15 9.052 -1.594 -3.584 123 HD13 ILE 15 HD13 ILE 15 10.713 -1.922 -4.109 124 H THR 16 H THR 16 11.202 -1.332 -6.550 125 HA THR 16 HA THR 16 11.212 0.678 -8.676 126 HB THR 16 HB THR 16 10.862 -1.524 -10.016 127 HG1 THR 16 HG1 THR 16 11.628 -3.324 -9.174 128 HG21 THR 16 HG21 THR 16 12.889 -0.107 -10.147 129 HG22 THR 16 HG22 THR 16 13.275 -1.793 -10.270 130 HG23 THR 16 HG23 THR 16 13.577 -0.916 -8.748 131 H ALA 17 H ALA 17 9.277 0.880 -9.817 132 HA ALA 17 HA ALA 17 6.903 0.797 -8.188 133 HB1 ALA 17 HB1 ALA 17 7.343 1.233 -11.189 134 HB2 ALA 17 HB2 ALA 17 5.815 1.498 -10.333 135 HB3 ALA 17 HB3 ALA 17 7.240 2.494 -9.934 136 H VAL 18 H VAL 18 8.310 -1.418 -10.563 137 HA VAL 18 HA VAL 18 5.871 -2.896 -10.980 138 HB VAL 18 HB VAL 18 7.570 -3.047 -12.625 139 HG11 VAL 18 HG11 VAL 18 9.720 -4.172 -12.325 140 HG12 VAL 18 HG12 VAL 18 9.608 -2.758 -11.297 141 HG13 VAL 18 HG13 VAL 18 9.406 -4.385 -10.593 142 HG21 VAL 18 HG21 VAL 18 6.091 -4.986 -12.317 143 HG22 VAL 18 HG22 VAL 18 7.659 -5.470 -12.945 144 HG23 VAL 18 HG23 VAL 18 7.269 -5.744 -11.223 145 H GLU 19 H GLU 19 8.507 -3.112 -8.574 146 HA GLU 19 HA GLU 19 7.602 -5.594 -7.418 147 HB2 GLU 19 HB2 GLU 19 9.403 -3.322 -6.488 148 HB3 GLU 19 HB3 GLU 19 8.975 -4.639 -5.408 149 HG2 GLU 19 HG2 GLU 19 10.205 -5.149 -8.138 150 HG3 GLU 19 HG3 GLU 19 11.160 -4.856 -6.694 151 H LEU 20 H LEU 20 6.984 -2.130 -6.742 152 HA LEU 20 HA LEU 20 5.295 -2.603 -4.481 153 HB2 LEU 20 HB2 LEU 20 5.529 -0.335 -6.500 154 HB3 LEU 20 HB3 LEU 20 4.317 -0.279 -5.243 155 HG LEU 20 HG LEU 20 7.324 -0.446 -4.830 156 HD11 LEU 20 HD11 LEU 20 6.555 1.717 -5.663 157 HD12 LEU 20 HD12 LEU 20 7.032 1.848 -3.962 158 HD13 LEU 20 HD13 LEU 20 5.309 1.792 -4.379 159 HD21 LEU 20 HD21 LEU 20 6.214 -1.517 -2.885 160 HD22 LEU 20 HD22 LEU 20 5.109 -0.136 -2.741 161 HD23 LEU 20 HD23 LEU 20 6.847 0.066 -2.442 162 H GLN 21 H GLN 21 4.473 -2.161 -7.936 163 HA GLN 21 HA GLN 21 1.667 -2.432 -7.776 164 HB2 GLN 21 HB2 GLN 21 3.817 -3.040 -9.832 165 HB3 GLN 21 HB3 GLN 21 2.173 -3.521 -10.167 166 HG2 GLN 21 HG2 GLN 21 2.662 -0.667 -9.287 167 HG3 GLN 21 HG3 GLN 21 3.154 -1.157 -10.906 168 HE21 GLN 21 HE21 GLN 21 1.341 0.655 -11.294 169 HE22 GLN 21 HE22 GLN 21 -0.200 -0.095 -11.680 170 H ASN 22 H ASN 22 4.212 -4.865 -8.275 171 HA ASN 22 HA ASN 22 2.575 -7.147 -8.379 172 HB2 ASN 22 HB2 ASN 22 4.900 -7.103 -9.149 173 HB3 ASN 22 HB3 ASN 22 5.474 -6.795 -7.514 174 HD21 ASN 22 HD21 ASN 22 6.131 -8.490 -6.414 175 HD22 ASN 22 HD22 ASN 22 5.663 -10.153 -6.597 176 H HIS 23 H HIS 23 4.159 -5.575 -5.528 177 HA HIS 23 HA HIS 23 3.354 -7.616 -3.756 178 HB2 HIS 23 HB2 HIS 23 4.968 -5.358 -3.525 179 HB3 HIS 23 HB3 HIS 23 3.605 -4.957 -2.477 180 HD2 HIS 23 HD2 HIS 23 2.973 -6.951 -0.600 181 HE1 HIS 23 HE1 HIS 23 6.541 -9.219 -1.177 182 HE2 HIS 23 HE2 HIS 23 4.399 -8.919 0.324 183 H PHE 24 H PHE 24 1.578 -4.792 -4.847 184 HA PHE 24 HA PHE 24 -0.599 -5.432 -2.890 185 HB2 PHE 24 HB2 PHE 24 0.004 -2.889 -4.367 186 HB3 PHE 24 HB3 PHE 24 -1.418 -3.166 -3.370 187 HD1 PHE 24 HD2 PHE 24 -1.129 -3.873 -0.920 188 HD2 PHE 24 HD1 PHE 24 2.092 -2.278 -3.282 189 HE1 PHE 24 HE2 PHE 24 0.104 -3.262 1.159 190 HE2 PHE 24 HE1 PHE 24 3.271 -1.572 -1.230 191 HZ PHE 24 HZ PHE 24 2.286 -2.114 1.012 192 H LYS 25 H LYS 25 0.139 -6.506 -5.837 193 HA LYS 25 HA LYS 25 -1.935 -6.025 -7.521 194 HB2 LYS 25 HB2 LYS 25 -1.165 -7.832 -8.677 195 HB3 LYS 25 HB3 LYS 25 0.219 -7.351 -7.742 196 HG2 LYS 25 HG2 LYS 25 -0.415 -9.217 -6.075 197 HG3 LYS 25 HG3 LYS 25 -1.572 -9.763 -7.289 198 HD2 LYS 25 HD2 LYS 25 1.445 -9.800 -7.381 199 HD3 LYS 25 HD3 LYS 25 0.311 -11.128 -7.567 200 HE2 LYS 25 HE2 LYS 25 -0.339 -10.348 -9.780 201 HE3 LYS 25 HE3 LYS 25 0.629 -8.875 -9.590 202 HZ1 LYS 25 HZ1 LYS 25 2.605 -10.207 -9.511 203 HZ2 LYS 25 HZ2 LYS 25 1.732 -10.534 -10.888 204 HZ3 LYS 25 HZ3 LYS 25 1.741 -11.604 -9.636 205 H ASN 26 H ASN 26 -1.968 -8.424 -4.857 206 HA ASN 26 HA ASN 26 -4.578 -9.434 -5.523 207 HB2 ASN 26 HB2 ASN 26 -2.810 -10.684 -4.218 208 HB3 ASN 26 HB3 ASN 26 -3.131 -9.619 -2.847 209 HD21 ASN 26 HD21 ASN 26 -4.972 -11.617 -5.242 210 HD22 ASN 26 HD22 ASN 26 -6.103 -12.263 -4.066 211 H SER 27 H SER 27 -3.518 -6.655 -3.677 212 HA SER 27 HA SER 27 -6.169 -6.305 -2.393 213 HB2 SER 27 HB2 SER 27 -4.931 -4.071 -1.700 214 HB3 SER 27 HB3 SER 27 -4.614 -5.595 -0.880 215 HG SER 27 HG SER 27 -3.045 -4.685 -3.058 216 H SER 28 H SER 28 -4.277 -5.111 -5.111 217 HA SER 28 HA SER 28 -4.605 -3.824 -6.803 218 HB2 SER 28 HB2 SER 28 -6.755 -5.457 -6.747 219 HB3 SER 28 HB3 SER 28 -7.543 -3.882 -6.900 220 HG SER 28 HG SER 28 -6.791 -5.019 -8.861 221 HA PRO 29 HA PRO 29 -5.394 -0.054 -4.299 222 HB2 PRO 29 HB2 PRO 29 -3.141 1.319 -5.000 223 HB3 PRO 29 HB3 PRO 29 -3.122 0.021 -3.768 224 HG2 PRO 29 HG2 PRO 29 -2.439 -0.207 -6.722 225 HG3 PRO 29 HG3 PRO 29 -1.462 -0.780 -5.332 226 HD2 PRO 29 HD2 PRO 29 -3.079 -2.435 -6.696 227 HD3 PRO 29 HD3 PRO 29 -2.923 -2.585 -4.918 228 H ASP 30 H ASP 30 -5.810 2.199 -5.031 229 HA ASP 30 HA ASP 30 -6.836 2.283 -7.776 230 HB2 ASP 30 HB2 ASP 30 -8.211 2.979 -5.786 231 HB3 ASP 30 HB3 ASP 30 -7.022 4.228 -5.422 232 H GLN 31 H GLN 31 -4.459 3.681 -5.593 233 HA GLN 31 HA GLN 31 -3.184 5.057 -7.868 234 HB2 GLN 31 HB2 GLN 31 -4.667 6.491 -6.201 235 HB3 GLN 31 HB3 GLN 31 -3.290 6.297 -5.124 236 HG2 GLN 31 HG2 GLN 31 -2.870 8.361 -6.136 237 HG3 GLN 31 HG3 GLN 31 -1.880 7.281 -7.120 238 HE21 GLN 31 HE21 GLN 31 -5.013 8.958 -6.905 239 HE22 GLN 31 HE22 GLN 31 -5.382 8.896 -8.646 240 H ILE 32 H ILE 32 -0.835 5.317 -7.653 241 HA ILE 32 HA ILE 32 0.417 4.086 -5.268 242 HB ILE 32 HB ILE 32 1.192 3.304 -8.104 243 HG12 ILE 32 HG12 ILE 32 -0.252 1.544 -6.084 244 HG13 ILE 32 HG13 ILE 32 -1.011 2.268 -7.504 245 HG21 ILE 32 HG21 ILE 32 2.696 1.686 -6.979 246 HG22 ILE 32 HG22 ILE 32 3.041 3.302 -6.388 247 HG23 ILE 32 HG23 ILE 32 2.079 2.182 -5.396 248 HD11 ILE 32 HD11 ILE 32 1.200 0.199 -7.583 249 HD12 ILE 32 HD12 ILE 32 -0.479 0.032 -8.112 250 HD13 ILE 32 HD13 ILE 32 0.645 1.117 -8.970 251 H ARG 33 H ARG 33 1.926 5.479 -4.550 252 HA ARG 33 HA ARG 33 3.590 6.987 -6.447 253 HB2 ARG 33 HB2 ARG 33 1.537 8.233 -4.971 254 HB3 ARG 33 HB3 ARG 33 2.956 8.508 -3.984 255 HG2 ARG 33 HG2 ARG 33 2.646 9.208 -6.924 256 HG3 ARG 33 HG3 ARG 33 2.481 10.318 -5.577 257 HD2 ARG 33 HD2 ARG 33 4.804 10.222 -5.023 258 HD3 ARG 33 HD3 ARG 33 5.089 8.833 -6.063 259 HE ARG 33 HE ARG 33 5.295 11.546 -6.821 260 HH11 ARG 33 HH11 ARG 33 4.330 8.409 -8.145 261 HH12 ARG 33 HH12 ARG 33 4.336 8.928 -9.785 262 HH21 ARG 33 HH21 ARG 33 5.737 12.091 -8.984 263 HH22 ARG 33 HH22 ARG 33 5.470 10.910 -10.262 264 H LEU 34 H LEU 34 5.691 6.725 -5.838 265 HA LEU 34 HA LEU 34 6.340 5.650 -3.136 266 HB2 LEU 34 HB2 LEU 34 6.657 4.033 -4.921 267 HB3 LEU 34 HB3 LEU 34 7.611 5.147 -5.867 268 HG LEU 34 HG LEU 34 8.813 3.212 -4.520 269 HD11 LEU 34 HD11 LEU 34 9.805 6.108 -4.460 270 HD12 LEU 34 HD12 LEU 34 10.095 4.866 -5.679 271 HD13 LEU 34 HD13 LEU 34 10.783 4.709 -4.063 272 HD21 LEU 34 HD21 LEU 34 9.408 3.668 -2.258 273 HD22 LEU 34 HD22 LEU 34 7.653 3.760 -2.388 274 HD23 LEU 34 HD23 LEU 34 8.634 5.239 -2.258 275 H ARG 35 H ARG 35 7.362 7.186 -1.916 276 HA ARG 35 HA ARG 35 8.926 9.318 -3.332 277 HB2 ARG 35 HB2 ARG 35 7.493 9.491 -0.660 278 HB3 ARG 35 HB3 ARG 35 8.543 10.711 -1.405 279 HG2 ARG 35 HG2 ARG 35 6.918 10.624 -3.438 280 HG3 ARG 35 HG3 ARG 35 5.810 9.764 -2.342 281 HD2 ARG 35 HD2 ARG 35 6.127 11.663 -0.707 282 HD3 ARG 35 HD3 ARG 35 7.056 12.512 -1.948 283 HE ARG 35 HE ARG 35 4.137 12.044 -1.817 284 HH11 ARG 35 HH11 ARG 35 6.798 13.263 -3.901 285 HH12 ARG 35 HH12 ARG 35 5.718 14.253 -4.817 286 HH21 ARG 35 HH21 ARG 35 2.828 13.357 -3.006 287 HH22 ARG 35 HH22 ARG 35 3.375 14.245 -4.395 288 H ALA 36 H ALA 36 10.714 7.949 -3.475 289 HA ALA 36 HA ALA 36 11.767 6.392 -1.390 290 HB1 ALA 36 HB1 ALA 36 12.460 6.187 -3.766 291 HB2 ALA 36 HB2 ALA 36 13.320 7.732 -3.609 292 HB3 ALA 36 HB3 ALA 36 13.848 6.339 -2.666 293 H ASP 37 H ASP 37 11.896 9.833 -1.758 294 HA ASP 37 HA ASP 37 14.154 10.684 -0.470 295 HB2 ASP 37 HB2 ASP 37 11.285 11.680 -0.402 296 HB3 ASP 37 HB3 ASP 37 12.617 12.583 0.326 297 H LYS 38 H LYS 38 11.422 9.063 0.952 298 HA LYS 38 HA LYS 38 12.756 9.022 3.591 299 HB2 LYS 38 HB2 LYS 38 9.913 9.890 3.141 300 HB3 LYS 38 HB3 LYS 38 10.427 9.166 4.667 301 HG2 LYS 38 HG2 LYS 38 12.254 10.930 4.791 302 HG3 LYS 38 HG3 LYS 38 11.476 11.725 3.419 303 HD2 LYS 38 HD2 LYS 38 9.338 11.829 4.804 304 HD3 LYS 38 HD3 LYS 38 10.270 11.159 6.165 305 HE2 LYS 38 HE2 LYS 38 11.873 13.118 5.902 306 HE3 LYS 38 HE3 LYS 38 10.733 13.809 4.734 307 HZ1 LYS 38 HZ1 LYS 38 10.267 13.310 7.610 308 HZ2 LYS 38 HZ2 LYS 38 9.051 13.749 6.585 309 HZ3 LYS 38 HZ3 LYS 38 10.338 14.732 6.872 310 H GLY 39 H GLY 39 11.823 7.311 1.009 311 HA2 GLY 39 HA2 GLY 39 11.425 5.162 0.510 312 HA3 GLY 39 HA3 GLY 39 12.094 4.738 2.079 313 H ILE 40 H ILE 40 9.136 6.423 0.864 314 HA ILE 40 HA ILE 40 7.452 4.492 2.244 315 HB ILE 40 HB ILE 40 6.022 6.620 2.800 316 HG12 ILE 40 HG12 ILE 40 8.703 7.872 3.083 317 HG13 ILE 40 HG13 ILE 40 7.780 8.119 1.583 318 HG21 ILE 40 HG21 ILE 40 7.281 6.928 5.019 319 HG22 ILE 40 HG22 ILE 40 6.685 5.328 4.607 320 HG23 ILE 40 HG23 ILE 40 8.424 5.719 4.398 321 HD11 ILE 40 HD11 ILE 40 5.907 9.102 2.869 322 HD12 ILE 40 HD12 ILE 40 6.865 8.977 4.360 323 HD13 ILE 40 HD13 ILE 40 7.411 10.023 3.045 324 H ALA 41 H ALA 41 5.286 4.469 1.430 325 HA ALA 41 HA ALA 41 4.874 5.733 -1.206 326 HB1 ALA 41 HB1 ALA 41 5.657 3.396 -1.615 327 HB2 ALA 41 HB2 ALA 41 4.370 2.789 -0.559 328 HB3 ALA 41 HB3 ALA 41 3.961 3.602 -2.077 329 H PHE 42 H PHE 42 2.674 5.877 -1.781 330 HA PHE 42 HA PHE 42 0.697 5.674 0.461 331 HB2 PHE 42 HB2 PHE 42 1.097 7.896 -1.593 332 HB3 PHE 42 HB3 PHE 42 -0.362 7.716 -0.625 333 HD1 PHE 42 HD2 PHE 42 -0.182 7.801 1.927 334 HD2 PHE 42 HD1 PHE 42 2.964 9.099 -0.726 335 HE1 PHE 42 HE2 PHE 42 0.830 9.111 3.771 336 HE2 PHE 42 HE1 PHE 42 3.974 10.413 1.128 337 HZ PHE 42 HZ PHE 42 2.912 10.409 3.376 338 H LEU 43 H LEU 43 -0.785 4.240 -0.082 339 HA LEU 43 HA LEU 43 -1.447 3.871 -2.955 340 HB2 LEU 43 HB2 LEU 43 -1.281 1.759 -0.800 341 HB3 LEU 43 HB3 LEU 43 -1.935 1.545 -2.421 342 HG LEU 43 HG LEU 43 0.512 2.595 -3.069 343 HD11 LEU 43 HD11 LEU 43 1.276 2.700 -0.671 344 HD12 LEU 43 HD12 LEU 43 2.239 1.557 -1.623 345 HD13 LEU 43 HD13 LEU 43 0.960 0.964 -0.542 346 HD21 LEU 43 HD21 LEU 43 -0.365 0.577 -3.979 347 HD22 LEU 43 HD22 LEU 43 -0.163 -0.292 -2.435 348 HD23 LEU 43 HD23 LEU 43 1.271 0.256 -3.349 349 H GLU 44 H GLU 44 -3.275 4.832 -3.233 350 HA GLU 44 HA GLU 44 -5.265 5.181 -1.050 351 HB2 GLU 44 HB2 GLU 44 -5.456 6.023 -3.970 352 HB3 GLU 44 HB3 GLU 44 -6.368 6.655 -2.602 353 HG2 GLU 44 HG2 GLU 44 -4.285 7.692 -1.709 354 HG3 GLU 44 HG3 GLU 44 -3.374 7.080 -3.069 355 H PHE 45 H PHE 45 -7.449 4.536 -1.349 356 HA PHE 45 HA PHE 45 -8.091 2.535 -3.424 357 HB2 PHE 45 HB2 PHE 45 -8.337 2.184 -0.397 358 HB3 PHE 45 HB3 PHE 45 -9.198 1.203 -1.559 359 HD1 PHE 45 HD2 PHE 45 -5.708 2.136 -0.486 360 HD2 PHE 45 HD1 PHE 45 -8.216 -0.748 -2.487 361 HE1 PHE 45 HE2 PHE 45 -3.802 0.581 -0.635 362 HE2 PHE 45 HE1 PHE 45 -6.321 -2.320 -2.570 363 HZ PHE 45 HZ PHE 45 -4.099 -1.676 -1.640 364 H ASP 46 H ASP 46 -10.275 2.658 -3.918 365 HA ASP 46 HA ASP 46 -11.827 4.957 -2.707 366 HB2 ASP 46 HB2 ASP 46 -11.569 5.218 -5.083 367 HB3 ASP 46 HB3 ASP 46 -12.182 3.580 -5.375 368 H ALA 47 H ALA 47 -13.112 4.315 -1.097 369 HA ALA 47 HA ALA 47 -14.000 1.599 -0.749 370 HB1 ALA 47 HB1 ALA 47 -15.130 2.424 1.218 371 HB2 ALA 47 HB2 ALA 47 -13.564 3.250 1.143 372 HB3 ALA 47 HB3 ALA 47 -15.050 4.087 0.644 373 H ASP 48 H ASP 48 -15.291 4.451 -2.345 374 HA ASP 48 HA ASP 48 -18.079 3.749 -2.270 375 HB2 ASP 48 HB2 ASP 48 -16.844 5.964 -2.981 376 HB3 ASP 48 HB3 ASP 48 -16.727 5.213 -4.561 377 H LYS 49 H LYS 49 -15.314 2.860 -4.273 378 HA LYS 49 HA LYS 49 -16.644 1.574 -6.388 379 HB2 LYS 49 HB2 LYS 49 -14.044 2.189 -5.795 380 HB3 LYS 49 HB3 LYS 49 -14.004 0.438 -5.614 381 HG2 LYS 49 HG2 LYS 49 -14.835 0.157 -7.906 382 HG3 LYS 49 HG3 LYS 49 -15.158 1.895 -8.042 383 HD2 LYS 49 HD2 LYS 49 -12.721 2.356 -7.775 384 HD3 LYS 49 HD3 LYS 49 -12.414 0.606 -7.765 385 HE2 LYS 49 HE2 LYS 49 -13.343 0.400 -10.025 386 HE3 LYS 49 HE3 LYS 49 -13.826 2.103 -10.022 387 HZ1 LYS 49 HZ1 LYS 49 -11.015 1.205 -9.867 388 HZ2 LYS 49 HZ2 LYS 49 -11.537 2.747 -10.003 389 HZ3 LYS 49 HZ3 LYS 49 -11.775 1.702 -11.239 390 H ASP 50 H ASP 50 -16.213 0.316 -3.099 391 HA ASP 50 HA ASP 50 -17.827 -1.983 -3.773 392 HB2 ASP 50 HB2 ASP 50 -15.596 -2.724 -4.641 393 HB3 ASP 50 HB3 ASP 50 -14.925 -2.536 -3.028 394 H ARG 51 H ARG 51 -19.127 -1.320 -2.092 395 HA ARG 51 HA ARG 51 -18.423 -0.415 0.398 396 HB2 ARG 51 HB2 ARG 51 -20.812 -1.192 -0.901 397 HB3 ARG 51 HB3 ARG 51 -20.789 -2.176 0.557 398 HG2 ARG 51 HG2 ARG 51 -20.498 0.841 0.463 399 HG3 ARG 51 HG3 ARG 51 -22.007 -0.020 0.776 400 HD2 ARG 51 HD2 ARG 51 -21.044 -0.934 2.858 401 HD3 ARG 51 HD3 ARG 51 -19.527 -0.045 2.547 402 HE ARG 51 HE ARG 51 -21.545 1.838 2.352 403 HH11 ARG 51 HH11 ARG 51 -20.383 -0.272 4.975 404 HH12 ARG 51 HH12 ARG 51 -20.903 0.800 6.226 405 HH21 ARG 51 HH21 ARG 51 -22.357 3.113 3.911 406 HH22 ARG 51 HH22 ARG 51 -22.433 2.598 5.571 407 H THR 52 H THR 52 -18.405 -3.920 -0.416 408 HA THR 52 HA THR 52 -17.668 -4.333 2.448 409 HB THR 52 HB THR 52 -18.632 -6.676 2.079 410 HG1 THR 52 HG1 THR 52 -20.693 -5.730 0.660 411 HG21 THR 52 HG21 THR 52 -20.784 -5.863 2.939 412 HG22 THR 52 HG22 THR 52 -20.425 -4.217 2.377 413 HG23 THR 52 HG23 THR 52 -19.457 -4.969 3.669 414 H GLY 53 H GLY 53 -16.511 -4.479 -0.712 415 HA2 GLY 53 HA2 GLY 53 -14.469 -6.506 -0.088 416 HA3 GLY 53 HA3 GLY 53 -14.768 -5.723 -1.630 417 H ILE 54 H ILE 54 -14.856 -2.983 0.074 418 HA ILE 54 HA ILE 54 -12.163 -2.242 -0.434 419 HB ILE 54 HB ILE 54 -13.894 -0.553 -0.280 420 HG12 ILE 54 HG12 ILE 54 -12.852 1.047 1.374 421 HG13 ILE 54 HG13 ILE 54 -11.910 -0.263 2.040 422 HG21 ILE 54 HG21 ILE 54 -14.189 -1.123 2.695 423 HG22 ILE 54 HG22 ILE 54 -15.036 0.102 1.737 424 HG23 ILE 54 HG23 ILE 54 -15.368 -1.597 1.444 425 HD11 ILE 54 HD11 ILE 54 -10.520 1.012 0.626 426 HD12 ILE 54 HD12 ILE 54 -10.768 -0.539 -0.181 427 HD13 ILE 54 HD13 ILE 54 -11.658 0.907 -0.736 428 H GLN 55 H GLN 55 -13.825 -3.494 2.401 429 HA GLN 55 HA GLN 55 -11.863 -3.311 4.388 430 HB2 GLN 55 HB2 GLN 55 -14.195 -3.833 4.770 431 HB3 GLN 55 HB3 GLN 55 -14.109 -5.317 3.823 432 HG2 GLN 55 HG2 GLN 55 -12.617 -4.808 6.422 433 HG3 GLN 55 HG3 GLN 55 -14.205 -5.576 6.320 434 HE21 GLN 55 HE21 GLN 55 -10.849 -6.099 6.152 435 HE22 GLN 55 HE22 GLN 55 -10.883 -7.785 5.621 436 H ARG 56 H ARG 56 -12.604 -6.204 2.332 437 HA ARG 56 HA ARG 56 -10.367 -7.709 2.975 438 HB2 ARG 56 HB2 ARG 56 -11.671 -7.522 0.216 439 HB3 ARG 56 HB3 ARG 56 -10.521 -8.745 0.743 440 HG2 ARG 56 HG2 ARG 56 -12.288 -9.201 2.663 441 HG3 ARG 56 HG3 ARG 56 -13.413 -8.386 1.545 442 HD2 ARG 56 HD2 ARG 56 -12.599 -9.938 -0.277 443 HD3 ARG 56 HD3 ARG 56 -11.583 -10.744 0.931 444 HE ARG 56 HE ARG 56 -14.337 -10.741 1.738 445 HH11 ARG 56 HH11 ARG 56 -11.906 -12.405 -0.268 446 HH12 ARG 56 HH12 ARG 56 -12.921 -13.787 -0.572 447 HH21 ARG 56 HH21 ARG 56 -15.531 -12.733 1.528 448 HH22 ARG 56 HH22 ARG 56 -14.979 -13.966 0.442 449 H ARG 57 H ARG 57 -10.569 -5.294 0.340 450 HA ARG 57 HA ARG 57 -7.952 -5.631 -0.677 451 HB2 ARG 57 HB2 ARG 57 -9.675 -3.126 -0.514 452 HB3 ARG 57 HB3 ARG 57 -8.204 -3.258 -1.465 453 HG2 ARG 57 HG2 ARG 57 -9.180 -4.955 -2.908 454 HG3 ARG 57 HG3 ARG 57 -10.599 -5.098 -1.897 455 HD2 ARG 57 HD2 ARG 57 -11.281 -2.811 -2.366 456 HD3 ARG 57 HD3 ARG 57 -9.754 -2.475 -3.184 457 HE ARG 57 HE ARG 57 -10.602 -3.211 -5.071 458 HH11 ARG 57 HH11 ARG 57 -12.556 -4.737 -2.525 459 HH12 ARG 57 HH12 ARG 57 -13.885 -5.124 -3.596 460 HH21 ARG 57 HH21 ARG 57 -12.158 -4.014 -6.500 461 HH22 ARG 57 HH22 ARG 57 -13.579 -4.859 -5.926 462 H MET 58 H MET 58 -9.069 -3.438 1.967 463 HA MET 58 HA MET 58 -6.443 -2.397 2.467 464 HB2 MET 58 HB2 MET 58 -9.058 -2.420 4.045 465 HB3 MET 58 HB3 MET 58 -7.546 -1.810 4.732 466 HG2 MET 58 HG2 MET 58 -7.330 -0.441 2.537 467 HG3 MET 58 HG3 MET 58 -9.061 -0.727 2.343 468 HE1 MET 58 HE1 MET 58 -10.615 -0.331 4.679 469 HE2 MET 58 HE2 MET 58 -10.581 1.380 5.220 470 HE3 MET 58 HE3 MET 58 -10.815 1.012 3.507 471 H ASP 59 H ASP 59 -8.268 -5.152 3.896 472 HA ASP 59 HA ASP 59 -6.438 -5.815 5.942 473 HB2 ASP 59 HB2 ASP 59 -8.703 -7.030 4.616 474 HB3 ASP 59 HB3 ASP 59 -7.476 -8.237 4.803 475 H ILE 60 H ILE 60 -6.588 -6.921 2.564 476 HA ILE 60 HA ILE 60 -4.331 -8.652 2.608 477 HB ILE 60 HB ILE 60 -5.698 -7.073 0.392 478 HG12 ILE 60 HG12 ILE 60 -5.790 -10.083 0.745 479 HG13 ILE 60 HG13 ILE 60 -6.837 -9.067 1.734 480 HG21 ILE 60 HG21 ILE 60 -4.596 -8.611 -1.229 481 HG22 ILE 60 HG22 ILE 60 -3.428 -7.571 -0.419 482 HG23 ILE 60 HG23 ILE 60 -3.595 -9.261 0.082 483 HD11 ILE 60 HD11 ILE 60 -6.853 -9.220 -1.299 484 HD12 ILE 60 HD12 ILE 60 -8.115 -9.729 -0.157 485 HD13 ILE 60 HD13 ILE 60 -7.755 -8.013 -0.363 486 H ALA 61 H ALA 61 -4.611 -5.129 2.069 487 HA ALA 61 HA ALA 61 -1.823 -4.814 1.379 488 HB1 ALA 61 HB1 ALA 61 -3.587 -3.191 0.702 489 HB2 ALA 61 HB2 ALA 61 -3.822 -2.751 2.410 490 HB3 ALA 61 HB3 ALA 61 -2.271 -2.433 1.619 491 H LEU 62 H LEU 62 -3.756 -4.569 4.412 492 HA LEU 62 HA LEU 62 -1.635 -3.614 6.080 493 HB2 LEU 62 HB2 LEU 62 -4.235 -5.094 6.589 494 HB3 LEU 62 HB3 LEU 62 -3.111 -4.793 7.906 495 HG LEU 62 HG LEU 62 -4.059 -2.509 6.170 496 HD11 LEU 62 HD11 LEU 62 -6.071 -3.615 7.031 497 HD12 LEU 62 HD12 LEU 62 -5.800 -2.091 7.897 498 HD13 LEU 62 HD13 LEU 62 -5.396 -3.635 8.675 499 HD21 LEU 62 HD21 LEU 62 -2.077 -2.161 7.689 500 HD22 LEU 62 HD22 LEU 62 -3.083 -2.651 9.064 501 HD23 LEU 62 HD23 LEU 62 -3.466 -1.187 8.167 502 H LEU 63 H LEU 63 -2.577 -6.858 5.072 503 HA LEU 63 HA LEU 63 -0.956 -8.297 6.916 504 HB2 LEU 63 HB2 LEU 63 -2.180 -8.926 4.213 505 HB3 LEU 63 HB3 LEU 63 -1.134 -10.103 4.989 506 HG LEU 63 HG LEU 63 -3.558 -8.936 6.419 507 HD11 LEU 63 HD11 LEU 63 -4.345 -10.030 4.371 508 HD12 LEU 63 HD12 LEU 63 -4.749 -11.012 5.776 509 HD13 LEU 63 HD13 LEU 63 -3.380 -11.476 4.739 510 HD21 LEU 63 HD21 LEU 63 -3.375 -10.924 7.825 511 HD22 LEU 63 HD22 LEU 63 -1.845 -10.049 7.858 512 HD23 LEU 63 HD23 LEU 63 -1.994 -11.513 6.873 513 H GLN 64 H GLN 64 0.113 -6.216 4.431 514 HA GLN 64 HA GLN 64 2.560 -7.758 3.893 515 HB2 GLN 64 HB2 GLN 64 1.895 -4.937 3.011 516 HB3 GLN 64 HB3 GLN 64 3.148 -6.004 2.388 517 HG2 GLN 64 HG2 GLN 64 0.151 -6.225 2.027 518 HG3 GLN 64 HG3 GLN 64 1.372 -5.997 0.793 519 HE21 GLN 64 HE21 GLN 64 -0.770 -8.226 1.869 520 HE22 GLN 64 HE22 GLN 64 0.128 -9.696 1.478 521 H HIS 65 H HIS 65 1.495 -5.939 6.511 522 HA HIS 65 HA HIS 65 3.720 -4.307 7.124 523 HB2 HIS 65 HB2 HIS 65 1.476 -4.127 8.151 524 HB3 HIS 65 HB3 HIS 65 1.708 -5.677 8.968 525 HD2 HIS 65 HD2 HIS 65 1.461 -4.446 11.356 526 HE1 HIS 65 HE1 HIS 65 4.804 -1.828 11.033 527 HE2 HIS 65 HE2 HIS 65 3.010 -2.696 12.590 528 H GLY 66 H GLY 66 5.660 -4.955 7.543 529 HA2 GLY 66 HA2 GLY 66 7.419 -6.045 8.542 530 HA3 GLY 66 HA3 GLY 66 6.359 -7.290 9.187 531 H THR 67 H THR 67 5.892 -6.950 5.688 532 HA THR 67 HA THR 67 7.276 -9.526 5.480 533 HB THR 67 HB THR 67 6.439 -9.653 3.278 534 HG1 THR 67 HG1 THR 67 6.449 -7.902 2.308 535 HG21 THR 67 HG21 THR 67 4.898 -10.296 5.003 536 HG22 THR 67 HG22 THR 67 4.033 -9.580 3.634 537 HG23 THR 67 HG23 THR 67 4.269 -8.649 5.130 538 H LEU 68 H LEU 68 8.934 -9.812 3.652 539 HA LEU 68 HA LEU 68 10.833 -7.552 3.748 540 HB2 LEU 68 HB2 LEU 68 11.048 -10.411 4.023 541 HB3 LEU 68 HB3 LEU 68 12.124 -9.878 2.741 542 HG LEU 68 HG LEU 68 11.963 -8.430 5.393 543 HD11 LEU 68 HD11 LEU 68 13.927 -10.622 4.699 544 HD12 LEU 68 HD12 LEU 68 12.622 -10.759 5.893 545 HD13 LEU 68 HD13 LEU 68 13.948 -9.608 6.173 546 HD21 LEU 68 HD21 LEU 68 14.234 -8.688 3.376 547 HD22 LEU 68 HD22 LEU 68 14.143 -7.545 4.731 548 HD23 LEU 68 HD23 LEU 68 13.037 -7.408 3.332 549 H LEU 69 H LEU 69 10.653 -6.416 2.239 550 HA LEU 69 HA LEU 69 10.053 -7.322 -0.573 551 HB2 LEU 69 HB2 LEU 69 8.261 -5.918 0.261 552 HB3 LEU 69 HB3 LEU 69 9.407 -4.705 0.830 553 HG LEU 69 HG LEU 69 10.061 -4.151 -1.481 554 HD11 LEU 69 HD11 LEU 69 9.827 -6.115 -2.776 555 HD12 LEU 69 HD12 LEU 69 8.482 -5.116 -3.325 556 HD13 LEU 69 HD13 LEU 69 8.185 -6.428 -2.184 557 HD21 LEU 69 HD21 LEU 69 7.058 -4.191 -1.098 558 HD22 LEU 69 HD22 LEU 69 7.948 -3.128 -2.193 559 HD23 LEU 69 HD23 LEU 69 8.165 -2.966 -0.441 560 H LYS 70 H LYS 70 11.810 -7.187 -1.862 561 HA LYS 70 HA LYS 70 13.924 -6.771 -2.536 562 HB2 LYS 70 HB2 LYS 70 12.620 -4.110 -2.211 563 HB3 LYS 70 HB3 LYS 70 14.259 -4.198 -2.890 564 HG2 LYS 70 HG2 LYS 70 12.584 -6.151 -4.194 565 HG3 LYS 70 HG3 LYS 70 11.713 -4.619 -4.202 566 HD2 LYS 70 HD2 LYS 70 14.626 -4.815 -5.033 567 HD3 LYS 70 HD3 LYS 70 13.331 -5.276 -6.147 568 HE2 LYS 70 HE2 LYS 70 12.330 -2.910 -5.758 569 HE3 LYS 70 HE3 LYS 70 13.831 -2.550 -4.906 570 HZ1 LYS 70 HZ1 LYS 70 13.512 -3.170 -7.764 571 HZ2 LYS 70 HZ2 LYS 70 14.979 -3.326 -7.037 572 HZ3 LYS 70 HZ3 LYS 70 14.247 -1.885 -7.059 573 H GLU 71 H GLU 71 14.012 -7.600 -0.039 574 HA GLU 71 HA GLU 71 15.443 -8.000 1.592 575 HB2 GLU 71 HB2 GLU 71 17.417 -6.110 0.289 576 HB3 GLU 71 HB3 GLU 71 17.756 -7.389 1.463 577 HG2 GLU 71 HG2 GLU 71 16.844 -9.079 -0.121 578 HG3 GLU 71 HG3 GLU 71 16.605 -7.819 -1.333 579 H LYS 72 H LYS 72 13.570 -5.575 1.728 580 HA LYS 72 HA LYS 72 14.759 -4.450 4.227 581 HB2 LYS 72 HB2 LYS 72 13.252 -3.159 1.944 582 HB3 LYS 72 HB3 LYS 72 13.206 -2.463 3.551 583 HG2 LYS 72 HG2 LYS 72 15.822 -3.072 2.091 584 HG3 LYS 72 HG3 LYS 72 14.957 -1.549 1.931 585 HD2 LYS 72 HD2 LYS 72 15.956 -2.590 4.595 586 HD3 LYS 72 HD3 LYS 72 16.820 -1.443 3.549 587 HE2 LYS 72 HE2 LYS 72 14.760 0.036 3.601 588 HE3 LYS 72 HE3 LYS 72 14.067 -1.050 4.811 589 HZ1 LYS 72 HZ1 LYS 72 15.893 -0.519 6.268 590 HZ2 LYS 72 HZ2 LYS 72 15.143 0.852 5.784 591 HZ3 LYS 72 HZ3 LYS 72 16.577 0.461 5.106 592 H LYS 73 H LYS 73 13.541 -4.880 5.979 593 HA LYS 73 HA LYS 73 10.956 -6.237 5.650 594 HB2 LYS 73 HB2 LYS 73 12.666 -6.796 7.433 595 HB3 LYS 73 HB3 LYS 73 12.353 -5.205 8.146 596 HG2 LYS 73 HG2 LYS 73 10.445 -5.849 9.134 597 HG3 LYS 73 HG3 LYS 73 9.865 -6.731 7.723 598 HD2 LYS 73 HD2 LYS 73 12.131 -7.886 9.390 599 HD3 LYS 73 HD3 LYS 73 10.437 -8.035 9.931 600 HE2 LYS 73 HE2 LYS 73 9.795 -9.303 8.091 601 HE3 LYS 73 HE3 LYS 73 11.193 -8.818 7.120 602 HZ1 LYS 73 HZ1 LYS 73 11.421 -11.084 7.910 603 HZ2 LYS 73 HZ2 LYS 73 11.236 -10.633 9.443 604 HZ3 LYS 73 HZ3 LYS 73 12.584 -10.170 8.623 605 H ILE 74 H ILE 74 9.237 -4.954 5.194 606 HA ILE 74 HA ILE 74 9.457 -2.045 5.757 607 HB ILE 74 HB ILE 74 7.911 -1.642 4.099 608 HG12 ILE 74 HG12 ILE 74 7.406 -4.617 3.711 609 HG13 ILE 74 HG13 ILE 74 6.314 -3.487 4.516 610 HG21 ILE 74 HG21 ILE 74 9.087 -2.305 2.140 611 HG22 ILE 74 HG22 ILE 74 10.280 -2.181 3.441 612 HG23 ILE 74 HG23 ILE 74 9.689 -3.772 2.919 613 HD11 ILE 74 HD11 ILE 74 5.441 -3.507 2.383 614 HD12 ILE 74 HD12 ILE 74 6.487 -2.083 2.314 615 HD13 ILE 74 HD13 ILE 74 7.041 -3.605 1.604 616 H ASN 75 H ASN 75 7.358 -0.891 6.135 617 HA ASN 75 HA ASN 75 5.711 -2.259 8.220 618 HB2 ASN 75 HB2 ASN 75 5.483 0.020 9.253 619 HB3 ASN 75 HB3 ASN 75 7.123 -0.638 9.404 620 HD21 ASN 75 HD21 ASN 75 5.147 2.009 8.182 621 HD22 ASN 75 HD22 ASN 75 6.359 2.731 7.132 622 H VAL 76 H VAL 76 3.485 -1.704 8.241 623 HA VAL 76 HA VAL 76 2.519 0.089 6.132 624 HB VAL 76 HB VAL 76 1.591 -2.802 6.459 625 HG11 VAL 76 HG11 VAL 76 0.600 -0.576 4.637 626 HG12 VAL 76 HG12 VAL 76 0.168 -2.279 4.454 627 HG13 VAL 76 HG13 VAL 76 -0.318 -1.414 5.909 628 HG21 VAL 76 HG21 VAL 76 3.655 -2.821 5.210 629 HG22 VAL 76 HG22 VAL 76 2.333 -3.000 4.053 630 HG23 VAL 76 HG23 VAL 76 3.120 -1.421 4.261 631 H GLU 77 H GLU 77 0.655 1.175 6.738 632 HA GLU 77 HA GLU 77 -1.074 0.350 8.869 633 HB2 GLU 77 HB2 GLU 77 -0.756 2.340 10.293 634 HB3 GLU 77 HB3 GLU 77 0.630 1.247 10.335 635 HG2 GLU 77 HG2 GLU 77 1.827 2.766 8.827 636 HG3 GLU 77 HG3 GLU 77 0.418 3.854 8.771 637 H LEU 78 H LEU 78 -2.613 2.499 9.291 638 HA LEU 78 HA LEU 78 -3.601 3.184 6.577 639 HB2 LEU 78 HB2 LEU 78 -4.648 3.324 9.439 640 HB3 LEU 78 HB3 LEU 78 -5.348 4.363 8.228 641 HG LEU 78 HG LEU 78 -6.703 2.447 8.553 642 HD11 LEU 78 HD11 LEU 78 -7.014 1.733 6.251 643 HD12 LEU 78 HD12 LEU 78 -5.401 2.312 5.797 644 HD13 LEU 78 HD13 LEU 78 -6.653 3.458 6.305 645 HD21 LEU 78 HD21 LEU 78 -6.041 0.179 7.954 646 HD22 LEU 78 HD22 LEU 78 -5.002 0.811 9.243 647 HD23 LEU 78 HD23 LEU 78 -4.401 0.742 7.577 648 H THR 79 H THR 79 -3.953 5.365 5.960 649 HA THR 79 HA THR 79 -2.943 7.484 7.755 650 HB THR 79 HB THR 79 -1.049 6.786 6.502 651 HG1 THR 79 HG1 THR 79 -0.494 8.672 6.755 652 HG21 THR 79 HG21 THR 79 -2.099 6.046 4.355 653 HG22 THR 79 HG22 THR 79 -0.625 7.014 4.202 654 HG23 THR 79 HG23 THR 79 -2.204 7.762 3.906 655 H VAL 80 H VAL 80 -5.134 7.748 8.054 656 HA VAL 80 HA VAL 80 -6.466 9.661 6.494 657 HB VAL 80 HB VAL 80 -6.989 7.933 4.906 658 HG11 VAL 80 HG11 VAL 80 -7.939 5.748 5.451 659 HG12 VAL 80 HG12 VAL 80 -6.334 5.906 6.128 660 HG13 VAL 80 HG13 VAL 80 -7.760 6.070 7.186 661 HG21 VAL 80 HG21 VAL 80 -9.380 7.612 5.020 662 HG22 VAL 80 HG22 VAL 80 -9.396 8.034 6.740 663 HG23 VAL 80 HG23 VAL 80 -8.960 9.247 5.520 664 H GLY 81 H GLY 81 -8.664 10.070 7.754 665 HA2 GLY 81 HA2 GLY 81 -8.935 8.680 10.291 666 HA3 GLY 81 HA3 GLY 81 -8.312 10.338 10.407 667 H GLY 82 H GLY 82 -10.843 9.333 11.424 668 HA2 GLY 82 HA2 GLY 82 -12.629 11.192 11.411 669 HA3 GLY 82 HA3 GLY 82 -12.901 10.656 9.742 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -12.425 12.952 1.003 2 HA2 GLY 1 HA2 GLY 1 -14.548 11.798 0.939 3 HA3 GLY 1 HA3 GLY 1 -13.482 11.133 -0.314 4 H ASN 2 H ASN 2 -15.075 9.298 0.006 5 HA ASN 2 HA ASN 2 -14.935 7.662 2.380 6 HB2 ASN 2 HB2 ASN 2 -16.147 5.984 0.974 7 HB3 ASN 2 HB3 ASN 2 -16.887 7.588 0.791 8 HD21 ASN 2 HD21 ASN 2 -15.063 5.046 -0.790 9 HD22 ASN 2 HD22 ASN 2 -14.896 5.846 -2.369 10 H ARG 3 H ARG 3 -12.645 8.165 0.125 11 HA ARG 3 HA ARG 3 -11.698 5.372 -0.049 12 HB2 ARG 3 HB2 ARG 3 -10.089 6.135 -1.661 13 HB3 ARG 3 HB3 ARG 3 -11.707 6.692 -2.037 14 HG2 ARG 3 HG2 ARG 3 -10.791 8.647 -2.447 15 HG3 ARG 3 HG3 ARG 3 -10.819 8.912 -0.714 16 HD2 ARG 3 HD2 ARG 3 -8.494 8.298 -0.509 17 HD3 ARG 3 HD3 ARG 3 -8.505 7.549 -2.118 18 HE ARG 3 HE ARG 3 -8.827 9.689 -3.139 19 HH11 ARG 3 HH11 ARG 3 -7.371 9.747 0.102 20 HH12 ARG 3 HH12 ARG 3 -6.671 11.318 -0.089 21 HH21 ARG 3 HH21 ARG 3 -8.374 11.924 -3.148 22 HH22 ARG 3 HH22 ARG 3 -7.468 12.665 -1.889 23 H PHE 4 H PHE 4 -10.198 4.487 1.121 24 HA PHE 4 HA PHE 4 -8.947 6.015 3.322 25 HB2 PHE 4 HB2 PHE 4 -9.271 3.041 2.714 26 HB3 PHE 4 HB3 PHE 4 -8.366 3.677 4.075 27 HD1 PHE 4 HD1 PHE 4 -11.860 3.820 2.602 28 HD2 PHE 4 HD2 PHE 4 -9.390 3.935 6.143 29 HE1 PHE 4 HE1 PHE 4 -13.884 3.926 4.017 30 HE2 PHE 4 HE2 PHE 4 -11.410 4.052 7.548 31 HZ PHE 4 HZ PHE 4 -13.671 4.052 6.499 32 H ILE 5 H ILE 5 -6.606 5.318 3.770 33 HA ILE 5 HA ILE 5 -5.028 4.836 1.341 34 HB ILE 5 HB ILE 5 -4.341 7.081 3.268 35 HG12 ILE 5 HG12 ILE 5 -4.927 8.068 0.623 36 HG13 ILE 5 HG13 ILE 5 -6.366 7.336 1.255 37 HG21 ILE 5 HG21 ILE 5 -2.741 7.792 1.511 38 HG22 ILE 5 HG22 ILE 5 -2.380 6.165 2.068 39 HG23 ILE 5 HG23 ILE 5 -3.204 6.404 0.513 40 HD11 ILE 5 HD11 ILE 5 -6.182 8.708 3.275 41 HD12 ILE 5 HD12 ILE 5 -4.670 9.427 2.639 42 HD13 ILE 5 HD13 ILE 5 -6.213 9.690 1.797 43 H VAL 6 H VAL 6 -3.032 3.843 1.778 44 HA VAL 6 HA VAL 6 -2.619 2.789 4.549 45 HB VAL 6 HB VAL 6 -1.860 1.613 1.830 46 HG11 VAL 6 HG11 VAL 6 -1.202 -0.402 3.122 47 HG12 VAL 6 HG12 VAL 6 -0.216 0.991 3.569 48 HG13 VAL 6 HG13 VAL 6 -1.535 0.469 4.637 49 HG21 VAL 6 HG21 VAL 6 -3.901 0.679 3.883 50 HG22 VAL 6 HG22 VAL 6 -4.288 1.399 2.313 51 HG23 VAL 6 HG23 VAL 6 -3.482 -0.171 2.388 52 H PHE 7 H PHE 7 -0.628 3.139 5.492 53 HA PHE 7 HA PHE 7 1.343 4.819 4.019 54 HB2 PHE 7 HB2 PHE 7 0.321 5.773 6.200 55 HB3 PHE 7 HB3 PHE 7 1.036 4.434 6.995 56 HD1 PHE 7 HD1 PHE 7 1.871 7.386 4.827 57 HD2 PHE 7 HD2 PHE 7 3.386 4.466 7.620 58 HE1 PHE 7 HE1 PHE 7 4.085 8.468 4.783 59 HE2 PHE 7 HE2 PHE 7 5.576 5.559 7.585 60 HZ PHE 7 HZ PHE 7 5.947 7.519 6.148 61 H VAL 8 H VAL 8 3.041 3.733 3.289 62 HA VAL 8 HA VAL 8 3.977 1.423 4.947 63 HB VAL 8 HB VAL 8 4.322 1.648 1.949 64 HG11 VAL 8 HG11 VAL 8 4.367 -0.807 3.750 65 HG12 VAL 8 HG12 VAL 8 4.823 -0.729 2.056 66 HG13 VAL 8 HG13 VAL 8 5.813 0.073 3.279 67 HG21 VAL 8 HG21 VAL 8 2.473 -0.050 1.728 68 HG22 VAL 8 HG22 VAL 8 2.050 0.263 3.422 69 HG23 VAL 8 HG23 VAL 8 1.916 1.553 2.205 70 H GLY 9 H GLY 9 6.248 1.470 5.509 71 HA2 GLY 9 HA2 GLY 9 7.938 3.344 3.996 72 HA3 GLY 9 HA3 GLY 9 7.771 3.722 5.685 73 H SER 10 H SER 10 10.219 3.237 4.769 74 HA SER 10 HA SER 10 12.160 2.172 5.390 75 HB2 SER 10 HB2 SER 10 10.669 0.917 7.162 76 HB3 SER 10 HB3 SER 10 10.665 -0.344 5.969 77 HG SER 10 HG SER 10 12.448 -0.965 6.487 78 H LEU 11 H LEU 11 10.404 1.966 2.835 79 HA LEU 11 HA LEU 11 10.728 -0.482 1.541 80 HB2 LEU 11 HB2 LEU 11 10.418 2.367 0.574 81 HB3 LEU 11 HB3 LEU 11 10.660 1.062 -0.577 82 HG LEU 11 HG LEU 11 8.686 -0.115 0.120 83 HD11 LEU 11 HD11 LEU 11 8.379 2.139 2.181 84 HD12 LEU 11 HD12 LEU 11 8.473 0.394 2.534 85 HD13 LEU 11 HD13 LEU 11 7.052 1.058 1.725 86 HD21 LEU 11 HD21 LEU 11 6.966 1.532 -0.517 87 HD22 LEU 11 HD22 LEU 11 8.397 1.625 -1.527 88 HD23 LEU 11 HD23 LEU 11 8.138 2.854 -0.262 89 HA PRO 12 HA PRO 12 14.908 -1.060 0.506 90 HB2 PRO 12 HB2 PRO 12 14.666 -1.738 -2.273 91 HB3 PRO 12 HB3 PRO 12 14.765 -2.836 -0.874 92 HG2 PRO 12 HG2 PRO 12 12.388 -1.988 -2.410 93 HG3 PRO 12 HG3 PRO 12 12.587 -3.419 -1.406 94 HD2 PRO 12 HD2 PRO 12 11.084 -1.252 -0.642 95 HD3 PRO 12 HD3 PRO 12 11.865 -2.372 0.501 96 H ARG 13 H ARG 13 16.708 -0.033 -0.433 97 HA ARG 13 HA ARG 13 16.306 2.748 -0.966 98 HB2 ARG 13 HB2 ARG 13 18.426 1.479 -0.068 99 HB3 ARG 13 HB3 ARG 13 18.803 1.246 -1.773 100 HG2 ARG 13 HG2 ARG 13 19.985 3.191 -1.128 101 HG3 ARG 13 HG3 ARG 13 18.597 3.786 -2.043 102 HD2 ARG 13 HD2 ARG 13 17.431 4.081 0.256 103 HD3 ARG 13 HD3 ARG 13 19.022 3.767 0.976 104 HE ARG 13 HE ARG 13 19.272 5.767 -1.019 105 HH11 ARG 13 HH11 ARG 13 17.888 5.418 2.274 106 HH12 ARG 13 HH12 ARG 13 17.973 7.112 2.601 107 HH21 ARG 13 HH21 ARG 13 19.323 7.926 -0.580 108 HH22 ARG 13 HH22 ARG 13 18.976 8.584 0.980 109 H ASP 14 H ASP 14 16.607 -0.012 -3.102 110 HA ASP 14 HA ASP 14 16.257 1.719 -5.479 111 HB2 ASP 14 HB2 ASP 14 18.298 0.312 -5.194 112 HB3 ASP 14 HB3 ASP 14 17.188 -1.040 -5.438 113 H ILE 15 H ILE 15 14.053 1.087 -3.773 114 HA ILE 15 HA ILE 15 12.459 -1.132 -4.591 115 HB ILE 15 HB ILE 15 11.936 0.123 -2.597 116 HG12 ILE 15 HG12 ILE 15 9.506 0.651 -3.070 117 HG13 ILE 15 HG13 ILE 15 9.826 0.283 -4.762 118 HG21 ILE 15 HG21 ILE 15 12.654 2.372 -3.388 119 HG22 ILE 15 HG22 ILE 15 11.162 2.475 -4.330 120 HG23 ILE 15 HG23 ILE 15 11.127 2.355 -2.548 121 HD11 ILE 15 HD11 ILE 15 8.775 -1.577 -3.773 122 HD12 ILE 15 HD12 ILE 15 10.465 -2.053 -4.002 123 HD13 ILE 15 HD13 ILE 15 9.861 -1.568 -2.381 124 H THR 16 H THR 16 10.939 -1.385 -6.400 125 HA THR 16 HA THR 16 10.951 0.823 -8.371 126 HB THR 16 HB THR 16 10.748 -1.232 -9.989 127 HG1 THR 16 HG1 THR 16 11.720 -3.055 -9.260 128 HG21 THR 16 HG21 THR 16 13.409 -0.365 -8.769 129 HG22 THR 16 HG22 THR 16 12.552 0.443 -10.097 130 HG23 THR 16 HG23 THR 16 13.197 -1.187 -10.334 131 H ALA 17 H ALA 17 9.056 1.171 -9.496 132 HA ALA 17 HA ALA 17 6.697 0.817 -7.904 133 HB1 ALA 17 HB1 ALA 17 5.522 1.749 -9.867 134 HB2 ALA 17 HB2 ALA 17 6.981 2.684 -9.484 135 HB3 ALA 17 HB3 ALA 17 6.990 1.554 -10.854 136 H VAL 18 H VAL 18 8.118 -1.250 -10.428 137 HA VAL 18 HA VAL 18 5.731 -2.770 -10.939 138 HB VAL 18 HB VAL 18 7.688 -2.886 -12.408 139 HG11 VAL 18 HG11 VAL 18 9.512 -2.845 -10.712 140 HG12 VAL 18 HG12 VAL 18 9.106 -4.511 -10.258 141 HG13 VAL 18 HG13 VAL 18 9.691 -4.147 -11.890 142 HG21 VAL 18 HG21 VAL 18 7.665 -5.273 -12.856 143 HG22 VAL 18 HG22 VAL 18 7.114 -5.629 -11.210 144 HG23 VAL 18 HG23 VAL 18 6.041 -4.770 -12.330 145 H GLU 19 H GLU 19 8.164 -2.938 -8.343 146 HA GLU 19 HA GLU 19 7.288 -5.465 -7.234 147 HB2 GLU 19 HB2 GLU 19 8.603 -3.008 -5.915 148 HB3 GLU 19 HB3 GLU 19 8.520 -4.586 -5.204 149 HG2 GLU 19 HG2 GLU 19 9.923 -3.888 -7.794 150 HG3 GLU 19 HG3 GLU 19 10.679 -4.166 -6.237 151 H LEU 20 H LEU 20 6.573 -2.073 -6.526 152 HA LEU 20 HA LEU 20 4.705 -2.522 -4.429 153 HB2 LEU 20 HB2 LEU 20 4.997 -0.252 -6.450 154 HB3 LEU 20 HB3 LEU 20 3.963 -0.162 -5.051 155 HG LEU 20 HG LEU 20 6.991 -0.477 -5.057 156 HD11 LEU 20 HD11 LEU 20 6.115 1.758 -5.575 157 HD12 LEU 20 HD12 LEU 20 6.963 1.714 -4.013 158 HD13 LEU 20 HD13 LEU 20 5.186 1.753 -4.054 159 HD21 LEU 20 HD21 LEU 20 5.050 -0.508 -2.729 160 HD22 LEU 20 HD22 LEU 20 6.774 -0.136 -2.534 161 HD23 LEU 20 HD23 LEU 20 6.274 -1.730 -3.115 162 H GLN 21 H GLN 21 4.149 -1.983 -7.970 163 HA GLN 21 HA GLN 21 1.396 -2.254 -7.963 164 HB2 GLN 21 HB2 GLN 21 2.478 -1.229 -9.772 165 HB3 GLN 21 HB3 GLN 21 3.641 -2.550 -9.975 166 HG2 GLN 21 HG2 GLN 21 2.148 -3.963 -10.936 167 HG3 GLN 21 HG3 GLN 21 0.719 -3.016 -10.417 168 HE21 GLN 21 HE21 GLN 21 -0.260 -2.278 -12.319 169 HE22 GLN 21 HE22 GLN 21 0.581 -1.339 -13.516 170 H ASN 22 H ASN 22 3.985 -4.722 -8.058 171 HA ASN 22 HA ASN 22 2.231 -6.947 -8.617 172 HB2 ASN 22 HB2 ASN 22 4.584 -6.996 -9.262 173 HB3 ASN 22 HB3 ASN 22 5.102 -6.712 -7.595 174 HD21 ASN 22 HD21 ASN 22 5.948 -8.654 -6.654 175 HD22 ASN 22 HD22 ASN 22 5.212 -10.185 -7.011 176 H HIS 23 H HIS 23 3.829 -5.753 -5.612 177 HA HIS 23 HA HIS 23 2.845 -7.857 -3.979 178 HB2 HIS 23 HB2 HIS 23 4.446 -5.449 -3.602 179 HB3 HIS 23 HB3 HIS 23 3.242 -5.565 -2.331 180 HD2 HIS 23 HD2 HIS 23 3.559 -7.439 -0.507 181 HE1 HIS 23 HE1 HIS 23 7.025 -9.303 -2.147 182 HE2 HIS 23 HE2 HIS 23 5.518 -9.161 -0.103 183 H PHE 24 H PHE 24 1.444 -4.691 -4.825 184 HA PHE 24 HA PHE 24 -0.870 -5.247 -3.065 185 HB2 PHE 24 HB2 PHE 24 -0.069 -2.731 -4.447 186 HB3 PHE 24 HB3 PHE 24 -1.537 -2.939 -3.508 187 HD1 PHE 24 HD1 PHE 24 -1.391 -3.635 -1.034 188 HD2 PHE 24 HD2 PHE 24 2.037 -2.346 -3.311 189 HE1 PHE 24 HE1 PHE 24 -0.113 -3.201 1.082 190 HE2 PHE 24 HE2 PHE 24 3.248 -1.884 -1.252 191 HZ PHE 24 HZ PHE 24 2.174 -2.293 0.967 192 H LYS 25 H LYS 25 -0.117 -6.074 -6.236 193 HA LYS 25 HA LYS 25 -2.199 -5.418 -7.811 194 HB2 LYS 25 HB2 LYS 25 -0.006 -6.993 -7.959 195 HB3 LYS 25 HB3 LYS 25 -1.187 -8.262 -7.782 196 HG2 LYS 25 HG2 LYS 25 -2.391 -7.153 -9.758 197 HG3 LYS 25 HG3 LYS 25 -0.962 -6.098 -9.867 198 HD2 LYS 25 HD2 LYS 25 0.490 -8.120 -10.041 199 HD3 LYS 25 HD3 LYS 25 -0.960 -9.145 -10.005 200 HE2 LYS 25 HE2 LYS 25 -1.677 -8.368 -12.166 201 HE3 LYS 25 HE3 LYS 25 -0.475 -7.078 -12.173 202 HZ1 LYS 25 HZ1 LYS 25 0.289 -8.849 -13.512 203 HZ2 LYS 25 HZ2 LYS 25 0.160 -9.959 -12.280 204 HZ3 LYS 25 HZ3 LYS 25 1.263 -8.759 -12.199 205 H ASN 26 H ASN 26 -2.194 -7.991 -5.294 206 HA ASN 26 HA ASN 26 -4.742 -9.094 -6.060 207 HB2 ASN 26 HB2 ASN 26 -3.033 -10.330 -4.709 208 HB3 ASN 26 HB3 ASN 26 -3.347 -9.249 -3.359 209 HD21 ASN 26 HD21 ASN 26 -3.833 -11.347 -2.243 210 HD22 ASN 26 HD22 ASN 26 -5.514 -11.810 -2.294 211 H SER 27 H SER 27 -3.720 -6.789 -3.503 212 HA SER 27 HA SER 27 -6.340 -6.197 -2.544 213 HB2 SER 27 HB2 SER 27 -5.035 -4.074 -1.674 214 HB3 SER 27 HB3 SER 27 -4.726 -5.669 -1.015 215 HG SER 27 HG SER 27 -3.212 -4.626 -3.152 216 H SER 28 H SER 28 -4.780 -5.125 -5.447 217 HA SER 28 HA SER 28 -5.245 -3.548 -6.998 218 HB2 SER 28 HB2 SER 28 -7.053 -5.171 -7.185 219 HB3 SER 28 HB3 SER 28 -8.078 -4.174 -6.143 220 HG SER 28 HG SER 28 -8.519 -2.973 -7.775 221 HA PRO 29 HA PRO 29 -5.667 0.103 -4.114 222 HB2 PRO 29 HB2 PRO 29 -3.440 1.435 -4.909 223 HB3 PRO 29 HB3 PRO 29 -3.388 0.092 -3.727 224 HG2 PRO 29 HG2 PRO 29 -2.872 -0.046 -6.719 225 HG3 PRO 29 HG3 PRO 29 -1.845 -0.690 -5.397 226 HD2 PRO 29 HD2 PRO 29 -3.575 -2.274 -6.721 227 HD3 PRO 29 HD3 PRO 29 -3.351 -2.452 -4.954 228 H ASP 30 H ASP 30 -5.906 2.379 -4.711 229 HA ASP 30 HA ASP 30 -7.367 2.659 -7.267 230 HB2 ASP 30 HB2 ASP 30 -8.513 3.555 -5.375 231 HB3 ASP 30 HB3 ASP 30 -7.065 4.343 -4.769 232 H GLN 31 H GLN 31 -4.525 3.928 -5.521 233 HA GLN 31 HA GLN 31 -3.259 4.606 -8.028 234 HB2 GLN 31 HB2 GLN 31 -4.649 6.654 -6.645 235 HB3 GLN 31 HB3 GLN 31 -2.952 6.898 -6.213 236 HG2 GLN 31 HG2 GLN 31 -2.305 7.234 -8.462 237 HG3 GLN 31 HG3 GLN 31 -3.760 6.464 -9.095 238 HE21 GLN 31 HE21 GLN 31 -5.408 7.791 -9.770 239 HE22 GLN 31 HE22 GLN 31 -5.548 9.489 -9.378 240 H ILE 32 H ILE 32 -0.934 5.204 -7.623 241 HA ILE 32 HA ILE 32 0.210 4.010 -5.163 242 HB ILE 32 HB ILE 32 0.738 3.328 -8.088 243 HG12 ILE 32 HG12 ILE 32 0.212 1.450 -5.752 244 HG13 ILE 32 HG13 ILE 32 -1.083 2.146 -6.666 245 HG21 ILE 32 HG21 ILE 32 2.965 3.557 -6.851 246 HG22 ILE 32 HG22 ILE 32 2.432 2.212 -5.822 247 HG23 ILE 32 HG23 ILE 32 2.638 1.986 -7.559 248 HD11 ILE 32 HD11 ILE 32 -0.272 1.132 -8.757 249 HD12 ILE 32 HD12 ILE 32 1.077 0.381 -7.873 250 HD13 ILE 32 HD13 ILE 32 -0.589 -0.087 -7.512 251 H ARG 33 H ARG 33 1.708 5.284 -4.399 252 HA ARG 33 HA ARG 33 3.272 7.131 -6.131 253 HB2 ARG 33 HB2 ARG 33 1.172 8.036 -4.305 254 HB3 ARG 33 HB3 ARG 33 2.745 8.683 -3.847 255 HG2 ARG 33 HG2 ARG 33 3.130 9.456 -6.177 256 HG3 ARG 33 HG3 ARG 33 1.510 8.904 -6.628 257 HD2 ARG 33 HD2 ARG 33 0.503 10.480 -5.017 258 HD3 ARG 33 HD3 ARG 33 2.120 10.881 -4.404 259 HE ARG 33 HE ARG 33 1.972 11.446 -7.192 260 HH11 ARG 33 HH11 ARG 33 0.732 12.713 -4.105 261 HH12 ARG 33 HH12 ARG 33 1.012 14.373 -4.541 262 HH21 ARG 33 HH21 ARG 33 2.066 13.686 -7.839 263 HH22 ARG 33 HH22 ARG 33 1.576 14.911 -6.729 264 H LEU 34 H LEU 34 5.223 6.264 -5.823 265 HA LEU 34 HA LEU 34 6.135 5.423 -3.129 266 HB2 LEU 34 HB2 LEU 34 6.478 3.936 -5.061 267 HB3 LEU 34 HB3 LEU 34 7.365 5.160 -5.923 268 HG LEU 34 HG LEU 34 8.695 3.163 -4.764 269 HD11 LEU 34 HD11 LEU 34 10.624 4.644 -4.376 270 HD12 LEU 34 HD12 LEU 34 9.596 6.071 -4.274 271 HD13 LEU 34 HD13 LEU 34 9.746 5.211 -5.798 272 HD21 LEU 34 HD21 LEU 34 8.466 5.014 -2.355 273 HD22 LEU 34 HD22 LEU 34 9.291 3.481 -2.498 274 HD23 LEU 34 HD23 LEU 34 7.525 3.517 -2.573 275 H ARG 35 H ARG 35 7.417 6.840 -1.897 276 HA ARG 35 HA ARG 35 8.724 9.097 -3.321 277 HB2 ARG 35 HB2 ARG 35 6.884 9.230 -0.989 278 HB3 ARG 35 HB3 ARG 35 8.390 10.111 -0.784 279 HG2 ARG 35 HG2 ARG 35 6.706 10.441 -3.266 280 HG3 ARG 35 HG3 ARG 35 6.453 11.417 -1.807 281 HD2 ARG 35 HD2 ARG 35 8.698 12.312 -1.921 282 HD3 ARG 35 HD3 ARG 35 9.114 11.255 -3.283 283 HE ARG 35 HE ARG 35 7.317 12.436 -4.567 284 HH11 ARG 35 HH11 ARG 35 9.456 14.244 -2.327 285 HH12 ARG 35 HH12 ARG 35 8.766 15.759 -2.728 286 HH21 ARG 35 HH21 ARG 35 6.835 14.447 -5.382 287 HH22 ARG 35 HH22 ARG 35 7.281 15.918 -4.554 288 H ALA 36 H ALA 36 10.612 8.110 -3.556 289 HA ALA 36 HA ALA 36 12.001 6.593 -1.580 290 HB1 ALA 36 HB1 ALA 36 13.004 8.182 -3.965 291 HB2 ALA 36 HB2 ALA 36 13.933 6.966 -3.070 292 HB3 ALA 36 HB3 ALA 36 12.470 6.498 -3.978 293 H ASP 37 H ASP 37 11.582 10.027 -2.052 294 HA ASP 37 HA ASP 37 13.664 11.322 -0.857 295 HB2 ASP 37 HB2 ASP 37 10.678 11.725 -0.459 296 HB3 ASP 37 HB3 ASP 37 11.893 12.920 0.014 297 H LYS 38 H LYS 38 11.132 9.408 0.688 298 HA LYS 38 HA LYS 38 12.503 9.551 3.308 299 HB2 LYS 38 HB2 LYS 38 9.614 10.097 2.721 300 HB3 LYS 38 HB3 LYS 38 10.088 9.480 4.301 301 HG2 LYS 38 HG2 LYS 38 11.304 11.999 3.097 302 HG3 LYS 38 HG3 LYS 38 9.836 11.985 4.070 303 HD2 LYS 38 HD2 LYS 38 11.108 10.909 5.955 304 HD3 LYS 38 HD3 LYS 38 12.579 11.027 4.982 305 HE2 LYS 38 HE2 LYS 38 12.565 12.875 6.517 306 HE3 LYS 38 HE3 LYS 38 12.322 13.493 4.882 307 HZ1 LYS 38 HZ1 LYS 38 10.866 14.528 6.447 308 HZ2 LYS 38 HZ2 LYS 38 10.174 13.077 6.869 309 HZ3 LYS 38 HZ3 LYS 38 9.988 13.719 5.343 310 H GLY 39 H GLY 39 11.732 7.519 0.827 311 HA2 GLY 39 HA2 GLY 39 11.681 5.244 0.644 312 HA3 GLY 39 HA3 GLY 39 12.200 5.131 2.332 313 H ILE 40 H ILE 40 9.173 6.721 1.213 314 HA ILE 40 HA ILE 40 7.616 4.573 2.454 315 HB ILE 40 HB ILE 40 6.076 6.522 3.184 316 HG12 ILE 40 HG12 ILE 40 7.163 8.614 3.797 317 HG13 ILE 40 HG13 ILE 40 8.635 8.055 3.006 318 HG21 ILE 40 HG21 ILE 40 7.834 7.010 5.197 319 HG22 ILE 40 HG22 ILE 40 6.969 5.492 5.000 320 HG23 ILE 40 HG23 ILE 40 8.671 5.661 4.461 321 HD11 ILE 40 HD11 ILE 40 7.576 8.216 0.842 322 HD12 ILE 40 HD12 ILE 40 5.986 8.517 1.588 323 HD13 ILE 40 HD13 ILE 40 7.286 9.728 1.700 324 H ALA 41 H ALA 41 5.226 4.863 1.830 325 HA ALA 41 HA ALA 41 4.921 5.814 -0.935 326 HB1 ALA 41 HB1 ALA 41 4.075 3.619 -1.674 327 HB2 ALA 41 HB2 ALA 41 5.740 3.477 -1.122 328 HB3 ALA 41 HB3 ALA 41 4.412 2.926 -0.078 329 H PHE 42 H PHE 42 2.715 5.689 -1.653 330 HA PHE 42 HA PHE 42 0.677 5.722 0.500 331 HB2 PHE 42 HB2 PHE 42 0.888 7.662 -1.869 332 HB3 PHE 42 HB3 PHE 42 -0.369 7.664 -0.647 333 HD1 PHE 42 HD1 PHE 42 3.254 8.377 -1.268 334 HD2 PHE 42 HD2 PHE 42 -0.068 8.736 1.454 335 HE1 PHE 42 HE1 PHE 42 4.614 9.840 0.197 336 HE2 PHE 42 HE2 PHE 42 1.314 10.103 2.975 337 HZ PHE 42 HZ PHE 42 3.652 10.681 2.349 338 H LEU 43 H LEU 43 -1.206 4.695 -0.036 339 HA LEU 43 HA LEU 43 -1.712 3.906 -2.834 340 HB2 LEU 43 HB2 LEU 43 -1.616 1.940 -0.485 341 HB3 LEU 43 HB3 LEU 43 -2.301 1.632 -2.071 342 HG LEU 43 HG LEU 43 0.184 2.393 -2.848 343 HD11 LEU 43 HD11 LEU 43 1.878 1.403 -1.361 344 HD12 LEU 43 HD12 LEU 43 0.627 0.965 -0.181 345 HD13 LEU 43 HD13 LEU 43 1.013 2.667 -0.479 346 HD21 LEU 43 HD21 LEU 43 0.725 -0.013 -2.968 347 HD22 LEU 43 HD22 LEU 43 -0.895 0.370 -3.551 348 HD23 LEU 43 HD23 LEU 43 -0.682 -0.365 -1.939 349 H GLU 44 H GLU 44 -3.686 4.731 -3.122 350 HA GLU 44 HA GLU 44 -5.530 5.203 -0.834 351 HB2 GLU 44 HB2 GLU 44 -5.662 5.811 -3.829 352 HB3 GLU 44 HB3 GLU 44 -7.036 6.014 -2.743 353 HG2 GLU 44 HG2 GLU 44 -6.173 8.122 -2.731 354 HG3 GLU 44 HG3 GLU 44 -5.447 7.447 -1.290 355 H PHE 45 H PHE 45 -7.713 4.262 -0.896 356 HA PHE 45 HA PHE 45 -8.230 2.012 -2.732 357 HB2 PHE 45 HB2 PHE 45 -8.213 1.834 0.302 358 HB3 PHE 45 HB3 PHE 45 -8.962 0.662 -0.780 359 HD1 PHE 45 HD1 PHE 45 -7.696 -0.817 -2.214 360 HD2 PHE 45 HD2 PHE 45 -5.711 1.939 0.432 361 HE1 PHE 45 HE1 PHE 45 -5.595 -2.092 -2.475 362 HE2 PHE 45 HE2 PHE 45 -3.592 0.696 0.119 363 HZ PHE 45 HZ PHE 45 -3.533 -1.358 -1.274 364 H ASP 46 H ASP 46 -9.989 2.802 -3.724 365 HA ASP 46 HA ASP 46 -11.866 4.649 -2.514 366 HB2 ASP 46 HB2 ASP 46 -11.368 4.899 -4.824 367 HB3 ASP 46 HB3 ASP 46 -11.911 3.246 -5.169 368 H ALA 47 H ALA 47 -13.244 4.056 -0.993 369 HA ALA 47 HA ALA 47 -14.141 1.403 -0.647 370 HB1 ALA 47 HB1 ALA 47 -15.630 2.179 1.021 371 HB2 ALA 47 HB2 ALA 47 -14.119 3.067 1.174 372 HB3 ALA 47 HB3 ALA 47 -15.551 3.839 0.436 373 H ASP 48 H ASP 48 -15.569 4.007 -2.658 374 HA ASP 48 HA ASP 48 -18.067 2.577 -2.831 375 HB2 ASP 48 HB2 ASP 48 -17.690 5.109 -3.099 376 HB3 ASP 48 HB3 ASP 48 -17.228 4.733 -4.764 377 H LYS 49 H LYS 49 -15.028 2.464 -4.610 378 HA LYS 49 HA LYS 49 -15.989 1.290 -6.991 379 HB2 LYS 49 HB2 LYS 49 -13.477 1.811 -5.860 380 HB3 LYS 49 HB3 LYS 49 -13.488 0.069 -5.976 381 HG2 LYS 49 HG2 LYS 49 -13.999 2.014 -8.248 382 HG3 LYS 49 HG3 LYS 49 -12.476 1.193 -7.897 383 HD2 LYS 49 HD2 LYS 49 -13.623 -1.013 -8.311 384 HD3 LYS 49 HD3 LYS 49 -15.050 -0.090 -8.865 385 HE2 LYS 49 HE2 LYS 49 -13.568 1.124 -10.488 386 HE3 LYS 49 HE3 LYS 49 -12.207 0.119 -9.985 387 HZ1 LYS 49 HZ1 LYS 49 -13.400 -1.811 -10.798 388 HZ2 LYS 49 HZ2 LYS 49 -13.206 -0.720 -11.988 389 HZ3 LYS 49 HZ3 LYS 49 -14.677 -0.884 -11.270 390 H ASP 50 H ASP 50 -15.562 -0.142 -3.786 391 HA ASP 50 HA ASP 50 -17.118 -2.483 -4.593 392 HB2 ASP 50 HB2 ASP 50 -14.751 -3.039 -5.246 393 HB3 ASP 50 HB3 ASP 50 -14.299 -2.935 -3.557 394 H ARG 51 H ARG 51 -18.540 -1.455 -3.040 395 HA ARG 51 HA ARG 51 -17.894 -0.714 -0.434 396 HB2 ARG 51 HB2 ARG 51 -20.118 -0.428 -1.652 397 HB3 ARG 51 HB3 ARG 51 -20.462 -2.135 -1.254 398 HG2 ARG 51 HG2 ARG 51 -20.546 -1.693 1.082 399 HG3 ARG 51 HG3 ARG 51 -19.767 -0.126 0.907 400 HD2 ARG 51 HD2 ARG 51 -22.045 0.307 1.354 401 HD3 ARG 51 HD3 ARG 51 -21.793 0.681 -0.357 402 HE ARG 51 HE ARG 51 -22.723 -2.053 0.115 403 HH11 ARG 51 HH11 ARG 51 -23.921 1.294 -0.152 404 HH12 ARG 51 HH12 ARG 51 -25.491 0.790 -0.686 405 HH21 ARG 51 HH21 ARG 51 -24.838 -2.654 -0.284 406 HH22 ARG 51 HH22 ARG 51 -26.062 -1.433 -0.564 407 H THR 52 H THR 52 -18.604 -4.016 -1.649 408 HA THR 52 HA THR 52 -18.449 -5.081 1.036 409 HB THR 52 HB THR 52 -18.862 -7.220 -0.602 410 HG1 THR 52 HG1 THR 52 -19.600 -6.636 -2.493 411 HG21 THR 52 HG21 THR 52 -20.935 -5.150 0.141 412 HG22 THR 52 HG22 THR 52 -20.335 -6.427 1.217 413 HG23 THR 52 HG23 THR 52 -21.239 -6.863 -0.246 414 H GLY 53 H GLY 53 -16.084 -4.312 -1.264 415 HA2 GLY 53 HA2 GLY 53 -14.313 -6.550 -0.317 416 HA3 GLY 53 HA3 GLY 53 -14.242 -5.838 -1.905 417 H ILE 54 H ILE 54 -14.649 -3.042 -0.376 418 HA ILE 54 HA ILE 54 -12.003 -2.227 -0.472 419 HB ILE 54 HB ILE 54 -13.805 -0.678 -0.480 420 HG12 ILE 54 HG12 ILE 54 -13.113 0.978 1.280 421 HG13 ILE 54 HG13 ILE 54 -12.167 -0.268 2.068 422 HG21 ILE 54 HG21 ILE 54 -14.492 -1.347 2.414 423 HG22 ILE 54 HG22 ILE 54 -15.255 -0.131 1.398 424 HG23 ILE 54 HG23 ILE 54 -15.451 -1.829 0.992 425 HD11 ILE 54 HD11 ILE 54 -10.811 1.224 0.663 426 HD12 ILE 54 HD12 ILE 54 -10.717 -0.451 0.096 427 HD13 ILE 54 HD13 ILE 54 -11.726 0.725 -0.779 428 H GLN 55 H GLN 55 -13.778 -3.476 2.328 429 HA GLN 55 HA GLN 55 -11.804 -3.158 4.298 430 HB2 GLN 55 HB2 GLN 55 -14.135 -3.636 4.719 431 HB3 GLN 55 HB3 GLN 55 -14.036 -5.189 3.912 432 HG2 GLN 55 HG2 GLN 55 -12.402 -4.546 6.406 433 HG3 GLN 55 HG3 GLN 55 -14.065 -5.144 6.484 434 HE21 GLN 55 HE21 GLN 55 -10.768 -6.137 6.186 435 HE22 GLN 55 HE22 GLN 55 -11.053 -7.726 5.513 436 H ARG 56 H ARG 56 -12.410 -5.994 2.120 437 HA ARG 56 HA ARG 56 -10.233 -7.591 2.938 438 HB2 ARG 56 HB2 ARG 56 -11.692 -7.451 0.267 439 HB3 ARG 56 HB3 ARG 56 -10.251 -8.425 0.476 440 HG2 ARG 56 HG2 ARG 56 -12.114 -9.847 0.769 441 HG3 ARG 56 HG3 ARG 56 -11.306 -9.670 2.328 442 HD2 ARG 56 HD2 ARG 56 -12.988 -8.001 3.012 443 HD3 ARG 56 HD3 ARG 56 -13.786 -8.124 1.444 444 HE ARG 56 HE ARG 56 -13.881 -9.947 3.720 445 HH11 ARG 56 HH11 ARG 56 -14.511 -9.843 0.145 446 HH12 ARG 56 HH12 ARG 56 -15.611 -11.160 0.269 447 HH21 ARG 56 HH21 ARG 56 -15.219 -11.642 3.723 448 HH22 ARG 56 HH22 ARG 56 -16.087 -12.209 2.329 449 H ARG 57 H ARG 57 -10.397 -5.114 0.299 450 HA ARG 57 HA ARG 57 -7.764 -5.382 -0.637 451 HB2 ARG 57 HB2 ARG 57 -9.426 -2.834 -0.414 452 HB3 ARG 57 HB3 ARG 57 -7.951 -3.027 -1.339 453 HG2 ARG 57 HG2 ARG 57 -9.083 -4.838 -2.696 454 HG3 ARG 57 HG3 ARG 57 -10.577 -4.487 -1.830 455 HD2 ARG 57 HD2 ARG 57 -10.773 -2.317 -2.696 456 HD3 ARG 57 HD3 ARG 57 -9.070 -2.235 -3.125 457 HE ARG 57 HE ARG 57 -9.618 -2.774 -5.159 458 HH11 ARG 57 HH11 ARG 57 -11.707 -4.948 -3.310 459 HH12 ARG 57 HH12 ARG 57 -13.000 -4.984 -4.465 460 HH21 ARG 57 HH21 ARG 57 -11.092 -3.102 -6.867 461 HH22 ARG 57 HH22 ARG 57 -12.555 -3.992 -6.638 462 H MET 58 H MET 58 -8.944 -3.210 1.983 463 HA MET 58 HA MET 58 -6.362 -2.241 2.704 464 HB2 MET 58 HB2 MET 58 -9.058 -2.397 4.104 465 HB3 MET 58 HB3 MET 58 -7.611 -1.948 5.007 466 HG2 MET 58 HG2 MET 58 -7.164 -0.192 3.229 467 HG3 MET 58 HG3 MET 58 -8.810 -0.468 2.648 468 HE1 MET 58 HE1 MET 58 -10.902 -0.425 4.479 469 HE2 MET 58 HE2 MET 58 -11.010 1.213 5.190 470 HE3 MET 58 HE3 MET 58 -10.641 1.043 3.467 471 H ASP 59 H ASP 59 -8.205 -5.119 3.840 472 HA ASP 59 HA ASP 59 -6.530 -5.834 5.999 473 HB2 ASP 59 HB2 ASP 59 -8.659 -7.060 4.455 474 HB3 ASP 59 HB3 ASP 59 -7.441 -8.247 4.883 475 H ILE 60 H ILE 60 -6.500 -6.870 2.591 476 HA ILE 60 HA ILE 60 -4.240 -8.588 2.735 477 HB ILE 60 HB ILE 60 -5.406 -6.975 0.436 478 HG12 ILE 60 HG12 ILE 60 -5.815 -9.954 0.773 479 HG13 ILE 60 HG13 ILE 60 -6.843 -8.832 1.633 480 HG21 ILE 60 HG21 ILE 60 -3.119 -7.665 -0.181 481 HG22 ILE 60 HG22 ILE 60 -3.486 -9.344 0.262 482 HG23 ILE 60 HG23 ILE 60 -4.291 -8.586 -1.122 483 HD11 ILE 60 HD11 ILE 60 -7.405 -7.689 -0.542 484 HD12 ILE 60 HD12 ILE 60 -6.531 -8.986 -1.388 485 HD13 ILE 60 HD13 ILE 60 -7.963 -9.356 -0.410 486 H ALA 61 H ALA 61 -4.517 -5.055 2.212 487 HA ALA 61 HA ALA 61 -1.704 -4.717 1.654 488 HB1 ALA 61 HB1 ALA 61 -3.436 -3.102 0.902 489 HB2 ALA 61 HB2 ALA 61 -3.803 -2.708 2.596 490 HB3 ALA 61 HB3 ALA 61 -2.213 -2.321 1.924 491 H LEU 62 H LEU 62 -3.752 -4.517 4.603 492 HA LEU 62 HA LEU 62 -1.754 -3.481 6.364 493 HB2 LEU 62 HB2 LEU 62 -4.336 -5.017 6.732 494 HB3 LEU 62 HB3 LEU 62 -3.297 -4.736 8.116 495 HG LEU 62 HG LEU 62 -4.165 -2.427 6.339 496 HD11 LEU 62 HD11 LEU 62 -5.998 -1.999 7.957 497 HD12 LEU 62 HD12 LEU 62 -5.621 -3.524 8.780 498 HD13 LEU 62 HD13 LEU 62 -6.222 -3.535 7.113 499 HD21 LEU 62 HD21 LEU 62 -3.281 -2.593 9.259 500 HD22 LEU 62 HD22 LEU 62 -3.733 -1.119 8.397 501 HD23 LEU 62 HD23 LEU 62 -2.295 -2.003 7.915 502 H LEU 63 H LEU 63 -2.632 -6.756 5.433 503 HA LEU 63 HA LEU 63 -0.990 -8.177 7.250 504 HB2 LEU 63 HB2 LEU 63 -2.221 -8.798 4.554 505 HB3 LEU 63 HB3 LEU 63 -1.268 -10.006 5.401 506 HG LEU 63 HG LEU 63 -3.673 -8.679 6.689 507 HD11 LEU 63 HD11 LEU 63 -3.476 -11.330 5.188 508 HD12 LEU 63 HD12 LEU 63 -4.355 -9.881 4.669 509 HD13 LEU 63 HD13 LEU 63 -4.897 -10.735 6.109 510 HD21 LEU 63 HD21 LEU 63 -2.025 -11.142 7.410 511 HD22 LEU 63 HD22 LEU 63 -3.532 -10.633 8.219 512 HD23 LEU 63 HD23 LEU 63 -2.108 -9.627 8.318 513 H GLN 64 H GLN 64 0.219 -6.071 4.983 514 HA GLN 64 HA GLN 64 2.567 -7.746 4.327 515 HB2 GLN 64 HB2 GLN 64 2.008 -4.908 3.453 516 HB3 GLN 64 HB3 GLN 64 3.226 -6.019 2.836 517 HG2 GLN 64 HG2 GLN 64 0.233 -6.119 2.432 518 HG3 GLN 64 HG3 GLN 64 1.477 -5.813 1.231 519 HE21 GLN 64 HE21 GLN 64 -0.721 -7.961 1.750 520 HE22 GLN 64 HE22 GLN 64 0.148 -9.397 1.162 521 H HIS 65 H HIS 65 1.637 -5.974 7.025 522 HA HIS 65 HA HIS 65 3.822 -4.270 7.531 523 HB2 HIS 65 HB2 HIS 65 1.633 -4.245 8.692 524 HB3 HIS 65 HB3 HIS 65 2.045 -5.744 9.509 525 HD2 HIS 65 HD2 HIS 65 1.901 -4.547 11.852 526 HE1 HIS 65 HE1 HIS 65 5.024 -1.697 11.364 527 HE2 HIS 65 HE2 HIS 65 3.386 -2.713 13.014 528 H GLY 66 H GLY 66 5.824 -4.820 7.722 529 HA2 GLY 66 HA2 GLY 66 7.743 -5.778 8.782 530 HA3 GLY 66 HA3 GLY 66 6.742 -7.063 9.449 531 H THR 67 H THR 67 5.983 -6.708 6.111 532 HA THR 67 HA THR 67 7.325 -9.203 5.589 533 HB THR 67 HB THR 67 6.603 -8.894 3.229 534 HG1 THR 67 HG1 THR 67 5.298 -6.584 4.230 535 HG21 THR 67 HG21 THR 67 4.223 -9.229 3.700 536 HG22 THR 67 HG22 THR 67 4.444 -8.603 5.360 537 HG23 THR 67 HG23 THR 67 5.246 -10.092 4.856 538 H LEU 68 H LEU 68 8.856 -9.587 3.910 539 HA LEU 68 HA LEU 68 11.028 -7.579 3.892 540 HB2 LEU 68 HB2 LEU 68 11.085 -10.569 3.336 541 HB3 LEU 68 HB3 LEU 68 12.453 -9.463 3.382 542 HG LEU 68 HG LEU 68 10.720 -10.382 5.713 543 HD11 LEU 68 HD11 LEU 68 12.498 -11.894 5.158 544 HD12 LEU 68 HD12 LEU 68 12.905 -11.023 6.663 545 HD13 LEU 68 HD13 LEU 68 13.693 -10.595 5.104 546 HD21 LEU 68 HD21 LEU 68 11.038 -8.111 6.179 547 HD22 LEU 68 HD22 LEU 68 12.726 -8.100 5.625 548 HD23 LEU 68 HD23 LEU 68 12.264 -8.938 7.127 549 H LEU 69 H LEU 69 10.994 -6.384 2.125 550 HA LEU 69 HA LEU 69 10.208 -7.597 -0.477 551 HB2 LEU 69 HB2 LEU 69 8.595 -5.944 0.324 552 HB3 LEU 69 HB3 LEU 69 9.883 -4.758 0.562 553 HG LEU 69 HG LEU 69 10.315 -4.658 -1.845 554 HD11 LEU 69 HD11 LEU 69 8.776 -5.863 -3.447 555 HD12 LEU 69 HD12 LEU 69 8.120 -6.763 -2.081 556 HD13 LEU 69 HD13 LEU 69 9.819 -6.965 -2.566 557 HD21 LEU 69 HD21 LEU 69 8.169 -3.685 -2.579 558 HD22 LEU 69 HD22 LEU 69 8.552 -3.204 -0.913 559 HD23 LEU 69 HD23 LEU 69 7.339 -4.462 -1.221 560 H LYS 70 H LYS 70 11.976 -7.929 -1.666 561 HA LYS 70 HA LYS 70 14.092 -7.824 -2.479 562 HB2 LYS 70 HB2 LYS 70 13.872 -4.847 -2.344 563 HB3 LYS 70 HB3 LYS 70 14.782 -5.835 -3.464 564 HG2 LYS 70 HG2 LYS 70 12.377 -6.781 -4.106 565 HG3 LYS 70 HG3 LYS 70 11.821 -5.231 -3.468 566 HD2 LYS 70 HD2 LYS 70 14.022 -5.509 -5.534 567 HD3 LYS 70 HD3 LYS 70 12.345 -5.473 -5.985 568 HE2 LYS 70 HE2 LYS 70 12.147 -3.066 -5.102 569 HE3 LYS 70 HE3 LYS 70 13.834 -3.238 -4.550 570 HZ1 LYS 70 HZ1 LYS 70 14.100 -2.279 -6.608 571 HZ2 LYS 70 HZ2 LYS 70 12.846 -3.057 -7.304 572 HZ3 LYS 70 HZ3 LYS 70 14.242 -3.852 -7.040 573 H GLU 71 H GLU 71 14.320 -8.470 0.006 574 HA GLU 71 HA GLU 71 15.592 -8.595 1.856 575 HB2 GLU 71 HB2 GLU 71 17.779 -7.357 0.167 576 HB3 GLU 71 HB3 GLU 71 17.964 -8.223 1.702 577 HG2 GLU 71 HG2 GLU 71 16.647 -10.145 0.497 578 HG3 GLU 71 HG3 GLU 71 17.141 -9.319 -0.983 579 H LYS 72 H LYS 72 13.876 -6.261 1.748 580 HA LYS 72 HA LYS 72 15.155 -4.757 3.885 581 HB2 LYS 72 HB2 LYS 72 14.619 -3.780 1.206 582 HB3 LYS 72 HB3 LYS 72 13.518 -2.955 2.302 583 HG2 LYS 72 HG2 LYS 72 16.396 -3.293 3.129 584 HG3 LYS 72 HG3 LYS 72 16.074 -2.132 1.868 585 HD2 LYS 72 HD2 LYS 72 14.765 -0.743 3.201 586 HD3 LYS 72 HD3 LYS 72 14.362 -2.012 4.367 587 HE2 LYS 72 HE2 LYS 72 17.257 -1.454 4.179 588 HE3 LYS 72 HE3 LYS 72 16.318 -0.031 4.655 589 HZ1 LYS 72 HZ1 LYS 72 15.953 -2.627 6.005 590 HZ2 LYS 72 HZ2 LYS 72 15.534 -1.145 6.570 591 HZ3 LYS 72 HZ3 LYS 72 17.120 -1.599 6.447 592 H LYS 73 H LYS 73 13.922 -4.854 5.616 593 HA LYS 73 HA LYS 73 11.232 -5.972 5.410 594 HB2 LYS 73 HB2 LYS 73 12.909 -6.456 7.297 595 HB3 LYS 73 HB3 LYS 73 12.613 -4.808 7.868 596 HG2 LYS 73 HG2 LYS 73 10.466 -5.193 8.502 597 HG3 LYS 73 HG3 LYS 73 10.190 -6.476 7.363 598 HD2 LYS 73 HD2 LYS 73 10.820 -8.109 8.758 599 HD3 LYS 73 HD3 LYS 73 12.278 -7.285 9.263 600 HE2 LYS 73 HE2 LYS 73 9.474 -6.939 10.384 601 HE3 LYS 73 HE3 LYS 73 10.886 -7.640 11.184 602 HZ1 LYS 73 HZ1 LYS 73 11.910 -5.363 10.976 603 HZ2 LYS 73 HZ2 LYS 73 10.628 -5.468 12.007 604 HZ3 LYS 73 HZ3 LYS 73 10.425 -4.805 10.524 605 H ILE 74 H ILE 74 9.396 -4.814 5.641 606 HA ILE 74 HA ILE 74 9.622 -1.894 6.021 607 HB ILE 74 HB ILE 74 8.147 -1.427 4.275 608 HG12 ILE 74 HG12 ILE 74 7.891 -4.463 3.915 609 HG13 ILE 74 HG13 ILE 74 6.622 -3.359 4.442 610 HG21 ILE 74 HG21 ILE 74 10.087 -3.464 3.107 611 HG22 ILE 74 HG22 ILE 74 9.475 -1.980 2.367 612 HG23 ILE 74 HG23 ILE 74 10.588 -1.889 3.740 613 HD11 ILE 74 HD11 ILE 74 7.912 -3.470 1.676 614 HD12 ILE 74 HD12 ILE 74 6.304 -3.963 2.148 615 HD13 ILE 74 HD13 ILE 74 6.730 -2.238 2.198 616 H ASN 75 H ASN 75 7.408 -0.823 6.316 617 HA ASN 75 HA ASN 75 5.839 -2.389 8.315 618 HB2 ASN 75 HB2 ASN 75 5.518 -0.013 9.356 619 HB3 ASN 75 HB3 ASN 75 6.965 -0.947 9.764 620 HD21 ASN 75 HD21 ASN 75 5.661 1.652 7.702 621 HD22 ASN 75 HD22 ASN 75 7.161 2.521 7.488 622 H VAL 76 H VAL 76 3.623 -1.668 8.603 623 HA VAL 76 HA VAL 76 2.548 0.068 6.473 624 HB VAL 76 HB VAL 76 1.598 -2.718 7.233 625 HG11 VAL 76 HG11 VAL 76 -0.102 -2.321 5.380 626 HG12 VAL 76 HG12 VAL 76 -0.369 -1.327 6.809 627 HG13 VAL 76 HG13 VAL 76 0.408 -0.624 5.374 628 HG21 VAL 76 HG21 VAL 76 1.956 -3.331 4.934 629 HG22 VAL 76 HG22 VAL 76 2.564 -1.713 4.558 630 HG23 VAL 76 HG23 VAL 76 3.488 -2.788 5.640 631 H GLU 77 H GLU 77 0.570 1.171 7.157 632 HA GLU 77 HA GLU 77 -0.773 0.733 9.618 633 HB2 GLU 77 HB2 GLU 77 -0.242 2.954 10.630 634 HB3 GLU 77 HB3 GLU 77 1.086 1.792 10.692 635 HG2 GLU 77 HG2 GLU 77 1.873 3.106 8.523 636 HG3 GLU 77 HG3 GLU 77 0.769 4.351 9.143 637 H LEU 78 H LEU 78 -2.321 2.822 9.917 638 HA LEU 78 HA LEU 78 -3.542 3.310 7.256 639 HB2 LEU 78 HB2 LEU 78 -4.455 3.371 10.141 640 HB3 LEU 78 HB3 LEU 78 -5.204 4.524 9.078 641 HG LEU 78 HG LEU 78 -6.519 2.496 9.368 642 HD11 LEU 78 HD11 LEU 78 -6.867 3.835 7.384 643 HD12 LEU 78 HD12 LEU 78 -7.106 2.130 7.024 644 HD13 LEU 78 HD13 LEU 78 -5.609 2.933 6.505 645 HD21 LEU 78 HD21 LEU 78 -4.631 0.874 9.500 646 HD22 LEU 78 HD22 LEU 78 -4.375 1.064 7.755 647 HD23 LEU 78 HD23 LEU 78 -5.905 0.385 8.380 648 H THR 79 H THR 79 -4.073 5.420 6.539 649 HA THR 79 HA THR 79 -2.998 7.709 8.081 650 HB THR 79 HB THR 79 -1.203 7.200 6.712 651 HG1 THR 79 HG1 THR 79 -2.324 9.197 5.157 652 HG21 THR 79 HG21 THR 79 -1.528 5.829 5.052 653 HG22 THR 79 HG22 THR 79 -1.567 7.322 4.093 654 HG23 THR 79 HG23 THR 79 -3.056 6.490 4.636 655 H VAL 80 H VAL 80 -5.133 8.021 8.619 656 HA VAL 80 HA VAL 80 -6.541 9.757 6.869 657 HB VAL 80 HB VAL 80 -7.337 7.943 5.606 658 HG11 VAL 80 HG11 VAL 80 -8.045 6.441 8.151 659 HG12 VAL 80 HG12 VAL 80 -8.424 5.947 6.493 660 HG13 VAL 80 HG13 VAL 80 -6.740 6.050 7.002 661 HG21 VAL 80 HG21 VAL 80 -9.087 9.551 6.211 662 HG22 VAL 80 HG22 VAL 80 -9.729 7.916 5.958 663 HG23 VAL 80 HG23 VAL 80 -9.538 8.550 7.603 664 H GLY 81 H GLY 81 -6.670 7.634 9.673 665 HA2 GLY 81 HA2 GLY 81 -7.446 9.902 11.356 666 HA3 GLY 81 HA3 GLY 81 -8.682 8.653 11.203 667 H GLY 82 H GLY 82 -7.436 6.300 11.229 668 HA2 GLY 82 HA2 GLY 82 -5.535 5.233 12.458 669 HA3 GLY 82 HA3 GLY 82 -6.063 6.195 13.868 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -15.776 12.920 1.241 2 HA2 GLY 1 HA2 GLY 1 -13.589 11.620 -0.254 3 HA3 GLY 1 HA3 GLY 1 -13.477 12.132 1.438 4 H ASN 2 H ASN 2 -13.650 9.478 -0.357 5 HA ASN 2 HA ASN 2 -14.702 7.804 1.754 6 HB2 ASN 2 HB2 ASN 2 -16.201 6.483 0.199 7 HB3 ASN 2 HB3 ASN 2 -16.823 8.029 0.741 8 HD21 ASN 2 HD21 ASN 2 -15.006 6.615 -2.139 9 HD22 ASN 2 HD22 ASN 2 -15.791 7.659 -3.261 10 H ARG 3 H ARG 3 -12.126 8.177 1.055 11 HA ARG 3 HA ARG 3 -11.502 5.585 -0.177 12 HB2 ARG 3 HB2 ARG 3 -9.591 6.423 -1.385 13 HB3 ARG 3 HB3 ARG 3 -11.120 6.956 -2.067 14 HG2 ARG 3 HG2 ARG 3 -10.758 9.170 -1.599 15 HG3 ARG 3 HG3 ARG 3 -9.710 8.847 -0.201 16 HD2 ARG 3 HD2 ARG 3 -7.853 8.374 -1.450 17 HD3 ARG 3 HD3 ARG 3 -8.752 7.972 -2.904 18 HE ARG 3 HE ARG 3 -7.719 10.551 -2.163 19 HH11 ARG 3 HH11 ARG 3 -10.164 8.895 -4.110 20 HH12 ARG 3 HH12 ARG 3 -10.593 10.277 -5.055 21 HH21 ARG 3 HH21 ARG 3 -8.039 12.314 -3.626 22 HH22 ARG 3 HH22 ARG 3 -9.147 12.145 -4.952 23 H PHE 4 H PHE 4 -9.991 4.509 0.890 24 HA PHE 4 HA PHE 4 -8.895 5.783 3.361 25 HB2 PHE 4 HB2 PHE 4 -9.262 2.853 2.495 26 HB3 PHE 4 HB3 PHE 4 -8.442 3.344 3.969 27 HD1 PHE 4 HD2 PHE 4 -11.765 3.578 2.225 28 HD2 PHE 4 HD1 PHE 4 -9.645 3.673 5.968 29 HE1 PHE 4 HE2 PHE 4 -13.916 3.807 3.438 30 HE2 PHE 4 HE1 PHE 4 -11.778 3.871 7.182 31 HZ PHE 4 HZ PHE 4 -13.930 3.946 5.936 32 H ILE 5 H ILE 5 -6.641 5.123 3.895 33 HA ILE 5 HA ILE 5 -5.023 4.713 1.458 34 HB ILE 5 HB ILE 5 -4.768 6.996 3.442 35 HG12 ILE 5 HG12 ILE 5 -4.686 7.231 0.452 36 HG13 ILE 5 HG13 ILE 5 -6.253 7.034 1.165 37 HG21 ILE 5 HG21 ILE 5 -2.729 7.692 2.110 38 HG22 ILE 5 HG22 ILE 5 -2.475 6.210 3.036 39 HG23 ILE 5 HG23 ILE 5 -2.764 6.144 1.284 40 HD11 ILE 5 HD11 ILE 5 -6.329 8.995 2.201 41 HD12 ILE 5 HD12 ILE 5 -4.548 9.213 2.282 42 HD13 ILE 5 HD13 ILE 5 -5.426 9.431 0.750 43 H VAL 6 H VAL 6 -3.024 3.820 1.777 44 HA VAL 6 HA VAL 6 -2.519 2.596 4.439 45 HB VAL 6 HB VAL 6 -2.062 1.353 1.694 46 HG11 VAL 6 HG11 VAL 6 -1.460 -0.673 3.004 47 HG12 VAL 6 HG12 VAL 6 -0.363 0.669 3.363 48 HG13 VAL 6 HG13 VAL 6 -1.663 0.267 4.503 49 HG21 VAL 6 HG21 VAL 6 -3.774 -0.284 2.359 50 HG22 VAL 6 HG22 VAL 6 -4.044 0.582 3.885 51 HG23 VAL 6 HG23 VAL 6 -4.473 1.350 2.344 52 H PHE 7 H PHE 7 -0.741 3.411 5.253 53 HA PHE 7 HA PHE 7 1.199 4.944 3.602 54 HB2 PHE 7 HB2 PHE 7 0.503 5.893 5.860 55 HB3 PHE 7 HB3 PHE 7 0.936 4.397 6.594 56 HD1 PHE 7 HD1 PHE 7 2.486 7.135 4.479 57 HD2 PHE 7 HD2 PHE 7 3.154 4.067 7.447 58 HE1 PHE 7 HE1 PHE 7 4.816 7.878 4.756 59 HE2 PHE 7 HE2 PHE 7 5.478 4.820 7.704 60 HZ PHE 7 HZ PHE 7 6.308 6.711 6.361 61 H VAL 8 H VAL 8 3.244 4.042 3.193 62 HA VAL 8 HA VAL 8 3.867 1.436 4.461 63 HB VAL 8 HB VAL 8 4.592 2.068 1.605 64 HG11 VAL 8 HG11 VAL 8 5.603 0.106 2.905 65 HG12 VAL 8 HG12 VAL 8 4.003 -0.619 2.857 66 HG13 VAL 8 HG13 VAL 8 4.852 -0.287 1.342 67 HG21 VAL 8 HG21 VAL 8 2.173 2.266 1.499 68 HG22 VAL 8 HG22 VAL 8 2.659 0.714 0.808 69 HG23 VAL 8 HG23 VAL 8 1.966 0.779 2.445 70 H GLY 9 H GLY 9 6.110 1.380 5.191 71 HA2 GLY 9 HA2 GLY 9 7.840 3.597 4.167 72 HA3 GLY 9 HA3 GLY 9 7.592 3.490 5.860 73 H SER 10 H SER 10 10.072 3.253 5.400 74 HA SER 10 HA SER 10 11.948 2.067 5.688 75 HB2 SER 10 HB2 SER 10 9.865 0.269 6.778 76 HB3 SER 10 HB3 SER 10 11.269 -0.573 6.192 77 HG SER 10 HG SER 10 11.108 1.539 8.095 78 H LEU 11 H LEU 11 10.259 1.966 3.073 79 HA LEU 11 HA LEU 11 10.811 -0.323 1.581 80 HB2 LEU 11 HB2 LEU 11 10.440 2.576 0.805 81 HB3 LEU 11 HB3 LEU 11 10.821 1.374 -0.407 82 HG LEU 11 HG LEU 11 8.851 0.079 0.057 83 HD11 LEU 11 HD11 LEU 11 8.400 0.384 2.421 84 HD12 LEU 11 HD12 LEU 11 7.037 1.048 1.539 85 HD13 LEU 11 HD13 LEU 11 8.229 2.151 2.230 86 HD21 LEU 11 HD21 LEU 11 8.673 1.938 -1.502 87 HD22 LEU 11 HD22 LEU 11 8.252 3.061 -0.196 88 HD23 LEU 11 HD23 LEU 11 7.147 1.736 -0.651 89 HA PRO 12 HA PRO 12 15.145 -0.383 0.794 90 HB2 PRO 12 HB2 PRO 12 15.215 -1.463 -1.792 91 HB3 PRO 12 HB3 PRO 12 15.004 -2.408 -0.308 92 HG2 PRO 12 HG2 PRO 12 12.931 -1.460 -2.253 93 HG3 PRO 12 HG3 PRO 12 12.981 -3.008 -1.398 94 HD2 PRO 12 HD2 PRO 12 11.366 -0.966 -0.596 95 HD3 PRO 12 HD3 PRO 12 12.116 -2.076 0.582 96 H ARG 13 H ARG 13 16.741 0.801 -0.241 97 HA ARG 13 HA ARG 13 16.181 3.339 -1.226 98 HB2 ARG 13 HB2 ARG 13 18.427 2.347 -0.378 99 HB3 ARG 13 HB3 ARG 13 18.633 1.683 -1.994 100 HG2 ARG 13 HG2 ARG 13 19.775 3.642 -2.310 101 HG3 ARG 13 HG3 ARG 13 18.175 4.245 -2.708 102 HD2 ARG 13 HD2 ARG 13 18.842 5.841 -1.211 103 HD3 ARG 13 HD3 ARG 13 18.028 4.746 -0.092 104 HE ARG 13 HE ARG 13 20.746 3.939 -0.256 105 HH11 ARG 13 HH11 ARG 13 18.963 6.791 0.894 106 HH12 ARG 13 HH12 ARG 13 20.336 7.446 1.737 107 HH21 ARG 13 HH21 ARG 13 22.444 4.711 0.923 108 HH22 ARG 13 HH22 ARG 13 22.355 6.213 1.807 109 H ASP 14 H ASP 14 16.882 0.390 -3.121 110 HA ASP 14 HA ASP 14 16.364 1.775 -5.633 111 HB2 ASP 14 HB2 ASP 14 18.231 0.033 -5.101 112 HB3 ASP 14 HB3 ASP 14 16.928 -1.054 -5.600 113 H ILE 15 H ILE 15 14.026 1.081 -3.680 114 HA ILE 15 HA ILE 15 12.395 -0.915 -4.641 115 HB ILE 15 HB ILE 15 11.897 0.372 -2.681 116 HG12 ILE 15 HG12 ILE 15 9.445 0.881 -3.169 117 HG13 ILE 15 HG13 ILE 15 9.780 0.422 -4.838 118 HG21 ILE 15 HG21 ILE 15 12.661 2.625 -3.632 119 HG22 ILE 15 HG22 ILE 15 11.068 2.693 -4.396 120 HG23 ILE 15 HG23 ILE 15 11.244 2.603 -2.612 121 HD11 ILE 15 HD11 ILE 15 10.074 -1.363 -2.412 122 HD12 ILE 15 HD12 ILE 15 8.767 -1.384 -3.612 123 HD13 ILE 15 HD13 ILE 15 10.409 -1.837 -4.099 124 H THR 16 H THR 16 10.977 -1.314 -6.429 125 HA THR 16 HA THR 16 10.973 0.670 -8.611 126 HB THR 16 HB THR 16 10.661 -1.495 -9.946 127 HG1 THR 16 HG1 THR 16 11.287 -3.352 -9.043 128 HG21 THR 16 HG21 THR 16 12.772 -0.281 -10.089 129 HG22 THR 16 HG22 THR 16 13.122 -1.995 -10.001 130 HG23 THR 16 HG23 THR 16 13.344 -0.936 -8.585 131 H ALA 17 H ALA 17 8.998 0.900 -9.748 132 HA ALA 17 HA ALA 17 6.644 0.773 -8.136 133 HB1 ALA 17 HB1 ALA 17 6.977 2.379 -10.034 134 HB2 ALA 17 HB2 ALA 17 6.940 1.024 -11.175 135 HB3 ALA 17 HB3 ALA 17 5.495 1.425 -10.224 136 H VAL 18 H VAL 18 8.082 -1.536 -10.424 137 HA VAL 18 HA VAL 18 5.705 -3.093 -10.741 138 HB VAL 18 HB VAL 18 7.498 -3.279 -12.318 139 HG11 VAL 18 HG11 VAL 18 9.473 -2.975 -10.934 140 HG12 VAL 18 HG12 VAL 18 9.205 -4.559 -10.150 141 HG13 VAL 18 HG13 VAL 18 9.595 -4.448 -11.879 142 HG21 VAL 18 HG21 VAL 18 7.576 -5.690 -12.584 143 HG22 VAL 18 HG22 VAL 18 7.087 -5.923 -10.881 144 HG23 VAL 18 HG23 VAL 18 5.977 -5.180 -12.046 145 H GLU 19 H GLU 19 8.301 -3.148 -8.240 146 HA GLU 19 HA GLU 19 7.324 -5.572 -6.970 147 HB2 GLU 19 HB2 GLU 19 9.049 -3.195 -6.098 148 HB3 GLU 19 HB3 GLU 19 8.613 -4.434 -4.956 149 HG2 GLU 19 HG2 GLU 19 10.087 -5.016 -7.550 150 HG3 GLU 19 HG3 GLU 19 10.853 -4.656 -6.005 151 H LEU 20 H LEU 20 6.582 -2.110 -6.658 152 HA LEU 20 HA LEU 20 4.905 -2.365 -4.321 153 HB2 LEU 20 HB2 LEU 20 5.091 -0.281 -6.537 154 HB3 LEU 20 HB3 LEU 20 3.965 -0.140 -5.217 155 HG LEU 20 HG LEU 20 6.998 -0.168 -5.019 156 HD11 LEU 20 HD11 LEU 20 6.626 2.109 -4.172 157 HD12 LEU 20 HD12 LEU 20 4.875 1.932 -4.415 158 HD13 LEU 20 HD13 LEU 20 5.981 1.910 -5.815 159 HD21 LEU 20 HD21 LEU 20 6.239 -1.265 -3.000 160 HD22 LEU 20 HD22 LEU 20 4.938 -0.079 -2.766 161 HD23 LEU 20 HD23 LEU 20 6.645 0.386 -2.584 162 H GLN 21 H GLN 21 4.139 -2.103 -7.804 163 HA GLN 21 HA GLN 21 1.359 -2.458 -7.636 164 HB2 GLN 21 HB2 GLN 21 3.459 -3.169 -9.719 165 HB3 GLN 21 HB3 GLN 21 1.748 -3.473 -10.010 166 HG2 GLN 21 HG2 GLN 21 2.690 -0.702 -9.197 167 HG3 GLN 21 HG3 GLN 21 2.828 -1.269 -10.862 168 HE21 GLN 21 HE21 GLN 21 1.312 0.059 -11.755 169 HE22 GLN 21 HE22 GLN 21 -0.397 -0.077 -11.429 170 H ASN 22 H ASN 22 3.976 -4.885 -7.992 171 HA ASN 22 HA ASN 22 2.320 -7.131 -8.123 172 HB2 ASN 22 HB2 ASN 22 4.702 -7.048 -8.755 173 HB3 ASN 22 HB3 ASN 22 5.150 -6.909 -7.054 174 HD21 ASN 22 HD21 ASN 22 5.776 -8.793 -6.217 175 HD22 ASN 22 HD22 ASN 22 5.378 -10.349 -6.857 176 H HIS 23 H HIS 23 3.723 -5.600 -5.151 177 HA HIS 23 HA HIS 23 2.820 -7.758 -3.440 178 HB2 HIS 23 HB2 HIS 23 4.081 -5.108 -3.078 179 HB3 HIS 23 HB3 HIS 23 2.940 -5.523 -1.797 180 HD2 HIS 23 HD2 HIS 23 3.784 -7.196 0.021 181 HE1 HIS 23 HE1 HIS 23 7.288 -8.598 -1.951 182 HE2 HIS 23 HE2 HIS 23 5.903 -8.750 0.200 183 H PHE 24 H PHE 24 1.464 -4.559 -4.270 184 HA PHE 24 HA PHE 24 -0.955 -5.173 -2.750 185 HB2 PHE 24 HB2 PHE 24 -0.167 -2.705 -4.273 186 HB3 PHE 24 HB3 PHE 24 -1.627 -2.885 -3.310 187 HD1 PHE 24 HD1 PHE 24 -1.428 -3.432 -0.805 188 HD2 PHE 24 HD2 PHE 24 1.920 -2.120 -3.164 189 HE1 PHE 24 HE1 PHE 24 -0.230 -2.753 1.266 190 HE2 PHE 24 HE2 PHE 24 3.080 -1.372 -1.120 191 HZ PHE 24 HZ PHE 24 2.010 -1.689 1.109 192 H LYS 25 H LYS 25 -0.075 -6.201 -5.773 193 HA LYS 25 HA LYS 25 -2.179 -5.661 -7.440 194 HB2 LYS 25 HB2 LYS 25 -1.301 -7.259 -8.753 195 HB3 LYS 25 HB3 LYS 25 0.034 -7.103 -7.657 196 HG2 LYS 25 HG2 LYS 25 -0.934 -9.131 -6.409 197 HG3 LYS 25 HG3 LYS 25 -1.977 -9.355 -7.824 198 HD2 LYS 25 HD2 LYS 25 1.055 -9.464 -7.649 199 HD3 LYS 25 HD3 LYS 25 -0.047 -10.789 -7.983 200 HE2 LYS 25 HE2 LYS 25 -0.570 -9.874 -10.181 201 HE3 LYS 25 HE3 LYS 25 0.346 -8.399 -9.836 202 HZ1 LYS 25 HZ1 LYS 25 2.346 -9.742 -9.693 203 HZ2 LYS 25 HZ2 LYS 25 1.630 -9.942 -11.173 204 HZ3 LYS 25 HZ3 LYS 25 1.502 -11.105 -10.017 205 H ASN 26 H ASN 26 -2.010 -8.015 -4.883 206 HA ASN 26 HA ASN 26 -4.525 -9.325 -5.261 207 HB2 ASN 26 HB2 ASN 26 -2.845 -9.002 -2.722 208 HB3 ASN 26 HB3 ASN 26 -4.104 -10.195 -3.013 209 HD21 ASN 26 HD21 ASN 26 -0.692 -9.533 -3.370 210 HD22 ASN 26 HD22 ASN 26 -0.368 -11.021 -4.219 211 H SER 27 H SER 27 -3.571 -6.348 -3.495 212 HA SER 27 HA SER 27 -6.162 -6.230 -2.129 213 HB2 SER 27 HB2 SER 27 -4.963 -4.085 -1.209 214 HB3 SER 27 HB3 SER 27 -4.660 -5.692 -0.573 215 HG SER 27 HG SER 27 -2.695 -5.712 -1.355 216 H SER 28 H SER 28 -4.867 -5.148 -5.116 217 HA SER 28 HA SER 28 -5.598 -3.705 -6.693 218 HB2 SER 28 HB2 SER 28 -8.325 -4.104 -5.454 219 HB3 SER 28 HB3 SER 28 -7.949 -3.737 -7.144 220 HG SER 28 HG SER 28 -7.169 -5.769 -7.417 221 HA PRO 29 HA PRO 29 -5.889 0.075 -3.956 222 HB2 PRO 29 HB2 PRO 29 -3.637 1.367 -4.881 223 HB3 PRO 29 HB3 PRO 29 -3.606 0.218 -3.533 224 HG2 PRO 29 HG2 PRO 29 -2.992 -0.261 -6.475 225 HG3 PRO 29 HG3 PRO 29 -2.050 -0.832 -5.064 226 HD2 PRO 29 HD2 PRO 29 -3.778 -2.455 -6.378 227 HD3 PRO 29 HD3 PRO 29 -3.609 -2.534 -4.596 228 H ASP 30 H ASP 30 -6.214 2.296 -4.618 229 HA ASP 30 HA ASP 30 -7.369 2.586 -7.311 230 HB2 ASP 30 HB2 ASP 30 -8.681 3.272 -5.329 231 HB3 ASP 30 HB3 ASP 30 -7.408 4.397 -4.851 232 H GLN 31 H GLN 31 -4.924 3.916 -5.086 233 HA GLN 31 HA GLN 31 -3.547 5.177 -7.384 234 HB2 GLN 31 HB2 GLN 31 -4.956 6.663 -5.749 235 HB3 GLN 31 HB3 GLN 31 -3.679 6.280 -4.605 236 HG2 GLN 31 HG2 GLN 31 -3.101 8.365 -5.331 237 HG3 GLN 31 HG3 GLN 31 -2.052 7.350 -6.318 238 HE21 GLN 31 HE21 GLN 31 -1.921 8.363 -8.331 239 HE22 GLN 31 HE22 GLN 31 -3.249 9.246 -9.063 240 H ILE 32 H ILE 32 -1.179 5.501 -6.997 241 HA ILE 32 HA ILE 32 0.075 4.038 -4.770 242 HB ILE 32 HB ILE 32 0.725 3.458 -7.701 243 HG12 ILE 32 HG12 ILE 32 -0.345 1.455 -5.683 244 HG13 ILE 32 HG13 ILE 32 -1.401 2.295 -6.802 245 HG21 ILE 32 HG21 ILE 32 2.342 1.796 -6.762 246 HG22 ILE 32 HG22 ILE 32 2.732 3.419 -6.229 247 HG23 ILE 32 HG23 ILE 32 1.904 2.299 -5.123 248 HD11 ILE 32 HD11 ILE 32 -0.912 0.163 -7.723 249 HD12 ILE 32 HD12 ILE 32 -0.184 1.426 -8.736 250 HD13 ILE 32 HD13 ILE 32 0.834 0.458 -7.662 251 H ARG 33 H ARG 33 1.677 5.422 -4.030 252 HA ARG 33 HA ARG 33 3.062 7.238 -5.937 253 HB2 ARG 33 HB2 ARG 33 1.175 8.390 -4.930 254 HB3 ARG 33 HB3 ARG 33 1.692 7.941 -3.316 255 HG2 ARG 33 HG2 ARG 33 3.509 9.398 -3.316 256 HG3 ARG 33 HG3 ARG 33 3.602 9.417 -5.089 257 HD2 ARG 33 HD2 ARG 33 1.688 10.824 -5.297 258 HD3 ARG 33 HD3 ARG 33 1.186 10.542 -3.632 259 HE ARG 33 HE ARG 33 3.268 12.370 -4.636 260 HH11 ARG 33 HH11 ARG 33 1.642 11.054 -1.795 261 HH12 ARG 33 HH12 ARG 33 2.227 12.250 -0.700 262 HH21 ARG 33 HH21 ARG 33 4.016 13.920 -3.336 263 HH22 ARG 33 HH22 ARG 33 3.788 13.968 -1.616 264 H LEU 34 H LEU 34 5.136 6.400 -5.802 265 HA LEU 34 HA LEU 34 6.194 5.445 -3.213 266 HB2 LEU 34 HB2 LEU 34 6.393 4.101 -5.250 267 HB3 LEU 34 HB3 LEU 34 7.245 5.368 -6.066 268 HG LEU 34 HG LEU 34 8.562 3.253 -4.999 269 HD11 LEU 34 HD11 LEU 34 9.544 6.153 -4.777 270 HD12 LEU 34 HD12 LEU 34 9.556 5.166 -6.245 271 HD13 LEU 34 HD13 LEU 34 10.557 4.709 -4.874 272 HD21 LEU 34 HD21 LEU 34 8.726 5.153 -2.638 273 HD22 LEU 34 HD22 LEU 34 9.385 3.557 -2.844 274 HD23 LEU 34 HD23 LEU 34 7.645 3.740 -2.700 275 H ARG 35 H ARG 35 7.400 6.807 -1.923 276 HA ARG 35 HA ARG 35 8.855 9.043 -3.243 277 HB2 ARG 35 HB2 ARG 35 7.005 9.134 -0.881 278 HB3 ARG 35 HB3 ARG 35 8.461 10.128 -0.809 279 HG2 ARG 35 HG2 ARG 35 6.648 10.180 -3.249 280 HG3 ARG 35 HG3 ARG 35 6.341 11.205 -1.840 281 HD2 ARG 35 HD2 ARG 35 8.364 12.391 -2.068 282 HD3 ARG 35 HD3 ARG 35 9.081 11.201 -3.151 283 HE ARG 35 HE ARG 35 7.481 11.829 -4.871 284 HH11 ARG 35 HH11 ARG 35 8.423 14.339 -2.441 285 HH12 ARG 35 HH12 ARG 35 7.847 15.619 -3.473 286 HH21 ARG 35 HH21 ARG 35 7.204 13.681 -6.288 287 HH22 ARG 35 HH22 ARG 35 7.308 15.276 -5.568 288 H ALA 36 H ALA 36 10.557 7.637 -3.521 289 HA ALA 36 HA ALA 36 11.806 6.122 -1.479 290 HB1 ALA 36 HB1 ALA 36 12.278 5.773 -3.871 291 HB2 ALA 36 HB2 ALA 36 13.049 7.372 -3.963 292 HB3 ALA 36 HB3 ALA 36 13.764 6.092 -2.967 293 H ASP 37 H ASP 37 11.857 9.560 -2.110 294 HA ASP 37 HA ASP 37 14.231 10.413 -0.963 295 HB2 ASP 37 HB2 ASP 37 11.474 11.671 -1.030 296 HB3 ASP 37 HB3 ASP 37 12.898 12.526 -0.423 297 H LYS 38 H LYS 38 11.635 8.891 0.700 298 HA LYS 38 HA LYS 38 13.021 9.271 3.287 299 HB2 LYS 38 HB2 LYS 38 10.139 9.951 2.799 300 HB3 LYS 38 HB3 LYS 38 10.587 9.183 4.323 301 HG2 LYS 38 HG2 LYS 38 12.330 10.948 4.673 302 HG3 LYS 38 HG3 LYS 38 11.722 11.783 3.242 303 HD2 LYS 38 HD2 LYS 38 9.450 11.917 4.408 304 HD3 LYS 38 HD3 LYS 38 10.223 11.199 5.839 305 HE2 LYS 38 HE2 LYS 38 11.913 13.123 5.727 306 HE3 LYS 38 HE3 LYS 38 10.869 13.872 4.515 307 HZ1 LYS 38 HZ1 LYS 38 10.399 14.758 6.676 308 HZ2 LYS 38 HZ2 LYS 38 10.200 13.306 7.349 309 HZ3 LYS 38 HZ3 LYS 38 9.087 13.854 6.272 310 H GLY 39 H GLY 39 11.905 7.196 0.909 311 HA2 GLY 39 HA2 GLY 39 11.944 4.900 0.804 312 HA3 GLY 39 HA3 GLY 39 12.424 4.838 2.514 313 H ILE 40 H ILE 40 9.483 6.447 1.092 314 HA ILE 40 HA ILE 40 7.812 4.535 2.543 315 HB ILE 40 HB ILE 40 6.470 6.507 3.208 316 HG12 ILE 40 HG12 ILE 40 8.760 8.206 2.160 317 HG13 ILE 40 HG13 ILE 40 7.239 7.886 1.341 318 HG21 ILE 40 HG21 ILE 40 8.116 5.666 4.850 319 HG22 ILE 40 HG22 ILE 40 9.355 6.742 4.190 320 HG23 ILE 40 HG23 ILE 40 7.935 7.411 4.987 321 HD11 ILE 40 HD11 ILE 40 5.985 8.997 3.146 322 HD12 ILE 40 HD12 ILE 40 7.531 9.391 3.949 323 HD13 ILE 40 HD13 ILE 40 7.157 10.058 2.350 324 H ALA 41 H ALA 41 5.438 4.901 1.803 325 HA ALA 41 HA ALA 41 5.061 5.969 -0.859 326 HB1 ALA 41 HB1 ALA 41 4.534 3.003 -0.352 327 HB2 ALA 41 HB2 ALA 41 4.189 3.896 -1.837 328 HB3 ALA 41 HB3 ALA 41 5.867 3.643 -1.335 329 H PHE 42 H PHE 42 2.735 5.752 -1.473 330 HA PHE 42 HA PHE 42 0.829 5.621 0.793 331 HB2 PHE 42 HB2 PHE 42 0.824 7.751 -1.390 332 HB3 PHE 42 HB3 PHE 42 -0.296 7.608 -0.098 333 HD1 PHE 42 HD1 PHE 42 3.335 8.308 -0.822 334 HD2 PHE 42 HD2 PHE 42 0.035 8.802 1.881 335 HE1 PHE 42 HE1 PHE 42 4.703 9.862 0.563 336 HE2 PHE 42 HE2 PHE 42 1.365 10.383 3.248 337 HZ PHE 42 HZ PHE 42 3.728 10.899 2.595 338 H LEU 43 H LEU 43 -1.137 4.737 0.115 339 HA LEU 43 HA LEU 43 -1.612 4.213 -2.722 340 HB2 LEU 43 HB2 LEU 43 -1.602 2.066 -0.544 341 HB3 LEU 43 HB3 LEU 43 -2.340 1.907 -2.136 342 HG LEU 43 HG LEU 43 0.153 2.635 -2.908 343 HD11 LEU 43 HD11 LEU 43 1.039 2.690 -0.566 344 HD12 LEU 43 HD12 LEU 43 1.837 1.463 -1.558 345 HD13 LEU 43 HD13 LEU 43 0.590 0.990 -0.382 346 HD21 LEU 43 HD21 LEU 43 -1.060 0.678 -3.685 347 HD22 LEU 43 HD22 LEU 43 -0.763 -0.164 -2.148 348 HD23 LEU 43 HD23 LEU 43 0.600 0.226 -3.225 349 H GLU 44 H GLU 44 -3.563 5.057 -3.017 350 HA GLU 44 HA GLU 44 -5.467 5.387 -0.757 351 HB2 GLU 44 HB2 GLU 44 -5.577 6.350 -3.642 352 HB3 GLU 44 HB3 GLU 44 -6.805 6.614 -2.474 353 HG2 GLU 44 HG2 GLU 44 -5.411 8.605 -2.963 354 HG3 GLU 44 HG3 GLU 44 -5.645 8.222 -1.288 355 H PHE 45 H PHE 45 -7.674 4.510 -1.009 356 HA PHE 45 HA PHE 45 -8.157 2.443 -3.087 357 HB2 PHE 45 HB2 PHE 45 -8.341 2.069 -0.069 358 HB3 PHE 45 HB3 PHE 45 -8.994 0.971 -1.269 359 HD1 PHE 45 HD1 PHE 45 -5.719 2.470 -0.116 360 HD2 PHE 45 HD2 PHE 45 -7.738 -0.849 -1.982 361 HE1 PHE 45 HE1 PHE 45 -3.647 1.145 -0.015 362 HE2 PHE 45 HE2 PHE 45 -5.694 -2.198 -1.789 363 HZ PHE 45 HZ PHE 45 -3.625 -1.226 -0.799 364 H ASP 46 H ASP 46 -10.074 3.122 -3.984 365 HA ASP 46 HA ASP 46 -11.912 4.918 -2.668 366 HB2 ASP 46 HB2 ASP 46 -11.596 5.013 -5.081 367 HB3 ASP 46 HB3 ASP 46 -12.222 3.376 -5.247 368 H ALA 47 H ALA 47 -13.276 4.386 -1.114 369 HA ALA 47 HA ALA 47 -14.232 1.708 -0.641 370 HB1 ALA 47 HB1 ALA 47 -15.331 2.640 1.264 371 HB2 ALA 47 HB2 ALA 47 -13.759 3.453 1.125 372 HB3 ALA 47 HB3 ALA 47 -15.245 4.283 0.608 373 H ASP 48 H ASP 48 -15.374 4.225 -2.754 374 HA ASP 48 HA ASP 48 -18.187 3.279 -2.561 375 HB2 ASP 48 HB2 ASP 48 -17.876 5.644 -2.913 376 HB3 ASP 48 HB3 ASP 48 -16.897 5.354 -4.356 377 H LYS 49 H LYS 49 -15.241 2.700 -4.426 378 HA LYS 49 HA LYS 49 -16.361 1.625 -6.758 379 HB2 LYS 49 HB2 LYS 49 -13.886 2.121 -6.026 380 HB3 LYS 49 HB3 LYS 49 -13.889 0.478 -5.412 381 HG2 LYS 49 HG2 LYS 49 -14.412 1.404 -8.239 382 HG3 LYS 49 HG3 LYS 49 -12.905 0.696 -7.640 383 HD2 LYS 49 HD2 LYS 49 -14.324 -1.392 -7.041 384 HD3 LYS 49 HD3 LYS 49 -15.556 -0.673 -8.108 385 HE2 LYS 49 HE2 LYS 49 -13.885 -0.646 -9.959 386 HE3 LYS 49 HE3 LYS 49 -12.744 -1.487 -8.900 387 HZ1 LYS 49 HZ1 LYS 49 -14.424 -3.281 -8.703 388 HZ2 LYS 49 HZ2 LYS 49 -13.910 -3.060 -10.251 389 HZ3 LYS 49 HZ3 LYS 49 -15.377 -2.492 -9.809 390 H ASP 50 H ASP 50 -15.592 0.013 -3.593 391 HA ASP 50 HA ASP 50 -17.497 -2.157 -4.323 392 HB2 ASP 50 HB2 ASP 50 -15.119 -2.617 -5.069 393 HB3 ASP 50 HB3 ASP 50 -14.638 -2.575 -3.376 394 H ARG 51 H ARG 51 -18.906 -1.239 -2.726 395 HA ARG 51 HA ARG 51 -18.217 -0.501 -0.157 396 HB2 ARG 51 HB2 ARG 51 -20.633 -0.950 -1.617 397 HB3 ARG 51 HB3 ARG 51 -20.840 -1.787 -0.095 398 HG2 ARG 51 HG2 ARG 51 -19.863 1.099 -0.265 399 HG3 ARG 51 HG3 ARG 51 -21.578 0.673 -0.214 400 HD2 ARG 51 HD2 ARG 51 -21.413 -0.321 1.927 401 HD3 ARG 51 HD3 ARG 51 -19.651 -0.296 1.918 402 HE ARG 51 HE ARG 51 -20.018 2.296 1.760 403 HH11 ARG 51 HH11 ARG 51 -22.088 0.110 3.752 404 HH12 ARG 51 HH12 ARG 51 -22.221 1.274 5.021 405 HH21 ARG 51 HH21 ARG 51 -20.397 3.851 3.515 406 HH22 ARG 51 HH22 ARG 51 -21.374 3.318 4.845 407 H THR 52 H THR 52 -18.761 -3.918 -1.191 408 HA THR 52 HA THR 52 -18.336 -4.670 1.666 409 HB THR 52 HB THR 52 -19.087 -6.854 1.110 410 HG1 THR 52 HG1 THR 52 -19.380 -5.914 -1.562 411 HG21 THR 52 HG21 THR 52 -21.404 -6.414 0.560 412 HG22 THR 52 HG22 THR 52 -21.002 -4.850 -0.169 413 HG23 THR 52 HG23 THR 52 -20.809 -5.098 1.577 414 H GLY 53 H GLY 53 -16.544 -4.567 -1.363 415 HA2 GLY 53 HA2 GLY 53 -14.531 -6.448 -0.391 416 HA3 GLY 53 HA3 GLY 53 -14.601 -5.650 -1.947 417 H ILE 54 H ILE 54 -14.922 -2.921 -0.234 418 HA ILE 54 HA ILE 54 -12.234 -2.139 -0.441 419 HB ILE 54 HB ILE 54 -14.025 -0.541 -0.367 420 HG12 ILE 54 HG12 ILE 54 -13.067 1.074 1.405 421 HG13 ILE 54 HG13 ILE 54 -11.996 -0.209 1.893 422 HG21 ILE 54 HG21 ILE 54 -15.528 -1.607 1.270 423 HG22 ILE 54 HG22 ILE 54 -14.403 -1.167 2.582 424 HG23 ILE 54 HG23 ILE 54 -15.236 0.088 1.643 425 HD11 ILE 54 HD11 ILE 54 -12.136 1.080 -0.864 426 HD12 ILE 54 HD12 ILE 54 -10.863 1.284 0.348 427 HD13 ILE 54 HD13 ILE 54 -11.092 -0.276 -0.475 428 H GLN 55 H GLN 55 -13.992 -3.589 2.231 429 HA GLN 55 HA GLN 55 -12.044 -3.383 4.281 430 HB2 GLN 55 HB2 GLN 55 -14.364 -3.897 4.686 431 HB3 GLN 55 HB3 GLN 55 -14.292 -5.395 3.752 432 HG2 GLN 55 HG2 GLN 55 -12.595 -4.875 6.220 433 HG3 GLN 55 HG3 GLN 55 -14.238 -5.502 6.312 434 HE21 GLN 55 HE21 GLN 55 -10.957 -6.367 5.882 435 HE22 GLN 55 HE22 GLN 55 -11.226 -8.052 5.449 436 H ARG 56 H ARG 56 -12.793 -6.248 2.186 437 HA ARG 56 HA ARG 56 -10.563 -7.775 2.850 438 HB2 ARG 56 HB2 ARG 56 -12.084 -7.562 0.222 439 HB3 ARG 56 HB3 ARG 56 -10.841 -8.777 0.495 440 HG2 ARG 56 HG2 ARG 56 -13.197 -8.457 2.396 441 HG3 ARG 56 HG3 ARG 56 -13.328 -9.413 0.930 442 HD2 ARG 56 HD2 ARG 56 -11.256 -9.894 3.114 443 HD3 ARG 56 HD3 ARG 56 -12.803 -10.739 2.997 444 HE ARG 56 HE ARG 56 -12.073 -11.430 0.690 445 HH11 ARG 56 HH11 ARG 56 -9.897 -11.362 3.482 446 HH12 ARG 56 HH12 ARG 56 -8.532 -12.058 2.679 447 HH21 ARG 56 HH21 ARG 56 -10.470 -12.873 -0.230 448 HH22 ARG 56 HH22 ARG 56 -9.111 -13.316 0.749 449 H ARG 57 H ARG 57 -10.708 -5.177 0.330 450 HA ARG 57 HA ARG 57 -8.081 -5.541 -0.663 451 HB2 ARG 57 HB2 ARG 57 -9.796 -3.052 -0.307 452 HB3 ARG 57 HB3 ARG 57 -8.249 -3.052 -1.131 453 HG2 ARG 57 HG2 ARG 57 -9.230 -4.653 -2.819 454 HG3 ARG 57 HG3 ARG 57 -10.762 -4.566 -1.977 455 HD2 ARG 57 HD2 ARG 57 -10.961 -2.194 -2.397 456 HD3 ARG 57 HD3 ARG 57 -9.275 -2.087 -2.874 457 HE ARG 57 HE ARG 57 -9.884 -2.385 -4.976 458 HH11 ARG 57 HH11 ARG 57 -12.283 -4.007 -3.001 459 HH12 ARG 57 HH12 ARG 57 -13.327 -4.517 -4.284 460 HH21 ARG 57 HH21 ARG 57 -11.243 -3.004 -6.796 461 HH22 ARG 57 HH22 ARG 57 -12.721 -3.878 -6.497 462 H MET 58 H MET 58 -9.271 -3.499 2.080 463 HA MET 58 HA MET 58 -6.745 -2.496 2.851 464 HB2 MET 58 HB2 MET 58 -9.494 -2.637 4.049 465 HB3 MET 58 HB3 MET 58 -8.197 -2.677 5.234 466 HG2 MET 58 HG2 MET 58 -7.224 -0.633 4.219 467 HG3 MET 58 HG3 MET 58 -8.629 -0.515 3.158 468 HE1 MET 58 HE1 MET 58 -11.413 0.894 5.086 469 HE2 MET 58 HE2 MET 58 -10.470 0.920 3.582 470 HE3 MET 58 HE3 MET 58 -11.139 -0.628 4.197 471 H ASP 59 H ASP 59 -8.537 -5.377 4.004 472 HA ASP 59 HA ASP 59 -6.806 -6.320 5.957 473 HB2 ASP 59 HB2 ASP 59 -9.037 -7.213 4.588 474 HB3 ASP 59 HB3 ASP 59 -7.911 -8.449 4.175 475 H ILE 60 H ILE 60 -6.828 -7.206 2.526 476 HA ILE 60 HA ILE 60 -4.526 -8.883 2.591 477 HB ILE 60 HB ILE 60 -5.984 -7.396 0.355 478 HG12 ILE 60 HG12 ILE 60 -6.057 -10.392 0.858 479 HG13 ILE 60 HG13 ILE 60 -7.108 -9.333 1.788 480 HG21 ILE 60 HG21 ILE 60 -4.933 -9.061 -1.197 481 HG22 ILE 60 HG22 ILE 60 -3.794 -7.904 -0.517 482 HG23 ILE 60 HG23 ILE 60 -3.850 -9.561 0.120 483 HD11 ILE 60 HD11 ILE 60 -8.371 -10.144 -0.043 484 HD12 ILE 60 HD12 ILE 60 -8.065 -8.430 -0.335 485 HD13 ILE 60 HD13 ILE 60 -7.137 -9.656 -1.227 486 H ALA 61 H ALA 61 -4.888 -5.354 2.119 487 HA ALA 61 HA ALA 61 -2.101 -4.991 1.409 488 HB1 ALA 61 HB1 ALA 61 -4.167 -3.001 2.465 489 HB2 ALA 61 HB2 ALA 61 -2.593 -2.600 1.763 490 HB3 ALA 61 HB3 ALA 61 -3.842 -3.352 0.756 491 H LEU 62 H LEU 62 -4.048 -4.810 4.444 492 HA LEU 62 HA LEU 62 -1.990 -3.794 6.133 493 HB2 LEU 62 HB2 LEU 62 -4.536 -5.361 6.609 494 HB3 LEU 62 HB3 LEU 62 -3.453 -4.991 7.933 495 HG LEU 62 HG LEU 62 -4.598 -2.817 6.124 496 HD11 LEU 62 HD11 LEU 62 -6.259 -2.407 7.901 497 HD12 LEU 62 HD12 LEU 62 -5.664 -3.822 8.803 498 HD13 LEU 62 HD13 LEU 62 -6.447 -4.026 7.223 499 HD21 LEU 62 HD21 LEU 62 -3.294 -2.733 8.882 500 HD22 LEU 62 HD22 LEU 62 -4.074 -1.364 8.099 501 HD23 LEU 62 HD23 LEU 62 -2.631 -2.071 7.374 502 H LEU 63 H LEU 63 -2.831 -7.050 5.140 503 HA LEU 63 HA LEU 63 -1.153 -8.413 7.000 504 HB2 LEU 63 HB2 LEU 63 -2.463 -9.115 4.347 505 HB3 LEU 63 HB3 LEU 63 -1.403 -10.281 5.109 506 HG LEU 63 HG LEU 63 -3.739 -9.045 6.622 507 HD11 LEU 63 HD11 LEU 63 -3.733 -11.613 4.982 508 HD12 LEU 63 HD12 LEU 63 -4.653 -10.128 4.627 509 HD13 LEU 63 HD13 LEU 63 -5.031 -11.073 6.072 510 HD21 LEU 63 HD21 LEU 63 -2.240 -11.664 7.036 511 HD22 LEU 63 HD22 LEU 63 -3.538 -11.000 8.052 512 HD23 LEU 63 HD23 LEU 63 -1.970 -10.185 7.975 513 H GLN 64 H GLN 64 -0.211 -6.411 4.406 514 HA GLN 64 HA GLN 64 2.230 -7.945 3.858 515 HB2 GLN 64 HB2 GLN 64 1.643 -5.114 2.978 516 HB3 GLN 64 HB3 GLN 64 2.816 -6.234 2.308 517 HG2 GLN 64 HG2 GLN 64 -0.203 -6.367 2.038 518 HG3 GLN 64 HG3 GLN 64 0.953 -5.951 0.796 519 HE21 GLN 64 HE21 GLN 64 -0.933 -8.479 2.085 520 HE22 GLN 64 HE22 GLN 64 -0.095 -9.821 1.295 521 H HIS 65 H HIS 65 1.325 -6.058 6.526 522 HA HIS 65 HA HIS 65 3.552 -4.349 6.946 523 HB2 HIS 65 HB2 HIS 65 1.397 -4.242 8.056 524 HB3 HIS 65 HB3 HIS 65 1.784 -5.693 8.988 525 HD2 HIS 65 HD2 HIS 65 1.372 -4.054 11.167 526 HE1 HIS 65 HE1 HIS 65 4.938 -1.790 10.724 527 HE2 HIS 65 HE2 HIS 65 2.999 -2.319 12.283 528 H GLY 66 H GLY 66 5.577 -5.005 6.953 529 HA2 GLY 66 HA2 GLY 66 7.414 -5.946 8.108 530 HA3 GLY 66 HA3 GLY 66 6.442 -7.284 8.682 531 H THR 67 H THR 67 5.847 -6.664 5.273 532 HA THR 67 HA THR 67 7.066 -9.166 4.582 533 HB THR 67 HB THR 67 6.705 -8.300 2.201 534 HG1 THR 67 HG1 THR 67 6.748 -6.057 3.008 535 HG21 THR 67 HG21 THR 67 5.016 -9.722 3.087 536 HG22 THR 67 HG22 THR 67 4.174 -8.345 2.381 537 HG23 THR 67 HG23 THR 67 4.387 -8.473 4.151 538 H LEU 68 H LEU 68 8.935 -9.569 3.395 539 HA LEU 68 HA LEU 68 11.058 -7.522 3.604 540 HB2 LEU 68 HB2 LEU 68 11.192 -10.476 2.910 541 HB3 LEU 68 HB3 LEU 68 12.564 -9.381 3.123 542 HG LEU 68 HG LEU 68 10.680 -10.459 5.254 543 HD11 LEU 68 HD11 LEU 68 13.714 -10.302 5.002 544 HD12 LEU 68 HD12 LEU 68 12.723 -11.769 4.860 545 HD13 LEU 68 HD13 LEU 68 12.817 -10.902 6.425 546 HD21 LEU 68 HD21 LEU 68 11.960 -8.956 6.828 547 HD22 LEU 68 HD22 LEU 68 10.796 -8.137 5.801 548 HD23 LEU 68 HD23 LEU 68 12.551 -8.068 5.407 549 H LEU 69 H LEU 69 11.503 -6.338 1.910 550 HA LEU 69 HA LEU 69 10.768 -7.273 -0.810 551 HB2 LEU 69 HB2 LEU 69 9.923 -4.864 0.737 552 HB3 LEU 69 HB3 LEU 69 10.533 -4.502 -0.866 553 HG LEU 69 HG LEU 69 8.618 -6.820 -0.652 554 HD11 LEU 69 HD11 LEU 69 6.666 -5.336 -0.690 555 HD12 LEU 69 HD12 LEU 69 7.728 -3.925 -0.432 556 HD13 LEU 69 HD13 LEU 69 7.571 -5.205 0.796 557 HD21 LEU 69 HD21 LEU 69 9.701 -6.141 -2.796 558 HD22 LEU 69 HD22 LEU 69 8.968 -4.529 -2.642 559 HD23 LEU 69 HD23 LEU 69 7.947 -5.959 -2.872 560 H LYS 70 H LYS 70 12.473 -7.417 -1.966 561 HA LYS 70 HA LYS 70 14.623 -7.326 -2.645 562 HB2 LYS 70 HB2 LYS 70 14.314 -4.358 -2.376 563 HB3 LYS 70 HB3 LYS 70 15.355 -5.256 -3.476 564 HG2 LYS 70 HG2 LYS 70 13.104 -6.424 -4.227 565 HG3 LYS 70 HG3 LYS 70 12.314 -4.994 -3.556 566 HD2 LYS 70 HD2 LYS 70 14.574 -4.814 -5.563 567 HD3 LYS 70 HD3 LYS 70 12.943 -5.175 -6.082 568 HE2 LYS 70 HE2 LYS 70 12.167 -2.930 -5.132 569 HE3 LYS 70 HE3 LYS 70 13.851 -2.672 -4.627 570 HZ1 LYS 70 HZ1 LYS 70 14.443 -3.033 -7.048 571 HZ2 LYS 70 HZ2 LYS 70 13.643 -1.681 -6.746 572 HZ3 LYS 70 HZ3 LYS 70 12.844 -2.966 -7.396 573 H GLU 71 H GLU 71 14.489 -7.975 0.002 574 HA GLU 71 HA GLU 71 15.700 -8.458 1.728 575 HB2 GLU 71 HB2 GLU 71 18.101 -7.145 0.415 576 HB3 GLU 71 HB3 GLU 71 18.073 -8.393 1.672 577 HG2 GLU 71 HG2 GLU 71 16.817 -9.886 0.050 578 HG3 GLU 71 HG3 GLU 71 17.138 -8.691 -1.212 579 H LYS 72 H LYS 72 14.165 -6.031 1.708 580 HA LYS 72 HA LYS 72 15.295 -4.742 4.131 581 HB2 LYS 72 HB2 LYS 72 14.454 -3.544 1.513 582 HB3 LYS 72 HB3 LYS 72 13.894 -2.708 2.947 583 HG2 LYS 72 HG2 LYS 72 16.809 -3.516 2.732 584 HG3 LYS 72 HG3 LYS 72 16.249 -2.093 1.868 585 HD2 LYS 72 HD2 LYS 72 15.609 -2.448 4.821 586 HD3 LYS 72 HD3 LYS 72 17.162 -1.773 4.288 587 HE2 LYS 72 HE2 LYS 72 16.224 0.095 3.297 588 HE3 LYS 72 HE3 LYS 72 14.636 -0.643 3.098 589 HZ1 LYS 72 HZ1 LYS 72 14.054 -0.172 5.188 590 HZ2 LYS 72 HZ2 LYS 72 15.033 1.111 4.869 591 HZ3 LYS 72 HZ3 LYS 72 15.598 -0.107 5.815 592 H LYS 73 H LYS 73 13.844 -4.991 5.804 593 HA LYS 73 HA LYS 73 11.176 -6.018 5.221 594 HB2 LYS 73 HB2 LYS 73 12.487 -6.622 7.326 595 HB3 LYS 73 HB3 LYS 73 12.318 -4.956 7.871 596 HG2 LYS 73 HG2 LYS 73 10.018 -5.162 8.270 597 HG3 LYS 73 HG3 LYS 73 9.805 -6.341 6.988 598 HD2 LYS 73 HD2 LYS 73 9.380 -7.575 8.876 599 HD3 LYS 73 HD3 LYS 73 11.005 -8.061 8.465 600 HE2 LYS 73 HE2 LYS 73 10.125 -6.049 10.595 601 HE3 LYS 73 HE3 LYS 73 10.644 -7.723 10.853 602 HZ1 LYS 73 HZ1 LYS 73 12.823 -7.113 9.981 603 HZ2 LYS 73 HZ2 LYS 73 12.474 -6.317 11.354 604 HZ3 LYS 73 HZ3 LYS 73 12.376 -5.493 9.974 605 H ILE 74 H ILE 74 9.365 -4.809 5.178 606 HA ILE 74 HA ILE 74 9.584 -1.858 5.557 607 HB ILE 74 HB ILE 74 8.053 -1.566 3.786 608 HG12 ILE 74 HG12 ILE 74 8.163 -4.413 2.819 609 HG13 ILE 74 HG13 ILE 74 7.122 -4.128 4.164 610 HG21 ILE 74 HG21 ILE 74 9.434 -2.134 1.885 611 HG22 ILE 74 HG22 ILE 74 10.486 -1.737 3.267 612 HG23 ILE 74 HG23 ILE 74 10.252 -3.419 2.786 613 HD11 ILE 74 HD11 ILE 74 5.902 -3.871 2.035 614 HD12 ILE 74 HD12 ILE 74 5.922 -2.348 2.938 615 HD13 ILE 74 HD13 ILE 74 7.008 -2.566 1.550 616 H ASN 75 H ASN 75 7.329 -0.838 5.844 617 HA ASN 75 HA ASN 75 5.663 -2.450 7.751 618 HB2 ASN 75 HB2 ASN 75 5.289 -0.296 8.944 619 HB3 ASN 75 HB3 ASN 75 6.988 -0.796 9.074 620 HD21 ASN 75 HD21 ASN 75 4.614 1.495 7.617 621 HD22 ASN 75 HD22 ASN 75 5.833 2.617 7.045 622 H VAL 76 H VAL 76 3.487 -1.793 7.962 623 HA VAL 76 HA VAL 76 2.353 -0.031 5.892 624 HB VAL 76 HB VAL 76 1.954 -3.001 6.167 625 HG11 VAL 76 HG11 VAL 76 -0.267 -1.083 5.469 626 HG12 VAL 76 HG12 VAL 76 -0.256 -2.773 4.963 627 HG13 VAL 76 HG13 VAL 76 -0.279 -2.377 6.680 628 HG21 VAL 76 HG21 VAL 76 1.790 -1.113 3.796 629 HG22 VAL 76 HG22 VAL 76 3.202 -2.084 4.257 630 HG23 VAL 76 HG23 VAL 76 1.719 -2.889 3.731 631 H GLU 77 H GLU 77 0.718 1.203 6.719 632 HA GLU 77 HA GLU 77 -0.839 0.336 9.025 633 HB2 GLU 77 HB2 GLU 77 -0.487 2.737 9.978 634 HB3 GLU 77 HB3 GLU 77 0.605 1.404 10.421 635 HG2 GLU 77 HG2 GLU 77 2.181 2.362 8.609 636 HG3 GLU 77 HG3 GLU 77 1.077 3.756 8.586 637 H LEU 78 H LEU 78 -2.709 1.849 9.358 638 HA LEU 78 HA LEU 78 -3.772 2.641 6.761 639 HB2 LEU 78 HB2 LEU 78 -4.744 1.463 9.157 640 HB3 LEU 78 HB3 LEU 78 -5.415 3.066 9.201 641 HG LEU 78 HG LEU 78 -6.795 1.211 8.226 642 HD11 LEU 78 HD11 LEU 78 -6.329 3.584 6.383 643 HD12 LEU 78 HD12 LEU 78 -7.369 3.560 7.819 644 HD13 LEU 78 HD13 LEU 78 -7.760 2.542 6.416 645 HD21 LEU 78 HD21 LEU 78 -6.392 0.224 6.163 646 HD22 LEU 78 HD22 LEU 78 -4.762 0.309 6.852 647 HD23 LEU 78 HD23 LEU 78 -5.268 1.494 5.639 648 H THR 79 H THR 79 -4.576 4.659 6.322 649 HA THR 79 HA THR 79 -4.082 6.900 8.141 650 HB THR 79 HB THR 79 -3.349 7.585 5.382 651 HG1 THR 79 HG1 THR 79 -1.891 5.530 6.607 652 HG21 THR 79 HG21 THR 79 -1.684 7.696 7.908 653 HG22 THR 79 HG22 THR 79 -2.882 8.937 7.426 654 HG23 THR 79 HG23 THR 79 -1.442 8.656 6.450 655 H VAL 80 H VAL 80 -5.341 8.719 7.497 656 HA VAL 80 HA VAL 80 -7.387 9.619 7.038 657 HB VAL 80 HB VAL 80 -6.601 8.729 4.263 658 HG11 VAL 80 HG11 VAL 80 -7.946 10.535 3.447 659 HG12 VAL 80 HG12 VAL 80 -8.969 9.685 4.619 660 HG13 VAL 80 HG13 VAL 80 -8.178 11.197 5.078 661 HG21 VAL 80 HG21 VAL 80 -5.772 11.254 5.738 662 HG22 VAL 80 HG22 VAL 80 -4.699 9.937 5.206 663 HG23 VAL 80 HG23 VAL 80 -5.518 10.951 4.014 664 H GLY 81 H GLY 81 -8.533 7.872 8.242 665 HA2 GLY 81 HA2 GLY 81 -10.808 7.016 6.921 666 HA3 GLY 81 HA3 GLY 81 -9.619 5.751 6.620 667 H GLY 82 H GLY 82 -11.431 7.522 8.990 668 HA2 GLY 82 HA2 GLY 82 -12.124 5.612 10.791 669 HA3 GLY 82 HA3 GLY 82 -10.517 6.137 11.368 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -16.892 11.681 2.001 2 HA2 GLY 1 HA2 GLY 1 -15.329 11.460 0.124 3 HA3 GLY 1 HA3 GLY 1 -14.027 11.375 1.332 4 H ASN 2 H ASN 2 -15.079 9.437 -0.747 5 HA ASN 2 HA ASN 2 -15.783 7.152 1.012 6 HB2 ASN 2 HB2 ASN 2 -16.634 6.060 -1.112 7 HB3 ASN 2 HB3 ASN 2 -17.565 7.394 -0.445 8 HD21 ASN 2 HD21 ASN 2 -15.215 6.574 -3.172 9 HD22 ASN 2 HD22 ASN 2 -15.829 7.911 -4.107 10 H ARG 3 H ARG 3 -12.931 8.151 0.527 11 HA ARG 3 HA ARG 3 -11.975 5.501 -0.459 12 HB2 ARG 3 HB2 ARG 3 -10.014 6.454 -1.420 13 HB3 ARG 3 HB3 ARG 3 -11.469 7.000 -2.251 14 HG2 ARG 3 HG2 ARG 3 -11.309 9.171 -1.402 15 HG3 ARG 3 HG3 ARG 3 -10.185 8.712 -0.099 16 HD2 ARG 3 HD2 ARG 3 -8.380 8.394 -1.556 17 HD3 ARG 3 HD3 ARG 3 -9.428 8.349 -2.987 18 HE ARG 3 HE ARG 3 -9.864 10.722 -2.765 19 HH11 ARG 3 HH11 ARG 3 -6.897 9.671 -1.096 20 HH12 ARG 3 HH12 ARG 3 -6.364 11.297 -0.789 21 HH21 ARG 3 HH21 ARG 3 -9.076 12.774 -2.543 22 HH22 ARG 3 HH22 ARG 3 -7.484 13.046 -1.857 23 H PHE 4 H PHE 4 -10.016 4.784 0.456 24 HA PHE 4 HA PHE 4 -9.368 5.905 3.144 25 HB2 PHE 4 HB2 PHE 4 -9.620 3.031 2.134 26 HB3 PHE 4 HB3 PHE 4 -8.840 3.452 3.641 27 HD1 PHE 4 HD1 PHE 4 -12.075 3.348 1.876 28 HD2 PHE 4 HD2 PHE 4 -10.105 3.995 5.639 29 HE1 PHE 4 HE1 PHE 4 -14.273 3.180 3.077 30 HE2 PHE 4 HE2 PHE 4 -12.262 3.886 6.805 31 HZ PHE 4 HZ PHE 4 -14.357 3.448 5.537 32 H ILE 5 H ILE 5 -7.074 5.349 3.700 33 HA ILE 5 HA ILE 5 -5.283 5.159 1.368 34 HB ILE 5 HB ILE 5 -5.225 7.292 3.521 35 HG12 ILE 5 HG12 ILE 5 -5.200 8.001 0.595 36 HG13 ILE 5 HG13 ILE 5 -6.741 7.499 1.233 37 HG21 ILE 5 HG21 ILE 5 -3.178 6.796 1.306 38 HG22 ILE 5 HG22 ILE 5 -3.241 8.253 2.321 39 HG23 ILE 5 HG23 ILE 5 -2.912 6.695 3.064 40 HD11 ILE 5 HD11 ILE 5 -6.631 9.151 3.038 41 HD12 ILE 5 HD12 ILE 5 -5.092 9.757 2.376 42 HD13 ILE 5 HD13 ILE 5 -6.595 9.864 1.424 43 H VAL 6 H VAL 6 -3.455 4.049 1.740 44 HA VAL 6 HA VAL 6 -2.970 2.988 4.497 45 HB VAL 6 HB VAL 6 -2.307 1.768 1.783 46 HG11 VAL 6 HG11 VAL 6 -1.686 -0.254 3.056 47 HG12 VAL 6 HG12 VAL 6 -0.652 1.106 3.487 48 HG13 VAL 6 HG13 VAL 6 -1.958 0.613 4.583 49 HG21 VAL 6 HG21 VAL 6 -4.699 1.623 2.241 50 HG22 VAL 6 HG22 VAL 6 -3.966 0.026 2.443 51 HG23 VAL 6 HG23 VAL 6 -4.394 0.995 3.868 52 H PHE 7 H PHE 7 -0.942 3.115 5.302 53 HA PHE 7 HA PHE 7 1.008 4.943 3.994 54 HB2 PHE 7 HB2 PHE 7 0.052 5.513 6.296 55 HB3 PHE 7 HB3 PHE 7 0.638 3.978 6.849 56 HD1 PHE 7 HD1 PHE 7 3.055 3.576 7.252 57 HD2 PHE 7 HD2 PHE 7 1.636 7.380 5.798 58 HE1 PHE 7 HE1 PHE 7 5.233 4.603 7.799 59 HE2 PHE 7 HE2 PHE 7 3.794 8.395 6.351 60 HZ PHE 7 HZ PHE 7 5.616 6.991 7.295 61 H VAL 8 H VAL 8 2.957 3.980 3.408 62 HA VAL 8 HA VAL 8 3.629 1.301 4.499 63 HB VAL 8 HB VAL 8 3.610 2.180 1.581 64 HG11 VAL 8 HG11 VAL 8 5.481 0.749 1.980 65 HG12 VAL 8 HG12 VAL 8 4.487 -0.466 2.795 66 HG13 VAL 8 HG13 VAL 8 4.281 -0.150 1.055 67 HG21 VAL 8 HG21 VAL 8 1.863 0.137 2.990 68 HG22 VAL 8 HG22 VAL 8 1.344 1.654 2.234 69 HG23 VAL 8 HG23 VAL 8 1.969 0.353 1.231 70 H GLY 9 H GLY 9 5.920 1.355 5.189 71 HA2 GLY 9 HA2 GLY 9 7.593 3.375 3.853 72 HA3 GLY 9 HA3 GLY 9 7.395 3.587 5.567 73 H SER 10 H SER 10 9.798 3.448 5.056 74 HA SER 10 HA SER 10 11.778 2.542 5.539 75 HB2 SER 10 HB2 SER 10 10.132 0.918 6.991 76 HB3 SER 10 HB3 SER 10 10.840 -0.253 5.892 77 HG SER 10 HG SER 10 11.928 0.230 7.949 78 H LEU 11 H LEU 11 10.275 2.320 2.852 79 HA LEU 11 HA LEU 11 11.204 0.029 1.470 80 HB2 LEU 11 HB2 LEU 11 10.122 2.719 0.595 81 HB3 LEU 11 HB3 LEU 11 10.707 1.573 -0.585 82 HG LEU 11 HG LEU 11 9.101 -0.071 -0.035 83 HD11 LEU 11 HD11 LEU 11 8.908 0.278 2.471 84 HD12 LEU 11 HD12 LEU 11 7.412 0.050 1.641 85 HD13 LEU 11 HD13 LEU 11 7.892 1.696 2.159 86 HD21 LEU 11 HD21 LEU 11 8.316 1.710 -1.504 87 HD22 LEU 11 HD22 LEU 11 7.801 2.692 -0.118 88 HD23 LEU 11 HD23 LEU 11 6.975 1.161 -0.501 89 HA PRO 12 HA PRO 12 15.422 1.010 0.516 90 HB2 PRO 12 HB2 PRO 12 15.585 -0.299 -2.014 91 HB3 PRO 12 HB3 PRO 12 15.868 -1.033 -0.427 92 HG2 PRO 12 HG2 PRO 12 13.500 -1.173 -2.223 93 HG3 PRO 12 HG3 PRO 12 14.045 -2.349 -0.988 94 HD2 PRO 12 HD2 PRO 12 11.896 -0.585 -0.714 95 HD3 PRO 12 HD3 PRO 12 12.764 -1.358 0.638 96 H ARG 13 H ARG 13 16.815 1.965 -1.221 97 HA ARG 13 HA ARG 13 15.478 4.268 -2.471 98 HB2 ARG 13 HB2 ARG 13 18.366 3.283 -2.619 99 HB3 ARG 13 HB3 ARG 13 17.747 4.754 -3.364 100 HG2 ARG 13 HG2 ARG 13 16.879 4.989 -0.705 101 HG3 ARG 13 HG3 ARG 13 18.459 4.218 -0.535 102 HD2 ARG 13 HD2 ARG 13 17.864 6.736 -2.136 103 HD3 ARG 13 HD3 ARG 13 18.480 6.740 -0.498 104 HE ARG 13 HE ARG 13 19.932 5.789 -2.933 105 HH11 ARG 13 HH11 ARG 13 20.180 6.984 0.448 106 HH12 ARG 13 HH12 ARG 13 21.908 6.989 0.387 107 HH21 ARG 13 HH21 ARG 13 22.166 5.846 -2.939 108 HH22 ARG 13 HH22 ARG 13 23.041 6.285 -1.492 109 H ASP 14 H ASP 14 16.783 1.137 -3.457 110 HA ASP 14 HA ASP 14 16.398 1.545 -6.311 111 HB2 ASP 14 HB2 ASP 14 18.019 -0.123 -4.888 112 HB3 ASP 14 HB3 ASP 14 16.711 -1.184 -5.357 113 H ILE 15 H ILE 15 14.010 1.522 -4.202 114 HA ILE 15 HA ILE 15 12.409 -0.733 -4.760 115 HB ILE 15 HB ILE 15 12.020 0.778 -2.899 116 HG12 ILE 15 HG12 ILE 15 9.530 1.053 -3.186 117 HG13 ILE 15 HG13 ILE 15 9.703 0.490 -4.863 118 HG21 ILE 15 HG21 ILE 15 11.117 2.969 -3.121 119 HG22 ILE 15 HG22 ILE 15 12.554 2.928 -4.124 120 HG23 ILE 15 HG23 ILE 15 10.968 2.796 -4.898 121 HD11 ILE 15 HD11 ILE 15 9.092 -1.176 -2.870 122 HD12 ILE 15 HD12 ILE 15 10.113 -1.676 -4.214 123 HD13 ILE 15 HD13 ILE 15 10.838 -1.224 -2.646 124 H THR 16 H THR 16 10.801 -1.170 -6.443 125 HA THR 16 HA THR 16 10.752 0.711 -8.709 126 HB THR 16 HB THR 16 10.668 -1.508 -10.001 127 HG1 THR 16 HG1 THR 16 11.940 -3.149 -8.795 128 HG21 THR 16 HG21 THR 16 12.600 -0.079 -10.167 129 HG22 THR 16 HG22 THR 16 13.165 -1.739 -9.901 130 HG23 THR 16 HG23 THR 16 13.205 -0.588 -8.578 131 H ALA 17 H ALA 17 8.827 0.826 -9.830 132 HA ALA 17 HA ALA 17 6.450 0.554 -8.317 133 HB1 ALA 17 HB1 ALA 17 6.671 2.176 -10.132 134 HB2 ALA 17 HB2 ALA 17 6.864 0.864 -11.320 135 HB3 ALA 17 HB3 ALA 17 5.324 1.075 -10.462 136 H VAL 18 H VAL 18 8.106 -1.703 -10.546 137 HA VAL 18 HA VAL 18 5.853 -3.376 -10.969 138 HB VAL 18 HB VAL 18 7.895 -3.483 -12.366 139 HG11 VAL 18 HG11 VAL 18 9.866 -4.701 -11.691 140 HG12 VAL 18 HG12 VAL 18 9.646 -3.279 -10.675 141 HG13 VAL 18 HG13 VAL 18 9.246 -4.897 -10.050 142 HG21 VAL 18 HG21 VAL 18 7.252 -6.163 -11.075 143 HG22 VAL 18 HG22 VAL 18 6.284 -5.360 -12.337 144 HG23 VAL 18 HG23 VAL 18 7.928 -5.871 -12.699 145 H GLU 19 H GLU 19 8.275 -3.232 -8.309 146 HA GLU 19 HA GLU 19 7.329 -5.680 -7.116 147 HB2 GLU 19 HB2 GLU 19 9.181 -3.400 -6.379 148 HB3 GLU 19 HB3 GLU 19 8.695 -4.517 -5.130 149 HG2 GLU 19 HG2 GLU 19 9.848 -5.484 -7.780 150 HG3 GLU 19 HG3 GLU 19 10.870 -5.020 -6.438 151 H LEU 20 H LEU 20 6.689 -2.215 -6.633 152 HA LEU 20 HA LEU 20 4.930 -2.453 -4.423 153 HB2 LEU 20 HB2 LEU 20 5.830 -0.452 -6.387 154 HB3 LEU 20 HB3 LEU 20 4.129 -0.264 -6.080 155 HG LEU 20 HG LEU 20 4.505 0.003 -3.678 156 HD11 LEU 20 HD11 LEU 20 7.421 -0.533 -4.383 157 HD12 LEU 20 HD12 LEU 20 6.418 -1.454 -3.241 158 HD13 LEU 20 HD13 LEU 20 6.890 0.190 -2.840 159 HD21 LEU 20 HD21 LEU 20 6.451 1.614 -5.411 160 HD22 LEU 20 HD22 LEU 20 5.815 2.088 -3.796 161 HD23 LEU 20 HD23 LEU 20 4.721 1.950 -5.177 162 H GLN 21 H GLN 21 4.203 -2.353 -7.940 163 HA GLN 21 HA GLN 21 1.391 -2.535 -7.675 164 HB2 GLN 21 HB2 GLN 21 3.376 -3.221 -9.869 165 HB3 GLN 21 HB3 GLN 21 1.662 -3.561 -10.088 166 HG2 GLN 21 HG2 GLN 21 2.644 -0.774 -9.361 167 HG3 GLN 21 HG3 GLN 21 2.593 -1.352 -11.025 168 HE21 GLN 21 HE21 GLN 21 0.819 -0.181 -11.924 169 HE22 GLN 21 HE22 GLN 21 -0.780 -0.198 -11.181 170 H ASN 22 H ASN 22 3.927 -5.033 -7.905 171 HA ASN 22 HA ASN 22 2.177 -7.303 -7.965 172 HB2 ASN 22 HB2 ASN 22 4.454 -7.468 -8.780 173 HB3 ASN 22 HB3 ASN 22 5.108 -6.850 -7.269 174 HD21 ASN 22 HD21 ASN 22 6.076 -8.388 -6.063 175 HD22 ASN 22 HD22 ASN 22 5.501 -10.018 -5.895 176 H HIS 23 H HIS 23 3.820 -5.646 -5.212 177 HA HIS 23 HA HIS 23 3.103 -7.631 -3.294 178 HB2 HIS 23 HB2 HIS 23 4.623 -5.252 -3.313 179 HB3 HIS 23 HB3 HIS 23 3.322 -4.922 -2.182 180 HD2 HIS 23 HD2 HIS 23 3.517 -6.053 0.163 181 HE1 HIS 23 HE1 HIS 23 6.731 -8.725 -0.641 182 HE2 HIS 23 HE2 HIS 23 5.165 -7.788 1.183 183 H PHE 24 H PHE 24 1.459 -4.637 -4.317 184 HA PHE 24 HA PHE 24 -0.882 -5.298 -2.570 185 HB2 PHE 24 HB2 PHE 24 -0.109 -2.743 -3.995 186 HB3 PHE 24 HB3 PHE 24 -1.529 -2.960 -2.980 187 HD1 PHE 24 HD2 PHE 24 -1.124 -3.831 -0.519 188 HD2 PHE 24 HD1 PHE 24 1.925 -2.041 -2.973 189 HE1 PHE 24 HE2 PHE 24 0.185 -3.242 1.517 190 HE2 PHE 24 HE1 PHE 24 3.159 -1.334 -0.965 191 HZ PHE 24 HZ PHE 24 2.314 -1.997 1.307 192 H LYS 25 H LYS 25 -0.075 -6.201 -5.597 193 HA LYS 25 HA LYS 25 -2.207 -5.607 -7.214 194 HB2 LYS 25 HB2 LYS 25 -0.002 -7.346 -7.195 195 HB3 LYS 25 HB3 LYS 25 -1.349 -8.439 -7.327 196 HG2 LYS 25 HG2 LYS 25 -2.183 -7.153 -9.260 197 HG3 LYS 25 HG3 LYS 25 -0.767 -6.087 -9.162 198 HD2 LYS 25 HD2 LYS 25 0.727 -8.091 -9.321 199 HD3 LYS 25 HD3 LYS 25 -0.698 -9.118 -9.545 200 HE2 LYS 25 HE2 LYS 25 -1.248 -7.931 -11.616 201 HE3 LYS 25 HE3 LYS 25 0.104 -6.815 -11.346 202 HZ1 LYS 25 HZ1 LYS 25 0.706 -8.564 -12.857 203 HZ2 LYS 25 HZ2 LYS 25 0.356 -9.730 -11.718 204 HZ3 LYS 25 HZ3 LYS 25 1.607 -8.679 -11.486 205 H ASN 26 H ASN 26 -2.027 -8.240 -4.803 206 HA ASN 26 HA ASN 26 -4.591 -9.348 -5.121 207 HB2 ASN 26 HB2 ASN 26 -2.949 -8.899 -2.592 208 HB3 ASN 26 HB3 ASN 26 -4.423 -9.850 -2.643 209 HD21 ASN 26 HD21 ASN 26 -1.371 -10.362 -2.201 210 HD22 ASN 26 HD22 ASN 26 -1.181 -11.884 -3.036 211 H SER 27 H SER 27 -3.612 -6.454 -3.207 212 HA SER 27 HA SER 27 -6.282 -6.101 -2.090 213 HB2 SER 27 HB2 SER 27 -5.103 -4.040 -1.088 214 HB3 SER 27 HB3 SER 27 -4.658 -5.634 -0.538 215 HG SER 27 HG SER 27 -3.234 -4.433 -2.652 216 H SER 28 H SER 28 -4.792 -5.239 -5.008 217 HA SER 28 HA SER 28 -5.300 -3.770 -6.680 218 HB2 SER 28 HB2 SER 28 -8.182 -3.633 -5.968 219 HB3 SER 28 HB3 SER 28 -7.405 -3.986 -7.499 220 HG SER 28 HG SER 28 -7.271 -6.071 -6.943 221 HA PRO 29 HA PRO 29 -5.558 0.106 -4.007 222 HB2 PRO 29 HB2 PRO 29 -3.182 1.227 -4.778 223 HB3 PRO 29 HB3 PRO 29 -3.303 0.029 -3.450 224 HG2 PRO 29 HG2 PRO 29 -2.643 -0.499 -6.373 225 HG3 PRO 29 HG3 PRO 29 -1.702 -1.023 -4.934 226 HD2 PRO 29 HD2 PRO 29 -3.434 -2.703 -6.110 227 HD3 PRO 29 HD3 PRO 29 -3.408 -2.576 -4.317 228 H ASP 30 H ASP 30 -6.055 2.218 -4.856 229 HA ASP 30 HA ASP 30 -6.881 2.168 -7.652 230 HB2 ASP 30 HB2 ASP 30 -8.419 3.024 -5.861 231 HB3 ASP 30 HB3 ASP 30 -7.278 4.331 -5.538 232 H GLN 31 H GLN 31 -4.936 4.060 -5.371 233 HA GLN 31 HA GLN 31 -3.356 5.056 -7.646 234 HB2 GLN 31 HB2 GLN 31 -4.978 6.621 -6.160 235 HB3 GLN 31 HB3 GLN 31 -3.533 6.762 -5.174 236 HG2 GLN 31 HG2 GLN 31 -3.980 7.462 -8.111 237 HG3 GLN 31 HG3 GLN 31 -3.898 8.606 -6.763 238 HE21 GLN 31 HE21 GLN 31 -2.076 6.785 -9.063 239 HE22 GLN 31 HE22 GLN 31 -0.632 7.596 -8.549 240 H ILE 32 H ILE 32 -1.069 5.488 -7.135 241 HA ILE 32 HA ILE 32 0.017 4.251 -4.707 242 HB ILE 32 HB ILE 32 0.826 3.381 -7.527 243 HG12 ILE 32 HG12 ILE 32 -0.362 1.600 -5.375 244 HG13 ILE 32 HG13 ILE 32 -1.326 2.292 -6.678 245 HG21 ILE 32 HG21 ILE 32 2.748 3.533 -5.944 246 HG22 ILE 32 HG22 ILE 32 1.883 2.488 -4.798 247 HG23 ILE 32 HG23 ILE 32 2.421 1.869 -6.367 248 HD11 ILE 32 HD11 ILE 32 0.994 0.399 -7.142 249 HD12 ILE 32 HD12 ILE 32 -0.733 0.067 -7.302 250 HD13 ILE 32 HD13 ILE 32 0.050 1.223 -8.385 251 H ARG 33 H ARG 33 1.404 5.802 -4.015 252 HA ARG 33 HA ARG 33 2.985 7.279 -6.047 253 HB2 ARG 33 HB2 ARG 33 0.988 8.509 -4.691 254 HB3 ARG 33 HB3 ARG 33 2.264 8.727 -3.520 255 HG2 ARG 33 HG2 ARG 33 2.302 9.528 -6.451 256 HG3 ARG 33 HG3 ARG 33 2.197 10.601 -5.056 257 HD2 ARG 33 HD2 ARG 33 4.512 10.135 -4.437 258 HD3 ARG 33 HD3 ARG 33 4.634 8.867 -5.674 259 HE ARG 33 HE ARG 33 4.037 11.663 -6.413 260 HH11 ARG 33 HH11 ARG 33 6.632 9.187 -6.326 261 HH12 ARG 33 HH12 ARG 33 7.434 9.866 -7.699 262 HH21 ARG 33 HH21 ARG 33 5.004 12.349 -8.360 263 HH22 ARG 33 HH22 ARG 33 6.373 11.489 -9.010 264 H LEU 34 H LEU 34 4.983 6.439 -5.772 265 HA LEU 34 HA LEU 34 5.929 5.611 -3.084 266 HB2 LEU 34 HB2 LEU 34 6.172 4.062 -4.960 267 HB3 LEU 34 HB3 LEU 34 7.023 5.231 -5.918 268 HG LEU 34 HG LEU 34 8.382 3.281 -4.758 269 HD11 LEU 34 HD11 LEU 34 9.256 6.217 -4.646 270 HD12 LEU 34 HD12 LEU 34 9.510 5.041 -5.947 271 HD13 LEU 34 HD13 LEU 34 10.323 4.862 -4.391 272 HD21 LEU 34 HD21 LEU 34 7.369 3.684 -2.500 273 HD22 LEU 34 HD22 LEU 34 8.327 5.175 -2.373 274 HD23 LEU 34 HD23 LEU 34 9.130 3.626 -2.536 275 H ARG 35 H ARG 35 7.211 7.006 -1.912 276 HA ARG 35 HA ARG 35 8.599 9.253 -3.304 277 HB2 ARG 35 HB2 ARG 35 6.885 9.172 -0.875 278 HB3 ARG 35 HB3 ARG 35 8.367 10.074 -0.707 279 HG2 ARG 35 HG2 ARG 35 6.700 10.650 -3.152 280 HG3 ARG 35 HG3 ARG 35 6.117 11.218 -1.566 281 HD2 ARG 35 HD2 ARG 35 8.160 12.329 -1.086 282 HD3 ARG 35 HD3 ARG 35 8.915 11.717 -2.579 283 HE ARG 35 HE ARG 35 6.472 13.241 -2.985 284 HH11 ARG 35 HH11 ARG 35 10.035 13.514 -2.799 285 HH12 ARG 35 HH12 ARG 35 10.065 15.181 -3.249 286 HH21 ARG 35 HH21 ARG 35 6.545 15.360 -3.762 287 HH22 ARG 35 HH22 ARG 35 8.009 16.284 -3.718 288 H ALA 36 H ALA 36 10.443 8.015 -3.636 289 HA ALA 36 HA ALA 36 11.633 6.289 -1.687 290 HB1 ALA 36 HB1 ALA 36 13.024 7.832 -3.904 291 HB2 ALA 36 HB2 ALA 36 13.626 6.384 -3.082 292 HB3 ALA 36 HB3 ALA 36 12.194 6.262 -4.118 293 H ASP 37 H ASP 37 11.510 9.716 -1.942 294 HA ASP 37 HA ASP 37 13.751 10.782 -0.849 295 HB2 ASP 37 HB2 ASP 37 10.825 11.432 -0.406 296 HB3 ASP 37 HB3 ASP 37 12.120 12.447 0.224 297 H LYS 38 H LYS 38 11.074 9.243 0.870 298 HA LYS 38 HA LYS 38 12.705 9.045 3.341 299 HB2 LYS 38 HB2 LYS 38 10.022 10.264 2.907 300 HB3 LYS 38 HB3 LYS 38 10.078 9.141 4.258 301 HG2 LYS 38 HG2 LYS 38 12.154 11.313 3.938 302 HG3 LYS 38 HG3 LYS 38 10.585 11.612 4.710 303 HD2 LYS 38 HD2 LYS 38 10.966 9.874 6.377 304 HD3 LYS 38 HD3 LYS 38 12.455 9.379 5.561 305 HE2 LYS 38 HE2 LYS 38 13.446 11.606 6.027 306 HE3 LYS 38 HE3 LYS 38 11.977 12.074 6.896 307 HZ1 LYS 38 HZ1 LYS 38 13.713 11.304 8.369 308 HZ2 LYS 38 HZ2 LYS 38 13.730 9.808 7.647 309 HZ3 LYS 38 HZ3 LYS 38 12.403 10.345 8.486 310 H GLY 39 H GLY 39 11.662 7.288 0.829 311 HA2 GLY 39 HA2 GLY 39 11.303 5.047 0.512 312 HA3 GLY 39 HA3 GLY 39 11.888 4.793 2.169 313 H ILE 40 H ILE 40 8.996 6.669 1.049 314 HA ILE 40 HA ILE 40 7.263 4.726 2.409 315 HB ILE 40 HB ILE 40 5.884 7.002 2.916 316 HG12 ILE 40 HG12 ILE 40 7.506 8.669 3.903 317 HG13 ILE 40 HG13 ILE 40 8.774 7.851 3.007 318 HG21 ILE 40 HG21 ILE 40 6.428 5.416 4.650 319 HG22 ILE 40 HG22 ILE 40 8.160 5.874 4.617 320 HG23 ILE 40 HG23 ILE 40 6.905 7.000 5.209 321 HD11 ILE 40 HD11 ILE 40 6.459 9.410 1.887 322 HD12 ILE 40 HD12 ILE 40 8.180 9.800 1.797 323 HD13 ILE 40 HD13 ILE 40 7.580 8.388 0.931 324 H ALA 41 H ALA 41 5.008 4.930 1.757 325 HA ALA 41 HA ALA 41 4.598 6.060 -0.923 326 HB1 ALA 41 HB1 ALA 41 3.730 3.961 -1.847 327 HB2 ALA 41 HB2 ALA 41 5.422 3.753 -1.353 328 HB3 ALA 41 HB3 ALA 41 4.117 3.110 -0.346 329 H PHE 42 H PHE 42 2.399 6.285 -1.467 330 HA PHE 42 HA PHE 42 0.444 5.956 0.784 331 HB2 PHE 42 HB2 PHE 42 0.431 8.179 -1.308 332 HB3 PHE 42 HB3 PHE 42 -0.803 7.872 -0.113 333 HD1 PHE 42 HD1 PHE 42 2.567 9.204 -0.656 334 HD2 PHE 42 HD2 PHE 42 -0.543 8.544 2.229 335 HE1 PHE 42 HE1 PHE 42 3.779 10.678 0.938 336 HE2 PHE 42 HE2 PHE 42 0.607 10.097 3.803 337 HZ PHE 42 HZ PHE 42 2.744 11.155 3.173 338 H LEU 43 H LEU 43 -1.378 4.853 0.149 339 HA LEU 43 HA LEU 43 -1.766 4.309 -2.729 340 HB2 LEU 43 HB2 LEU 43 -1.864 2.258 -0.481 341 HB3 LEU 43 HB3 LEU 43 -2.427 2.016 -2.132 342 HG LEU 43 HG LEU 43 0.078 2.712 -2.753 343 HD11 LEU 43 HD11 LEU 43 1.696 1.765 -1.106 344 HD12 LEU 43 HD12 LEU 43 0.361 1.519 0.037 345 HD13 LEU 43 HD13 LEU 43 0.854 3.150 -0.413 346 HD21 LEU 43 HD21 LEU 43 -0.730 -0.015 -1.650 347 HD22 LEU 43 HD22 LEU 43 0.682 0.305 -2.675 348 HD23 LEU 43 HD23 LEU 43 -0.945 0.569 -3.315 349 H GLU 44 H GLU 44 -3.840 4.831 -3.261 350 HA GLU 44 HA GLU 44 -5.769 5.481 -1.069 351 HB2 GLU 44 HB2 GLU 44 -5.755 6.055 -4.064 352 HB3 GLU 44 HB3 GLU 44 -7.047 6.523 -2.960 353 HG2 GLU 44 HG2 GLU 44 -5.651 8.105 -1.820 354 HG3 GLU 44 HG3 GLU 44 -4.191 7.510 -2.627 355 H PHE 45 H PHE 45 -7.856 4.455 -1.153 356 HA PHE 45 HA PHE 45 -8.321 2.342 -3.198 357 HB2 PHE 45 HB2 PHE 45 -8.511 2.021 -0.167 358 HB3 PHE 45 HB3 PHE 45 -9.113 0.878 -1.351 359 HD1 PHE 45 HD2 PHE 45 -5.917 2.517 -0.185 360 HD2 PHE 45 HD1 PHE 45 -7.781 -0.938 -1.980 361 HE1 PHE 45 HE2 PHE 45 -3.805 1.268 -0.003 362 HE2 PHE 45 HE1 PHE 45 -5.713 -2.197 -1.656 363 HZ PHE 45 HZ PHE 45 -3.663 -1.102 -0.750 364 H ASP 46 H ASP 46 -10.185 3.020 -4.105 365 HA ASP 46 HA ASP 46 -12.095 4.792 -2.741 366 HB2 ASP 46 HB2 ASP 46 -11.634 5.153 -5.085 367 HB3 ASP 46 HB3 ASP 46 -12.153 3.511 -5.481 368 H ALA 47 H ALA 47 -13.586 4.109 -1.454 369 HA ALA 47 HA ALA 47 -14.346 1.330 -1.087 370 HB1 ALA 47 HB1 ALA 47 -15.444 2.127 0.885 371 HB2 ALA 47 HB2 ALA 47 -13.921 3.038 0.759 372 HB3 ALA 47 HB3 ALA 47 -15.440 3.794 0.276 373 H ASP 48 H ASP 48 -15.531 4.019 -2.958 374 HA ASP 48 HA ASP 48 -18.337 3.099 -2.825 375 HB2 ASP 48 HB2 ASP 48 -17.701 5.513 -3.247 376 HB3 ASP 48 HB3 ASP 48 -17.120 5.020 -4.848 377 H LYS 49 H LYS 49 -15.351 2.674 -4.740 378 HA LYS 49 HA LYS 49 -16.411 1.459 -7.009 379 HB2 LYS 49 HB2 LYS 49 -14.044 2.332 -6.499 380 HB3 LYS 49 HB3 LYS 49 -13.740 0.774 -5.699 381 HG2 LYS 49 HG2 LYS 49 -14.177 -0.419 -7.782 382 HG3 LYS 49 HG3 LYS 49 -14.786 1.090 -8.496 383 HD2 LYS 49 HD2 LYS 49 -12.530 2.078 -8.392 384 HD3 LYS 49 HD3 LYS 49 -11.893 0.583 -7.659 385 HE2 LYS 49 HE2 LYS 49 -12.317 -0.694 -9.647 386 HE3 LYS 49 HE3 LYS 49 -13.306 0.604 -10.344 387 HZ1 LYS 49 HZ1 LYS 49 -11.316 1.969 -10.480 388 HZ2 LYS 49 HZ2 LYS 49 -11.179 0.570 -11.351 389 HZ3 LYS 49 HZ3 LYS 49 -10.388 0.743 -9.907 390 H ASP 50 H ASP 50 -15.625 -0.015 -3.808 391 HA ASP 50 HA ASP 50 -17.119 -2.415 -4.632 392 HB2 ASP 50 HB2 ASP 50 -14.691 -2.764 -5.260 393 HB3 ASP 50 HB3 ASP 50 -14.311 -2.695 -3.536 394 H ARG 51 H ARG 51 -18.650 -2.024 -3.182 395 HA ARG 51 HA ARG 51 -18.423 -0.910 -0.662 396 HB2 ARG 51 HB2 ARG 51 -20.423 -2.838 -1.923 397 HB3 ARG 51 HB3 ARG 51 -20.628 -2.370 -0.262 398 HG2 ARG 51 HG2 ARG 51 -20.466 -0.291 -2.480 399 HG3 ARG 51 HG3 ARG 51 -21.962 -1.073 -1.970 400 HD2 ARG 51 HD2 ARG 51 -21.955 0.892 -0.692 401 HD3 ARG 51 HD3 ARG 51 -21.398 -0.339 0.432 402 HE ARG 51 HE ARG 51 -19.423 1.221 -1.110 403 HH11 ARG 51 HH11 ARG 51 -21.112 0.972 2.051 404 HH12 ARG 51 HH12 ARG 51 -20.035 2.071 2.812 405 HH21 ARG 51 HH21 ARG 51 -17.757 2.121 0.059 406 HH22 ARG 51 HH22 ARG 51 -17.950 2.579 1.748 407 H THR 52 H THR 52 -17.767 -4.335 -1.355 408 HA THR 52 HA THR 52 -17.370 -4.616 1.604 409 HB THR 52 HB THR 52 -19.289 -5.865 0.439 410 HG1 THR 52 HG1 THR 52 -19.207 -6.663 2.313 411 HG21 THR 52 HG21 THR 52 -16.999 -7.760 -0.117 412 HG22 THR 52 HG22 THR 52 -17.876 -6.836 -1.359 413 HG23 THR 52 HG23 THR 52 -18.728 -8.062 -0.387 414 H GLY 53 H GLY 53 -15.902 -4.924 -1.608 415 HA2 GLY 53 HA2 GLY 53 -13.724 -6.533 -0.769 416 HA3 GLY 53 HA3 GLY 53 -13.784 -5.513 -2.215 417 H ILE 54 H ILE 54 -14.332 -3.042 -0.591 418 HA ILE 54 HA ILE 54 -11.788 -2.061 -0.280 419 HB ILE 54 HB ILE 54 -13.854 -0.717 -0.400 420 HG12 ILE 54 HG12 ILE 54 -13.286 0.950 1.488 421 HG13 ILE 54 HG13 ILE 54 -12.094 -0.188 2.028 422 HG21 ILE 54 HG21 ILE 54 -15.310 -2.061 1.109 423 HG22 ILE 54 HG22 ILE 54 -14.393 -1.443 2.499 424 HG23 ILE 54 HG23 ILE 54 -15.317 -0.336 1.479 425 HD11 ILE 54 HD11 ILE 54 -11.013 1.487 0.655 426 HD12 ILE 54 HD12 ILE 54 -10.992 -0.037 -0.250 427 HD13 ILE 54 HD13 ILE 54 -12.151 1.212 -0.673 428 H GLN 55 H GLN 55 -13.730 -3.688 2.259 429 HA GLN 55 HA GLN 55 -11.880 -3.191 4.362 430 HB2 GLN 55 HB2 GLN 55 -14.213 -3.673 4.722 431 HB3 GLN 55 HB3 GLN 55 -14.081 -5.271 3.997 432 HG2 GLN 55 HG2 GLN 55 -14.239 -5.149 6.495 433 HG3 GLN 55 HG3 GLN 55 -12.878 -6.087 5.866 434 HE21 GLN 55 HE21 GLN 55 -10.760 -5.325 6.146 435 HE22 GLN 55 HE22 GLN 55 -10.290 -3.990 7.144 436 H ARG 56 H ARG 56 -12.573 -6.273 2.653 437 HA ARG 56 HA ARG 56 -10.321 -7.618 3.687 438 HB2 ARG 56 HB2 ARG 56 -11.725 -8.223 1.054 439 HB3 ARG 56 HB3 ARG 56 -10.634 -9.299 1.962 440 HG2 ARG 56 HG2 ARG 56 -12.223 -8.766 3.999 441 HG3 ARG 56 HG3 ARG 56 -13.387 -8.274 2.764 442 HD2 ARG 56 HD2 ARG 56 -13.399 -10.540 1.847 443 HD3 ARG 56 HD3 ARG 56 -12.055 -11.001 2.905 444 HE ARG 56 HE ARG 56 -13.402 -10.794 4.816 445 HH11 ARG 56 HH11 ARG 56 -15.392 -10.620 1.832 446 HH12 ARG 56 HH12 ARG 56 -16.875 -10.838 2.684 447 HH21 ARG 56 HH21 ARG 56 -15.395 -10.727 5.913 448 HH22 ARG 56 HH22 ARG 56 -16.883 -10.886 5.037 449 H ARG 57 H ARG 57 -10.419 -5.354 0.990 450 HA ARG 57 HA ARG 57 -7.767 -5.978 0.029 451 HB2 ARG 57 HB2 ARG 57 -9.632 -3.594 -0.190 452 HB3 ARG 57 HB3 ARG 57 -7.991 -3.544 -0.852 453 HG2 ARG 57 HG2 ARG 57 -8.472 -5.497 -2.258 454 HG3 ARG 57 HG3 ARG 57 -10.082 -5.661 -1.587 455 HD2 ARG 57 HD2 ARG 57 -10.844 -3.634 -2.511 456 HD3 ARG 57 HD3 ARG 57 -9.217 -3.021 -2.815 457 HE ARG 57 HE ARG 57 -8.887 -4.733 -4.499 458 HH11 ARG 57 HH11 ARG 57 -12.154 -3.602 -3.952 459 HH12 ARG 57 HH12 ARG 57 -12.968 -4.778 -4.941 460 HH21 ARG 57 HH21 ARG 57 -9.725 -5.870 -6.213 461 HH22 ARG 57 HH22 ARG 57 -11.422 -5.874 -6.589 462 H MET 58 H MET 58 -9.051 -3.717 2.555 463 HA MET 58 HA MET 58 -6.491 -2.515 3.067 464 HB2 MET 58 HB2 MET 58 -9.108 -2.720 4.652 465 HB3 MET 58 HB3 MET 58 -7.633 -2.207 5.457 466 HG2 MET 58 HG2 MET 58 -7.339 -0.387 3.883 467 HG3 MET 58 HG3 MET 58 -8.855 -0.813 3.064 468 HE1 MET 58 HE1 MET 58 -11.201 -0.616 4.141 469 HE2 MET 58 HE2 MET 58 -11.493 0.961 4.922 470 HE3 MET 58 HE3 MET 58 -10.629 0.889 3.372 471 H ASP 59 H ASP 59 -8.300 -5.314 4.462 472 HA ASP 59 HA ASP 59 -6.479 -6.094 6.467 473 HB2 ASP 59 HB2 ASP 59 -8.167 -7.853 4.643 474 HB3 ASP 59 HB3 ASP 59 -7.272 -8.443 6.019 475 H ILE 60 H ILE 60 -6.586 -7.041 3.007 476 HA ILE 60 HA ILE 60 -4.274 -8.699 3.033 477 HB ILE 60 HB ILE 60 -5.743 -7.177 0.851 478 HG12 ILE 60 HG12 ILE 60 -5.487 -10.191 1.210 479 HG13 ILE 60 HG13 ILE 60 -6.724 -9.271 2.053 480 HG21 ILE 60 HG21 ILE 60 -3.402 -7.394 0.057 481 HG22 ILE 60 HG22 ILE 60 -3.428 -9.125 0.430 482 HG23 ILE 60 HG23 ILE 60 -4.476 -8.446 -0.839 483 HD11 ILE 60 HD11 ILE 60 -6.441 -9.508 -0.969 484 HD12 ILE 60 HD12 ILE 60 -7.702 -10.202 0.063 485 HD13 ILE 60 HD13 ILE 60 -7.601 -8.445 -0.146 486 H ALA 61 H ALA 61 -4.623 -5.171 2.515 487 HA ALA 61 HA ALA 61 -1.863 -4.790 1.795 488 HB1 ALA 61 HB1 ALA 61 -2.315 -2.419 2.177 489 HB2 ALA 61 HB2 ALA 61 -3.642 -3.148 1.252 490 HB3 ALA 61 HB3 ALA 61 -3.845 -2.798 2.986 491 H LEU 62 H LEU 62 -3.682 -4.643 4.896 492 HA LEU 62 HA LEU 62 -1.484 -3.778 6.521 493 HB2 LEU 62 HB2 LEU 62 -4.056 -5.282 7.106 494 HB3 LEU 62 HB3 LEU 62 -2.883 -4.940 8.369 495 HG LEU 62 HG LEU 62 -4.073 -2.726 6.647 496 HD11 LEU 62 HD11 LEU 62 -5.050 -3.811 9.320 497 HD12 LEU 62 HD12 LEU 62 -5.899 -3.899 7.765 498 HD13 LEU 62 HD13 LEU 62 -5.642 -2.331 8.540 499 HD21 LEU 62 HD21 LEU 62 -3.397 -1.314 8.604 500 HD22 LEU 62 HD22 LEU 62 -2.013 -2.082 7.825 501 HD23 LEU 62 HD23 LEU 62 -2.650 -2.733 9.351 502 H LEU 63 H LEU 63 -2.494 -6.962 5.377 503 HA LEU 63 HA LEU 63 -0.763 -8.438 7.098 504 HB2 LEU 63 HB2 LEU 63 -2.179 -9.005 4.482 505 HB3 LEU 63 HB3 LEU 63 -0.989 -10.162 5.054 506 HG LEU 63 HG LEU 63 -3.216 -9.215 6.897 507 HD11 LEU 63 HD11 LEU 63 -4.502 -11.223 6.203 508 HD12 LEU 63 HD12 LEU 63 -3.336 -11.499 4.884 509 HD13 LEU 63 HD13 LEU 63 -4.343 -10.032 4.904 510 HD21 LEU 63 HD21 LEU 63 -2.788 -11.411 7.959 511 HD22 LEU 63 HD22 LEU 63 -1.316 -10.441 7.913 512 HD23 LEU 63 HD23 LEU 63 -1.538 -11.767 6.754 513 H GLN 64 H GLN 64 0.034 -6.316 4.549 514 HA GLN 64 HA GLN 64 2.545 -7.696 3.898 515 HB2 GLN 64 HB2 GLN 64 1.706 -4.960 2.944 516 HB3 GLN 64 HB3 GLN 64 2.938 -6.038 2.295 517 HG2 GLN 64 HG2 GLN 64 -0.060 -6.322 2.125 518 HG3 GLN 64 HG3 GLN 64 1.073 -6.066 0.812 519 HE21 GLN 64 HE21 GLN 64 -0.884 -8.368 2.021 520 HE22 GLN 64 HE22 GLN 64 0.057 -9.819 1.637 521 H HIS 65 H HIS 65 1.608 -6.121 6.614 522 HA HIS 65 HA HIS 65 3.688 -4.190 7.028 523 HB2 HIS 65 HB2 HIS 65 1.560 -4.173 8.289 524 HB3 HIS 65 HB3 HIS 65 1.971 -5.721 9.016 525 HD2 HIS 65 HD2 HIS 65 2.351 -5.043 11.509 526 HE1 HIS 65 HE1 HIS 65 5.275 -2.000 10.944 527 HE2 HIS 65 HE2 HIS 65 4.020 -3.368 12.666 528 H GLY 66 H GLY 66 5.768 -4.779 7.074 529 HA2 GLY 66 HA2 GLY 66 7.660 -5.750 8.026 530 HA3 GLY 66 HA3 GLY 66 6.725 -7.006 8.794 531 H THR 67 H THR 67 5.576 -6.994 5.525 532 HA THR 67 HA THR 67 7.034 -9.432 5.109 533 HB THR 67 HB THR 67 6.182 -9.225 2.758 534 HG1 THR 67 HG1 THR 67 6.110 -6.803 3.104 535 HG21 THR 67 HG21 THR 67 3.810 -9.550 3.362 536 HG22 THR 67 HG22 THR 67 4.105 -8.848 4.974 537 HG23 THR 67 HG23 THR 67 4.860 -10.377 4.519 538 H LEU 68 H LEU 68 8.979 -9.774 4.051 539 HA LEU 68 HA LEU 68 10.737 -7.511 3.716 540 HB2 LEU 68 HB2 LEU 68 10.935 -10.492 3.067 541 HB3 LEU 68 HB3 LEU 68 12.244 -9.348 2.780 542 HG LEU 68 HG LEU 68 11.070 -9.798 5.546 543 HD11 LEU 68 HD11 LEU 68 13.106 -11.126 5.994 544 HD12 LEU 68 HD12 LEU 68 13.560 -11.008 4.282 545 HD13 LEU 68 HD13 LEU 68 12.091 -11.896 4.767 546 HD21 LEU 68 HD21 LEU 68 12.278 -7.673 5.202 547 HD22 LEU 68 HD22 LEU 68 13.667 -8.532 4.535 548 HD23 LEU 68 HD23 LEU 68 13.195 -8.754 6.238 549 H LEU 69 H LEU 69 10.986 -6.361 1.917 550 HA LEU 69 HA LEU 69 10.100 -7.406 -0.707 551 HB2 LEU 69 HB2 LEU 69 8.342 -5.861 0.165 552 HB3 LEU 69 HB3 LEU 69 9.577 -4.629 0.460 553 HG LEU 69 HG LEU 69 10.044 -4.453 -1.957 554 HD11 LEU 69 HD11 LEU 69 9.699 -6.555 -2.931 555 HD12 LEU 69 HD12 LEU 69 8.238 -5.703 -3.450 556 HD13 LEU 69 HD13 LEU 69 8.166 -6.805 -2.085 557 HD21 LEU 69 HD21 LEU 69 7.070 -4.298 -1.336 558 HD22 LEU 69 HD22 LEU 69 7.874 -3.539 -2.722 559 HD23 LEU 69 HD23 LEU 69 8.277 -3.014 -1.086 560 H LYS 70 H LYS 70 11.842 -7.330 -2.030 561 HA LYS 70 HA LYS 70 13.907 -6.996 -2.790 562 HB2 LYS 70 HB2 LYS 70 13.308 -4.143 -2.096 563 HB3 LYS 70 HB3 LYS 70 14.531 -4.731 -3.244 564 HG2 LYS 70 HG2 LYS 70 12.894 -5.581 -4.764 565 HG3 LYS 70 HG3 LYS 70 11.592 -5.383 -3.593 566 HD2 LYS 70 HD2 LYS 70 11.161 -3.521 -4.654 567 HD3 LYS 70 HD3 LYS 70 12.415 -2.815 -3.645 568 HE2 LYS 70 HE2 LYS 70 12.659 -3.867 -6.476 569 HE3 LYS 70 HE3 LYS 70 12.573 -2.153 -5.971 570 HZ1 LYS 70 HZ1 LYS 70 14.796 -2.511 -6.332 571 HZ2 LYS 70 HZ2 LYS 70 14.827 -4.057 -5.742 572 HZ3 LYS 70 HZ3 LYS 70 14.765 -2.768 -4.724 573 H GLU 71 H GLU 71 13.943 -8.010 -0.307 574 HA GLU 71 HA GLU 71 15.126 -8.464 1.509 575 HB2 GLU 71 HB2 GLU 71 17.438 -7.258 -0.035 576 HB3 GLU 71 HB3 GLU 71 17.535 -8.308 1.387 577 HG2 GLU 71 HG2 GLU 71 16.101 -9.995 0.031 578 HG3 GLU 71 HG3 GLU 71 16.508 -9.021 -1.385 579 H LYS 72 H LYS 72 13.626 -6.116 1.651 580 HA LYS 72 HA LYS 72 14.973 -4.742 3.920 581 HB2 LYS 72 HB2 LYS 72 13.580 -3.550 1.503 582 HB3 LYS 72 HB3 LYS 72 13.515 -2.716 3.037 583 HG2 LYS 72 HG2 LYS 72 16.179 -3.613 1.860 584 HG3 LYS 72 HG3 LYS 72 15.394 -2.135 1.326 585 HD2 LYS 72 HD2 LYS 72 16.012 -2.691 4.233 586 HD3 LYS 72 HD3 LYS 72 17.107 -1.816 3.155 587 HE2 LYS 72 HE2 LYS 72 15.904 0.100 3.279 588 HE3 LYS 72 HE3 LYS 72 14.402 -0.759 2.939 589 HZ1 LYS 72 HZ1 LYS 72 14.614 -1.483 5.392 590 HZ2 LYS 72 HZ2 LYS 72 14.012 -0.005 4.993 591 HZ3 LYS 72 HZ3 LYS 72 15.566 -0.157 5.545 592 H LYS 73 H LYS 73 13.753 -4.736 5.680 593 HA LYS 73 HA LYS 73 11.097 -6.047 5.686 594 HB2 LYS 73 HB2 LYS 73 13.098 -6.177 7.463 595 HB3 LYS 73 HB3 LYS 73 12.540 -4.595 7.964 596 HG2 LYS 73 HG2 LYS 73 11.474 -5.965 9.441 597 HG3 LYS 73 HG3 LYS 73 10.196 -5.718 8.238 598 HD2 LYS 73 HD2 LYS 73 10.610 -7.908 7.272 599 HD3 LYS 73 HD3 LYS 73 12.111 -8.086 8.181 600 HE2 LYS 73 HE2 LYS 73 10.406 -9.467 9.126 601 HE3 LYS 73 HE3 LYS 73 10.914 -8.226 10.290 602 HZ1 LYS 73 HZ1 LYS 73 8.901 -7.077 9.869 603 HZ2 LYS 73 HZ2 LYS 73 8.555 -8.645 10.234 604 HZ3 LYS 73 HZ3 LYS 73 8.508 -8.192 8.672 605 H ILE 74 H ILE 74 9.426 -4.728 5.017 606 HA ILE 74 HA ILE 74 9.624 -1.808 5.574 607 HB ILE 74 HB ILE 74 8.134 -1.447 3.748 608 HG12 ILE 74 HG12 ILE 74 8.304 -4.420 3.193 609 HG13 ILE 74 HG13 ILE 74 6.883 -3.616 3.856 610 HG21 ILE 74 HG21 ILE 74 9.776 -1.836 1.995 611 HG22 ILE 74 HG22 ILE 74 10.672 -1.596 3.498 612 HG23 ILE 74 HG23 ILE 74 10.443 -3.230 2.840 613 HD11 ILE 74 HD11 ILE 74 6.752 -4.051 1.415 614 HD12 ILE 74 HD12 ILE 74 6.594 -2.318 1.823 615 HD13 ILE 74 HD13 ILE 74 8.103 -2.959 1.144 616 H ASN 75 H ASN 75 7.387 -0.742 5.851 617 HA ASN 75 HA ASN 75 5.797 -2.384 7.802 618 HB2 ASN 75 HB2 ASN 75 5.419 -0.273 9.014 619 HB3 ASN 75 HB3 ASN 75 7.137 -0.704 9.024 620 HD21 ASN 75 HD21 ASN 75 4.634 1.456 7.545 621 HD22 ASN 75 HD22 ASN 75 5.809 2.589 6.894 622 H VAL 76 H VAL 76 3.563 -1.764 8.060 623 HA VAL 76 HA VAL 76 2.408 -0.015 6.023 624 HB VAL 76 HB VAL 76 1.484 -2.906 6.355 625 HG11 VAL 76 HG11 VAL 76 0.057 -2.206 4.312 626 HG12 VAL 76 HG12 VAL 76 -0.425 -1.526 5.864 627 HG13 VAL 76 HG13 VAL 76 0.498 -0.546 4.709 628 HG21 VAL 76 HG21 VAL 76 2.930 -1.555 4.049 629 HG22 VAL 76 HG22 VAL 76 3.512 -2.923 5.028 630 HG23 VAL 76 HG23 VAL 76 2.116 -3.127 3.958 631 H GLU 77 H GLU 77 0.426 0.908 6.757 632 HA GLU 77 HA GLU 77 -0.962 -0.030 9.084 633 HB2 GLU 77 HB2 GLU 77 -0.602 2.174 10.327 634 HB3 GLU 77 HB3 GLU 77 0.673 0.967 10.429 635 HG2 GLU 77 HG2 GLU 77 1.858 2.322 8.576 636 HG3 GLU 77 HG3 GLU 77 0.594 3.545 8.869 637 H LEU 78 H LEU 78 -2.849 1.440 9.525 638 HA LEU 78 HA LEU 78 -3.934 2.476 7.019 639 HB2 LEU 78 HB2 LEU 78 -4.888 1.161 9.424 640 HB3 LEU 78 HB3 LEU 78 -5.605 2.744 9.404 641 HG LEU 78 HG LEU 78 -6.980 1.026 8.406 642 HD11 LEU 78 HD11 LEU 78 -6.117 3.040 6.279 643 HD12 LEU 78 HD12 LEU 78 -7.191 3.401 7.644 644 HD13 LEU 78 HD13 LEU 78 -7.689 2.249 6.411 645 HD21 LEU 78 HD21 LEU 78 -6.512 -0.088 6.335 646 HD22 LEU 78 HD22 LEU 78 -5.154 -0.365 7.426 647 HD23 LEU 78 HD23 LEU 78 -4.994 0.808 6.111 648 H THR 79 H THR 79 -4.826 4.587 6.877 649 HA THR 79 HA THR 79 -4.225 6.583 8.951 650 HB THR 79 HB THR 79 -3.274 8.009 6.971 651 HG1 THR 79 HG1 THR 79 -3.705 5.901 5.602 652 HG21 THR 79 HG21 THR 79 -1.909 7.295 8.912 653 HG22 THR 79 HG22 THR 79 -0.985 7.336 7.401 654 HG23 THR 79 HG23 THR 79 -1.510 5.783 8.058 655 H VAL 80 H VAL 80 -5.738 8.293 8.811 656 HA VAL 80 HA VAL 80 -7.591 9.406 8.262 657 HB VAL 80 HB VAL 80 -6.734 8.789 5.412 658 HG11 VAL 80 HG11 VAL 80 -8.149 10.940 4.993 659 HG12 VAL 80 HG12 VAL 80 -8.961 9.379 5.121 660 HG13 VAL 80 HG13 VAL 80 -8.975 10.486 6.518 661 HG21 VAL 80 HG21 VAL 80 -5.835 11.071 5.502 662 HG22 VAL 80 HG22 VAL 80 -6.342 11.219 7.205 663 HG23 VAL 80 HG23 VAL 80 -5.076 10.061 6.729 664 H GLY 81 H GLY 81 -8.754 7.801 9.447 665 HA2 GLY 81 HA2 GLY 81 -11.226 7.166 8.598 666 HA3 GLY 81 HA3 GLY 81 -10.304 5.850 7.868 667 H GLY 82 H GLY 82 -9.296 7.237 10.948 668 HA2 GLY 82 HA2 GLY 82 -10.737 5.653 12.782 669 HA3 GLY 82 HA3 GLY 82 -9.256 4.765 12.347 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -12.118 11.093 1.737 2 HA2 GLY 1 HA2 GLY 1 -14.550 11.668 1.609 3 HA3 GLY 1 HA3 GLY 1 -14.366 11.525 -0.150 4 H ASN 2 H ASN 2 -15.027 9.548 -0.918 5 HA ASN 2 HA ASN 2 -15.391 7.319 0.942 6 HB2 ASN 2 HB2 ASN 2 -16.288 6.084 -1.017 7 HB3 ASN 2 HB3 ASN 2 -17.143 7.545 -0.586 8 HD21 ASN 2 HD21 ASN 2 -14.694 6.308 -3.051 9 HD22 ASN 2 HD22 ASN 2 -15.196 7.440 -4.245 10 H ARG 3 H ARG 3 -12.799 7.713 1.205 11 HA ARG 3 HA ARG 3 -11.675 5.277 0.157 12 HB2 ARG 3 HB2 ARG 3 -9.653 6.289 -0.791 13 HB3 ARG 3 HB3 ARG 3 -11.087 6.582 -1.767 14 HG2 ARG 3 HG2 ARG 3 -11.112 8.865 -1.281 15 HG3 ARG 3 HG3 ARG 3 -10.122 8.690 0.192 16 HD2 ARG 3 HD2 ARG 3 -8.181 8.031 -1.098 17 HD3 ARG 3 HD3 ARG 3 -9.119 8.034 -2.586 18 HE ARG 3 HE ARG 3 -8.603 10.479 -0.932 19 HH11 ARG 3 HH11 ARG 3 -8.731 8.954 -4.175 20 HH12 ARG 3 HH12 ARG 3 -7.778 10.192 -4.917 21 HH21 ARG 3 HH21 ARG 3 -7.490 12.233 -2.055 22 HH22 ARG 3 HH22 ARG 3 -6.969 11.932 -3.681 23 H PHE 4 H PHE 4 -9.733 4.750 1.094 24 HA PHE 4 HA PHE 4 -8.796 6.140 3.538 25 HB2 PHE 4 HB2 PHE 4 -9.143 3.156 2.955 26 HB3 PHE 4 HB3 PHE 4 -8.438 3.815 4.413 27 HD1 PHE 4 HD1 PHE 4 -9.833 5.047 6.083 28 HD2 PHE 4 HD2 PHE 4 -11.595 2.846 2.829 29 HE1 PHE 4 HE1 PHE 4 -12.050 5.087 7.221 30 HE2 PHE 4 HE2 PHE 4 -13.770 2.882 3.954 31 HZ PHE 4 HZ PHE 4 -14.027 4.009 6.132 32 H ILE 5 H ILE 5 -6.526 5.590 3.948 33 HA ILE 5 HA ILE 5 -5.060 4.736 1.506 34 HB ILE 5 HB ILE 5 -4.439 7.148 3.235 35 HG12 ILE 5 HG12 ILE 5 -5.097 7.219 0.260 36 HG13 ILE 5 HG13 ILE 5 -6.428 7.186 1.354 37 HG21 ILE 5 HG21 ILE 5 -3.038 6.239 0.684 38 HG22 ILE 5 HG22 ILE 5 -2.702 7.722 1.598 39 HG23 ILE 5 HG23 ILE 5 -2.356 6.152 2.317 40 HD11 ILE 5 HD11 ILE 5 -5.805 9.430 0.568 41 HD12 ILE 5 HD12 ILE 5 -6.025 9.192 2.303 42 HD13 ILE 5 HD13 ILE 5 -4.368 9.339 1.626 43 H VAL 6 H VAL 6 -3.081 3.813 1.825 44 HA VAL 6 HA VAL 6 -2.628 2.602 4.503 45 HB VAL 6 HB VAL 6 -1.810 1.613 1.738 46 HG11 VAL 6 HG11 VAL 6 -0.400 0.805 3.592 47 HG12 VAL 6 HG12 VAL 6 -1.846 0.223 4.444 48 HG13 VAL 6 HG13 VAL 6 -1.357 -0.511 2.897 49 HG21 VAL 6 HG21 VAL 6 -4.161 0.721 3.465 50 HG22 VAL 6 HG22 VAL 6 -4.245 1.478 1.857 51 HG23 VAL 6 HG23 VAL 6 -3.561 -0.140 2.033 52 H PHE 7 H PHE 7 -0.761 3.120 5.489 53 HA PHE 7 HA PHE 7 1.197 4.919 4.161 54 HB2 PHE 7 HB2 PHE 7 0.361 5.529 6.490 55 HB3 PHE 7 HB3 PHE 7 0.851 3.967 7.052 56 HD1 PHE 7 HD2 PHE 7 2.460 6.748 5.035 57 HD2 PHE 7 HD1 PHE 7 2.836 3.970 8.310 58 HE1 PHE 7 HE2 PHE 7 4.785 7.434 5.348 59 HE2 PHE 7 HE1 PHE 7 5.145 4.677 8.654 60 HZ PHE 7 HZ PHE 7 6.154 6.384 7.173 61 H VAL 8 H VAL 8 3.159 3.893 3.434 62 HA VAL 8 HA VAL 8 3.822 1.290 4.666 63 HB VAL 8 HB VAL 8 4.053 1.890 1.706 64 HG11 VAL 8 HG11 VAL 8 4.547 -0.439 1.411 65 HG12 VAL 8 HG12 VAL 8 5.562 0.105 2.764 66 HG13 VAL 8 HG13 VAL 8 4.110 -0.818 3.086 67 HG21 VAL 8 HG21 VAL 8 1.668 1.802 2.107 68 HG22 VAL 8 HG22 VAL 8 2.180 0.308 1.331 69 HG23 VAL 8 HG23 VAL 8 1.847 0.322 3.077 70 H GLY 9 H GLY 9 6.054 1.297 5.324 71 HA2 GLY 9 HA2 GLY 9 7.821 3.219 3.945 72 HA3 GLY 9 HA3 GLY 9 7.677 3.467 5.643 73 H SER 10 H SER 10 10.060 3.104 5.258 74 HA SER 10 HA SER 10 11.967 1.992 5.601 75 HB2 SER 10 HB2 SER 10 9.957 0.133 6.683 76 HB3 SER 10 HB3 SER 10 11.301 -0.726 5.996 77 HG SER 10 HG SER 10 12.660 0.653 7.341 78 H LEU 11 H LEU 11 10.340 1.939 2.941 79 HA LEU 11 HA LEU 11 11.048 -0.318 1.441 80 HB2 LEU 11 HB2 LEU 11 10.416 2.566 0.707 81 HB3 LEU 11 HB3 LEU 11 10.857 1.406 -0.529 82 HG LEU 11 HG LEU 11 8.970 -0.012 -0.071 83 HD11 LEU 11 HD11 LEU 11 8.310 2.019 2.146 84 HD12 LEU 11 HD12 LEU 11 8.560 0.274 2.347 85 HD13 LEU 11 HD13 LEU 11 7.139 0.860 1.507 86 HD21 LEU 11 HD21 LEU 11 7.161 1.489 -0.738 87 HD22 LEU 11 HD22 LEU 11 8.651 1.851 -1.597 88 HD23 LEU 11 HD23 LEU 11 8.133 2.908 -0.267 89 HA PRO 12 HA PRO 12 15.369 0.241 0.524 90 HB2 PRO 12 HB2 PRO 12 15.387 -0.866 -2.099 91 HB3 PRO 12 HB3 PRO 12 15.612 -1.766 -0.604 92 HG2 PRO 12 HG2 PRO 12 13.241 -1.623 -2.365 93 HG3 PRO 12 HG3 PRO 12 13.651 -2.824 -1.093 94 HD2 PRO 12 HD2 PRO 12 11.713 -0.773 -0.889 95 HD3 PRO 12 HD3 PRO 12 12.358 -1.785 0.425 96 H ARG 13 H ARG 13 16.797 1.257 -1.042 97 HA ARG 13 HA ARG 13 15.725 3.738 -2.163 98 HB2 ARG 13 HB2 ARG 13 18.462 2.369 -2.257 99 HB3 ARG 13 HB3 ARG 13 18.170 4.005 -2.838 100 HG2 ARG 13 HG2 ARG 13 17.570 3.186 0.039 101 HG3 ARG 13 HG3 ARG 13 19.172 3.661 -0.478 102 HD2 ARG 13 HD2 ARG 13 17.163 5.602 -1.410 103 HD3 ARG 13 HD3 ARG 13 17.043 5.333 0.330 104 HE ARG 13 HE ARG 13 19.572 6.042 -1.102 105 HH11 ARG 13 HH11 ARG 13 17.341 6.855 1.500 106 HH12 ARG 13 HH12 ARG 13 18.525 7.523 2.554 107 HH21 ARG 13 HH21 ARG 13 21.226 6.891 0.257 108 HH22 ARG 13 HH22 ARG 13 20.766 7.719 1.710 109 H ASP 14 H ASP 14 16.680 0.577 -3.362 110 HA ASP 14 HA ASP 14 16.614 1.296 -6.187 111 HB2 ASP 14 HB2 ASP 14 18.171 -0.377 -5.013 112 HB3 ASP 14 HB3 ASP 14 16.750 -1.408 -5.109 113 H ILE 15 H ILE 15 14.102 1.196 -4.251 114 HA ILE 15 HA ILE 15 12.386 -0.851 -5.139 115 HB ILE 15 HB ILE 15 12.151 0.442 -3.071 116 HG12 ILE 15 HG12 ILE 15 9.681 0.929 -3.240 117 HG13 ILE 15 HG13 ILE 15 9.781 0.518 -4.969 118 HG21 ILE 15 HG21 ILE 15 12.766 2.708 -4.065 119 HG22 ILE 15 HG22 ILE 15 11.141 2.742 -4.757 120 HG23 ILE 15 HG23 ILE 15 11.380 2.693 -2.986 121 HD11 ILE 15 HD11 ILE 15 10.425 -1.281 -2.612 122 HD12 ILE 15 HD12 ILE 15 8.987 -1.330 -3.626 123 HD13 ILE 15 HD13 ILE 15 10.543 -1.749 -4.339 124 H THR 16 H THR 16 10.877 -1.040 -6.892 125 HA THR 16 HA THR 16 10.652 1.245 -8.744 126 HB THR 16 HB THR 16 10.662 -0.566 -10.543 127 HG1 THR 16 HG1 THR 16 12.038 -2.297 -10.016 128 HG21 THR 16 HG21 THR 16 12.433 1.166 -10.298 129 HG22 THR 16 HG22 THR 16 13.082 -0.384 -10.840 130 HG23 THR 16 HG23 THR 16 13.295 0.121 -9.148 131 H ALA 17 H ALA 17 8.823 1.351 -9.941 132 HA ALA 17 HA ALA 17 6.419 1.069 -8.559 133 HB1 ALA 17 HB1 ALA 17 5.413 1.656 -10.738 134 HB2 ALA 17 HB2 ALA 17 6.867 2.627 -10.452 135 HB3 ALA 17 HB3 ALA 17 6.932 1.259 -11.574 136 H VAL 18 H VAL 18 8.040 -1.117 -10.808 137 HA VAL 18 HA VAL 18 5.754 -2.789 -11.264 138 HB VAL 18 HB VAL 18 7.576 -2.813 -12.831 139 HG11 VAL 18 HG11 VAL 18 9.504 -2.392 -11.342 140 HG12 VAL 18 HG12 VAL 18 9.374 -4.056 -10.710 141 HG13 VAL 18 HG13 VAL 18 9.776 -3.762 -12.411 142 HG21 VAL 18 HG21 VAL 18 7.397 -5.544 -11.460 143 HG22 VAL 18 HG22 VAL 18 6.277 -4.887 -12.680 144 HG23 VAL 18 HG23 VAL 18 7.953 -5.224 -13.114 145 H GLU 19 H GLU 19 8.303 -2.802 -8.764 146 HA GLU 19 HA GLU 19 7.571 -5.346 -7.624 147 HB2 GLU 19 HB2 GLU 19 8.912 -2.962 -6.281 148 HB3 GLU 19 HB3 GLU 19 9.046 -4.633 -5.791 149 HG2 GLU 19 HG2 GLU 19 10.047 -3.640 -8.493 150 HG3 GLU 19 HG3 GLU 19 10.996 -3.525 -7.033 151 H LEU 20 H LEU 20 6.779 -1.963 -6.997 152 HA LEU 20 HA LEU 20 5.135 -2.275 -4.704 153 HB2 LEU 20 HB2 LEU 20 5.938 -0.179 -6.579 154 HB3 LEU 20 HB3 LEU 20 4.212 -0.068 -6.330 155 HG LEU 20 HG LEU 20 4.497 0.140 -3.915 156 HD11 LEU 20 HD11 LEU 20 6.581 -1.169 -3.545 157 HD12 LEU 20 HD12 LEU 20 6.799 0.481 -2.969 158 HD13 LEU 20 HD13 LEU 20 7.472 -0.006 -4.549 159 HD21 LEU 20 HD21 LEU 20 4.643 2.141 -5.401 160 HD22 LEU 20 HD22 LEU 20 6.385 1.930 -5.522 161 HD23 LEU 20 HD23 LEU 20 5.618 2.339 -3.946 162 H GLN 21 H GLN 21 4.187 -1.917 -8.152 163 HA GLN 21 HA GLN 21 1.427 -2.322 -7.738 164 HB2 GLN 21 HB2 GLN 21 3.298 -2.779 -10.092 165 HB3 GLN 21 HB3 GLN 21 1.593 -3.210 -10.218 166 HG2 GLN 21 HG2 GLN 21 2.445 -0.415 -9.401 167 HG3 GLN 21 HG3 GLN 21 2.342 -0.916 -11.087 168 HE21 GLN 21 HE21 GLN 21 0.454 0.097 -11.865 169 HE22 GLN 21 HE22 GLN 21 -1.111 0.016 -11.066 170 H ASN 22 H ASN 22 4.059 -4.658 -8.425 171 HA ASN 22 HA ASN 22 2.441 -6.952 -8.600 172 HB2 ASN 22 HB2 ASN 22 4.721 -6.987 -9.376 173 HB3 ASN 22 HB3 ASN 22 5.345 -6.609 -7.765 174 HD21 ASN 22 HD21 ASN 22 6.164 -8.379 -6.751 175 HD22 ASN 22 HD22 ASN 22 5.534 -10.007 -6.874 176 H HIS 23 H HIS 23 3.997 -5.550 -5.618 177 HA HIS 23 HA HIS 23 3.160 -7.723 -3.964 178 HB2 HIS 23 HB2 HIS 23 4.543 -5.217 -3.639 179 HB3 HIS 23 HB3 HIS 23 3.283 -5.304 -2.430 180 HD2 HIS 23 HD2 HIS 23 3.897 -6.613 -0.294 181 HE1 HIS 23 HE1 HIS 23 7.275 -8.762 -1.747 182 HE2 HIS 23 HE2 HIS 23 5.841 -8.265 0.328 183 H PHE 24 H PHE 24 1.625 -4.515 -4.594 184 HA PHE 24 HA PHE 24 -0.714 -5.262 -2.994 185 HB2 PHE 24 HB2 PHE 24 -0.019 -2.781 -4.553 186 HB3 PHE 24 HB3 PHE 24 -1.479 -2.990 -3.591 187 HD1 PHE 24 HD2 PHE 24 -1.246 -3.672 -1.105 188 HD2 PHE 24 HD1 PHE 24 2.012 -2.115 -3.448 189 HE1 PHE 24 HE2 PHE 24 -0.030 -3.050 0.985 190 HE2 PHE 24 HE1 PHE 24 3.199 -1.444 -1.382 191 HZ PHE 24 HZ PHE 24 2.171 -1.923 0.852 192 H LYS 25 H LYS 25 0.020 -6.211 -6.113 193 HA LYS 25 HA LYS 25 -2.194 -5.736 -7.601 194 HB2 LYS 25 HB2 LYS 25 -1.356 -7.275 -9.025 195 HB3 LYS 25 HB3 LYS 25 0.021 -6.941 -8.032 196 HG2 LYS 25 HG2 LYS 25 -0.463 -9.035 -6.720 197 HG3 LYS 25 HG3 LYS 25 -1.708 -9.421 -7.930 198 HD2 LYS 25 HD2 LYS 25 -0.009 -9.453 -9.715 199 HD3 LYS 25 HD3 LYS 25 1.220 -8.890 -8.579 200 HE2 LYS 25 HE2 LYS 25 0.620 -11.004 -7.186 201 HE3 LYS 25 HE3 LYS 25 -0.143 -11.586 -8.667 202 HZ1 LYS 25 HZ1 LYS 25 1.984 -11.387 -9.774 203 HZ2 LYS 25 HZ2 LYS 25 2.204 -12.288 -8.411 204 HZ3 LYS 25 HZ3 LYS 25 2.665 -10.721 -8.441 205 H ASN 26 H ASN 26 -1.942 -8.290 -5.135 206 HA ASN 26 HA ASN 26 -4.440 -9.545 -5.624 207 HB2 ASN 26 HB2 ASN 26 -2.583 -10.447 -4.261 208 HB3 ASN 26 HB3 ASN 26 -2.819 -9.197 -3.054 209 HD21 ASN 26 HD21 ASN 26 -6.002 -10.236 -3.904 210 HD22 ASN 26 HD22 ASN 26 -6.109 -11.463 -2.648 211 H SER 27 H SER 27 -3.613 -6.601 -3.822 212 HA SER 27 HA SER 27 -6.316 -6.391 -2.655 213 HB2 SER 27 HB2 SER 27 -5.435 -4.483 -1.444 214 HB3 SER 27 HB3 SER 27 -4.432 -5.901 -1.259 215 HG SER 27 HG SER 27 -3.343 -4.672 -3.284 216 H SER 28 H SER 28 -4.552 -4.946 -5.336 217 HA SER 28 HA SER 28 -5.120 -3.638 -7.033 218 HB2 SER 28 HB2 SER 28 -7.034 -5.264 -7.131 219 HB3 SER 28 HB3 SER 28 -8.007 -4.021 -6.332 220 HG SER 28 HG SER 28 -6.781 -3.939 -8.877 221 HA PRO 29 HA PRO 29 -5.564 0.089 -4.195 222 HB2 PRO 29 HB2 PRO 29 -3.279 1.345 -4.954 223 HB3 PRO 29 HB3 PRO 29 -3.306 0.037 -3.730 224 HG2 PRO 29 HG2 PRO 29 -2.666 -0.193 -6.691 225 HG3 PRO 29 HG3 PRO 29 -1.731 -0.852 -5.310 226 HD2 PRO 29 HD2 PRO 29 -3.465 -2.367 -6.721 227 HD3 PRO 29 HD3 PRO 29 -3.283 -2.580 -4.951 228 H ASP 30 H ASP 30 -5.899 2.321 -4.826 229 HA ASP 30 HA ASP 30 -7.131 2.626 -7.485 230 HB2 ASP 30 HB2 ASP 30 -8.293 3.452 -5.441 231 HB3 ASP 30 HB3 ASP 30 -6.915 4.461 -5.050 232 H GLN 31 H GLN 31 -4.622 4.051 -5.375 233 HA GLN 31 HA GLN 31 -3.167 4.947 -7.773 234 HB2 GLN 31 HB2 GLN 31 -4.751 6.712 -6.976 235 HB3 GLN 31 HB3 GLN 31 -3.910 6.761 -5.437 236 HG2 GLN 31 HG2 GLN 31 -2.224 7.176 -7.868 237 HG3 GLN 31 HG3 GLN 31 -3.472 8.384 -7.627 238 HE21 GLN 31 HE21 GLN 31 -3.613 9.053 -5.091 239 HE22 GLN 31 HE22 GLN 31 -2.107 9.641 -4.474 240 H ILE 32 H ILE 32 -0.890 5.476 -7.324 241 HA ILE 32 HA ILE 32 0.205 4.361 -4.809 242 HB ILE 32 HB ILE 32 0.806 3.586 -7.701 243 HG12 ILE 32 HG12 ILE 32 -0.009 1.963 -5.246 244 HG13 ILE 32 HG13 ILE 32 -1.027 2.315 -6.633 245 HG21 ILE 32 HG21 ILE 32 2.726 2.348 -7.096 246 HG22 ILE 32 HG22 ILE 32 2.977 3.914 -6.359 247 HG23 ILE 32 HG23 ILE 32 2.422 2.552 -5.365 248 HD11 ILE 32 HD11 ILE 32 -0.299 0.089 -6.910 249 HD12 ILE 32 HD12 ILE 32 0.624 1.059 -8.074 250 HD13 ILE 32 HD13 ILE 32 1.388 0.484 -6.569 251 H ARG 33 H ARG 33 1.734 5.734 -3.998 252 HA ARG 33 HA ARG 33 3.193 7.526 -5.840 253 HB2 ARG 33 HB2 ARG 33 1.121 8.438 -4.216 254 HB3 ARG 33 HB3 ARG 33 2.516 8.699 -3.187 255 HG2 ARG 33 HG2 ARG 33 2.012 9.783 -5.963 256 HG3 ARG 33 HG3 ARG 33 2.104 10.662 -4.448 257 HD2 ARG 33 HD2 ARG 33 4.553 9.943 -4.287 258 HD3 ARG 33 HD3 ARG 33 4.419 9.347 -5.948 259 HE ARG 33 HE ARG 33 4.891 11.997 -5.130 260 HH11 ARG 33 HH11 ARG 33 3.033 10.288 -7.677 261 HH12 ARG 33 HH12 ARG 33 3.037 11.659 -8.730 262 HH21 ARG 33 HH21 ARG 33 5.044 13.665 -6.641 263 HH22 ARG 33 HH22 ARG 33 4.135 13.601 -8.102 264 H LEU 34 H LEU 34 5.133 6.521 -5.725 265 HA LEU 34 HA LEU 34 6.195 5.509 -3.178 266 HB2 LEU 34 HB2 LEU 34 6.390 4.197 -5.192 267 HB3 LEU 34 HB3 LEU 34 7.250 5.450 -6.036 268 HG LEU 34 HG LEU 34 8.531 3.325 -4.958 269 HD11 LEU 34 HD11 LEU 34 10.558 4.812 -4.733 270 HD12 LEU 34 HD12 LEU 34 9.517 6.227 -4.806 271 HD13 LEU 34 HD13 LEU 34 9.627 5.138 -6.199 272 HD21 LEU 34 HD21 LEU 34 8.710 5.230 -2.600 273 HD22 LEU 34 HD22 LEU 34 9.415 3.640 -2.802 274 HD23 LEU 34 HD23 LEU 34 7.663 3.791 -2.650 275 H ARG 35 H ARG 35 7.115 6.953 -1.804 276 HA ARG 35 HA ARG 35 8.466 9.356 -2.944 277 HB2 ARG 35 HB2 ARG 35 7.114 8.879 -0.262 278 HB3 ARG 35 HB3 ARG 35 8.204 10.225 -0.611 279 HG2 ARG 35 HG2 ARG 35 6.576 10.693 -2.629 280 HG3 ARG 35 HG3 ARG 35 5.436 9.674 -1.731 281 HD2 ARG 35 HD2 ARG 35 5.674 11.152 0.236 282 HD3 ARG 35 HD3 ARG 35 6.950 12.054 -0.593 283 HE ARG 35 HE ARG 35 4.280 12.046 -1.882 284 HH11 ARG 35 HH11 ARG 35 6.574 13.820 0.211 285 HH12 ARG 35 HH12 ARG 35 5.724 15.319 -0.014 286 HH21 ARG 35 HH21 ARG 35 3.248 14.041 -2.085 287 HH22 ARG 35 HH22 ARG 35 3.898 15.461 -1.279 288 H ALA 36 H ALA 36 10.239 8.022 -3.481 289 HA ALA 36 HA ALA 36 11.713 6.341 -1.776 290 HB1 ALA 36 HB1 ALA 36 12.104 6.523 -4.215 291 HB2 ALA 36 HB2 ALA 36 12.736 8.170 -3.999 292 HB3 ALA 36 HB3 ALA 36 13.597 6.782 -3.306 293 H ASP 37 H ASP 37 11.599 9.823 -1.986 294 HA ASP 37 HA ASP 37 13.816 10.781 -0.756 295 HB2 ASP 37 HB2 ASP 37 10.905 11.634 -0.716 296 HB3 ASP 37 HB3 ASP 37 12.132 12.548 0.176 297 H LYS 38 H LYS 38 11.213 9.069 0.851 298 HA LYS 38 HA LYS 38 12.666 9.266 3.432 299 HB2 LYS 38 HB2 LYS 38 9.868 10.159 2.862 300 HB3 LYS 38 HB3 LYS 38 10.125 9.256 4.353 301 HG2 LYS 38 HG2 LYS 38 12.021 10.785 4.907 302 HG3 LYS 38 HG3 LYS 38 11.560 11.806 3.541 303 HD2 LYS 38 HD2 LYS 38 9.495 11.051 5.643 304 HD3 LYS 38 HD3 LYS 38 10.728 12.233 6.050 305 HE2 LYS 38 HE2 LYS 38 10.068 13.656 4.151 306 HE3 LYS 38 HE3 LYS 38 8.846 12.461 3.666 307 HZ1 LYS 38 HZ1 LYS 38 8.850 14.010 6.197 308 HZ2 LYS 38 HZ2 LYS 38 7.780 12.802 5.810 309 HZ3 LYS 38 HZ3 LYS 38 7.797 14.182 4.957 310 H GLY 39 H GLY 39 11.990 7.255 1.069 311 HA2 GLY 39 HA2 GLY 39 11.829 4.986 0.856 312 HA3 GLY 39 HA3 GLY 39 12.262 4.847 2.570 313 H ILE 40 H ILE 40 9.347 6.427 1.084 314 HA ILE 40 HA ILE 40 7.645 4.406 2.371 315 HB ILE 40 HB ILE 40 6.111 6.490 2.805 316 HG12 ILE 40 HG12 ILE 40 8.742 7.833 3.088 317 HG13 ILE 40 HG13 ILE 40 7.829 7.994 1.590 318 HG21 ILE 40 HG21 ILE 40 8.493 5.741 4.527 319 HG22 ILE 40 HG22 ILE 40 7.246 6.880 5.062 320 HG23 ILE 40 HG23 ILE 40 6.786 5.245 4.680 321 HD11 ILE 40 HD11 ILE 40 5.909 8.961 2.833 322 HD12 ILE 40 HD12 ILE 40 6.877 8.929 4.323 323 HD13 ILE 40 HD13 ILE 40 7.379 9.941 2.961 324 H ALA 41 H ALA 41 5.416 4.564 1.670 325 HA ALA 41 HA ALA 41 4.965 5.466 -1.085 326 HB1 ALA 41 HB1 ALA 41 5.653 3.285 -1.601 327 HB2 ALA 41 HB2 ALA 41 5.061 2.610 -0.078 328 HB3 ALA 41 HB3 ALA 41 3.919 3.036 -1.341 329 H PHE 42 H PHE 42 2.758 5.749 -1.488 330 HA PHE 42 HA PHE 42 0.854 5.546 0.822 331 HB2 PHE 42 HB2 PHE 42 1.205 7.789 -1.224 332 HB3 PHE 42 HB3 PHE 42 -0.248 7.574 -0.271 333 HD1 PHE 42 HD2 PHE 42 -0.109 7.646 2.286 334 HD2 PHE 42 HD1 PHE 42 3.047 9.039 -0.309 335 HE1 PHE 42 HE2 PHE 42 0.786 9.056 4.122 336 HE2 PHE 42 HE1 PHE 42 3.933 10.443 1.548 337 HZ PHE 42 HZ PHE 42 2.789 10.474 3.743 338 H LEU 43 H LEU 43 -0.952 4.393 0.279 339 HA LEU 43 HA LEU 43 -1.537 4.013 -2.616 340 HB2 LEU 43 HB2 LEU 43 -1.461 1.843 -0.494 341 HB3 LEU 43 HB3 LEU 43 -2.220 1.705 -2.080 342 HG LEU 43 HG LEU 43 0.230 2.522 -2.900 343 HD11 LEU 43 HD11 LEU 43 0.771 0.887 -0.384 344 HD12 LEU 43 HD12 LEU 43 1.214 2.585 -0.595 345 HD13 LEU 43 HD13 LEU 43 1.982 1.337 -1.591 346 HD21 LEU 43 HD21 LEU 43 0.732 0.160 -3.340 347 HD22 LEU 43 HD22 LEU 43 -0.957 0.541 -3.667 348 HD23 LEU 43 HD23 LEU 43 -0.533 -0.323 -2.179 349 H GLU 44 H GLU 44 -3.483 4.825 -2.999 350 HA GLU 44 HA GLU 44 -5.446 5.136 -0.776 351 HB2 GLU 44 HB2 GLU 44 -5.797 6.116 -3.632 352 HB3 GLU 44 HB3 GLU 44 -6.473 6.770 -2.144 353 HG2 GLU 44 HG2 GLU 44 -4.099 7.579 -1.578 354 HG3 GLU 44 HG3 GLU 44 -3.617 7.051 -3.177 355 H PHE 45 H PHE 45 -7.652 4.274 -1.190 356 HA PHE 45 HA PHE 45 -7.870 2.372 -3.449 357 HB2 PHE 45 HB2 PHE 45 -8.288 1.784 -0.488 358 HB3 PHE 45 HB3 PHE 45 -8.989 0.816 -1.769 359 HD1 PHE 45 HD1 PHE 45 -5.576 2.013 -0.576 360 HD2 PHE 45 HD2 PHE 45 -7.932 -1.152 -2.330 361 HE1 PHE 45 HE1 PHE 45 -3.619 0.518 -0.527 362 HE2 PHE 45 HE2 PHE 45 -5.990 -2.630 -2.232 363 HZ PHE 45 HZ PHE 45 -3.798 -1.817 -1.379 364 H ASP 46 H ASP 46 -10.009 2.470 -4.318 365 HA ASP 46 HA ASP 46 -11.713 4.603 -3.191 366 HB2 ASP 46 HB2 ASP 46 -11.467 4.434 -5.607 367 HB3 ASP 46 HB3 ASP 46 -12.097 2.783 -5.592 368 H ALA 47 H ALA 47 -12.916 4.205 -1.476 369 HA ALA 47 HA ALA 47 -13.714 1.555 -0.650 370 HB1 ALA 47 HB1 ALA 47 -13.162 3.494 0.911 371 HB2 ALA 47 HB2 ALA 47 -14.726 4.209 0.435 372 HB3 ALA 47 HB3 ALA 47 -14.674 2.643 1.253 373 H ASP 48 H ASP 48 -15.113 3.842 -2.866 374 HA ASP 48 HA ASP 48 -17.849 2.826 -2.385 375 HB2 ASP 48 HB2 ASP 48 -17.344 5.250 -2.972 376 HB3 ASP 48 HB3 ASP 48 -16.953 4.693 -4.609 377 H LYS 49 H LYS 49 -15.053 2.064 -4.400 378 HA LYS 49 HA LYS 49 -16.406 0.997 -6.613 379 HB2 LYS 49 HB2 LYS 49 -13.881 1.423 -6.209 380 HB3 LYS 49 HB3 LYS 49 -13.849 -0.193 -5.460 381 HG2 LYS 49 HG2 LYS 49 -14.720 -1.170 -7.569 382 HG3 LYS 49 HG3 LYS 49 -14.928 0.476 -8.193 383 HD2 LYS 49 HD2 LYS 49 -12.990 -0.471 -9.238 384 HD3 LYS 49 HD3 LYS 49 -12.491 0.816 -8.141 385 HE2 LYS 49 HE2 LYS 49 -11.990 -0.981 -6.414 386 HE3 LYS 49 HE3 LYS 49 -12.322 -2.196 -7.659 387 HZ1 LYS 49 HZ1 LYS 49 -10.262 -0.085 -7.933 388 HZ2 LYS 49 HZ2 LYS 49 -10.474 -1.348 -8.927 389 HZ3 LYS 49 HZ3 LYS 49 -9.917 -1.607 -7.433 390 H ASP 50 H ASP 50 -15.793 -0.421 -3.409 391 HA ASP 50 HA ASP 50 -17.831 -2.473 -3.869 392 HB2 ASP 50 HB2 ASP 50 -14.938 -3.175 -3.182 393 HB3 ASP 50 HB3 ASP 50 -16.319 -4.198 -2.782 394 H ARG 51 H ARG 51 -18.977 -1.083 -2.364 395 HA ARG 51 HA ARG 51 -18.096 -0.028 0.035 396 HB2 ARG 51 HB2 ARG 51 -20.412 0.028 -1.248 397 HB3 ARG 51 HB3 ARG 51 -20.776 -1.390 -0.277 398 HG2 ARG 51 HG2 ARG 51 -21.663 0.168 1.083 399 HG3 ARG 51 HG3 ARG 51 -20.012 0.235 1.708 400 HD2 ARG 51 HD2 ARG 51 -20.653 2.510 1.400 401 HD3 ARG 51 HD3 ARG 51 -19.583 2.129 0.051 402 HE ARG 51 HE ARG 51 -21.275 2.659 -1.391 403 HH11 ARG 51 HH11 ARG 51 -22.829 1.837 1.718 404 HH12 ARG 51 HH12 ARG 51 -24.398 2.314 1.176 405 HH21 ARG 51 HH21 ARG 51 -23.381 3.382 -2.020 406 HH22 ARG 51 HH22 ARG 51 -24.725 3.125 -0.947 407 H THR 52 H THR 52 -19.153 -3.351 -0.585 408 HA THR 52 HA THR 52 -18.681 -4.108 2.184 409 HB THR 52 HB THR 52 -19.560 -6.196 0.311 410 HG1 THR 52 HG1 THR 52 -21.347 -5.333 -0.451 411 HG21 THR 52 HG21 THR 52 -21.405 -6.376 1.937 412 HG22 THR 52 HG22 THR 52 -20.939 -4.814 2.643 413 HG23 THR 52 HG23 THR 52 -19.851 -6.226 2.796 414 H GLY 53 H GLY 53 -16.668 -3.921 -0.517 415 HA2 GLY 53 HA2 GLY 53 -15.072 -6.356 0.210 416 HA3 GLY 53 HA3 GLY 53 -15.147 -5.611 -1.368 417 H ILE 54 H ILE 54 -14.944 -2.809 0.035 418 HA ILE 54 HA ILE 54 -12.235 -2.452 -0.314 419 HB ILE 54 HB ILE 54 -13.821 -0.635 -0.300 420 HG12 ILE 54 HG12 ILE 54 -12.629 1.009 1.256 421 HG13 ILE 54 HG13 ILE 54 -11.719 -0.337 1.901 422 HG21 ILE 54 HG21 ILE 54 -14.840 0.278 1.770 423 HG22 ILE 54 HG22 ILE 54 -15.431 -1.328 1.368 424 HG23 ILE 54 HG23 ILE 54 -14.243 -1.127 2.666 425 HD11 ILE 54 HD11 ILE 54 -10.976 -0.814 -0.550 426 HD12 ILE 54 HD12 ILE 54 -11.683 0.754 -0.947 427 HD13 ILE 54 HD13 ILE 54 -10.360 0.625 0.225 428 H GLN 55 H GLN 55 -13.918 -3.390 2.606 429 HA GLN 55 HA GLN 55 -11.884 -3.178 4.522 430 HB2 GLN 55 HB2 GLN 55 -14.210 -3.551 5.010 431 HB3 GLN 55 HB3 GLN 55 -14.222 -5.116 4.192 432 HG2 GLN 55 HG2 GLN 55 -12.458 -4.547 6.590 433 HG3 GLN 55 HG3 GLN 55 -14.144 -5.009 6.763 434 HE21 GLN 55 HE21 GLN 55 -10.953 -6.177 6.244 435 HE22 GLN 55 HE22 GLN 55 -11.332 -7.831 5.840 436 H ARG 56 H ARG 56 -12.732 -6.041 2.494 437 HA ARG 56 HA ARG 56 -10.586 -7.744 3.247 438 HB2 ARG 56 HB2 ARG 56 -12.320 -7.506 0.754 439 HB3 ARG 56 HB3 ARG 56 -10.886 -8.511 0.709 440 HG2 ARG 56 HG2 ARG 56 -12.826 -9.811 1.133 441 HG3 ARG 56 HG3 ARG 56 -11.668 -9.925 2.453 442 HD2 ARG 56 HD2 ARG 56 -13.072 -8.891 3.964 443 HD3 ARG 56 HD3 ARG 56 -13.883 -7.909 2.729 444 HE ARG 56 HE ARG 56 -15.527 -9.409 2.715 445 HH11 ARG 56 HH11 ARG 56 -12.583 -11.246 3.602 446 HH12 ARG 56 HH12 ARG 56 -13.356 -12.776 3.430 447 HH21 ARG 56 HH21 ARG 56 -16.499 -11.527 2.452 448 HH22 ARG 56 HH22 ARG 56 -15.490 -12.921 2.544 449 H ARG 57 H ARG 57 -10.811 -5.334 0.608 450 HA ARG 57 HA ARG 57 -8.260 -5.818 -0.537 451 HB2 ARG 57 HB2 ARG 57 -9.791 -3.208 -0.316 452 HB3 ARG 57 HB3 ARG 57 -8.411 -3.493 -1.380 453 HG2 ARG 57 HG2 ARG 57 -9.748 -5.182 -2.601 454 HG3 ARG 57 HG3 ARG 57 -11.131 -4.906 -1.521 455 HD2 ARG 57 HD2 ARG 57 -11.170 -2.516 -2.116 456 HD3 ARG 57 HD3 ARG 57 -9.793 -2.709 -3.168 457 HE ARG 57 HE ARG 57 -12.520 -3.138 -3.767 458 HH11 ARG 57 HH11 ARG 57 -9.308 -4.552 -4.500 459 HH12 ARG 57 HH12 ARG 57 -9.803 -5.240 -5.989 460 HH21 ARG 57 HH21 ARG 57 -13.156 -4.095 -5.768 461 HH22 ARG 57 HH22 ARG 57 -11.999 -4.924 -6.764 462 H MET 58 H MET 58 -9.193 -3.573 2.162 463 HA MET 58 HA MET 58 -6.591 -2.612 2.614 464 HB2 MET 58 HB2 MET 58 -9.234 -2.510 3.978 465 HB3 MET 58 HB3 MET 58 -7.914 -2.684 5.130 466 HG2 MET 58 HG2 MET 58 -6.738 -0.793 3.999 467 HG3 MET 58 HG3 MET 58 -8.187 -0.513 3.041 468 HE1 MET 58 HE1 MET 58 -10.628 -0.495 4.412 469 HE2 MET 58 HE2 MET 58 -10.713 1.083 5.238 470 HE3 MET 58 HE3 MET 58 -9.987 0.978 3.622 471 H ASP 59 H ASP 59 -8.386 -5.307 4.155 472 HA ASP 59 HA ASP 59 -6.660 -6.318 5.999 473 HB2 ASP 59 HB2 ASP 59 -8.911 -7.128 4.700 474 HB3 ASP 59 HB3 ASP 59 -7.835 -8.360 4.145 475 H ILE 60 H ILE 60 -6.680 -7.181 2.569 476 HA ILE 60 HA ILE 60 -4.455 -8.902 2.574 477 HB ILE 60 HB ILE 60 -5.817 -7.254 0.404 478 HG12 ILE 60 HG12 ILE 60 -5.975 -10.277 0.701 479 HG13 ILE 60 HG13 ILE 60 -6.962 -9.260 1.739 480 HG21 ILE 60 HG21 ILE 60 -3.837 -9.513 -0.083 481 HG22 ILE 60 HG22 ILE 60 -4.801 -8.658 -1.306 482 HG23 ILE 60 HG23 ILE 60 -3.543 -7.800 -0.419 483 HD11 ILE 60 HD11 ILE 60 -7.977 -8.161 -0.220 484 HD12 ILE 60 HD12 ILE 60 -7.080 -9.265 -1.290 485 HD13 ILE 60 HD13 ILE 60 -8.283 -9.898 -0.139 486 H ALA 61 H ALA 61 -4.634 -5.377 2.086 487 HA ALA 61 HA ALA 61 -1.816 -5.098 1.478 488 HB1 ALA 61 HB1 ALA 61 -3.514 -3.518 0.618 489 HB2 ALA 61 HB2 ALA 61 -3.918 -3.032 2.275 490 HB3 ALA 61 HB3 ALA 61 -2.312 -2.688 1.625 491 H LEU 62 H LEU 62 -3.866 -4.851 4.450 492 HA LEU 62 HA LEU 62 -1.805 -3.652 6.124 493 HB2 LEU 62 HB2 LEU 62 -4.244 -5.337 6.822 494 HB3 LEU 62 HB3 LEU 62 -3.178 -4.544 7.984 495 HG LEU 62 HG LEU 62 -4.888 -3.111 5.910 496 HD11 LEU 62 HD11 LEU 62 -6.175 -4.138 7.760 497 HD12 LEU 62 HD12 LEU 62 -6.228 -2.369 7.795 498 HD13 LEU 62 HD13 LEU 62 -5.183 -3.250 8.933 499 HD21 LEU 62 HD21 LEU 62 -4.271 -1.052 7.099 500 HD22 LEU 62 HD22 LEU 62 -2.898 -1.788 6.300 501 HD23 LEU 62 HD23 LEU 62 -3.079 -1.963 8.064 502 H LEU 63 H LEU 63 -2.712 -6.954 5.302 503 HA LEU 63 HA LEU 63 -1.069 -8.336 7.142 504 HB2 LEU 63 HB2 LEU 63 -2.387 -8.905 4.500 505 HB3 LEU 63 HB3 LEU 63 -1.161 -10.049 4.998 506 HG LEU 63 HG LEU 63 -3.423 -9.252 6.860 507 HD11 LEU 63 HD11 LEU 63 -3.390 -11.561 4.865 508 HD12 LEU 63 HD12 LEU 63 -4.428 -10.111 4.794 509 HD13 LEU 63 HD13 LEU 63 -4.624 -11.263 6.113 510 HD21 LEU 63 HD21 LEU 63 -1.503 -10.393 7.920 511 HD22 LEU 63 HD22 LEU 63 -1.591 -11.696 6.720 512 HD23 LEU 63 HD23 LEU 63 -2.906 -11.460 7.886 513 H GLN 64 H GLN 64 -0.073 -6.344 4.509 514 HA GLN 64 HA GLN 64 2.395 -7.816 4.033 515 HB2 GLN 64 HB2 GLN 64 1.719 -5.041 3.055 516 HB3 GLN 64 HB3 GLN 64 2.935 -6.150 2.426 517 HG2 GLN 64 HG2 GLN 64 -0.069 -6.507 2.232 518 HG3 GLN 64 HG3 GLN 64 0.981 -5.898 0.966 519 HE21 GLN 64 HE21 GLN 64 -0.747 -8.487 1.575 520 HE22 GLN 64 HE22 GLN 64 0.316 -9.789 1.017 521 H HIS 65 H HIS 65 1.470 -6.128 6.729 522 HA HIS 65 HA HIS 65 3.646 -4.318 7.164 523 HB2 HIS 65 HB2 HIS 65 1.478 -4.244 8.412 524 HB3 HIS 65 HB3 HIS 65 1.854 -5.784 9.160 525 HD2 HIS 65 HD2 HIS 65 2.155 -4.941 11.647 526 HE1 HIS 65 HE1 HIS 65 4.892 -1.758 10.955 527 HE2 HIS 65 HE2 HIS 65 3.636 -3.031 12.734 528 H GLY 66 H GLY 66 5.689 -5.031 7.275 529 HA2 GLY 66 HA2 GLY 66 7.477 -6.125 8.285 530 HA3 GLY 66 HA3 GLY 66 6.447 -7.385 8.914 531 H THR 67 H THR 67 5.812 -6.850 5.465 532 HA THR 67 HA THR 67 7.004 -9.415 4.909 533 HB THR 67 HB THR 67 6.623 -8.692 2.491 534 HG1 THR 67 HG1 THR 67 6.636 -6.401 3.069 535 HG21 THR 67 HG21 THR 67 4.293 -8.654 4.436 536 HG22 THR 67 HG22 THR 67 5.004 -10.080 3.675 537 HG23 THR 67 HG23 THR 67 4.151 -8.894 2.675 538 H LEU 68 H LEU 68 8.920 -9.889 3.805 539 HA LEU 68 HA LEU 68 11.000 -7.769 3.935 540 HB2 LEU 68 HB2 LEU 68 11.146 -10.734 3.321 541 HB3 LEU 68 HB3 LEU 68 12.535 -9.624 3.315 542 HG LEU 68 HG LEU 68 10.901 -10.599 5.691 543 HD11 LEU 68 HD11 LEU 68 13.873 -10.542 5.054 544 HD12 LEU 68 HD12 LEU 68 12.828 -11.982 5.110 545 HD13 LEU 68 HD13 LEU 68 13.161 -11.063 6.610 546 HD21 LEU 68 HD21 LEU 68 12.754 -8.200 5.543 547 HD22 LEU 68 HD22 LEU 68 12.394 -9.054 7.049 548 HD23 LEU 68 HD23 LEU 68 11.070 -8.309 6.147 549 H LEU 69 H LEU 69 10.884 -6.504 2.261 550 HA LEU 69 HA LEU 69 10.279 -7.610 -0.453 551 HB2 LEU 69 HB2 LEU 69 8.543 -6.029 0.197 552 HB3 LEU 69 HB3 LEU 69 9.751 -4.876 0.763 553 HG LEU 69 HG LEU 69 10.602 -4.621 -1.579 554 HD11 LEU 69 HD11 LEU 69 8.138 -6.208 -2.377 555 HD12 LEU 69 HD12 LEU 69 9.797 -6.820 -2.517 556 HD13 LEU 69 HD13 LEU 69 9.276 -5.427 -3.472 557 HD21 LEU 69 HD21 LEU 69 7.678 -4.014 -1.115 558 HD22 LEU 69 HD22 LEU 69 8.639 -3.342 -2.436 559 HD23 LEU 69 HD23 LEU 69 9.075 -2.970 -0.760 560 H LYS 70 H LYS 70 12.059 -7.774 -1.602 561 HA LYS 70 HA LYS 70 14.234 -7.514 -2.297 562 HB2 LYS 70 HB2 LYS 70 13.386 -4.637 -2.148 563 HB3 LYS 70 HB3 LYS 70 14.759 -5.262 -3.067 564 HG2 LYS 70 HG2 LYS 70 13.395 -6.204 -4.704 565 HG3 LYS 70 HG3 LYS 70 12.065 -6.506 -3.613 566 HD2 LYS 70 HD2 LYS 70 11.300 -4.854 -5.050 567 HD3 LYS 70 HD3 LYS 70 11.576 -4.056 -3.522 568 HE2 LYS 70 HE2 LYS 70 12.267 -2.669 -5.386 569 HE3 LYS 70 HE3 LYS 70 13.671 -3.064 -4.359 570 HZ1 LYS 70 HZ1 LYS 70 14.553 -4.373 -6.004 571 HZ2 LYS 70 HZ2 LYS 70 13.838 -3.277 -6.925 572 HZ3 LYS 70 HZ3 LYS 70 13.090 -4.721 -6.709 573 H GLU 71 H GLU 71 14.461 -8.259 0.055 574 HA GLU 71 HA GLU 71 15.776 -8.438 1.902 575 HB2 GLU 71 HB2 GLU 71 17.668 -6.562 0.435 576 HB3 GLU 71 HB3 GLU 71 18.079 -7.731 1.698 577 HG2 GLU 71 HG2 GLU 71 17.353 -9.590 0.243 578 HG3 GLU 71 HG3 GLU 71 16.935 -8.454 -1.035 579 H LYS 72 H LYS 72 13.801 -6.088 1.885 580 HA LYS 72 HA LYS 72 14.955 -4.674 4.242 581 HB2 LYS 72 HB2 LYS 72 13.263 -3.584 1.945 582 HB3 LYS 72 HB3 LYS 72 13.558 -2.712 3.429 583 HG2 LYS 72 HG2 LYS 72 15.806 -3.651 1.577 584 HG3 LYS 72 HG3 LYS 72 14.971 -2.110 1.411 585 HD2 LYS 72 HD2 LYS 72 16.307 -2.871 4.013 586 HD3 LYS 72 HD3 LYS 72 17.180 -2.081 2.681 587 HE2 LYS 72 HE2 LYS 72 15.657 -0.202 2.680 588 HE3 LYS 72 HE3 LYS 72 14.591 -0.981 3.858 589 HZ1 LYS 72 HZ1 LYS 72 16.063 0.688 4.799 590 HZ2 LYS 72 HZ2 LYS 72 17.385 -0.258 4.433 591 HZ3 LYS 72 HZ3 LYS 72 16.277 -0.801 5.493 592 H LYS 73 H LYS 73 13.599 -4.879 6.043 593 HA LYS 73 HA LYS 73 11.007 -6.220 5.571 594 HB2 LYS 73 HB2 LYS 73 12.472 -6.721 7.622 595 HB3 LYS 73 HB3 LYS 73 12.086 -5.107 8.214 596 HG2 LYS 73 HG2 LYS 73 9.867 -5.597 8.626 597 HG3 LYS 73 HG3 LYS 73 9.754 -6.705 7.274 598 HD2 LYS 73 HD2 LYS 73 9.465 -8.066 9.111 599 HD3 LYS 73 HD3 LYS 73 11.119 -8.412 8.643 600 HE2 LYS 73 HE2 LYS 73 10.246 -6.438 10.788 601 HE3 LYS 73 HE3 LYS 73 10.608 -8.144 11.055 602 HZ1 LYS 73 HZ1 LYS 73 12.856 -7.816 10.503 603 HZ2 LYS 73 HZ2 LYS 73 12.492 -6.652 11.577 604 HZ3 LYS 73 HZ3 LYS 73 12.623 -6.248 10.020 605 H ILE 74 H ILE 74 9.345 -4.939 4.920 606 HA ILE 74 HA ILE 74 9.509 -2.032 5.530 607 HB ILE 74 HB ILE 74 7.955 -1.689 3.765 608 HG12 ILE 74 HG12 ILE 74 8.015 -4.690 3.271 609 HG13 ILE 74 HG13 ILE 74 6.640 -3.798 3.925 610 HG21 ILE 74 HG21 ILE 74 9.488 -2.083 1.960 611 HG22 ILE 74 HG22 ILE 74 10.460 -1.866 3.417 612 HG23 ILE 74 HG23 ILE 74 10.191 -3.496 2.771 613 HD11 ILE 74 HD11 ILE 74 6.415 -4.286 1.503 614 HD12 ILE 74 HD12 ILE 74 6.437 -2.531 1.823 615 HD13 ILE 74 HD13 ILE 74 7.865 -3.355 1.166 616 H ASN 75 H ASN 75 7.319 -0.971 5.889 617 HA ASN 75 HA ASN 75 5.740 -2.527 7.911 618 HB2 ASN 75 HB2 ASN 75 5.475 -0.400 9.105 619 HB3 ASN 75 HB3 ASN 75 7.162 -0.918 9.112 620 HD21 ASN 75 HD21 ASN 75 4.780 1.418 7.732 621 HD22 ASN 75 HD22 ASN 75 5.993 2.473 7.017 622 H VAL 76 H VAL 76 3.522 -1.813 8.212 623 HA VAL 76 HA VAL 76 2.378 -0.117 6.121 624 HB VAL 76 HB VAL 76 1.473 -2.946 6.737 625 HG11 VAL 76 HG11 VAL 76 -0.505 -1.598 6.509 626 HG12 VAL 76 HG12 VAL 76 0.223 -0.691 5.172 627 HG13 VAL 76 HG13 VAL 76 -0.268 -2.380 4.941 628 HG21 VAL 76 HG21 VAL 76 2.430 -1.697 4.163 629 HG22 VAL 76 HG22 VAL 76 3.317 -2.906 5.137 630 HG23 VAL 76 HG23 VAL 76 1.778 -3.334 4.357 631 H GLU 77 H GLU 77 0.964 1.293 7.068 632 HA GLU 77 HA GLU 77 -0.474 0.533 9.500 633 HB2 GLU 77 HB2 GLU 77 0.755 3.311 9.374 634 HB3 GLU 77 HB3 GLU 77 0.145 2.437 10.773 635 HG2 GLU 77 HG2 GLU 77 2.164 0.885 10.544 636 HG3 GLU 77 HG3 GLU 77 2.752 2.024 9.308 637 H LEU 78 H LEU 78 -2.172 2.543 9.930 638 HA LEU 78 HA LEU 78 -3.504 2.933 7.320 639 HB2 LEU 78 HB2 LEU 78 -4.323 3.112 10.258 640 HB3 LEU 78 HB3 LEU 78 -5.294 3.785 8.994 641 HG LEU 78 HG LEU 78 -6.229 1.729 9.606 642 HD11 LEU 78 HD11 LEU 78 -6.365 0.520 7.503 643 HD12 LEU 78 HD12 LEU 78 -4.908 1.325 6.899 644 HD13 LEU 78 HD13 LEU 78 -6.386 2.269 7.234 645 HD21 LEU 78 HD21 LEU 78 -5.140 -0.439 9.441 646 HD22 LEU 78 HD22 LEU 78 -4.241 0.628 10.545 647 HD23 LEU 78 HD23 LEU 78 -3.629 0.325 8.907 648 H THR 79 H THR 79 -4.271 4.968 6.690 649 HA THR 79 HA THR 79 -3.576 7.347 8.197 650 HB THR 79 HB THR 79 -1.544 6.636 6.850 651 HG1 THR 79 HG1 THR 79 -0.967 8.548 7.040 652 HG21 THR 79 HG21 THR 79 -2.568 6.067 4.726 653 HG22 THR 79 HG22 THR 79 -1.186 7.163 4.631 654 HG23 THR 79 HG23 THR 79 -2.819 7.815 4.449 655 H VAL 80 H VAL 80 -5.170 8.854 7.851 656 HA VAL 80 HA VAL 80 -6.983 9.890 7.093 657 HB VAL 80 HB VAL 80 -6.682 8.635 4.362 658 HG11 VAL 80 HG11 VAL 80 -7.645 11.374 5.263 659 HG12 VAL 80 HG12 VAL 80 -7.629 10.744 3.604 660 HG13 VAL 80 HG13 VAL 80 -8.700 10.013 4.801 661 HG21 VAL 80 HG21 VAL 80 -5.285 10.750 3.876 662 HG22 VAL 80 HG22 VAL 80 -5.024 10.845 5.628 663 HG23 VAL 80 HG23 VAL 80 -4.469 9.436 4.717 664 H GLY 81 H GLY 81 -8.831 9.320 8.019 665 HA2 GLY 81 HA2 GLY 81 -11.017 8.421 7.765 666 HA3 GLY 81 HA3 GLY 81 -10.371 6.994 6.977 667 H GLY 82 H GLY 82 -8.434 7.850 9.636 668 HA2 GLY 82 HA2 GLY 82 -9.758 7.006 11.943 669 HA3 GLY 82 HA3 GLY 82 -8.914 5.594 11.229 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -14.208 10.271 5.727 2 HA2 GLY 1 HA2 GLY 1 -16.073 9.691 4.257 3 HA3 GLY 1 HA3 GLY 1 -14.728 10.399 3.338 4 H ASN 2 H ASN 2 -15.697 9.211 1.461 5 HA ASN 2 HA ASN 2 -15.653 6.332 1.510 6 HB2 ASN 2 HB2 ASN 2 -16.399 6.419 -0.751 7 HB3 ASN 2 HB3 ASN 2 -17.276 7.624 0.175 8 HD21 ASN 2 HD21 ASN 2 -14.876 7.141 -2.489 9 HD22 ASN 2 HD22 ASN 2 -14.958 8.830 -2.957 10 H ARG 3 H ARG 3 -12.882 7.901 1.810 11 HA ARG 3 HA ARG 3 -11.450 6.116 -0.101 12 HB2 ARG 3 HB2 ARG 3 -11.575 8.318 -1.165 13 HB3 ARG 3 HB3 ARG 3 -11.110 9.094 0.341 14 HG2 ARG 3 HG2 ARG 3 -9.240 9.258 -0.983 15 HG3 ARG 3 HG3 ARG 3 -8.863 7.989 0.178 16 HD2 ARG 3 HD2 ARG 3 -7.933 7.562 -1.985 17 HD3 ARG 3 HD3 ARG 3 -9.065 6.305 -1.518 18 HE ARG 3 HE ARG 3 -10.715 7.901 -2.933 19 HH11 ARG 3 HH11 ARG 3 -7.373 7.687 -4.232 20 HH12 ARG 3 HH12 ARG 3 -7.907 6.829 -5.638 21 HH21 ARG 3 HH21 ARG 3 -11.314 6.992 -5.025 22 HH22 ARG 3 HH22 ARG 3 -10.021 6.721 -6.162 23 H PHE 4 H PHE 4 -9.658 5.179 0.818 24 HA PHE 4 HA PHE 4 -8.726 6.089 3.482 25 HB2 PHE 4 HB2 PHE 4 -9.216 3.227 2.516 26 HB3 PHE 4 HB3 PHE 4 -8.352 3.656 3.974 27 HD1 PHE 4 HD1 PHE 4 -11.744 3.864 2.385 28 HD2 PHE 4 HD2 PHE 4 -9.447 3.899 6.033 29 HE1 PHE 4 HE1 PHE 4 -13.841 3.607 3.721 30 HE2 PHE 4 HE2 PHE 4 -11.516 3.586 7.342 31 HZ PHE 4 HZ PHE 4 -13.721 3.443 6.191 32 H ILE 5 H ILE 5 -6.495 5.388 3.875 33 HA ILE 5 HA ILE 5 -4.946 4.835 1.437 34 HB ILE 5 HB ILE 5 -4.491 7.158 3.353 35 HG12 ILE 5 HG12 ILE 5 -4.576 7.451 0.371 36 HG13 ILE 5 HG13 ILE 5 -6.138 7.242 1.059 37 HG21 ILE 5 HG21 ILE 5 -2.746 6.234 1.008 38 HG22 ILE 5 HG22 ILE 5 -2.550 7.768 1.893 39 HG23 ILE 5 HG23 ILE 5 -2.285 6.230 2.718 40 HD11 ILE 5 HD11 ILE 5 -6.073 9.199 2.282 41 HD12 ILE 5 HD12 ILE 5 -4.308 9.415 2.093 42 HD13 ILE 5 HD13 ILE 5 -5.408 9.618 0.706 43 H VAL 6 H VAL 6 -3.060 3.761 1.782 44 HA VAL 6 HA VAL 6 -2.640 2.483 4.441 45 HB VAL 6 HB VAL 6 -1.572 1.765 1.679 46 HG11 VAL 6 HG11 VAL 6 -1.662 -0.057 4.092 47 HG12 VAL 6 HG12 VAL 6 -0.817 -0.302 2.559 48 HG13 VAL 6 HG13 VAL 6 -0.247 0.931 3.693 49 HG21 VAL 6 HG21 VAL 6 -3.892 0.517 3.193 50 HG22 VAL 6 HG22 VAL 6 -3.994 1.426 1.684 51 HG23 VAL 6 HG23 VAL 6 -3.174 -0.146 1.723 52 H PHE 7 H PHE 7 -0.857 3.149 5.576 53 HA PHE 7 HA PHE 7 1.079 5.011 4.295 54 HB2 PHE 7 HB2 PHE 7 -0.030 5.694 6.478 55 HB3 PHE 7 HB3 PHE 7 0.608 4.269 7.230 56 HD1 PHE 7 HD2 PHE 7 1.690 7.381 5.386 57 HD2 PHE 7 HD1 PHE 7 2.794 4.275 8.152 58 HE1 PHE 7 HE2 PHE 7 3.934 8.362 5.598 59 HE2 PHE 7 HE1 PHE 7 5.065 5.222 8.329 60 HZ PHE 7 HZ PHE 7 5.645 7.235 6.996 61 H VAL 8 H VAL 8 2.723 3.699 3.281 62 HA VAL 8 HA VAL 8 3.748 1.424 4.924 63 HB VAL 8 HB VAL 8 4.128 1.739 1.937 64 HG11 VAL 8 HG11 VAL 8 4.356 -0.598 3.878 65 HG12 VAL 8 HG12 VAL 8 4.467 -0.776 2.139 66 HG13 VAL 8 HG13 VAL 8 5.670 0.183 3.018 67 HG21 VAL 8 HG21 VAL 8 1.888 0.218 3.315 68 HG22 VAL 8 HG22 VAL 8 1.713 1.603 2.209 69 HG23 VAL 8 HG23 VAL 8 2.335 0.074 1.601 70 H GLY 9 H GLY 9 6.049 1.422 5.413 71 HA2 GLY 9 HA2 GLY 9 7.707 3.352 3.952 72 HA3 GLY 9 HA3 GLY 9 7.546 3.726 5.642 73 H SER 10 H SER 10 9.934 3.427 5.017 74 HA SER 10 HA SER 10 11.841 2.520 5.717 75 HB2 SER 10 HB2 SER 10 10.148 0.743 6.999 76 HB3 SER 10 HB3 SER 10 10.986 -0.316 5.894 77 HG SER 10 HG SER 10 11.935 -0.004 7.981 78 H LEU 11 H LEU 11 10.225 2.070 3.001 79 HA LEU 11 HA LEU 11 11.072 -0.020 1.544 80 HB2 LEU 11 HB2 LEU 11 10.415 2.805 0.747 81 HB3 LEU 11 HB3 LEU 11 10.889 1.634 -0.465 82 HG LEU 11 HG LEU 11 9.067 0.143 0.074 83 HD11 LEU 11 HD11 LEU 11 8.679 0.453 2.483 84 HD12 LEU 11 HD12 LEU 11 7.218 0.886 1.612 85 HD13 LEU 11 HD13 LEU 11 8.275 2.174 2.219 86 HD21 LEU 11 HD21 LEU 11 8.650 1.938 -1.500 87 HD22 LEU 11 HD22 LEU 11 8.131 3.028 -0.196 88 HD23 LEU 11 HD23 LEU 11 7.188 1.573 -0.599 89 HA PRO 12 HA PRO 12 15.387 0.115 0.610 90 HB2 PRO 12 HB2 PRO 12 15.280 -1.099 -1.961 91 HB3 PRO 12 HB3 PRO 12 15.336 -1.937 -0.407 92 HG2 PRO 12 HG2 PRO 12 13.058 -1.483 -2.233 93 HG3 PRO 12 HG3 PRO 12 13.286 -2.753 -0.990 94 HD2 PRO 12 HD2 PRO 12 11.606 -0.579 -0.689 95 HD3 PRO 12 HD3 PRO 12 12.336 -1.548 0.619 96 H ARG 13 H ARG 13 16.953 0.553 -1.258 97 HA ARG 13 HA ARG 13 16.426 3.271 -2.265 98 HB2 ARG 13 HB2 ARG 13 18.782 1.365 -2.635 99 HB3 ARG 13 HB3 ARG 13 18.751 3.040 -3.183 100 HG2 ARG 13 HG2 ARG 13 18.313 2.380 -0.275 101 HG3 ARG 13 HG3 ARG 13 19.942 2.480 -0.924 102 HD2 ARG 13 HD2 ARG 13 19.746 4.759 -1.482 103 HD3 ARG 13 HD3 ARG 13 17.991 4.745 -1.315 104 HE ARG 13 HE ARG 13 19.973 4.534 0.916 105 HH11 ARG 13 HH11 ARG 13 16.563 5.255 -0.044 106 HH12 ARG 13 HH12 ARG 13 16.082 5.383 1.612 107 HH21 ARG 13 HH21 ARG 13 19.290 4.906 2.985 108 HH22 ARG 13 HH22 ARG 13 17.637 5.390 3.317 109 H ASP 14 H ASP 14 16.992 -0.016 -3.590 110 HA ASP 14 HA ASP 14 16.406 0.784 -6.313 111 HB2 ASP 14 HB2 ASP 14 17.175 -1.776 -5.146 112 HB3 ASP 14 HB3 ASP 14 16.833 -1.577 -6.858 113 H ILE 15 H ILE 15 14.216 0.992 -4.242 114 HA ILE 15 HA ILE 15 12.300 -1.075 -4.795 115 HB ILE 15 HB ILE 15 12.074 0.390 -2.841 116 HG12 ILE 15 HG12 ILE 15 9.653 1.013 -3.140 117 HG13 ILE 15 HG13 ILE 15 9.757 0.540 -4.846 118 HG21 ILE 15 HG21 ILE 15 12.925 2.516 -3.880 119 HG22 ILE 15 HG22 ILE 15 11.354 2.687 -4.676 120 HG23 ILE 15 HG23 ILE 15 11.477 2.684 -2.901 121 HD11 ILE 15 HD11 ILE 15 10.256 -1.278 -2.467 122 HD12 ILE 15 HD12 ILE 15 8.783 -1.180 -3.450 123 HD13 ILE 15 HD13 ILE 15 10.280 -1.755 -4.189 124 H THR 16 H THR 16 10.638 -1.151 -6.516 125 HA THR 16 HA THR 16 10.801 1.001 -8.523 126 HB THR 16 HB THR 16 10.135 -1.808 -9.297 127 HG1 THR 16 HG1 THR 16 12.812 -0.954 -8.856 128 HG21 THR 16 HG21 THR 16 11.802 0.354 -10.601 129 HG22 THR 16 HG22 THR 16 10.087 0.028 -10.913 130 HG23 THR 16 HG23 THR 16 11.297 -1.187 -11.342 131 H ALA 17 H ALA 17 8.827 1.451 -9.502 132 HA ALA 17 HA ALA 17 6.441 1.150 -8.028 133 HB1 ALA 17 HB1 ALA 17 6.807 2.860 -9.757 134 HB2 ALA 17 HB2 ALA 17 7.063 1.595 -10.979 135 HB3 ALA 17 HB3 ALA 17 5.446 1.837 -10.288 136 H VAL 18 H VAL 18 7.957 -0.847 -10.524 137 HA VAL 18 HA VAL 18 5.824 -2.550 -11.185 138 HB VAL 18 HB VAL 18 8.840 -3.043 -11.120 139 HG11 VAL 18 HG11 VAL 18 6.701 -4.639 -12.596 140 HG12 VAL 18 HG12 VAL 18 8.458 -4.844 -12.763 141 HG13 VAL 18 HG13 VAL 18 7.675 -5.224 -11.229 142 HG21 VAL 18 HG21 VAL 18 8.730 -2.579 -13.558 143 HG22 VAL 18 HG22 VAL 18 7.001 -2.198 -13.389 144 HG23 VAL 18 HG23 VAL 18 8.225 -1.173 -12.609 145 H GLU 19 H GLU 19 8.381 -2.926 -8.573 146 HA GLU 19 HA GLU 19 7.183 -5.419 -7.792 147 HB2 GLU 19 HB2 GLU 19 9.423 -3.692 -6.822 148 HB3 GLU 19 HB3 GLU 19 8.659 -4.706 -5.603 149 HG2 GLU 19 HG2 GLU 19 9.618 -5.790 -8.288 150 HG3 GLU 19 HG3 GLU 19 10.621 -5.750 -6.843 151 H LEU 20 H LEU 20 6.710 -2.025 -6.862 152 HA LEU 20 HA LEU 20 5.094 -2.626 -4.569 153 HB2 LEU 20 HB2 LEU 20 5.128 -0.249 -6.478 154 HB3 LEU 20 HB3 LEU 20 4.085 -0.321 -5.066 155 HG LEU 20 HG LEU 20 7.120 -0.426 -5.048 156 HD11 LEU 20 HD11 LEU 20 5.204 1.771 -4.177 157 HD12 LEU 20 HD12 LEU 20 6.174 1.769 -5.671 158 HD13 LEU 20 HD13 LEU 20 6.978 1.806 -4.090 159 HD21 LEU 20 HD21 LEU 20 6.813 -0.017 -2.553 160 HD22 LEU 20 HD22 LEU 20 6.314 -1.628 -3.076 161 HD23 LEU 20 HD23 LEU 20 5.091 -0.376 -2.772 162 H GLN 21 H GLN 21 4.153 -2.040 -8.034 163 HA GLN 21 HA GLN 21 1.409 -2.441 -7.561 164 HB2 GLN 21 HB2 GLN 21 3.120 -2.809 -10.052 165 HB3 GLN 21 HB3 GLN 21 1.367 -3.007 -10.051 166 HG2 GLN 21 HG2 GLN 21 1.839 -0.528 -8.724 167 HG3 GLN 21 HG3 GLN 21 2.957 -0.551 -10.076 168 HE21 GLN 21 HE21 GLN 21 -0.549 -1.278 -9.358 169 HE22 GLN 21 HE22 GLN 21 -1.143 -0.475 -10.780 170 H ASN 22 H ASN 22 4.018 -4.775 -8.191 171 HA ASN 22 HA ASN 22 2.276 -7.046 -8.502 172 HB2 ASN 22 HB2 ASN 22 4.489 -7.273 -9.377 173 HB3 ASN 22 HB3 ASN 22 5.234 -6.678 -7.886 174 HD21 ASN 22 HD21 ASN 22 6.259 -8.302 -6.754 175 HD22 ASN 22 HD22 ASN 22 5.606 -9.927 -6.610 176 H HIS 23 H HIS 23 4.248 -5.868 -5.688 177 HA HIS 23 HA HIS 23 3.315 -7.918 -3.981 178 HB2 HIS 23 HB2 HIS 23 5.150 -5.770 -3.788 179 HB3 HIS 23 HB3 HIS 23 4.014 -5.533 -2.487 180 HD2 HIS 23 HD2 HIS 23 3.814 -7.629 -0.670 181 HE1 HIS 23 HE1 HIS 23 7.276 -9.724 -1.976 182 HE2 HIS 23 HE2 HIS 23 5.486 -9.546 -0.149 183 H PHE 24 H PHE 24 1.686 -4.954 -4.967 184 HA PHE 24 HA PHE 24 -0.424 -5.460 -2.907 185 HB2 PHE 24 HB2 PHE 24 0.292 -2.907 -4.325 186 HB3 PHE 24 HB3 PHE 24 -1.147 -3.139 -3.345 187 HD1 PHE 24 HD1 PHE 24 -0.962 -3.681 -0.878 188 HD2 PHE 24 HD2 PHE 24 2.432 -2.572 -3.249 189 HE1 PHE 24 HE1 PHE 24 0.341 -3.205 1.210 190 HE2 PHE 24 HE2 PHE 24 3.699 -2.005 -1.207 191 HZ PHE 24 HZ PHE 24 2.655 -2.340 1.040 192 H LYS 25 H LYS 25 0.165 -6.505 -5.882 193 HA LYS 25 HA LYS 25 -2.095 -5.830 -7.395 194 HB2 LYS 25 HB2 LYS 25 0.134 -7.423 -7.730 195 HB3 LYS 25 HB3 LYS 25 -1.172 -8.584 -7.771 196 HG2 LYS 25 HG2 LYS 25 -2.280 -6.919 -9.428 197 HG3 LYS 25 HG3 LYS 25 -0.688 -6.141 -9.487 198 HD2 LYS 25 HD2 LYS 25 0.314 -8.354 -10.166 199 HD3 LYS 25 HD3 LYS 25 -1.327 -9.048 -10.185 200 HE2 LYS 25 HE2 LYS 25 -1.959 -7.206 -11.829 201 HE3 LYS 25 HE3 LYS 25 -0.240 -6.787 -11.918 202 HZ1 LYS 25 HZ1 LYS 25 0.181 -9.053 -12.694 203 HZ2 LYS 25 HZ2 LYS 25 -0.829 -8.247 -13.703 204 HZ3 LYS 25 HZ3 LYS 25 -1.448 -9.368 -12.685 205 H ASN 26 H ASN 26 -1.968 -8.083 -4.647 206 HA ASN 26 HA ASN 26 -4.535 -9.296 -5.463 207 HB2 ASN 26 HB2 ASN 26 -2.586 -10.523 -4.280 208 HB3 ASN 26 HB3 ASN 26 -3.134 -9.745 -2.808 209 HD21 ASN 26 HD21 ASN 26 -6.015 -9.932 -3.200 210 HD22 ASN 26 HD22 ASN 26 -6.416 -11.637 -3.201 211 H SER 27 H SER 27 -3.262 -6.703 -3.380 212 HA SER 27 HA SER 27 -5.780 -6.334 -1.886 213 HB2 SER 27 HB2 SER 27 -4.421 -4.080 -1.397 214 HB3 SER 27 HB3 SER 27 -4.129 -5.586 -0.535 215 HG SER 27 HG SER 27 -2.180 -5.563 -1.236 216 H SER 28 H SER 28 -4.232 -5.109 -4.812 217 HA SER 28 HA SER 28 -4.959 -3.919 -6.543 218 HB2 SER 28 HB2 SER 28 -7.697 -4.742 -5.567 219 HB3 SER 28 HB3 SER 28 -7.357 -3.972 -7.131 220 HG SER 28 HG SER 28 -7.277 -6.483 -6.834 221 HA PRO 29 HA PRO 29 -5.407 -0.066 -3.945 222 HB2 PRO 29 HB2 PRO 29 -3.177 1.197 -4.861 223 HB3 PRO 29 HB3 PRO 29 -3.119 -0.042 -3.566 224 HG2 PRO 29 HG2 PRO 29 -2.666 -0.470 -6.540 225 HG3 PRO 29 HG3 PRO 29 -1.573 -0.950 -5.198 226 HD2 PRO 29 HD2 PRO 29 -3.268 -2.713 -6.246 227 HD3 PRO 29 HD3 PRO 29 -3.087 -2.634 -4.464 228 H ASP 30 H ASP 30 -5.855 2.096 -4.710 229 HA ASP 30 HA ASP 30 -7.140 2.069 -7.356 230 HB2 ASP 30 HB2 ASP 30 -8.226 3.127 -5.348 231 HB3 ASP 30 HB3 ASP 30 -6.928 4.335 -5.322 232 H GLN 31 H GLN 31 -4.517 3.729 -5.587 233 HA GLN 31 HA GLN 31 -2.918 3.985 -7.978 234 HB2 GLN 31 HB2 GLN 31 -4.394 5.996 -8.031 235 HB3 GLN 31 HB3 GLN 31 -3.784 6.502 -6.456 236 HG2 GLN 31 HG2 GLN 31 -1.607 6.944 -7.287 237 HG3 GLN 31 HG3 GLN 31 -1.839 5.929 -8.711 238 HE21 GLN 31 HE21 GLN 31 -2.774 6.808 -10.603 239 HE22 GLN 31 HE22 GLN 31 -3.205 8.467 -10.770 240 H ILE 32 H ILE 32 -0.753 4.041 -7.431 241 HA ILE 32 HA ILE 32 -0.007 3.883 -4.553 242 HB ILE 32 HB ILE 32 1.471 2.863 -7.020 243 HG12 ILE 32 HG12 ILE 32 0.879 0.550 -5.716 244 HG13 ILE 32 HG13 ILE 32 -0.569 1.473 -5.313 245 HG21 ILE 32 HG21 ILE 32 3.018 3.328 -5.220 246 HG22 ILE 32 HG22 ILE 32 2.041 2.393 -4.071 247 HG23 ILE 32 HG23 ILE 32 2.863 1.596 -5.422 248 HD11 ILE 32 HD11 ILE 32 -0.612 0.022 -7.431 249 HD12 ILE 32 HD12 ILE 32 -1.137 1.702 -7.660 250 HD13 ILE 32 HD13 ILE 32 0.490 1.186 -8.164 251 H ARG 33 H ARG 33 1.642 5.333 -3.865 252 HA ARG 33 HA ARG 33 2.906 7.058 -5.906 253 HB2 ARG 33 HB2 ARG 33 0.783 7.904 -4.433 254 HB3 ARG 33 HB3 ARG 33 2.007 8.134 -3.207 255 HG2 ARG 33 HG2 ARG 33 1.766 10.181 -4.383 256 HG3 ARG 33 HG3 ARG 33 3.333 9.454 -4.839 257 HD2 ARG 33 HD2 ARG 33 2.533 8.857 -7.002 258 HD3 ARG 33 HD3 ARG 33 0.855 9.110 -6.557 259 HE ARG 33 HE ARG 33 2.928 11.195 -7.050 260 HH11 ARG 33 HH11 ARG 33 -0.547 10.545 -6.381 261 HH12 ARG 33 HH12 ARG 33 -1.037 12.067 -7.055 262 HH21 ARG 33 HH21 ARG 33 2.197 13.123 -7.928 263 HH22 ARG 33 HH22 ARG 33 0.521 13.596 -7.801 264 H LEU 34 H LEU 34 4.948 6.305 -5.773 265 HA LEU 34 HA LEU 34 6.079 5.384 -3.206 266 HB2 LEU 34 HB2 LEU 34 6.364 4.053 -5.224 267 HB3 LEU 34 HB3 LEU 34 7.135 5.366 -6.069 268 HG LEU 34 HG LEU 34 8.560 3.365 -5.059 269 HD11 LEU 34 HD11 LEU 34 10.491 4.871 -4.787 270 HD12 LEU 34 HD12 LEU 34 9.414 6.278 -4.659 271 HD13 LEU 34 HD13 LEU 34 9.509 5.369 -6.168 272 HD21 LEU 34 HD21 LEU 34 9.416 3.626 -2.878 273 HD22 LEU 34 HD22 LEU 34 7.652 3.593 -2.759 274 HD23 LEU 34 HD23 LEU 34 8.542 5.121 -2.581 275 H ARG 35 H ARG 35 7.195 6.783 -1.885 276 HA ARG 35 HA ARG 35 8.196 9.333 -3.048 277 HB2 ARG 35 HB2 ARG 35 6.862 8.654 -0.426 278 HB3 ARG 35 HB3 ARG 35 8.119 9.896 -0.446 279 HG2 ARG 35 HG2 ARG 35 6.001 10.971 -0.643 280 HG3 ARG 35 HG3 ARG 35 6.900 11.165 -2.142 281 HD2 ARG 35 HD2 ARG 35 5.547 9.280 -3.128 282 HD3 ARG 35 HD3 ARG 35 4.592 9.233 -1.648 283 HE ARG 35 HE ARG 35 4.572 11.188 -3.827 284 HH11 ARG 35 HH11 ARG 35 3.412 10.675 -0.473 285 HH12 ARG 35 HH12 ARG 35 2.116 11.785 -0.636 286 HH21 ARG 35 HH21 ARG 35 2.904 12.657 -4.023 287 HH22 ARG 35 HH22 ARG 35 1.779 12.864 -2.722 288 H ALA 36 H ALA 36 10.087 8.232 -3.782 289 HA ALA 36 HA ALA 36 11.756 6.600 -2.172 290 HB1 ALA 36 HB1 ALA 36 13.507 7.140 -3.833 291 HB2 ALA 36 HB2 ALA 36 11.978 6.772 -4.641 292 HB3 ALA 36 HB3 ALA 36 12.513 8.460 -4.469 293 H ASP 37 H ASP 37 11.286 10.063 -2.214 294 HA ASP 37 HA ASP 37 13.705 11.000 -1.156 295 HB2 ASP 37 HB2 ASP 37 10.882 12.047 -0.780 296 HB3 ASP 37 HB3 ASP 37 12.351 12.923 -0.354 297 H LYS 38 H LYS 38 11.093 9.305 0.489 298 HA LYS 38 HA LYS 38 12.662 9.450 3.020 299 HB2 LYS 38 HB2 LYS 38 9.849 10.319 2.548 300 HB3 LYS 38 HB3 LYS 38 10.141 9.441 4.033 301 HG2 LYS 38 HG2 LYS 38 11.980 11.723 3.286 302 HG3 LYS 38 HG3 LYS 38 10.407 12.079 3.939 303 HD2 LYS 38 HD2 LYS 38 12.564 10.444 5.334 304 HD3 LYS 38 HD3 LYS 38 12.103 12.122 5.663 305 HE2 LYS 38 HE2 LYS 38 9.699 11.157 6.040 306 HE3 LYS 38 HE3 LYS 38 10.514 9.590 6.184 307 HZ1 LYS 38 HZ1 LYS 38 11.858 10.591 7.984 308 HZ2 LYS 38 HZ2 LYS 38 10.254 10.571 8.322 309 HZ3 LYS 38 HZ3 LYS 38 10.952 11.975 7.856 310 H GLY 39 H GLY 39 11.768 7.388 0.686 311 HA2 GLY 39 HA2 GLY 39 11.560 5.110 0.608 312 HA3 GLY 39 HA3 GLY 39 12.194 5.076 2.265 313 H ILE 40 H ILE 40 9.151 6.459 0.893 314 HA ILE 40 HA ILE 40 7.525 4.572 2.459 315 HB ILE 40 HB ILE 40 6.037 6.734 2.804 316 HG12 ILE 40 HG12 ILE 40 8.755 7.968 2.954 317 HG13 ILE 40 HG13 ILE 40 7.715 8.167 1.536 318 HG21 ILE 40 HG21 ILE 40 6.750 5.494 4.718 319 HG22 ILE 40 HG22 ILE 40 8.445 6.040 4.546 320 HG23 ILE 40 HG23 ILE 40 7.164 7.153 5.053 321 HD11 ILE 40 HD11 ILE 40 7.274 9.259 4.327 322 HD12 ILE 40 HD12 ILE 40 7.345 10.118 2.782 323 HD13 ILE 40 HD13 ILE 40 5.941 9.108 3.158 324 H ALA 41 H ALA 41 5.276 4.501 1.690 325 HA ALA 41 HA ALA 41 4.848 5.508 -1.005 326 HB1 ALA 41 HB1 ALA 41 4.752 2.539 -0.337 327 HB2 ALA 41 HB2 ALA 41 4.144 3.267 -1.835 328 HB3 ALA 41 HB3 ALA 41 5.874 3.325 -1.469 329 H PHE 42 H PHE 42 2.753 5.989 -1.303 330 HA PHE 42 HA PHE 42 0.823 5.309 0.871 331 HB2 PHE 42 HB2 PHE 42 0.849 7.613 -1.136 332 HB3 PHE 42 HB3 PHE 42 -0.386 7.321 0.077 333 HD1 PHE 42 HD1 PHE 42 3.228 8.142 -0.371 334 HD2 PHE 42 HD2 PHE 42 -0.115 8.104 2.342 335 HE1 PHE 42 HE1 PHE 42 4.559 9.454 1.289 336 HE2 PHE 42 HE2 PHE 42 1.205 9.405 3.985 337 HZ PHE 42 HZ PHE 42 3.545 10.053 3.474 338 H LEU 43 H LEU 43 -1.065 4.300 0.246 339 HA LEU 43 HA LEU 43 -1.493 3.765 -2.644 340 HB2 LEU 43 HB2 LEU 43 -1.589 1.668 -0.449 341 HB3 LEU 43 HB3 LEU 43 -2.165 1.486 -2.095 342 HG LEU 43 HG LEU 43 0.346 2.227 -2.678 343 HD11 LEU 43 HD11 LEU 43 1.976 1.186 -1.136 344 HD12 LEU 43 HD12 LEU 43 0.664 0.751 -0.024 345 HD13 LEU 43 HD13 LEU 43 1.087 2.449 -0.279 346 HD21 LEU 43 HD21 LEU 43 0.923 -0.152 -2.887 347 HD22 LEU 43 HD22 LEU 43 -0.731 0.161 -3.417 348 HD23 LEU 43 HD23 LEU 43 -0.445 -0.578 -1.829 349 H GLU 44 H GLU 44 -3.432 4.546 -3.089 350 HA GLU 44 HA GLU 44 -5.350 5.206 -0.915 351 HB2 GLU 44 HB2 GLU 44 -5.011 5.903 -3.867 352 HB3 GLU 44 HB3 GLU 44 -6.534 6.178 -3.017 353 HG2 GLU 44 HG2 GLU 44 -5.582 7.713 -1.498 354 HG3 GLU 44 HG3 GLU 44 -3.919 7.294 -1.968 355 H PHE 45 H PHE 45 -7.486 4.387 -0.899 356 HA PHE 45 HA PHE 45 -8.263 2.290 -2.830 357 HB2 PHE 45 HB2 PHE 45 -8.209 2.044 0.208 358 HB3 PHE 45 HB3 PHE 45 -9.134 0.995 -0.865 359 HD1 PHE 45 HD2 PHE 45 -5.635 2.021 0.000 360 HD2 PHE 45 HD1 PHE 45 -8.157 -0.832 -2.005 361 HE1 PHE 45 HE2 PHE 45 -3.676 0.565 -0.419 362 HE2 PHE 45 HE1 PHE 45 -6.201 -2.324 -2.333 363 HZ PHE 45 HZ PHE 45 -3.951 -1.633 -1.536 364 H ASP 46 H ASP 46 -10.264 2.750 -3.554 365 HA ASP 46 HA ASP 46 -11.816 4.931 -2.286 366 HB2 ASP 46 HB2 ASP 46 -11.258 4.729 -4.798 367 HB3 ASP 46 HB3 ASP 46 -12.516 3.528 -4.876 368 H ALA 47 H ALA 47 -13.269 4.370 -0.810 369 HA ALA 47 HA ALA 47 -14.313 1.707 -0.434 370 HB1 ALA 47 HB1 ALA 47 -15.339 4.269 0.825 371 HB2 ALA 47 HB2 ALA 47 -15.423 2.626 1.474 372 HB3 ALA 47 HB3 ALA 47 -13.856 3.463 1.381 373 H ASP 48 H ASP 48 -15.344 4.488 -2.348 374 HA ASP 48 HA ASP 48 -18.181 3.739 -2.331 375 HB2 ASP 48 HB2 ASP 48 -17.552 6.069 -2.845 376 HB3 ASP 48 HB3 ASP 48 -16.602 5.523 -4.235 377 H LYS 49 H LYS 49 -15.198 3.081 -4.348 378 HA LYS 49 HA LYS 49 -16.626 1.808 -6.413 379 HB2 LYS 49 HB2 LYS 49 -14.411 2.829 -6.703 380 HB3 LYS 49 HB3 LYS 49 -13.741 1.781 -5.435 381 HG2 LYS 49 HG2 LYS 49 -13.061 0.870 -7.524 382 HG3 LYS 49 HG3 LYS 49 -14.234 -0.156 -6.715 383 HD2 LYS 49 HD2 LYS 49 -16.036 0.783 -8.214 384 HD3 LYS 49 HD3 LYS 49 -14.784 1.686 -9.087 385 HE2 LYS 49 HE2 LYS 49 -13.695 -0.502 -9.651 386 HE3 LYS 49 HE3 LYS 49 -14.984 -1.342 -8.770 387 HZ1 LYS 49 HZ1 LYS 49 -15.649 -1.398 -10.992 388 HZ2 LYS 49 HZ2 LYS 49 -15.196 0.152 -11.305 389 HZ3 LYS 49 HZ3 LYS 49 -16.524 -0.138 -10.387 390 H ASP 50 H ASP 50 -15.080 0.665 -3.371 391 HA ASP 50 HA ASP 50 -16.351 -2.007 -3.869 392 HB2 ASP 50 HB2 ASP 50 -13.685 -1.308 -2.623 393 HB3 ASP 50 HB3 ASP 50 -14.477 -2.871 -2.413 394 H ARG 51 H ARG 51 -18.288 -0.976 -2.791 395 HA ARG 51 HA ARG 51 -18.236 -0.145 -0.115 396 HB2 ARG 51 HB2 ARG 51 -20.430 -1.816 -1.444 397 HB3 ARG 51 HB3 ARG 51 -20.552 -0.993 0.100 398 HG2 ARG 51 HG2 ARG 51 -19.961 1.174 -1.313 399 HG3 ARG 51 HG3 ARG 51 -20.549 0.193 -2.669 400 HD2 ARG 51 HD2 ARG 51 -22.615 -0.339 -1.297 401 HD3 ARG 51 HD3 ARG 51 -22.028 0.764 -0.054 402 HE ARG 51 HE ARG 51 -23.577 1.371 -2.264 403 HH11 ARG 51 HH11 ARG 51 -20.767 2.771 -0.569 404 HH12 ARG 51 HH12 ARG 51 -21.195 4.409 -0.936 405 HH21 ARG 51 HH21 ARG 51 -24.240 3.595 -2.544 406 HH22 ARG 51 HH22 ARG 51 -23.233 4.874 -2.013 407 H THR 52 H THR 52 -18.326 -3.505 -1.341 408 HA THR 52 HA THR 52 -18.178 -4.546 1.425 409 HB THR 52 HB THR 52 -18.743 -6.700 0.205 410 HG1 THR 52 HG1 THR 52 -18.074 -5.901 -1.961 411 HG21 THR 52 HG21 THR 52 -21.085 -6.121 -0.165 412 HG22 THR 52 HG22 THR 52 -20.693 -4.397 -0.249 413 HG23 THR 52 HG23 THR 52 -20.496 -5.270 1.280 414 H GLY 53 H GLY 53 -15.938 -3.669 -0.969 415 HA2 GLY 53 HA2 GLY 53 -14.140 -5.964 -0.252 416 HA3 GLY 53 HA3 GLY 53 -14.098 -5.067 -1.754 417 H ILE 54 H ILE 54 -14.477 -2.466 0.135 418 HA ILE 54 HA ILE 54 -11.848 -1.662 0.012 419 HB ILE 54 HB ILE 54 -13.690 -0.164 0.208 420 HG12 ILE 54 HG12 ILE 54 -13.010 1.401 2.020 421 HG13 ILE 54 HG13 ILE 54 -12.002 0.148 2.723 422 HG21 ILE 54 HG21 ILE 54 -15.072 0.221 2.171 423 HG22 ILE 54 HG22 ILE 54 -15.262 -1.445 1.648 424 HG23 ILE 54 HG23 ILE 54 -14.247 -1.066 3.050 425 HD11 ILE 54 HD11 ILE 54 -10.729 1.786 1.337 426 HD12 ILE 54 HD12 ILE 54 -10.573 0.134 0.725 427 HD13 ILE 54 HD13 ILE 54 -11.660 1.289 -0.090 428 H GLN 55 H GLN 55 -13.449 -3.067 2.949 429 HA GLN 55 HA GLN 55 -11.115 -2.849 4.543 430 HB2 GLN 55 HB2 GLN 55 -13.571 -3.529 5.235 431 HB3 GLN 55 HB3 GLN 55 -13.027 -5.168 4.916 432 HG2 GLN 55 HG2 GLN 55 -12.108 -3.221 7.010 433 HG3 GLN 55 HG3 GLN 55 -12.758 -4.847 7.215 434 HE21 GLN 55 HE21 GLN 55 -11.173 -6.715 6.352 435 HE22 GLN 55 HE22 GLN 55 -9.489 -6.371 6.673 436 H ARG 56 H ARG 56 -12.401 -5.652 2.665 437 HA ARG 56 HA ARG 56 -10.342 -7.462 3.149 438 HB2 ARG 56 HB2 ARG 56 -12.035 -7.022 0.647 439 HB3 ARG 56 HB3 ARG 56 -10.898 -8.352 0.786 440 HG2 ARG 56 HG2 ARG 56 -12.551 -8.196 3.199 441 HG3 ARG 56 HG3 ARG 56 -13.581 -8.245 1.771 442 HD2 ARG 56 HD2 ARG 56 -11.255 -10.157 2.154 443 HD3 ARG 56 HD3 ARG 56 -12.821 -10.450 2.884 444 HE ARG 56 HE ARG 56 -13.711 -10.120 0.469 445 HH11 ARG 56 HH11 ARG 56 -10.588 -11.698 1.127 446 HH12 ARG 56 HH12 ARG 56 -10.780 -12.914 -0.085 447 HH21 ARG 56 HH21 ARG 56 -13.926 -11.643 -1.187 448 HH22 ARG 56 HH22 ARG 56 -12.716 -12.864 -1.454 449 H ARG 57 H ARG 57 -10.460 -4.996 0.566 450 HA ARG 57 HA ARG 57 -7.966 -5.560 -0.669 451 HB2 ARG 57 HB2 ARG 57 -9.595 -2.989 -0.414 452 HB3 ARG 57 HB3 ARG 57 -8.139 -3.148 -1.387 453 HG2 ARG 57 HG2 ARG 57 -9.173 -4.830 -2.816 454 HG3 ARG 57 HG3 ARG 57 -10.620 -4.856 -1.857 455 HD2 ARG 57 HD2 ARG 57 -11.317 -2.721 -2.565 456 HD3 ARG 57 HD3 ARG 57 -9.694 -2.226 -3.024 457 HE ARG 57 HE ARG 57 -11.106 -4.419 -4.480 458 HH11 ARG 57 HH11 ARG 57 -10.128 -0.999 -4.672 459 HH12 ARG 57 HH12 ARG 57 -10.101 -0.996 -6.383 460 HH21 ARG 57 HH21 ARG 57 -11.219 -4.267 -6.782 461 HH22 ARG 57 HH22 ARG 57 -10.702 -2.809 -7.562 462 H MET 58 H MET 58 -8.767 -3.262 2.010 463 HA MET 58 HA MET 58 -6.078 -2.404 2.437 464 HB2 MET 58 HB2 MET 58 -8.564 -2.437 4.216 465 HB3 MET 58 HB3 MET 58 -6.997 -1.878 4.779 466 HG2 MET 58 HG2 MET 58 -6.972 -0.338 2.729 467 HG3 MET 58 HG3 MET 58 -8.705 -0.649 2.605 468 HE1 MET 58 HE1 MET 58 -10.474 0.745 4.156 469 HE2 MET 58 HE2 MET 58 -10.042 -0.619 5.245 470 HE3 MET 58 HE3 MET 58 -10.080 1.064 5.850 471 H ASP 59 H ASP 59 -7.920 -5.154 3.770 472 HA ASP 59 HA ASP 59 -6.336 -5.970 5.886 473 HB2 ASP 59 HB2 ASP 59 -8.549 -6.877 4.700 474 HB3 ASP 59 HB3 ASP 59 -7.487 -8.044 4.007 475 H ILE 60 H ILE 60 -6.187 -6.995 2.532 476 HA ILE 60 HA ILE 60 -3.923 -8.713 2.713 477 HB ILE 60 HB ILE 60 -5.286 -7.185 0.465 478 HG12 ILE 60 HG12 ILE 60 -5.658 -10.151 0.945 479 HG13 ILE 60 HG13 ILE 60 -6.590 -9.001 1.872 480 HG21 ILE 60 HG21 ILE 60 -3.336 -9.526 0.226 481 HG22 ILE 60 HG22 ILE 60 -4.371 -8.955 -1.095 482 HG23 ILE 60 HG23 ILE 60 -3.131 -7.890 -0.438 483 HD11 ILE 60 HD11 ILE 60 -6.659 -9.352 -1.127 484 HD12 ILE 60 HD12 ILE 60 -7.977 -9.471 0.064 485 HD13 ILE 60 HD13 ILE 60 -7.294 -7.898 -0.324 486 H ALA 61 H ALA 61 -4.181 -5.225 2.520 487 HA ALA 61 HA ALA 61 -1.363 -4.862 1.731 488 HB1 ALA 61 HB1 ALA 61 -3.130 -3.269 0.933 489 HB2 ALA 61 HB2 ALA 61 -3.421 -2.789 2.621 490 HB3 ALA 61 HB3 ALA 61 -1.851 -2.485 1.883 491 H LEU 62 H LEU 62 -3.482 -4.659 4.618 492 HA LEU 62 HA LEU 62 -1.640 -3.567 6.479 493 HB2 LEU 62 HB2 LEU 62 -4.151 -5.243 6.647 494 HB3 LEU 62 HB3 LEU 62 -3.200 -5.019 8.098 495 HG LEU 62 HG LEU 62 -3.965 -2.604 6.448 496 HD11 LEU 62 HD11 LEU 62 -6.074 -3.817 6.825 497 HD12 LEU 62 HD12 LEU 62 -6.008 -2.343 7.785 498 HD13 LEU 62 HD13 LEU 62 -5.727 -3.922 8.560 499 HD21 LEU 62 HD21 LEU 62 -3.514 -3.046 9.444 500 HD22 LEU 62 HD22 LEU 62 -3.754 -1.488 8.637 501 HD23 LEU 62 HD23 LEU 62 -2.294 -2.424 8.323 502 H LEU 63 H LEU 63 -2.419 -6.883 5.644 503 HA LEU 63 HA LEU 63 -0.770 -8.271 7.414 504 HB2 LEU 63 HB2 LEU 63 -1.911 -8.834 4.655 505 HB3 LEU 63 HB3 LEU 63 -0.967 -10.060 5.460 506 HG LEU 63 HG LEU 63 -3.424 -8.787 6.732 507 HD11 LEU 63 HD11 LEU 63 -4.609 -10.805 6.121 508 HD12 LEU 63 HD12 LEU 63 -3.168 -11.466 5.302 509 HD13 LEU 63 HD13 LEU 63 -3.999 -10.023 4.661 510 HD21 LEU 63 HD21 LEU 63 -3.344 -10.752 8.220 511 HD22 LEU 63 HD22 LEU 63 -1.898 -9.778 8.382 512 HD23 LEU 63 HD23 LEU 63 -1.823 -11.281 7.450 513 H GLN 64 H GLN 64 0.456 -6.169 5.055 514 HA GLN 64 HA GLN 64 2.849 -7.781 4.493 515 HB2 GLN 64 HB2 GLN 64 2.206 -4.958 3.616 516 HB3 GLN 64 HB3 GLN 64 3.420 -6.038 2.945 517 HG2 GLN 64 HG2 GLN 64 0.402 -6.508 2.844 518 HG3 GLN 64 HG3 GLN 64 1.329 -5.777 1.589 519 HE21 GLN 64 HE21 GLN 64 -0.303 -8.372 1.800 520 HE22 GLN 64 HE22 GLN 64 0.784 -9.561 1.100 521 H HIS 65 H HIS 65 1.824 -5.865 7.090 522 HA HIS 65 HA HIS 65 4.005 -4.187 7.642 523 HB2 HIS 65 HB2 HIS 65 1.752 -4.231 8.725 524 HB3 HIS 65 HB3 HIS 65 2.244 -5.643 9.651 525 HD2 HIS 65 HD2 HIS 65 1.488 -3.844 11.648 526 HE1 HIS 65 HE1 HIS 65 4.786 -1.211 11.280 527 HE2 HIS 65 HE2 HIS 65 2.724 -1.800 12.641 528 H GLY 66 H GLY 66 6.020 -4.783 7.801 529 HA2 GLY 66 HA2 GLY 66 7.878 -5.712 8.792 530 HA3 GLY 66 HA3 GLY 66 6.955 -7.007 9.516 531 H THR 67 H THR 67 6.203 -6.817 6.145 532 HA THR 67 HA THR 67 7.655 -9.289 5.686 533 HB THR 67 HB THR 67 6.840 -9.039 3.343 534 HG1 THR 67 HG1 THR 67 5.490 -6.732 4.311 535 HG21 THR 67 HG21 THR 67 4.451 -9.333 3.866 536 HG22 THR 67 HG22 THR 67 4.722 -8.715 5.514 537 HG23 THR 67 HG23 THR 67 5.493 -10.212 4.999 538 H LEU 68 H LEU 68 9.230 -9.571 3.912 539 HA LEU 68 HA LEU 68 11.188 -7.351 3.818 540 HB2 LEU 68 HB2 LEU 68 11.628 -10.338 3.498 541 HB3 LEU 68 HB3 LEU 68 12.858 -9.082 3.416 542 HG LEU 68 HG LEU 68 11.384 -10.146 5.843 543 HD11 LEU 68 HD11 LEU 68 13.657 -10.178 6.791 544 HD12 LEU 68 HD12 LEU 68 14.316 -9.515 5.280 545 HD13 LEU 68 HD13 LEU 68 13.583 -11.135 5.279 546 HD21 LEU 68 HD21 LEU 68 12.878 -7.520 5.607 547 HD22 LEU 68 HD22 LEU 68 12.556 -8.326 7.154 548 HD23 LEU 68 HD23 LEU 68 11.193 -7.791 6.182 549 H LEU 69 H LEU 69 11.001 -6.300 1.958 550 HA LEU 69 HA LEU 69 10.536 -7.785 -0.610 551 HB2 LEU 69 HB2 LEU 69 9.109 -5.601 0.486 552 HB3 LEU 69 HB3 LEU 69 10.213 -4.858 -0.671 553 HG LEU 69 HG LEU 69 8.271 -7.068 -1.328 554 HD11 LEU 69 HD11 LEU 69 8.220 -4.055 -1.856 555 HD12 LEU 69 HD12 LEU 69 7.117 -4.989 -0.810 556 HD13 LEU 69 HD13 LEU 69 7.090 -5.228 -2.557 557 HD21 LEU 69 HD21 LEU 69 10.190 -7.138 -2.849 558 HD22 LEU 69 HD22 LEU 69 10.088 -5.379 -3.117 559 HD23 LEU 69 HD23 LEU 69 8.801 -6.467 -3.684 560 H LYS 70 H LYS 70 12.325 -7.618 -2.072 561 HA LYS 70 HA LYS 70 14.526 -7.288 -2.629 562 HB2 LYS 70 HB2 LYS 70 13.560 -4.467 -2.183 563 HB3 LYS 70 HB3 LYS 70 15.156 -4.875 -2.850 564 HG2 LYS 70 HG2 LYS 70 14.020 -5.925 -4.769 565 HG3 LYS 70 HG3 LYS 70 12.444 -5.613 -3.999 566 HD2 LYS 70 HD2 LYS 70 13.175 -3.131 -3.894 567 HD3 LYS 70 HD3 LYS 70 14.480 -3.562 -5.007 568 HE2 LYS 70 HE2 LYS 70 11.770 -4.552 -5.682 569 HE3 LYS 70 HE3 LYS 70 11.896 -2.786 -5.634 570 HZ1 LYS 70 HZ1 LYS 70 13.778 -2.957 -7.182 571 HZ2 LYS 70 HZ2 LYS 70 12.420 -3.540 -7.875 572 HZ3 LYS 70 HZ3 LYS 70 13.547 -4.590 -7.330 573 H GLU 71 H GLU 71 14.384 -8.207 -0.176 574 HA GLU 71 HA GLU 71 15.525 -8.717 1.686 575 HB2 GLU 71 HB2 GLU 71 17.800 -6.925 0.783 576 HB3 GLU 71 HB3 GLU 71 17.828 -8.296 1.891 577 HG2 GLU 71 HG2 GLU 71 16.911 -9.604 -0.250 578 HG3 GLU 71 HG3 GLU 71 17.707 -8.285 -1.114 579 H LYS 72 H LYS 72 14.296 -5.660 1.414 580 HA LYS 72 HA LYS 72 15.296 -4.881 4.130 581 HB2 LYS 72 HB2 LYS 72 14.144 -3.295 1.814 582 HB3 LYS 72 HB3 LYS 72 14.258 -2.702 3.477 583 HG2 LYS 72 HG2 LYS 72 16.831 -3.769 2.515 584 HG3 LYS 72 HG3 LYS 72 16.214 -2.439 1.533 585 HD2 LYS 72 HD2 LYS 72 16.506 -2.330 4.541 586 HD3 LYS 72 HD3 LYS 72 17.664 -1.641 3.391 587 HE2 LYS 72 HE2 LYS 72 16.273 0.109 2.786 588 HE3 LYS 72 HE3 LYS 72 14.813 -0.854 2.969 589 HZ1 LYS 72 HZ1 LYS 72 14.788 0.734 4.675 590 HZ2 LYS 72 HZ2 LYS 72 16.320 0.413 5.144 591 HZ3 LYS 72 HZ3 LYS 72 15.122 -0.694 5.393 592 H LYS 73 H LYS 73 13.857 -4.580 5.781 593 HA LYS 73 HA LYS 73 11.246 -5.769 5.477 594 HB2 LYS 73 HB2 LYS 73 12.870 -5.991 7.467 595 HB3 LYS 73 HB3 LYS 73 12.534 -4.312 7.851 596 HG2 LYS 73 HG2 LYS 73 10.423 -4.743 8.606 597 HG3 LYS 73 HG3 LYS 73 10.126 -6.058 7.485 598 HD2 LYS 73 HD2 LYS 73 11.192 -7.671 8.777 599 HD3 LYS 73 HD3 LYS 73 12.134 -6.500 9.707 600 HE2 LYS 73 HE2 LYS 73 9.107 -6.834 9.869 601 HE3 LYS 73 HE3 LYS 73 10.247 -7.542 10.988 602 HZ1 LYS 73 HZ1 LYS 73 9.302 -5.500 11.819 603 HZ2 LYS 73 HZ2 LYS 73 9.973 -4.612 10.594 604 HZ3 LYS 73 HZ3 LYS 73 10.930 -5.391 11.689 605 H ILE 74 H ILE 74 9.332 -4.653 6.038 606 HA ILE 74 HA ILE 74 9.362 -1.677 5.743 607 HB ILE 74 HB ILE 74 7.407 -1.690 4.407 608 HG12 ILE 74 HG12 ILE 74 7.509 -4.751 4.355 609 HG13 ILE 74 HG13 ILE 74 6.349 -3.806 5.286 610 HG21 ILE 74 HG21 ILE 74 9.453 -3.541 3.155 611 HG22 ILE 74 HG22 ILE 74 8.304 -2.499 2.292 612 HG23 ILE 74 HG23 ILE 74 9.556 -1.759 3.280 613 HD11 ILE 74 HD11 ILE 74 5.240 -4.514 3.320 614 HD12 ILE 74 HD12 ILE 74 5.539 -2.779 3.135 615 HD13 ILE 74 HD13 ILE 74 6.558 -3.968 2.279 616 H ASN 75 H ASN 75 7.194 -0.731 6.277 617 HA ASN 75 HA ASN 75 5.842 -2.066 8.536 618 HB2 ASN 75 HB2 ASN 75 5.623 0.363 9.442 619 HB3 ASN 75 HB3 ASN 75 7.060 -0.591 9.839 620 HD21 ASN 75 HD21 ASN 75 5.801 1.987 7.668 621 HD22 ASN 75 HD22 ASN 75 7.352 2.778 7.435 622 H VAL 76 H VAL 76 3.634 -1.503 8.693 623 HA VAL 76 HA VAL 76 2.514 0.170 6.520 624 HB VAL 76 HB VAL 76 1.796 -2.703 7.227 625 HG11 VAL 76 HG11 VAL 76 -0.295 -1.558 6.930 626 HG12 VAL 76 HG12 VAL 76 0.319 -0.670 5.503 627 HG13 VAL 76 HG13 VAL 76 0.021 -2.414 5.425 628 HG21 VAL 76 HG21 VAL 76 2.184 -3.261 4.942 629 HG22 VAL 76 HG22 VAL 76 2.550 -1.592 4.519 630 HG23 VAL 76 HG23 VAL 76 3.654 -2.517 5.572 631 H GLU 77 H GLU 77 0.760 1.406 7.285 632 HA GLU 77 HA GLU 77 -0.634 0.680 9.769 633 HB2 GLU 77 HB2 GLU 77 0.308 3.517 9.396 634 HB3 GLU 77 HB3 GLU 77 -0.293 2.768 10.855 635 HG2 GLU 77 HG2 GLU 77 2.418 2.470 9.556 636 HG3 GLU 77 HG3 GLU 77 2.064 3.425 10.951 637 H LEU 78 H LEU 78 -2.517 2.435 9.997 638 HA LEU 78 HA LEU 78 -3.805 2.824 7.375 639 HB2 LEU 78 HB2 LEU 78 -4.568 2.515 10.233 640 HB3 LEU 78 HB3 LEU 78 -5.359 3.887 9.526 641 HG LEU 78 HG LEU 78 -6.764 2.019 9.478 642 HD11 LEU 78 HD11 LEU 78 -7.478 2.011 7.157 643 HD12 LEU 78 HD12 LEU 78 -5.887 2.562 6.602 644 HD13 LEU 78 HD13 LEU 78 -6.916 3.632 7.580 645 HD21 LEU 78 HD21 LEU 78 -4.676 0.580 7.838 646 HD22 LEU 78 HD22 LEU 78 -6.331 -0.006 8.145 647 HD23 LEU 78 HD23 LEU 78 -5.182 0.210 9.489 648 H THR 79 H THR 79 -4.606 4.979 6.751 649 HA THR 79 HA THR 79 -4.013 7.228 8.443 650 HB THR 79 HB THR 79 -1.845 6.646 7.148 651 HG1 THR 79 HG1 THR 79 -1.648 8.483 8.053 652 HG21 THR 79 HG21 THR 79 -2.785 6.377 4.922 653 HG22 THR 79 HG22 THR 79 -1.476 7.568 5.001 654 HG23 THR 79 HG23 THR 79 -3.159 8.123 4.886 655 H VAL 80 H VAL 80 -5.219 9.016 7.787 656 HA VAL 80 HA VAL 80 -7.100 10.016 7.093 657 HB VAL 80 HB VAL 80 -6.118 9.006 4.413 658 HG11 VAL 80 HG11 VAL 80 -8.367 9.993 4.236 659 HG12 VAL 80 HG12 VAL 80 -7.839 11.414 5.156 660 HG13 VAL 80 HG13 VAL 80 -7.148 11.081 3.549 661 HG21 VAL 80 HG21 VAL 80 -4.919 11.170 4.255 662 HG22 VAL 80 HG22 VAL 80 -5.397 11.530 5.929 663 HG23 VAL 80 HG23 VAL 80 -4.294 10.178 5.572 664 H GLY 81 H GLY 81 -8.710 8.815 8.128 665 HA2 GLY 81 HA2 GLY 81 -10.985 8.139 7.441 666 HA3 GLY 81 HA3 GLY 81 -10.262 6.966 6.342 667 H GLY 82 H GLY 82 -8.190 6.676 8.794 668 HA2 GLY 82 HA2 GLY 82 -9.635 4.357 9.974 669 HA3 GLY 82 HA3 GLY 82 -7.921 4.806 10.224 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -12.637 11.503 2.244 2 HA2 GLY 1 HA2 GLY 1 -15.103 12.165 0.733 3 HA3 GLY 1 HA3 GLY 1 -13.622 11.542 -0.016 4 H ASN 2 H ASN 2 -14.082 9.495 -0.672 5 HA ASN 2 HA ASN 2 -15.058 7.554 1.347 6 HB2 ASN 2 HB2 ASN 2 -16.325 6.317 -0.382 7 HB3 ASN 2 HB3 ASN 2 -17.049 7.821 0.153 8 HD21 ASN 2 HD21 ASN 2 -14.743 6.775 -2.541 9 HD22 ASN 2 HD22 ASN 2 -15.590 7.674 -3.742 10 H ARG 3 H ARG 3 -12.464 8.027 1.058 11 HA ARG 3 HA ARG 3 -11.585 5.534 -0.190 12 HB2 ARG 3 HB2 ARG 3 -9.568 6.558 -1.129 13 HB3 ARG 3 HB3 ARG 3 -11.047 6.947 -1.999 14 HG2 ARG 3 HG2 ARG 3 -10.980 9.188 -1.305 15 HG3 ARG 3 HG3 ARG 3 -9.852 8.855 0.042 16 HD2 ARG 3 HD2 ARG 3 -8.020 8.529 -1.347 17 HD3 ARG 3 HD3 ARG 3 -9.006 8.191 -2.781 18 HE ARG 3 HE ARG 3 -8.230 10.800 -1.702 19 HH11 ARG 3 HH11 ARG 3 -10.595 9.225 -3.940 20 HH12 ARG 3 HH12 ARG 3 -10.453 10.554 -5.072 21 HH21 ARG 3 HH21 ARG 3 -8.305 12.576 -3.281 22 HH22 ARG 3 HH22 ARG 3 -9.277 12.344 -4.704 23 H PHE 4 H PHE 4 -9.579 4.825 0.602 24 HA PHE 4 HA PHE 4 -8.773 5.870 3.256 25 HB2 PHE 4 HB2 PHE 4 -9.392 3.039 2.320 26 HB3 PHE 4 HB3 PHE 4 -8.327 3.352 3.662 27 HD1 PHE 4 HD2 PHE 4 -11.862 4.129 2.556 28 HD2 PHE 4 HD1 PHE 4 -9.156 3.415 5.836 29 HE1 PHE 4 HE2 PHE 4 -13.765 4.023 4.101 30 HE2 PHE 4 HE1 PHE 4 -11.056 3.390 7.392 31 HZ PHE 4 HZ PHE 4 -13.380 3.631 6.523 32 H ILE 5 H ILE 5 -6.575 5.180 3.693 33 HA ILE 5 HA ILE 5 -4.838 4.926 1.317 34 HB ILE 5 HB ILE 5 -4.559 7.074 3.436 35 HG12 ILE 5 HG12 ILE 5 -4.745 7.772 0.521 36 HG13 ILE 5 HG13 ILE 5 -6.254 7.389 1.288 37 HG21 ILE 5 HG21 ILE 5 -2.632 7.905 2.012 38 HG22 ILE 5 HG22 ILE 5 -2.328 6.354 2.798 39 HG23 ILE 5 HG23 ILE 5 -2.745 6.411 1.070 40 HD11 ILE 5 HD11 ILE 5 -5.897 9.741 1.412 41 HD12 ILE 5 HD12 ILE 5 -5.868 9.053 3.036 42 HD13 ILE 5 HD13 ILE 5 -4.338 9.521 2.250 43 H VAL 6 H VAL 6 -3.229 3.552 1.589 44 HA VAL 6 HA VAL 6 -2.631 2.508 4.317 45 HB VAL 6 HB VAL 6 -2.129 1.300 1.564 46 HG11 VAL 6 HG11 VAL 6 -1.484 -0.736 2.815 47 HG12 VAL 6 HG12 VAL 6 -0.407 0.607 3.211 48 HG13 VAL 6 HG13 VAL 6 -1.694 0.143 4.345 49 HG21 VAL 6 HG21 VAL 6 -4.120 0.524 3.746 50 HG22 VAL 6 HG22 VAL 6 -4.524 1.246 2.177 51 HG23 VAL 6 HG23 VAL 6 -3.821 -0.374 2.247 52 H PHE 7 H PHE 7 -0.705 2.957 5.154 53 HA PHE 7 HA PHE 7 1.239 4.610 3.643 54 HB2 PHE 7 HB2 PHE 7 0.287 5.378 5.852 55 HB3 PHE 7 HB3 PHE 7 0.850 3.918 6.578 56 HD1 PHE 7 HD1 PHE 7 3.321 3.515 6.937 57 HD2 PHE 7 HD2 PHE 7 1.820 7.250 5.372 58 HE1 PHE 7 HE1 PHE 7 5.439 4.611 7.516 59 HE2 PHE 7 HE2 PHE 7 3.934 8.339 5.958 60 HZ PHE 7 HZ PHE 7 5.765 7.004 7.021 61 H VAL 8 H VAL 8 3.359 3.748 3.366 62 HA VAL 8 HA VAL 8 3.957 1.128 4.560 63 HB VAL 8 HB VAL 8 4.661 1.718 1.671 64 HG11 VAL 8 HG11 VAL 8 4.179 -0.965 3.002 65 HG12 VAL 8 HG12 VAL 8 4.986 -0.639 1.461 66 HG13 VAL 8 HG13 VAL 8 5.750 -0.185 3.000 67 HG21 VAL 8 HG21 VAL 8 2.251 1.861 1.586 68 HG22 VAL 8 HG22 VAL 8 2.760 0.309 0.914 69 HG23 VAL 8 HG23 VAL 8 2.075 0.387 2.552 70 H GLY 9 H GLY 9 6.213 1.189 5.341 71 HA2 GLY 9 HA2 GLY 9 7.941 3.242 4.131 72 HA3 GLY 9 HA3 GLY 9 7.696 3.442 5.822 73 H SER 10 H SER 10 10.160 3.142 5.345 74 HA SER 10 HA SER 10 12.085 2.095 5.729 75 HB2 SER 10 HB2 SER 10 10.170 0.169 6.865 76 HB3 SER 10 HB3 SER 10 11.548 -0.626 6.203 77 HG SER 10 HG SER 10 12.087 -0.009 8.292 78 H LEU 11 H LEU 11 10.490 2.014 3.098 79 HA LEU 11 HA LEU 11 11.191 -0.263 1.626 80 HB2 LEU 11 HB2 LEU 11 10.472 2.568 0.836 81 HB3 LEU 11 HB3 LEU 11 10.920 1.395 -0.379 82 HG LEU 11 HG LEU 11 9.101 -0.073 0.145 83 HD11 LEU 11 HD11 LEU 11 7.295 0.706 1.784 84 HD12 LEU 11 HD12 LEU 11 8.403 1.950 2.365 85 HD13 LEU 11 HD13 LEU 11 8.778 0.232 2.593 86 HD21 LEU 11 HD21 LEU 11 8.618 1.707 -1.385 87 HD22 LEU 11 HD22 LEU 11 8.210 2.822 -0.061 88 HD23 LEU 11 HD23 LEU 11 7.191 1.394 -0.412 89 HA PRO 12 HA PRO 12 15.456 0.208 0.612 90 HB2 PRO 12 HB2 PRO 12 15.305 -0.907 -2.046 91 HB3 PRO 12 HB3 PRO 12 15.739 -1.752 -0.557 92 HG2 PRO 12 HG2 PRO 12 13.243 -1.849 -2.093 93 HG3 PRO 12 HG3 PRO 12 13.766 -2.892 -0.738 94 HD2 PRO 12 HD2 PRO 12 11.787 -0.846 -0.648 95 HD3 PRO 12 HD3 PRO 12 12.471 -1.767 0.714 96 H ARG 13 H ARG 13 16.907 1.183 -0.995 97 HA ARG 13 HA ARG 13 15.808 3.624 -2.145 98 HB2 ARG 13 HB2 ARG 13 18.437 2.546 -1.505 99 HB3 ARG 13 HB3 ARG 13 18.442 3.278 -3.097 100 HG2 ARG 13 HG2 ARG 13 19.066 4.937 -1.526 101 HG3 ARG 13 HG3 ARG 13 17.460 5.349 -2.140 102 HD2 ARG 13 HD2 ARG 13 16.431 4.449 -0.061 103 HD3 ARG 13 HD3 ARG 13 18.049 4.005 0.535 104 HE ARG 13 HE ARG 13 17.873 6.776 -0.265 105 HH11 ARG 13 HH11 ARG 13 16.660 4.774 2.445 106 HH12 ARG 13 HH12 ARG 13 16.901 6.063 3.578 107 HH21 ARG 13 HH21 ARG 13 18.276 8.367 1.311 108 HH22 ARG 13 HH22 ARG 13 17.727 8.080 2.933 109 H ASP 14 H ASP 14 16.671 0.457 -3.374 110 HA ASP 14 HA ASP 14 16.522 1.309 -6.182 111 HB2 ASP 14 HB2 ASP 14 17.945 -0.665 -4.850 112 HB3 ASP 14 HB3 ASP 14 16.682 -1.545 -5.681 113 H ILE 15 H ILE 15 14.117 1.174 -4.201 114 HA ILE 15 HA ILE 15 12.347 -0.824 -5.099 115 HB ILE 15 HB ILE 15 12.223 0.418 -2.981 116 HG12 ILE 15 HG12 ILE 15 9.709 0.864 -3.052 117 HG13 ILE 15 HG13 ILE 15 9.783 0.371 -4.770 118 HG21 ILE 15 HG21 ILE 15 11.372 2.650 -2.832 119 HG22 ILE 15 HG22 ILE 15 12.769 2.689 -3.900 120 HG23 ILE 15 HG23 ILE 15 11.153 2.731 -4.607 121 HD11 ILE 15 HD11 ILE 15 10.520 -1.832 -4.147 122 HD12 ILE 15 HD12 ILE 15 10.731 -1.334 -2.441 123 HD13 ILE 15 HD13 ILE 15 9.130 -1.416 -3.129 124 H THR 16 H THR 16 10.815 -0.934 -6.786 125 HA THR 16 HA THR 16 10.612 1.321 -8.686 126 HB THR 16 HB THR 16 10.467 -0.604 -10.372 127 HG1 THR 16 HG1 THR 16 12.255 -2.104 -9.063 128 HG21 THR 16 HG21 THR 16 12.917 -0.613 -10.708 129 HG22 THR 16 HG22 THR 16 13.141 0.139 -9.109 130 HG23 THR 16 HG23 THR 16 12.287 1.006 -10.396 131 H ALA 17 H ALA 17 8.669 1.275 -9.973 132 HA ALA 17 HA ALA 17 6.344 0.883 -8.320 133 HB1 ALA 17 HB1 ALA 17 6.630 1.494 -11.294 134 HB2 ALA 17 HB2 ALA 17 5.119 1.560 -10.366 135 HB3 ALA 17 HB3 ALA 17 6.442 2.675 -9.975 136 H VAL 18 H VAL 18 8.000 -1.027 -10.762 137 HA VAL 18 HA VAL 18 5.833 -2.853 -11.287 138 HB VAL 18 HB VAL 18 7.457 -2.714 -12.934 139 HG11 VAL 18 HG11 VAL 18 9.359 -1.768 -11.795 140 HG12 VAL 18 HG12 VAL 18 9.667 -3.296 -10.927 141 HG13 VAL 18 HG13 VAL 18 9.855 -3.171 -12.695 142 HG21 VAL 18 HG21 VAL 18 8.193 -5.318 -11.547 143 HG22 VAL 18 HG22 VAL 18 6.714 -5.058 -12.513 144 HG23 VAL 18 HG23 VAL 18 8.303 -4.949 -13.275 145 H GLU 19 H GLU 19 8.328 -2.746 -8.750 146 HA GLU 19 HA GLU 19 7.743 -5.416 -7.770 147 HB2 GLU 19 HB2 GLU 19 9.169 -2.980 -6.627 148 HB3 GLU 19 HB3 GLU 19 9.023 -4.499 -5.753 149 HG2 GLU 19 HG2 GLU 19 10.113 -4.588 -8.593 150 HG3 GLU 19 HG3 GLU 19 11.111 -3.922 -7.312 151 H LEU 20 H LEU 20 6.861 -2.046 -6.843 152 HA LEU 20 HA LEU 20 5.159 -2.595 -4.688 153 HB2 LEU 20 HB2 LEU 20 5.850 -0.380 -6.506 154 HB3 LEU 20 HB3 LEU 20 4.158 -0.343 -6.128 155 HG LEU 20 HG LEU 20 4.573 -0.085 -3.764 156 HD11 LEU 20 HD11 LEU 20 6.463 -1.568 -3.337 157 HD12 LEU 20 HD12 LEU 20 6.958 0.062 -2.897 158 HD13 LEU 20 HD13 LEU 20 7.485 -0.632 -4.455 159 HD21 LEU 20 HD21 LEU 20 6.628 1.580 -5.307 160 HD22 LEU 20 HD22 LEU 20 5.862 2.009 -3.757 161 HD23 LEU 20 HD23 LEU 20 4.899 1.934 -5.235 162 H GLN 21 H GLN 21 4.333 -2.369 -8.192 163 HA GLN 21 HA GLN 21 1.571 -2.768 -7.836 164 HB2 GLN 21 HB2 GLN 21 3.496 -3.153 -10.138 165 HB3 GLN 21 HB3 GLN 21 1.821 -3.652 -10.326 166 HG2 GLN 21 HG2 GLN 21 2.557 -0.839 -9.440 167 HG3 GLN 21 HG3 GLN 21 2.454 -1.301 -11.130 168 HE21 GLN 21 HE21 GLN 21 0.511 -0.474 -11.966 169 HE22 GLN 21 HE22 GLN 21 -1.005 -0.459 -11.084 170 H ASN 22 H ASN 22 4.247 -5.083 -8.074 171 HA ASN 22 HA ASN 22 2.459 -7.396 -8.240 172 HB2 ASN 22 HB2 ASN 22 4.369 -8.391 -8.883 173 HB3 ASN 22 HB3 ASN 22 5.295 -6.942 -8.541 174 HD21 ASN 22 HD21 ASN 22 6.265 -6.722 -6.310 175 HD22 ASN 22 HD22 ASN 22 6.568 -8.162 -5.367 176 H HIS 23 H HIS 23 3.976 -5.551 -5.611 177 HA HIS 23 HA HIS 23 3.546 -7.519 -3.572 178 HB2 HIS 23 HB2 HIS 23 5.004 -5.284 -3.663 179 HB3 HIS 23 HB3 HIS 23 3.577 -4.576 -2.915 180 HD2 HIS 23 HD2 HIS 23 2.846 -5.728 -0.462 181 HE1 HIS 23 HE1 HIS 23 6.542 -7.770 0.132 182 HE2 HIS 23 HE2 HIS 23 4.407 -7.081 1.240 183 H PHE 24 H PHE 24 1.714 -4.588 -4.516 184 HA PHE 24 HA PHE 24 -0.594 -5.435 -2.888 185 HB2 PHE 24 HB2 PHE 24 -0.022 -2.884 -4.386 186 HB3 PHE 24 HB3 PHE 24 -1.425 -3.199 -3.361 187 HD1 PHE 24 HD2 PHE 24 -1.155 -3.633 -0.892 188 HD2 PHE 24 HD1 PHE 24 2.134 -2.358 -3.368 189 HE1 PHE 24 HE2 PHE 24 0.152 -3.062 1.142 190 HE2 PHE 24 HE1 PHE 24 3.436 -1.780 -1.334 191 HZ PHE 24 HZ PHE 24 2.468 -2.152 0.911 192 H LYS 25 H LYS 25 0.320 -6.604 -5.749 193 HA LYS 25 HA LYS 25 -1.741 -6.197 -7.528 194 HB2 LYS 25 HB2 LYS 25 0.475 -7.865 -7.292 195 HB3 LYS 25 HB3 LYS 25 -0.795 -9.019 -7.276 196 HG2 LYS 25 HG2 LYS 25 0.066 -7.094 -9.395 197 HG3 LYS 25 HG3 LYS 25 0.033 -8.817 -9.459 198 HD2 LYS 25 HD2 LYS 25 -2.525 -7.129 -9.418 199 HD3 LYS 25 HD3 LYS 25 -1.625 -7.491 -10.866 200 HE2 LYS 25 HE2 LYS 25 -3.322 -9.019 -10.917 201 HE3 LYS 25 HE3 LYS 25 -1.916 -9.951 -10.444 202 HZ1 LYS 25 HZ1 LYS 25 -3.682 -8.915 -8.349 203 HZ2 LYS 25 HZ2 LYS 25 -2.856 -10.364 -8.410 204 HZ3 LYS 25 HZ3 LYS 25 -4.225 -10.143 -9.265 205 H ASN 26 H ASN 26 -1.712 -8.265 -4.618 206 HA ASN 26 HA ASN 26 -4.303 -9.469 -5.235 207 HB2 ASN 26 HB2 ASN 26 -2.426 -10.649 -4.064 208 HB3 ASN 26 HB3 ASN 26 -2.721 -9.629 -2.642 209 HD21 ASN 26 HD21 ASN 26 -3.677 -11.250 -1.158 210 HD22 ASN 26 HD22 ASN 26 -5.197 -12.000 -1.636 211 H SER 27 H SER 27 -3.444 -6.406 -3.900 212 HA SER 27 HA SER 27 -6.011 -6.248 -2.405 213 HB2 SER 27 HB2 SER 27 -4.700 -4.159 -1.455 214 HB3 SER 27 HB3 SER 27 -4.595 -5.759 -0.760 215 HG SER 27 HG SER 27 -2.609 -6.093 -1.682 216 H SER 28 H SER 28 -4.514 -5.344 -5.279 217 HA SER 28 HA SER 28 -4.994 -3.933 -6.979 218 HB2 SER 28 HB2 SER 28 -6.994 -5.514 -6.735 219 HB3 SER 28 HB3 SER 28 -7.875 -4.150 -6.064 220 HG SER 28 HG SER 28 -6.681 -4.427 -8.646 221 HA PRO 29 HA PRO 29 -5.399 -0.106 -4.212 222 HB2 PRO 29 HB2 PRO 29 -3.032 1.099 -5.021 223 HB3 PRO 29 HB3 PRO 29 -3.191 -0.016 -3.626 224 HG2 PRO 29 HG2 PRO 29 -2.400 -0.701 -6.486 225 HG3 PRO 29 HG3 PRO 29 -1.532 -1.163 -4.989 226 HD2 PRO 29 HD2 PRO 29 -3.186 -2.905 -6.144 227 HD3 PRO 29 HD3 PRO 29 -3.291 -2.685 -4.371 228 H ASP 30 H ASP 30 -5.664 2.147 -4.936 229 HA ASP 30 HA ASP 30 -6.603 2.250 -7.715 230 HB2 ASP 30 HB2 ASP 30 -7.922 2.926 -5.502 231 HB3 ASP 30 HB3 ASP 30 -7.071 4.470 -5.742 232 H GLN 31 H GLN 31 -4.373 3.805 -5.422 233 HA GLN 31 HA GLN 31 -2.932 4.950 -7.721 234 HB2 GLN 31 HB2 GLN 31 -4.424 6.676 -6.425 235 HB3 GLN 31 HB3 GLN 31 -3.280 6.453 -5.109 236 HG2 GLN 31 HG2 GLN 31 -1.436 7.132 -6.770 237 HG3 GLN 31 HG3 GLN 31 -2.731 7.586 -7.870 238 HE21 GLN 31 HE21 GLN 31 -4.384 9.215 -6.864 239 HE22 GLN 31 HE22 GLN 31 -3.714 10.433 -5.784 240 H ILE 32 H ILE 32 -0.629 5.254 -7.305 241 HA ILE 32 HA ILE 32 0.511 4.009 -4.906 242 HB ILE 32 HB ILE 32 0.949 3.187 -7.811 243 HG12 ILE 32 HG12 ILE 32 0.424 1.584 -5.256 244 HG13 ILE 32 HG13 ILE 32 -0.779 1.958 -6.482 245 HG21 ILE 32 HG21 ILE 32 3.202 3.606 -6.791 246 HG22 ILE 32 HG22 ILE 32 2.772 2.485 -5.482 247 HG23 ILE 32 HG23 ILE 32 2.940 1.914 -7.159 248 HD11 ILE 32 HD11 ILE 32 0.598 0.717 -8.165 249 HD12 ILE 32 HD12 ILE 32 1.618 0.134 -6.821 250 HD13 ILE 32 HD13 ILE 32 -0.095 -0.275 -6.863 251 H ARG 33 H ARG 33 2.085 5.400 -4.175 252 HA ARG 33 HA ARG 33 3.494 7.149 -6.059 253 HB2 ARG 33 HB2 ARG 33 1.293 8.107 -4.546 254 HB3 ARG 33 HB3 ARG 33 2.719 8.675 -3.673 255 HG2 ARG 33 HG2 ARG 33 3.605 9.690 -5.719 256 HG3 ARG 33 HG3 ARG 33 2.266 9.006 -6.675 257 HD2 ARG 33 HD2 ARG 33 0.658 10.270 -5.225 258 HD3 ARG 33 HD3 ARG 33 2.032 11.037 -4.425 259 HE ARG 33 HE ARG 33 2.705 11.986 -6.572 260 HH11 ARG 33 HH11 ARG 33 -0.692 10.828 -6.421 261 HH12 ARG 33 HH12 ARG 33 -1.286 12.142 -7.396 262 HH21 ARG 33 HH21 ARG 33 1.925 13.463 -8.139 263 HH22 ARG 33 HH22 ARG 33 0.237 13.552 -8.513 264 H LEU 34 H LEU 34 5.475 6.362 -5.710 265 HA LEU 34 HA LEU 34 6.331 5.505 -3.019 266 HB2 LEU 34 HB2 LEU 34 6.752 4.076 -4.970 267 HB3 LEU 34 HB3 LEU 34 7.681 5.339 -5.748 268 HG LEU 34 HG LEU 34 8.873 3.301 -4.525 269 HD11 LEU 34 HD11 LEU 34 10.278 4.969 -5.453 270 HD12 LEU 34 HD12 LEU 34 10.776 4.897 -3.774 271 HD13 LEU 34 HD13 LEU 34 9.756 6.226 -4.337 272 HD21 LEU 34 HD21 LEU 34 9.441 3.580 -2.259 273 HD22 LEU 34 HD22 LEU 34 7.678 3.693 -2.366 274 HD23 LEU 34 HD23 LEU 34 8.682 5.152 -2.145 275 H ARG 35 H ARG 35 7.318 6.938 -1.671 276 HA ARG 35 HA ARG 35 8.653 9.342 -2.818 277 HB2 ARG 35 HB2 ARG 35 7.078 8.861 -0.266 278 HB3 ARG 35 HB3 ARG 35 8.247 10.175 -0.387 279 HG2 ARG 35 HG2 ARG 35 5.881 9.834 -2.290 280 HG3 ARG 35 HG3 ARG 35 5.902 10.876 -0.855 281 HD2 ARG 35 HD2 ARG 35 7.910 12.052 -1.777 282 HD3 ARG 35 HD3 ARG 35 7.696 11.136 -3.292 283 HE ARG 35 HE ARG 35 5.244 12.417 -2.701 284 HH11 ARG 35 HH11 ARG 35 8.580 13.382 -3.563 285 HH12 ARG 35 HH12 ARG 35 8.114 15.024 -3.889 286 HH21 ARG 35 HH21 ARG 35 4.638 14.274 -3.697 287 HH22 ARG 35 HH22 ARG 35 5.803 15.457 -4.270 288 H ALA 36 H ALA 36 10.491 8.095 -3.284 289 HA ALA 36 HA ALA 36 11.904 6.454 -1.505 290 HB1 ALA 36 HB1 ALA 36 12.400 6.612 -3.926 291 HB2 ALA 36 HB2 ALA 36 13.018 8.261 -3.695 292 HB3 ALA 36 HB3 ALA 36 13.844 6.883 -2.940 293 H ASP 37 H ASP 37 11.763 9.949 -1.697 294 HA ASP 37 HA ASP 37 13.895 10.960 -0.378 295 HB2 ASP 37 HB2 ASP 37 10.940 11.698 -0.146 296 HB3 ASP 37 HB3 ASP 37 12.242 12.687 0.502 297 H LYS 38 H LYS 38 11.299 9.109 1.069 298 HA LYS 38 HA LYS 38 12.637 9.237 3.706 299 HB2 LYS 38 HB2 LYS 38 9.725 9.792 3.217 300 HB3 LYS 38 HB3 LYS 38 10.352 9.301 4.804 301 HG2 LYS 38 HG2 LYS 38 11.900 11.262 4.737 302 HG3 LYS 38 HG3 LYS 38 11.139 11.786 3.230 303 HD2 LYS 38 HD2 LYS 38 8.935 11.920 4.401 304 HD3 LYS 38 HD3 LYS 38 9.726 11.495 5.924 305 HE2 LYS 38 HE2 LYS 38 10.544 13.872 4.188 306 HE3 LYS 38 HE3 LYS 38 9.347 14.004 5.483 307 HZ1 LYS 38 HZ1 LYS 38 10.992 13.436 7.073 308 HZ2 LYS 38 HZ2 LYS 38 11.635 14.600 6.130 309 HZ3 LYS 38 HZ3 LYS 38 12.113 13.043 5.951 310 H GLY 39 H GLY 39 12.043 7.289 1.213 311 HA2 GLY 39 HA2 GLY 39 11.845 5.029 0.932 312 HA3 GLY 39 HA3 GLY 39 12.324 4.864 2.632 313 H ILE 40 H ILE 40 9.365 6.418 1.239 314 HA ILE 40 HA ILE 40 7.690 4.351 2.492 315 HB ILE 40 HB ILE 40 6.168 6.413 3.041 316 HG12 ILE 40 HG12 ILE 40 8.745 7.818 3.276 317 HG13 ILE 40 HG13 ILE 40 7.903 7.903 1.715 318 HG21 ILE 40 HG21 ILE 40 7.444 6.896 5.231 319 HG22 ILE 40 HG22 ILE 40 6.922 5.260 4.922 320 HG23 ILE 40 HG23 ILE 40 8.635 5.713 4.664 321 HD11 ILE 40 HD11 ILE 40 6.778 8.870 4.344 322 HD12 ILE 40 HD12 ILE 40 7.350 9.876 2.992 323 HD13 ILE 40 HD13 ILE 40 5.916 8.862 2.785 324 H ALA 41 H ALA 41 5.393 4.550 1.762 325 HA ALA 41 HA ALA 41 5.058 5.717 -0.915 326 HB1 ALA 41 HB1 ALA 41 4.478 3.669 -1.952 327 HB2 ALA 41 HB2 ALA 41 5.925 3.276 -1.048 328 HB3 ALA 41 HB3 ALA 41 4.341 2.806 -0.400 329 H PHE 42 H PHE 42 2.838 5.919 -1.496 330 HA PHE 42 HA PHE 42 0.855 5.659 0.743 331 HB2 PHE 42 HB2 PHE 42 1.082 7.865 -1.355 332 HB3 PHE 42 HB3 PHE 42 -0.196 7.704 -0.179 333 HD1 PHE 42 HD2 PHE 42 0.278 8.070 2.267 334 HD2 PHE 42 HD1 PHE 42 3.219 8.866 -0.788 335 HE1 PHE 42 HE2 PHE 42 1.533 9.524 3.847 336 HE2 PHE 42 HE1 PHE 42 4.480 10.295 0.819 337 HZ PHE 42 HZ PHE 42 3.608 10.664 3.108 338 H LEU 43 H LEU 43 -0.810 4.345 0.176 339 HA LEU 43 HA LEU 43 -1.371 3.975 -2.729 340 HB2 LEU 43 HB2 LEU 43 -1.411 1.904 -0.506 341 HB3 LEU 43 HB3 LEU 43 -2.153 1.704 -2.098 342 HG LEU 43 HG LEU 43 0.277 2.354 -2.965 343 HD11 LEU 43 HD11 LEU 43 2.042 1.300 -1.531 344 HD12 LEU 43 HD12 LEU 43 0.827 1.030 -0.277 345 HD13 LEU 43 HD13 LEU 43 1.300 2.679 -0.695 346 HD21 LEU 43 HD21 LEU 43 -0.866 0.314 -3.511 347 HD22 LEU 43 HD22 LEU 43 -0.466 -0.392 -1.929 348 HD23 LEU 43 HD23 LEU 43 0.815 -0.036 -3.116 349 H GLU 44 H GLU 44 -3.296 4.815 -3.199 350 HA GLU 44 HA GLU 44 -5.274 5.246 -1.008 351 HB2 GLU 44 HB2 GLU 44 -5.476 6.139 -3.914 352 HB3 GLU 44 HB3 GLU 44 -6.471 6.631 -2.539 353 HG2 GLU 44 HG2 GLU 44 -4.203 7.483 -1.512 354 HG3 GLU 44 HG3 GLU 44 -3.600 7.374 -3.149 355 H PHE 45 H PHE 45 -7.391 4.370 -1.178 356 HA PHE 45 HA PHE 45 -7.915 2.281 -3.245 357 HB2 PHE 45 HB2 PHE 45 -8.214 2.206 -0.197 358 HB3 PHE 45 HB3 PHE 45 -8.967 1.050 -1.266 359 HD1 PHE 45 HD2 PHE 45 -5.517 2.361 -0.348 360 HD2 PHE 45 HD1 PHE 45 -7.930 -0.922 -1.636 361 HE1 PHE 45 HE2 PHE 45 -3.542 0.893 -0.285 362 HE2 PHE 45 HE1 PHE 45 -5.948 -2.409 -1.632 363 HZ PHE 45 HZ PHE 45 -3.732 -1.516 -0.914 364 H ASP 46 H ASP 46 -10.105 2.529 -4.051 365 HA ASP 46 HA ASP 46 -11.698 4.728 -2.824 366 HB2 ASP 46 HB2 ASP 46 -11.298 4.848 -5.213 367 HB3 ASP 46 HB3 ASP 46 -12.097 3.286 -5.442 368 H ALA 47 H ALA 47 -13.070 4.235 -1.250 369 HA ALA 47 HA ALA 47 -14.007 1.620 -0.663 370 HB1 ALA 47 HB1 ALA 47 -13.759 3.441 1.044 371 HB2 ALA 47 HB2 ALA 47 -15.177 4.239 0.313 372 HB3 ALA 47 HB3 ALA 47 -15.335 2.641 1.054 373 H ASP 48 H ASP 48 -15.225 4.183 -2.721 374 HA ASP 48 HA ASP 48 -17.957 3.228 -2.773 375 HB2 ASP 48 HB2 ASP 48 -17.374 5.534 -3.215 376 HB3 ASP 48 HB3 ASP 48 -16.419 5.085 -4.619 377 H LYS 49 H LYS 49 -14.993 2.544 -4.689 378 HA LYS 49 HA LYS 49 -16.258 1.163 -6.788 379 HB2 LYS 49 HB2 LYS 49 -13.791 1.972 -6.417 380 HB3 LYS 49 HB3 LYS 49 -13.530 0.365 -5.714 381 HG2 LYS 49 HG2 LYS 49 -14.257 -0.653 -7.868 382 HG3 LYS 49 HG3 LYS 49 -14.677 0.959 -8.463 383 HD2 LYS 49 HD2 LYS 49 -12.184 1.569 -8.126 384 HD3 LYS 49 HD3 LYS 49 -11.913 -0.152 -7.828 385 HE2 LYS 49 HE2 LYS 49 -11.385 0.015 -10.073 386 HE3 LYS 49 HE3 LYS 49 -13.074 -0.511 -10.146 387 HZ1 LYS 49 HZ1 LYS 49 -12.699 1.280 -11.654 388 HZ2 LYS 49 HZ2 LYS 49 -12.045 2.252 -10.515 389 HZ3 LYS 49 HZ3 LYS 49 -13.640 1.903 -10.448 390 H ASP 50 H ASP 50 -15.822 0.083 -3.481 391 HA ASP 50 HA ASP 50 -17.246 -2.372 -4.058 392 HB2 ASP 50 HB2 ASP 50 -14.548 -2.679 -4.385 393 HB3 ASP 50 HB3 ASP 50 -14.643 -2.997 -2.674 394 H ARG 51 H ARG 51 -18.765 -1.763 -2.571 395 HA ARG 51 HA ARG 51 -18.289 -0.339 -0.207 396 HB2 ARG 51 HB2 ARG 51 -20.539 -1.172 -1.569 397 HB3 ARG 51 HB3 ARG 51 -20.601 -2.287 -0.222 398 HG2 ARG 51 HG2 ARG 51 -21.635 -0.642 0.930 399 HG3 ARG 51 HG3 ARG 51 -20.059 0.148 1.044 400 HD2 ARG 51 HD2 ARG 51 -20.592 1.150 -1.294 401 HD3 ARG 51 HD3 ARG 51 -22.260 0.630 -0.998 402 HE ARG 51 HE ARG 51 -20.866 2.886 0.077 403 HH11 ARG 51 HH11 ARG 51 -23.564 0.657 0.914 404 HH12 ARG 51 HH12 ARG 51 -24.251 1.775 2.045 405 HH21 ARG 51 HH21 ARG 51 -21.897 4.350 1.244 406 HH22 ARG 51 HH22 ARG 51 -23.449 4.045 1.990 407 H THR 52 H THR 52 -18.824 -3.918 -0.505 408 HA THR 52 HA THR 52 -17.953 -4.304 2.251 409 HB THR 52 HB THR 52 -18.478 -6.767 1.326 410 HG1 THR 52 HG1 THR 52 -19.791 -6.748 -0.437 411 HG21 THR 52 HG21 THR 52 -20.649 -4.662 1.799 412 HG22 THR 52 HG22 THR 52 -19.836 -5.636 3.042 413 HG23 THR 52 HG23 THR 52 -20.883 -6.421 1.857 414 H GLY 53 H GLY 53 -16.576 -4.410 -0.996 415 HA2 GLY 53 HA2 GLY 53 -14.489 -6.278 -0.306 416 HA3 GLY 53 HA3 GLY 53 -14.593 -5.319 -1.768 417 H ILE 54 H ILE 54 -14.769 -2.714 0.077 418 HA ILE 54 HA ILE 54 -12.048 -2.154 -0.070 419 HB ILE 54 HB ILE 54 -13.728 -0.382 0.140 420 HG12 ILE 54 HG12 ILE 54 -12.501 1.134 1.602 421 HG13 ILE 54 HG13 ILE 54 -11.695 -0.208 2.398 422 HG21 ILE 54 HG21 ILE 54 -13.981 -1.010 3.082 423 HG22 ILE 54 HG22 ILE 54 -14.760 0.291 2.176 424 HG23 ILE 54 HG23 ILE 54 -15.186 -1.390 1.832 425 HD11 ILE 54 HD11 ILE 54 -10.474 -0.775 0.333 426 HD12 ILE 54 HD12 ILE 54 -11.311 0.551 -0.518 427 HD13 ILE 54 HD13 ILE 54 -10.197 0.879 0.840 428 H GLN 55 H GLN 55 -13.919 -3.449 2.614 429 HA GLN 55 HA GLN 55 -12.042 -3.453 4.667 430 HB2 GLN 55 HB2 GLN 55 -14.406 -3.960 4.908 431 HB3 GLN 55 HB3 GLN 55 -14.271 -5.402 3.915 432 HG2 GLN 55 HG2 GLN 55 -12.768 -5.093 6.544 433 HG3 GLN 55 HG3 GLN 55 -14.417 -5.716 6.433 434 HE21 GLN 55 HE21 GLN 55 -11.050 -6.542 6.004 435 HE22 GLN 55 HE22 GLN 55 -11.367 -8.200 5.546 436 H ARG 56 H ARG 56 -12.691 -6.127 2.329 437 HA ARG 56 HA ARG 56 -10.485 -7.720 3.031 438 HB2 ARG 56 HB2 ARG 56 -12.560 -7.774 1.012 439 HB3 ARG 56 HB3 ARG 56 -11.028 -7.954 0.168 440 HG2 ARG 56 HG2 ARG 56 -11.788 -10.151 0.740 441 HG3 ARG 56 HG3 ARG 56 -10.402 -9.789 1.786 442 HD2 ARG 56 HD2 ARG 56 -12.044 -9.094 3.593 443 HD3 ARG 56 HD3 ARG 56 -13.357 -9.582 2.506 444 HE ARG 56 HE ARG 56 -11.267 -11.566 3.122 445 HH11 ARG 56 HH11 ARG 56 -14.454 -10.317 4.039 446 HH12 ARG 56 HH12 ARG 56 -15.072 -11.856 4.568 447 HH21 ARG 56 HH21 ARG 56 -11.923 -13.477 4.200 448 HH22 ARG 56 HH22 ARG 56 -13.489 -13.605 4.911 449 H ARG 57 H ARG 57 -10.677 -5.204 0.490 450 HA ARG 57 HA ARG 57 -8.058 -5.526 -0.519 451 HB2 ARG 57 HB2 ARG 57 -9.733 -3.002 -0.276 452 HB3 ARG 57 HB3 ARG 57 -8.282 -3.173 -1.257 453 HG2 ARG 57 HG2 ARG 57 -9.295 -4.477 -2.874 454 HG3 ARG 57 HG3 ARG 57 -10.543 -5.093 -1.808 455 HD2 ARG 57 HD2 ARG 57 -11.995 -3.418 -2.280 456 HD3 ARG 57 HD3 ARG 57 -10.749 -2.185 -2.123 457 HE ARG 57 HE ARG 57 -10.693 -3.793 -4.591 458 HH11 ARG 57 HH11 ARG 57 -11.870 -0.731 -3.192 459 HH12 ARG 57 HH12 ARG 57 -11.255 0.246 -4.504 460 HH21 ARG 57 HH21 ARG 57 -10.233 -2.424 -6.498 461 HH22 ARG 57 HH22 ARG 57 -10.401 -0.704 -6.306 462 H MET 58 H MET 58 -9.179 -3.668 2.378 463 HA MET 58 HA MET 58 -6.547 -2.665 3.022 464 HB2 MET 58 HB2 MET 58 -9.283 -2.618 4.257 465 HB3 MET 58 HB3 MET 58 -7.944 -2.650 5.404 466 HG2 MET 58 HG2 MET 58 -6.883 -0.753 4.180 467 HG3 MET 58 HG3 MET 58 -8.356 -0.607 3.215 468 HE1 MET 58 HE1 MET 58 -10.760 -0.724 4.660 469 HE2 MET 58 HE2 MET 58 -10.962 0.832 5.513 470 HE3 MET 58 HE3 MET 58 -10.286 0.834 3.878 471 H ASP 59 H ASP 59 -8.471 -5.453 4.179 472 HA ASP 59 HA ASP 59 -6.842 -6.397 6.234 473 HB2 ASP 59 HB2 ASP 59 -9.020 -7.241 4.745 474 HB3 ASP 59 HB3 ASP 59 -7.903 -8.539 4.486 475 H ILE 60 H ILE 60 -6.782 -7.161 2.788 476 HA ILE 60 HA ILE 60 -4.553 -8.946 2.784 477 HB ILE 60 HB ILE 60 -5.941 -7.309 0.620 478 HG12 ILE 60 HG12 ILE 60 -6.059 -10.338 1.078 479 HG13 ILE 60 HG13 ILE 60 -7.134 -9.267 1.958 480 HG21 ILE 60 HG21 ILE 60 -3.823 -9.468 0.343 481 HG22 ILE 60 HG22 ILE 60 -4.851 -8.916 -0.984 482 HG23 ILE 60 HG23 ILE 60 -3.719 -7.797 -0.223 483 HD11 ILE 60 HD11 ILE 60 -8.335 -10.064 0.079 484 HD12 ILE 60 HD12 ILE 60 -8.001 -8.347 -0.193 485 HD13 ILE 60 HD13 ILE 60 -7.047 -9.582 -1.045 486 H ALA 61 H ALA 61 -4.849 -5.393 2.362 487 HA ALA 61 HA ALA 61 -2.078 -5.052 1.643 488 HB1 ALA 61 HB1 ALA 61 -3.828 -3.399 1.048 489 HB2 ALA 61 HB2 ALA 61 -4.060 -3.030 2.777 490 HB3 ALA 61 HB3 ALA 61 -2.509 -2.679 1.992 491 H LEU 62 H LEU 62 -3.953 -4.993 4.754 492 HA LEU 62 HA LEU 62 -1.757 -4.053 6.351 493 HB2 LEU 62 HB2 LEU 62 -4.377 -5.476 6.868 494 HB3 LEU 62 HB3 LEU 62 -3.217 -5.345 8.180 495 HG LEU 62 HG LEU 62 -4.103 -2.894 6.601 496 HD11 LEU 62 HD11 LEU 62 -6.103 -3.957 7.576 497 HD12 LEU 62 HD12 LEU 62 -5.729 -2.427 8.375 498 HD13 LEU 62 HD13 LEU 62 -5.334 -3.973 9.171 499 HD21 LEU 62 HD21 LEU 62 -2.800 -3.308 9.335 500 HD22 LEU 62 HD22 LEU 62 -3.369 -1.736 8.719 501 HD23 LEU 62 HD23 LEU 62 -2.057 -2.576 7.913 502 H LEU 63 H LEU 63 -2.674 -7.226 5.196 503 HA LEU 63 HA LEU 63 -0.871 -8.667 6.892 504 HB2 LEU 63 HB2 LEU 63 -2.361 -9.281 4.317 505 HB3 LEU 63 HB3 LEU 63 -1.252 -10.465 4.966 506 HG LEU 63 HG LEU 63 -3.446 -9.287 6.719 507 HD11 LEU 63 HD11 LEU 63 -4.804 -11.288 6.115 508 HD12 LEU 63 HD12 LEU 63 -3.621 -11.671 4.834 509 HD13 LEU 63 HD13 LEU 63 -4.571 -10.172 4.766 510 HD21 LEU 63 HD21 LEU 63 -1.868 -11.898 6.797 511 HD22 LEU 63 HD22 LEU 63 -3.145 -11.426 7.935 512 HD23 LEU 63 HD23 LEU 63 -1.647 -10.509 7.881 513 H GLN 64 H GLN 64 -0.057 -6.465 4.513 514 HA GLN 64 HA GLN 64 2.334 -7.946 3.621 515 HB2 GLN 64 HB2 GLN 64 1.564 -5.093 2.929 516 HB3 GLN 64 HB3 GLN 64 2.749 -6.127 2.151 517 HG2 GLN 64 HG2 GLN 64 -0.255 -6.404 2.049 518 HG3 GLN 64 HG3 GLN 64 0.826 -5.986 0.730 519 HE21 GLN 64 HE21 GLN 64 -1.069 -8.403 1.730 520 HE22 GLN 64 HE22 GLN 64 -0.112 -9.812 1.245 521 H HIS 65 H HIS 65 1.557 -6.312 6.460 522 HA HIS 65 HA HIS 65 3.707 -4.536 6.883 523 HB2 HIS 65 HB2 HIS 65 1.624 -4.518 8.153 524 HB3 HIS 65 HB3 HIS 65 2.036 -6.070 8.868 525 HD2 HIS 65 HD2 HIS 65 2.418 -5.378 11.361 526 HE1 HIS 65 HE1 HIS 65 5.342 -2.355 10.789 527 HE2 HIS 65 HE2 HIS 65 4.024 -3.643 12.516 528 H GLY 66 H GLY 66 5.786 -5.145 6.868 529 HA2 GLY 66 HA2 GLY 66 7.671 -6.138 7.969 530 HA3 GLY 66 HA3 GLY 66 6.641 -7.389 8.627 531 H THR 67 H THR 67 5.921 -7.162 5.270 532 HA THR 67 HA THR 67 7.199 -9.691 4.809 533 HB THR 67 HB THR 67 6.576 -9.220 2.424 534 HG1 THR 67 HG1 THR 67 6.754 -6.868 2.886 535 HG21 THR 67 HG21 THR 67 4.952 -10.336 3.935 536 HG22 THR 67 HG22 THR 67 4.130 -9.297 2.762 537 HG23 THR 67 HG23 THR 67 4.335 -8.770 4.457 538 H LEU 68 H LEU 68 9.233 -10.115 4.001 539 HA LEU 68 HA LEU 68 11.142 -7.916 3.777 540 HB2 LEU 68 HB2 LEU 68 11.379 -10.887 3.154 541 HB3 LEU 68 HB3 LEU 68 12.711 -9.736 3.088 542 HG LEU 68 HG LEU 68 11.189 -10.641 5.566 543 HD11 LEU 68 HD11 LEU 68 14.129 -10.772 4.795 544 HD12 LEU 68 HD12 LEU 68 12.991 -12.145 4.770 545 HD13 LEU 68 HD13 LEU 68 13.388 -11.359 6.320 546 HD21 LEU 68 HD21 LEU 68 13.290 -8.441 5.277 547 HD22 LEU 68 HD22 LEU 68 12.808 -9.183 6.823 548 HD23 LEU 68 HD23 LEU 68 11.612 -8.313 5.873 549 H LEU 69 H LEU 69 10.994 -6.660 2.108 550 HA LEU 69 HA LEU 69 10.451 -7.786 -0.605 551 HB2 LEU 69 HB2 LEU 69 8.601 -6.323 0.082 552 HB3 LEU 69 HB3 LEU 69 9.747 -5.057 0.546 553 HG LEU 69 HG LEU 69 10.484 -4.847 -1.832 554 HD11 LEU 69 HD11 LEU 69 8.234 -6.810 -2.430 555 HD12 LEU 69 HD12 LEU 69 9.958 -7.117 -2.662 556 HD13 LEU 69 HD13 LEU 69 9.149 -5.892 -3.637 557 HD21 LEU 69 HD21 LEU 69 7.503 -4.522 -1.383 558 HD22 LEU 69 HD22 LEU 69 8.424 -3.792 -2.712 559 HD23 LEU 69 HD23 LEU 69 8.778 -3.330 -1.041 560 H LYS 70 H LYS 70 12.231 -7.761 -1.787 561 HA LYS 70 HA LYS 70 14.312 -7.401 -2.496 562 HB2 LYS 70 HB2 LYS 70 13.467 -4.537 -2.176 563 HB3 LYS 70 HB3 LYS 70 14.740 -5.110 -3.253 564 HG2 LYS 70 HG2 LYS 70 13.253 -6.117 -4.743 565 HG3 LYS 70 HG3 LYS 70 11.940 -6.216 -3.588 566 HD2 LYS 70 HD2 LYS 70 11.261 -4.499 -4.960 567 HD3 LYS 70 HD3 LYS 70 11.843 -3.700 -3.526 568 HE2 LYS 70 HE2 LYS 70 12.498 -2.546 -5.570 569 HE3 LYS 70 HE3 LYS 70 13.921 -3.065 -4.630 570 HZ1 LYS 70 HZ1 LYS 70 14.473 -4.615 -6.268 571 HZ2 LYS 70 HZ2 LYS 70 13.806 -3.457 -7.198 572 HZ3 LYS 70 HZ3 LYS 70 12.933 -4.781 -6.797 573 H GLU 71 H GLU 71 14.478 -8.181 -0.064 574 HA GLU 71 HA GLU 71 15.814 -8.479 1.665 575 HB2 GLU 71 HB2 GLU 71 17.848 -6.628 0.383 576 HB3 GLU 71 HB3 GLU 71 18.114 -8.001 1.461 577 HG2 GLU 71 HG2 GLU 71 16.900 -9.400 -0.397 578 HG3 GLU 71 HG3 GLU 71 17.220 -8.021 -1.453 579 H LYS 72 H LYS 72 13.882 -6.194 1.749 580 HA LYS 72 HA LYS 72 15.026 -4.793 4.116 581 HB2 LYS 72 HB2 LYS 72 13.522 -3.644 1.761 582 HB3 LYS 72 HB3 LYS 72 13.563 -2.830 3.311 583 HG2 LYS 72 HG2 LYS 72 16.121 -3.639 1.866 584 HG3 LYS 72 HG3 LYS 72 15.291 -2.127 1.537 585 HD2 LYS 72 HD2 LYS 72 16.031 -2.840 4.370 586 HD3 LYS 72 HD3 LYS 72 17.221 -2.116 3.271 587 HE2 LYS 72 HE2 LYS 72 16.043 -0.107 3.058 588 HE3 LYS 72 HE3 LYS 72 14.504 -0.858 3.483 589 HZ1 LYS 72 HZ1 LYS 72 15.295 0.550 5.257 590 HZ2 LYS 72 HZ2 LYS 72 16.676 -0.326 5.411 591 HZ3 LYS 72 HZ3 LYS 72 15.214 -1.015 5.750 592 H LYS 73 H LYS 73 13.845 -5.036 5.893 593 HA LYS 73 HA LYS 73 11.166 -6.321 5.701 594 HB2 LYS 73 HB2 LYS 73 12.865 -6.833 7.609 595 HB3 LYS 73 HB3 LYS 73 12.616 -5.176 8.138 596 HG2 LYS 73 HG2 LYS 73 10.978 -5.878 9.425 597 HG3 LYS 73 HG3 LYS 73 10.008 -6.114 7.975 598 HD2 LYS 73 HD2 LYS 73 10.744 -8.496 7.863 599 HD3 LYS 73 HD3 LYS 73 11.760 -8.271 9.277 600 HE2 LYS 73 HE2 LYS 73 8.732 -7.848 9.194 601 HE3 LYS 73 HE3 LYS 73 9.517 -9.343 9.694 602 HZ1 LYS 73 HZ1 LYS 73 9.778 -6.743 11.098 603 HZ2 LYS 73 HZ2 LYS 73 10.519 -8.176 11.530 604 HZ3 LYS 73 HZ3 LYS 73 8.919 -8.040 11.581 605 H ILE 74 H ILE 74 9.708 -4.929 4.984 606 HA ILE 74 HA ILE 74 9.872 -2.039 5.649 607 HB ILE 74 HB ILE 74 8.344 -1.707 3.816 608 HG12 ILE 74 HG12 ILE 74 8.640 -4.682 3.211 609 HG13 ILE 74 HG13 ILE 74 7.235 -4.003 3.939 610 HG21 ILE 74 HG21 ILE 74 10.655 -3.429 2.829 611 HG22 ILE 74 HG22 ILE 74 9.911 -2.037 2.031 612 HG23 ILE 74 HG23 ILE 74 10.863 -1.807 3.503 613 HD11 ILE 74 HD11 ILE 74 8.224 -3.250 1.180 614 HD12 ILE 74 HD12 ILE 74 6.905 -4.363 1.555 615 HD13 ILE 74 HD13 ILE 74 6.758 -2.632 1.975 616 H ASN 75 H ASN 75 7.580 -1.040 5.933 617 HA ASN 75 HA ASN 75 5.890 -2.770 7.712 618 HB2 ASN 75 HB2 ASN 75 5.500 -0.633 9.040 619 HB3 ASN 75 HB3 ASN 75 7.083 -1.362 9.284 620 HD21 ASN 75 HD21 ASN 75 5.275 1.327 7.652 621 HD22 ASN 75 HD22 ASN 75 6.704 2.326 7.477 622 H VAL 76 H VAL 76 3.711 -2.067 7.989 623 HA VAL 76 HA VAL 76 2.650 -0.162 6.013 624 HB VAL 76 HB VAL 76 1.858 -3.072 6.417 625 HG11 VAL 76 HG11 VAL 76 -0.182 -2.576 5.010 626 HG12 VAL 76 HG12 VAL 76 -0.254 -1.918 6.643 627 HG13 VAL 76 HG13 VAL 76 0.136 -0.849 5.282 628 HG21 VAL 76 HG21 VAL 76 2.130 -1.437 3.879 629 HG22 VAL 76 HG22 VAL 76 3.419 -2.450 4.545 630 HG23 VAL 76 HG23 VAL 76 1.894 -3.188 4.012 631 H GLU 77 H GLU 77 0.942 1.034 6.856 632 HA GLU 77 HA GLU 77 -0.379 0.230 9.300 633 HB2 GLU 77 HB2 GLU 77 0.019 2.548 10.300 634 HB3 GLU 77 HB3 GLU 77 1.215 1.273 10.577 635 HG2 GLU 77 HG2 GLU 77 2.758 2.310 9.016 636 HG3 GLU 77 HG3 GLU 77 1.509 3.457 8.510 637 H LEU 78 H LEU 78 -2.185 1.826 9.792 638 HA LEU 78 HA LEU 78 -3.495 2.504 7.268 639 HB2 LEU 78 HB2 LEU 78 -4.214 1.478 9.834 640 HB3 LEU 78 HB3 LEU 78 -4.901 3.060 9.819 641 HG LEU 78 HG LEU 78 -6.391 1.228 9.155 642 HD11 LEU 78 HD11 LEU 78 -6.869 3.520 8.442 643 HD12 LEU 78 HD12 LEU 78 -7.389 2.370 7.194 644 HD13 LEU 78 HD13 LEU 78 -5.880 3.286 6.992 645 HD21 LEU 78 HD21 LEU 78 -6.236 0.053 7.074 646 HD22 LEU 78 HD22 LEU 78 -4.685 -0.129 7.908 647 HD23 LEU 78 HD23 LEU 78 -4.837 0.995 6.548 648 H THR 79 H THR 79 -4.281 4.544 6.841 649 HA THR 79 HA THR 79 -3.644 6.773 8.669 650 HB THR 79 HB THR 79 -2.644 8.059 6.729 651 HG1 THR 79 HG1 THR 79 -3.037 5.758 5.464 652 HG21 THR 79 HG21 THR 79 -1.261 7.321 8.626 653 HG22 THR 79 HG22 THR 79 -0.369 7.305 7.090 654 HG23 THR 79 HG23 THR 79 -0.940 5.789 7.786 655 H VAL 80 H VAL 80 -5.321 8.191 8.636 656 HA VAL 80 HA VAL 80 -7.131 9.377 8.026 657 HB VAL 80 HB VAL 80 -6.535 8.556 5.144 658 HG11 VAL 80 HG11 VAL 80 -7.674 10.622 4.485 659 HG12 VAL 80 HG12 VAL 80 -8.760 9.442 5.186 660 HG13 VAL 80 HG13 VAL 80 -8.228 10.852 6.150 661 HG21 VAL 80 HG21 VAL 80 -5.651 11.021 6.709 662 HG22 VAL 80 HG22 VAL 80 -4.592 9.693 6.177 663 HG23 VAL 80 HG23 VAL 80 -5.364 10.712 4.985 664 H GLY 81 H GLY 81 -9.413 9.137 7.372 665 HA2 GLY 81 HA2 GLY 81 -10.884 7.115 6.421 666 HA3 GLY 81 HA3 GLY 81 -10.404 6.429 7.988 667 H GLY 82 H GLY 82 -11.503 9.548 6.625 668 HA2 GLY 82 HA2 GLY 82 -13.794 10.258 7.407 669 HA3 GLY 82 HA3 GLY 82 -13.074 10.177 9.051 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -13.986 9.245 6.265 2 HA2 GLY 1 HA2 GLY 1 -15.999 8.495 5.147 3 HA3 GLY 1 HA3 GLY 1 -15.184 9.693 4.130 4 H ASN 2 H ASN 2 -16.029 8.700 2.122 5 HA ASN 2 HA ASN 2 -15.692 5.921 1.658 6 HB2 ASN 2 HB2 ASN 2 -16.459 6.243 -0.524 7 HB3 ASN 2 HB3 ASN 2 -17.268 7.531 0.372 8 HD21 ASN 2 HD21 ASN 2 -15.033 6.819 -2.336 9 HD22 ASN 2 HD22 ASN 2 -14.721 8.479 -2.699 10 H ARG 3 H ARG 3 -13.164 7.932 1.982 11 HA ARG 3 HA ARG 3 -11.542 6.251 0.149 12 HB2 ARG 3 HB2 ARG 3 -12.203 8.852 -0.493 13 HB3 ARG 3 HB3 ARG 3 -10.603 9.046 0.231 14 HG2 ARG 3 HG2 ARG 3 -11.174 6.939 -1.880 15 HG3 ARG 3 HG3 ARG 3 -10.820 8.603 -2.321 16 HD2 ARG 3 HD2 ARG 3 -8.977 7.009 -0.500 17 HD3 ARG 3 HD3 ARG 3 -8.848 6.959 -2.250 18 HE ARG 3 HE ARG 3 -8.140 9.193 -0.477 19 HH11 ARG 3 HH11 ARG 3 -8.865 8.259 -3.853 20 HH12 ARG 3 HH12 ARG 3 -7.936 9.530 -4.535 21 HH21 ARG 3 HH21 ARG 3 -7.135 10.986 -1.360 22 HH22 ARG 3 HH22 ARG 3 -6.925 11.155 -3.081 23 H PHE 4 H PHE 4 -10.377 5.128 1.328 24 HA PHE 4 HA PHE 4 -9.041 6.060 3.804 25 HB2 PHE 4 HB2 PHE 4 -9.539 3.289 2.629 26 HB3 PHE 4 HB3 PHE 4 -8.602 3.601 4.072 27 HD1 PHE 4 HD2 PHE 4 -12.104 4.247 2.732 28 HD2 PHE 4 HD1 PHE 4 -9.628 3.325 6.149 29 HE1 PHE 4 HE2 PHE 4 -14.099 3.950 4.083 30 HE2 PHE 4 HE1 PHE 4 -11.646 3.073 7.521 31 HZ PHE 4 HZ PHE 4 -13.904 3.297 6.486 32 H ILE 5 H ILE 5 -6.760 5.390 4.019 33 HA ILE 5 HA ILE 5 -5.290 4.969 1.503 34 HB ILE 5 HB ILE 5 -4.511 7.089 3.542 35 HG12 ILE 5 HG12 ILE 5 -5.164 8.012 0.771 36 HG13 ILE 5 HG13 ILE 5 -6.562 7.536 1.686 37 HG21 ILE 5 HG21 ILE 5 -3.318 6.479 0.811 38 HG22 ILE 5 HG22 ILE 5 -2.881 7.853 1.844 39 HG23 ILE 5 HG23 ILE 5 -2.549 6.214 2.391 40 HD11 ILE 5 HD11 ILE 5 -4.502 9.506 2.661 41 HD12 ILE 5 HD12 ILE 5 -6.127 9.860 2.019 42 HD13 ILE 5 HD13 ILE 5 -5.975 8.982 3.533 43 H VAL 6 H VAL 6 -3.321 3.942 1.819 44 HA VAL 6 HA VAL 6 -2.805 2.746 4.495 45 HB VAL 6 HB VAL 6 -2.347 1.576 1.714 46 HG11 VAL 6 HG11 VAL 6 -1.675 -0.480 2.921 47 HG12 VAL 6 HG12 VAL 6 -0.592 0.868 3.279 48 HG13 VAL 6 HG13 VAL 6 -1.822 0.388 4.467 49 HG21 VAL 6 HG21 VAL 6 -3.986 -0.155 2.480 50 HG22 VAL 6 HG22 VAL 6 -4.327 0.845 3.910 51 HG23 VAL 6 HG23 VAL 6 -4.690 1.458 2.277 52 H PHE 7 H PHE 7 -0.875 3.205 5.295 53 HA PHE 7 HA PHE 7 1.047 4.914 3.803 54 HB2 PHE 7 HB2 PHE 7 0.259 5.571 6.180 55 HB3 PHE 7 HB3 PHE 7 0.854 4.030 6.711 56 HD1 PHE 7 HD1 PHE 7 2.012 7.164 5.016 57 HD2 PHE 7 HD2 PHE 7 3.150 3.773 7.416 58 HE1 PHE 7 HE1 PHE 7 4.276 8.097 5.269 59 HE2 PHE 7 HE2 PHE 7 5.374 4.740 7.735 60 HZ PHE 7 HZ PHE 7 5.938 6.909 6.706 61 H VAL 8 H VAL 8 3.155 4.038 3.377 62 HA VAL 8 HA VAL 8 3.811 1.475 4.625 63 HB VAL 8 HB VAL 8 4.209 1.891 1.650 64 HG11 VAL 8 HG11 VAL 8 4.656 -0.530 1.645 65 HG12 VAL 8 HG12 VAL 8 5.643 0.214 2.922 66 HG13 VAL 8 HG13 VAL 8 4.188 -0.646 3.338 67 HG21 VAL 8 HG21 VAL 8 1.912 0.387 2.974 68 HG22 VAL 8 HG22 VAL 8 1.782 1.792 1.899 69 HG23 VAL 8 HG23 VAL 8 2.350 0.244 1.263 70 H GLY 9 H GLY 9 6.056 1.519 5.277 71 HA2 GLY 9 HA2 GLY 9 7.771 3.474 3.907 72 HA3 GLY 9 HA3 GLY 9 7.587 3.782 5.594 73 H SER 10 H SER 10 10.034 3.398 5.163 74 HA SER 10 HA SER 10 11.930 2.297 5.601 75 HB2 SER 10 HB2 SER 10 9.950 0.348 6.633 76 HB3 SER 10 HB3 SER 10 11.419 -0.353 6.119 77 HG SER 10 HG SER 10 11.463 0.316 8.308 78 H LEU 11 H LEU 11 10.197 2.108 2.993 79 HA LEU 11 HA LEU 11 10.887 -0.111 1.516 80 HB2 LEU 11 HB2 LEU 11 10.302 2.747 0.730 81 HB3 LEU 11 HB3 LEU 11 10.768 1.578 -0.489 82 HG LEU 11 HG LEU 11 8.904 0.130 -0.006 83 HD11 LEU 11 HD11 LEU 11 8.170 2.213 2.133 84 HD12 LEU 11 HD12 LEU 11 8.478 0.484 2.400 85 HD13 LEU 11 HD13 LEU 11 7.049 0.992 1.513 86 HD21 LEU 11 HD21 LEU 11 7.057 1.643 -0.696 87 HD22 LEU 11 HD22 LEU 11 8.538 1.918 -1.591 88 HD23 LEU 11 HD23 LEU 11 8.075 3.050 -0.303 89 HA PRO 12 HA PRO 12 15.195 0.142 0.707 90 HB2 PRO 12 HB2 PRO 12 15.301 -1.161 -1.782 91 HB3 PRO 12 HB3 PRO 12 15.194 -1.984 -0.214 92 HG2 PRO 12 HG2 PRO 12 13.024 -1.398 -2.197 93 HG3 PRO 12 HG3 PRO 12 13.236 -2.847 -1.170 94 HD2 PRO 12 HD2 PRO 12 11.462 -0.838 -0.585 95 HD3 PRO 12 HD3 PRO 12 12.266 -1.802 0.680 96 H ARG 13 H ARG 13 16.713 1.178 -0.701 97 HA ARG 13 HA ARG 13 15.808 3.597 -2.014 98 HB2 ARG 13 HB2 ARG 13 18.414 2.038 -1.980 99 HB3 ARG 13 HB3 ARG 13 18.205 3.536 -2.897 100 HG2 ARG 13 HG2 ARG 13 17.196 4.231 -0.395 101 HG3 ARG 13 HG3 ARG 13 18.500 3.124 0.054 102 HD2 ARG 13 HD2 ARG 13 18.833 5.374 -1.955 103 HD3 ARG 13 HD3 ARG 13 18.986 5.650 -0.237 104 HE ARG 13 HE ARG 13 20.710 3.710 -1.761 105 HH11 ARG 13 HH11 ARG 13 20.354 6.064 0.867 106 HH12 ARG 13 HH12 ARG 13 22.047 6.301 1.121 107 HH21 ARG 13 HH21 ARG 13 23.012 4.039 -1.461 108 HH22 ARG 13 HH22 ARG 13 23.559 5.163 -0.245 109 H ASP 14 H ASP 14 16.962 0.450 -3.120 110 HA ASP 14 HA ASP 14 16.665 0.857 -5.906 111 HB2 ASP 14 HB2 ASP 14 17.132 -1.538 -4.309 112 HB3 ASP 14 HB3 ASP 14 17.255 -1.494 -6.067 113 H ILE 15 H ILE 15 14.140 1.040 -3.996 114 HA ILE 15 HA ILE 15 12.353 -1.018 -4.747 115 HB ILE 15 HB ILE 15 11.981 0.515 -2.867 116 HG12 ILE 15 HG12 ILE 15 9.589 0.998 -3.204 117 HG13 ILE 15 HG13 ILE 15 9.723 0.535 -4.908 118 HG21 ILE 15 HG21 ILE 15 11.218 2.646 -4.885 119 HG22 ILE 15 HG22 ILE 15 11.324 2.785 -3.107 120 HG23 ILE 15 HG23 ILE 15 12.783 2.618 -4.061 121 HD11 ILE 15 HD11 ILE 15 8.801 -1.218 -3.418 122 HD12 ILE 15 HD12 ILE 15 10.265 -1.751 -4.252 123 HD13 ILE 15 HD13 ILE 15 10.332 -1.271 -2.530 124 H THR 16 H THR 16 10.792 -1.170 -6.467 125 HA THR 16 HA THR 16 11.062 0.759 -8.680 126 HB THR 16 HB THR 16 10.572 -1.535 -9.983 127 HG1 THR 16 HG1 THR 16 11.993 -3.148 -9.050 128 HG21 THR 16 HG21 THR 16 13.361 -0.725 -9.071 129 HG22 THR 16 HG22 THR 16 12.444 0.004 -10.414 130 HG23 THR 16 HG23 THR 16 12.948 -1.680 -10.516 131 H ALA 17 H ALA 17 9.101 1.124 -9.781 132 HA ALA 17 HA ALA 17 6.731 0.907 -8.206 133 HB1 ALA 17 HB1 ALA 17 5.658 1.545 -10.428 134 HB2 ALA 17 HB2 ALA 17 6.922 2.640 -9.845 135 HB3 ALA 17 HB3 ALA 17 7.274 1.482 -11.154 136 H VAL 18 H VAL 18 8.200 -1.182 -10.653 137 HA VAL 18 HA VAL 18 6.023 -2.831 -11.210 138 HB VAL 18 HB VAL 18 8.952 -3.708 -11.015 139 HG11 VAL 18 HG11 VAL 18 7.365 -5.558 -11.457 140 HG12 VAL 18 HG12 VAL 18 6.724 -4.668 -12.863 141 HG13 VAL 18 HG13 VAL 18 8.400 -5.237 -12.853 142 HG21 VAL 18 HG21 VAL 18 9.032 -1.684 -12.325 143 HG22 VAL 18 HG22 VAL 18 9.139 -3.038 -13.439 144 HG23 VAL 18 HG23 VAL 18 7.597 -2.175 -13.264 145 H GLU 19 H GLU 19 8.415 -3.072 -8.510 146 HA GLU 19 HA GLU 19 7.324 -5.552 -7.511 147 HB2 GLU 19 HB2 GLU 19 9.298 -3.461 -6.572 148 HB3 GLU 19 HB3 GLU 19 8.705 -4.631 -5.410 149 HG2 GLU 19 HG2 GLU 19 9.823 -5.510 -8.101 150 HG3 GLU 19 HG3 GLU 19 10.874 -5.181 -6.747 151 H LEU 20 H LEU 20 6.765 -2.090 -6.858 152 HA LEU 20 HA LEU 20 5.055 -2.489 -4.590 153 HB2 LEU 20 HB2 LEU 20 5.259 -0.250 -6.642 154 HB3 LEU 20 HB3 LEU 20 4.138 -0.195 -5.289 155 HG LEU 20 HG LEU 20 7.169 -0.374 -5.100 156 HD11 LEU 20 HD11 LEU 20 5.202 1.866 -4.494 157 HD12 LEU 20 HD12 LEU 20 6.379 1.808 -5.840 158 HD13 LEU 20 HD13 LEU 20 6.942 1.900 -4.159 159 HD21 LEU 20 HD21 LEU 20 6.706 0.180 -2.632 160 HD22 LEU 20 HD22 LEU 20 6.308 -1.465 -3.119 161 HD23 LEU 20 HD23 LEU 20 5.014 -0.267 -2.961 162 H GLN 21 H GLN 21 4.330 -2.221 -8.073 163 HA GLN 21 HA GLN 21 1.500 -2.465 -7.822 164 HB2 GLN 21 HB2 GLN 21 3.526 -3.165 -9.974 165 HB3 GLN 21 HB3 GLN 21 1.795 -3.300 -10.251 166 HG2 GLN 21 HG2 GLN 21 3.009 -0.684 -9.253 167 HG3 GLN 21 HG3 GLN 21 3.091 -1.121 -10.949 168 HE21 GLN 21 HE21 GLN 21 1.875 1.142 -10.611 169 HE22 GLN 21 HE22 GLN 21 0.129 0.975 -10.741 170 H ASN 22 H ASN 22 4.081 -4.868 -8.348 171 HA ASN 22 HA ASN 22 2.518 -7.169 -8.534 172 HB2 ASN 22 HB2 ASN 22 4.966 -6.947 -9.080 173 HB3 ASN 22 HB3 ASN 22 5.321 -6.877 -7.348 174 HD21 ASN 22 HD21 ASN 22 6.409 -8.798 -7.000 175 HD22 ASN 22 HD22 ASN 22 5.779 -10.368 -7.454 176 H HIS 23 H HIS 23 3.656 -5.617 -5.534 177 HA HIS 23 HA HIS 23 2.869 -7.894 -3.876 178 HB2 HIS 23 HB2 HIS 23 4.213 -5.290 -3.501 179 HB3 HIS 23 HB3 HIS 23 3.171 -5.761 -2.175 180 HD2 HIS 23 HD2 HIS 23 4.158 -7.534 -0.521 181 HE1 HIS 23 HE1 HIS 23 7.520 -8.788 -2.829 182 HE2 HIS 23 HE2 HIS 23 6.370 -9.011 -0.587 183 H PHE 24 H PHE 24 1.496 -4.589 -4.368 184 HA PHE 24 HA PHE 24 -0.948 -5.355 -2.947 185 HB2 PHE 24 HB2 PHE 24 -0.233 -2.795 -4.348 186 HB3 PHE 24 HB3 PHE 24 -1.617 -3.068 -3.293 187 HD1 PHE 24 HD2 PHE 24 -1.008 -4.113 -0.851 188 HD2 PHE 24 HD1 PHE 24 1.801 -2.033 -3.369 189 HE1 PHE 24 HE2 PHE 24 0.361 -3.542 1.129 190 HE2 PHE 24 HE1 PHE 24 3.197 -1.545 -1.415 191 HZ PHE 24 HZ PHE 24 2.469 -2.279 0.865 192 H LYS 25 H LYS 25 -0.090 -6.350 -5.926 193 HA LYS 25 HA LYS 25 -2.203 -5.747 -7.569 194 HB2 LYS 25 HB2 LYS 25 -1.301 -7.310 -8.946 195 HB3 LYS 25 HB3 LYS 25 0.018 -7.009 -7.884 196 HG2 LYS 25 HG2 LYS 25 -0.426 -9.102 -6.666 197 HG3 LYS 25 HG3 LYS 25 -1.762 -9.469 -7.783 198 HD2 LYS 25 HD2 LYS 25 -0.259 -9.438 -9.699 199 HD3 LYS 25 HD3 LYS 25 1.077 -8.860 -8.707 200 HE2 LYS 25 HE2 LYS 25 0.971 -11.035 -7.414 201 HE3 LYS 25 HE3 LYS 25 -0.172 -11.626 -8.646 202 HZ1 LYS 25 HZ1 LYS 25 2.124 -12.227 -9.182 203 HZ2 LYS 25 HZ2 LYS 25 2.578 -10.662 -9.136 204 HZ3 LYS 25 HZ3 LYS 25 1.542 -11.166 -10.309 205 H ASN 26 H ASN 26 -2.295 -7.858 -4.796 206 HA ASN 26 HA ASN 26 -4.847 -9.109 -5.638 207 HB2 ASN 26 HB2 ASN 26 -2.770 -9.743 -3.622 208 HB3 ASN 26 HB3 ASN 26 -4.408 -9.862 -2.989 209 HD21 ASN 26 HD21 ASN 26 -5.692 -11.692 -3.534 210 HD22 ASN 26 HD22 ASN 26 -5.220 -12.776 -4.813 211 H SER 27 H SER 27 -3.833 -6.255 -3.933 212 HA SER 27 HA SER 27 -6.433 -6.078 -2.512 213 HB2 SER 27 HB2 SER 27 -5.038 -3.979 -1.580 214 HB3 SER 27 HB3 SER 27 -5.050 -5.584 -0.871 215 HG SER 27 HG SER 27 -2.970 -4.765 -1.100 216 H SER 28 H SER 28 -4.849 -4.997 -5.338 217 HA SER 28 HA SER 28 -5.317 -3.478 -6.933 218 HB2 SER 28 HB2 SER 28 -8.161 -3.757 -5.988 219 HB3 SER 28 HB3 SER 28 -7.609 -3.323 -7.615 220 HG SER 28 HG SER 28 -6.818 -5.417 -7.855 221 HA PRO 29 HA PRO 29 -5.588 0.212 -4.113 222 HB2 PRO 29 HB2 PRO 29 -3.295 1.467 -4.957 223 HB3 PRO 29 HB3 PRO 29 -3.326 0.221 -3.678 224 HG2 PRO 29 HG2 PRO 29 -2.749 -0.144 -6.641 225 HG3 PRO 29 HG3 PRO 29 -1.767 -0.746 -5.267 226 HD2 PRO 29 HD2 PRO 29 -3.523 -2.333 -6.560 227 HD3 PRO 29 HD3 PRO 29 -3.359 -2.446 -4.777 228 H ASP 30 H ASP 30 -5.961 2.476 -4.764 229 HA ASP 30 HA ASP 30 -7.111 2.652 -7.474 230 HB2 ASP 30 HB2 ASP 30 -8.346 3.375 -5.347 231 HB3 ASP 30 HB3 ASP 30 -7.179 4.688 -5.200 232 H GLN 31 H GLN 31 -4.728 4.158 -5.290 233 HA GLN 31 HA GLN 31 -3.351 5.326 -7.615 234 HB2 GLN 31 HB2 GLN 31 -4.913 6.875 -6.085 235 HB3 GLN 31 HB3 GLN 31 -3.564 6.733 -4.964 236 HG2 GLN 31 HG2 GLN 31 -3.253 8.754 -6.150 237 HG3 GLN 31 HG3 GLN 31 -2.057 7.615 -6.785 238 HE21 GLN 31 HE21 GLN 31 -1.881 8.944 -8.697 239 HE22 GLN 31 HE22 GLN 31 -3.237 9.150 -9.794 240 H ILE 32 H ILE 32 -1.029 5.639 -7.241 241 HA ILE 32 HA ILE 32 0.160 4.430 -4.826 242 HB ILE 32 HB ILE 32 0.846 3.629 -7.687 243 HG12 ILE 32 HG12 ILE 32 -0.225 1.752 -5.561 244 HG13 ILE 32 HG13 ILE 32 -1.314 2.540 -6.690 245 HG21 ILE 32 HG21 ILE 32 1.945 2.388 -5.133 246 HG22 ILE 32 HG22 ILE 32 2.465 2.090 -6.787 247 HG23 ILE 32 HG23 ILE 32 2.797 3.655 -6.034 248 HD11 ILE 32 HD11 ILE 32 -0.306 1.599 -8.610 249 HD12 ILE 32 HD12 ILE 32 0.951 0.787 -7.660 250 HD13 ILE 32 HD13 ILE 32 -0.737 0.300 -7.497 251 H ARG 33 H ARG 33 1.645 5.896 -4.130 252 HA ARG 33 HA ARG 33 3.206 7.474 -6.075 253 HB2 ARG 33 HB2 ARG 33 1.206 8.640 -4.566 254 HB3 ARG 33 HB3 ARG 33 2.560 8.863 -3.499 255 HG2 ARG 33 HG2 ARG 33 2.160 9.857 -6.311 256 HG3 ARG 33 HG3 ARG 33 2.331 10.774 -4.819 257 HD2 ARG 33 HD2 ARG 33 4.415 11.154 -5.667 258 HD3 ARG 33 HD3 ARG 33 4.777 9.641 -4.817 259 HE ARG 33 HE ARG 33 3.807 9.107 -7.459 260 HH11 ARG 33 HH11 ARG 33 6.840 10.335 -5.924 261 HH12 ARG 33 HH12 ARG 33 7.735 10.141 -7.356 262 HH21 ARG 33 HH21 ARG 33 5.132 8.643 -9.244 263 HH22 ARG 33 HH22 ARG 33 6.833 8.881 -9.101 264 H LEU 34 H LEU 34 5.131 6.471 -5.831 265 HA LEU 34 HA LEU 34 6.137 5.634 -3.189 266 HB2 LEU 34 HB2 LEU 34 6.310 4.121 -5.029 267 HB3 LEU 34 HB3 LEU 34 7.107 5.280 -6.057 268 HG LEU 34 HG LEU 34 8.505 3.356 -4.970 269 HD11 LEU 34 HD11 LEU 34 9.510 5.239 -6.198 270 HD12 LEU 34 HD12 LEU 34 10.503 4.750 -4.822 271 HD13 LEU 34 HD13 LEU 34 9.532 6.213 -4.716 272 HD21 LEU 34 HD21 LEU 34 8.619 5.239 -2.587 273 HD22 LEU 34 HD22 LEU 34 9.361 3.662 -2.788 274 HD23 LEU 34 HD23 LEU 34 7.601 3.787 -2.662 275 H ARG 35 H ARG 35 7.225 7.116 -1.922 276 HA ARG 35 HA ARG 35 8.672 9.346 -3.272 277 HB2 ARG 35 HB2 ARG 35 7.389 9.228 -0.529 278 HB3 ARG 35 HB3 ARG 35 8.503 10.477 -1.097 279 HG2 ARG 35 HG2 ARG 35 6.869 10.772 -3.104 280 HG3 ARG 35 HG3 ARG 35 5.700 9.876 -2.117 281 HD2 ARG 35 HD2 ARG 35 5.847 11.541 -0.357 282 HD3 ARG 35 HD3 ARG 35 7.243 12.298 -1.138 283 HE ARG 35 HE ARG 35 4.416 12.375 -2.141 284 HH11 ARG 35 HH11 ARG 35 7.509 14.086 -1.832 285 HH12 ARG 35 HH12 ARG 35 7.091 15.276 -3.016 286 HH21 ARG 35 HH21 ARG 35 3.895 13.899 -3.636 287 HH22 ARG 35 HH22 ARG 35 5.029 15.125 -4.160 288 H ALA 36 H ALA 36 10.456 7.992 -3.670 289 HA ALA 36 HA ALA 36 11.749 6.358 -1.752 290 HB1 ALA 36 HB1 ALA 36 12.251 6.164 -4.113 291 HB2 ALA 36 HB2 ALA 36 12.874 7.829 -4.158 292 HB3 ALA 36 HB3 ALA 36 13.735 6.576 -3.243 293 H ASP 37 H ASP 37 11.726 9.808 -2.132 294 HA ASP 37 HA ASP 37 14.017 10.791 -0.987 295 HB2 ASP 37 HB2 ASP 37 11.126 11.704 -0.675 296 HB3 ASP 37 HB3 ASP 37 12.506 12.656 -0.129 297 H LYS 38 H LYS 38 11.379 9.154 0.695 298 HA LYS 38 HA LYS 38 12.900 9.307 3.239 299 HB2 LYS 38 HB2 LYS 38 10.059 10.181 2.832 300 HB3 LYS 38 HB3 LYS 38 10.498 9.410 4.354 301 HG2 LYS 38 HG2 LYS 38 12.334 11.105 4.631 302 HG3 LYS 38 HG3 LYS 38 11.686 11.949 3.217 303 HD2 LYS 38 HD2 LYS 38 9.430 12.013 4.473 304 HD3 LYS 38 HD3 LYS 38 10.317 11.413 5.893 305 HE2 LYS 38 HE2 LYS 38 11.882 13.435 5.583 306 HE3 LYS 38 HE3 LYS 38 10.724 14.028 4.383 307 HZ1 LYS 38 HZ1 LYS 38 9.026 13.907 6.238 308 HZ2 LYS 38 HZ2 LYS 38 10.194 15.035 6.425 309 HZ3 LYS 38 HZ3 LYS 38 10.284 13.661 7.283 310 H GLY 39 H GLY 39 12.065 7.338 0.884 311 HA2 GLY 39 HA2 GLY 39 11.697 5.077 0.673 312 HA3 GLY 39 HA3 GLY 39 12.230 4.934 2.360 313 H ILE 40 H ILE 40 9.295 6.545 0.894 314 HA ILE 40 HA ILE 40 7.546 4.695 2.345 315 HB ILE 40 HB ILE 40 6.176 6.922 2.796 316 HG12 ILE 40 HG12 ILE 40 8.929 8.011 2.938 317 HG13 ILE 40 HG13 ILE 40 7.911 8.297 1.514 318 HG21 ILE 40 HG21 ILE 40 8.598 6.044 4.400 319 HG22 ILE 40 HG22 ILE 40 7.404 7.207 5.011 320 HG23 ILE 40 HG23 ILE 40 6.878 5.580 4.623 321 HD11 ILE 40 HD11 ILE 40 6.181 9.338 3.056 322 HD12 ILE 40 HD12 ILE 40 7.416 9.297 4.341 323 HD13 ILE 40 HD13 ILE 40 7.695 10.241 2.874 324 H ALA 41 H ALA 41 5.247 5.041 1.673 325 HA ALA 41 HA ALA 41 4.870 6.114 -0.992 326 HB1 ALA 41 HB1 ALA 41 4.347 4.075 -2.082 327 HB2 ALA 41 HB2 ALA 41 5.805 3.687 -1.191 328 HB3 ALA 41 HB3 ALA 41 4.230 3.181 -0.548 329 H PHE 42 H PHE 42 2.559 6.187 -1.526 330 HA PHE 42 HA PHE 42 0.682 5.794 0.787 331 HB2 PHE 42 HB2 PHE 42 0.811 8.134 -1.178 332 HB3 PHE 42 HB3 PHE 42 -0.547 7.805 -0.111 333 HD1 PHE 42 HD2 PHE 42 -0.109 7.691 2.451 334 HD2 PHE 42 HD1 PHE 42 2.580 9.507 -0.394 335 HE1 PHE 42 HE2 PHE 42 0.940 9.015 4.274 336 HE2 PHE 42 HE1 PHE 42 3.689 10.747 1.474 337 HZ PHE 42 HZ PHE 42 2.810 10.566 3.782 338 H LEU 43 H LEU 43 -0.999 4.505 0.281 339 HA LEU 43 HA LEU 43 -1.681 4.143 -2.596 340 HB2 LEU 43 HB2 LEU 43 -1.596 2.037 -0.413 341 HB3 LEU 43 HB3 LEU 43 -2.358 1.850 -1.997 342 HG LEU 43 HG LEU 43 0.051 2.595 -2.884 343 HD11 LEU 43 HD11 LEU 43 0.688 1.203 -0.243 344 HD12 LEU 43 HD12 LEU 43 1.088 2.886 -0.610 345 HD13 LEU 43 HD13 LEU 43 1.865 1.574 -1.512 346 HD21 LEU 43 HD21 LEU 43 -0.614 -0.205 -1.909 347 HD22 LEU 43 HD22 LEU 43 0.650 0.221 -3.088 348 HD23 LEU 43 HD23 LEU 43 -1.040 0.526 -3.476 349 H GLU 44 H GLU 44 -3.593 5.012 -2.966 350 HA GLU 44 HA GLU 44 -5.568 5.471 -0.769 351 HB2 GLU 44 HB2 GLU 44 -5.392 6.306 -3.693 352 HB3 GLU 44 HB3 GLU 44 -6.728 6.719 -2.641 353 HG2 GLU 44 HG2 GLU 44 -5.581 8.365 -1.543 354 HG3 GLU 44 HG3 GLU 44 -4.058 7.487 -1.561 355 H PHE 45 H PHE 45 -7.780 4.667 -1.146 356 HA PHE 45 HA PHE 45 -8.199 2.682 -3.300 357 HB2 PHE 45 HB2 PHE 45 -8.568 2.215 -0.310 358 HB3 PHE 45 HB3 PHE 45 -9.202 1.174 -1.579 359 HD1 PHE 45 HD1 PHE 45 -5.921 2.519 -0.240 360 HD2 PHE 45 HD2 PHE 45 -7.990 -0.734 -2.183 361 HE1 PHE 45 HE1 PHE 45 -3.869 1.167 -0.165 362 HE2 PHE 45 HE2 PHE 45 -5.969 -2.110 -1.989 363 HZ PHE 45 HZ PHE 45 -3.851 -1.154 -1.079 364 H ASP 46 H ASP 46 -10.485 2.578 -3.821 365 HA ASP 46 HA ASP 46 -12.112 4.790 -2.624 366 HB2 ASP 46 HB2 ASP 46 -11.954 4.933 -5.041 367 HB3 ASP 46 HB3 ASP 46 -12.613 3.300 -5.195 368 H ALA 47 H ALA 47 -13.385 4.216 -0.974 369 HA ALA 47 HA ALA 47 -14.225 1.490 -0.529 370 HB1 ALA 47 HB1 ALA 47 -15.368 2.359 1.411 371 HB2 ALA 47 HB2 ALA 47 -13.819 3.215 1.305 372 HB3 ALA 47 HB3 ALA 47 -15.322 3.999 0.770 373 H ASP 48 H ASP 48 -15.586 4.221 -2.335 374 HA ASP 48 HA ASP 48 -18.310 3.212 -2.106 375 HB2 ASP 48 HB2 ASP 48 -17.741 5.617 -2.564 376 HB3 ASP 48 HB3 ASP 48 -17.239 5.137 -4.195 377 H LYS 49 H LYS 49 -15.551 2.644 -4.240 378 HA LYS 49 HA LYS 49 -16.891 1.436 -6.393 379 HB2 LYS 49 HB2 LYS 49 -14.390 2.182 -6.034 380 HB3 LYS 49 HB3 LYS 49 -14.139 0.529 -5.489 381 HG2 LYS 49 HG2 LYS 49 -14.938 -0.295 -7.684 382 HG3 LYS 49 HG3 LYS 49 -15.391 1.365 -8.134 383 HD2 LYS 49 HD2 LYS 49 -12.977 2.041 -7.900 384 HD3 LYS 49 HD3 LYS 49 -12.573 0.335 -7.608 385 HE2 LYS 49 HE2 LYS 49 -13.503 -0.230 -9.868 386 HE3 LYS 49 HE3 LYS 49 -13.876 1.490 -10.118 387 HZ1 LYS 49 HZ1 LYS 49 -11.507 1.960 -9.918 388 HZ2 LYS 49 HZ2 LYS 49 -11.771 0.936 -11.150 389 HZ3 LYS 49 HZ3 LYS 49 -11.166 0.369 -9.742 390 H ASP 50 H ASP 50 -16.105 0.112 -3.204 391 HA ASP 50 HA ASP 50 -17.672 -2.263 -3.774 392 HB2 ASP 50 HB2 ASP 50 -15.402 -2.818 -4.734 393 HB3 ASP 50 HB3 ASP 50 -14.716 -2.651 -3.122 394 H ARG 51 H ARG 51 -18.881 -1.288 -2.121 395 HA ARG 51 HA ARG 51 -18.087 -0.306 0.332 396 HB2 ARG 51 HB2 ARG 51 -20.611 -1.733 -0.453 397 HB3 ARG 51 HB3 ARG 51 -20.398 -1.044 1.149 398 HG2 ARG 51 HG2 ARG 51 -20.599 1.102 0.452 399 HG3 ARG 51 HG3 ARG 51 -19.603 0.841 -0.982 400 HD2 ARG 51 HD2 ARG 51 -21.586 -0.397 -1.983 401 HD3 ARG 51 HD3 ARG 51 -22.558 0.302 -0.670 402 HE ARG 51 HE ARG 51 -21.287 2.482 -1.600 403 HH11 ARG 51 HH11 ARG 51 -23.304 0.084 -3.200 404 HH12 ARG 51 HH12 ARG 51 -23.874 1.164 -4.415 405 HH21 ARG 51 HH21 ARG 51 -21.668 3.806 -3.457 406 HH22 ARG 51 HH22 ARG 51 -22.858 3.290 -4.619 407 H THR 52 H THR 52 -18.467 -3.804 -0.334 408 HA THR 52 HA THR 52 -17.648 -4.212 2.510 409 HB THR 52 HB THR 52 -18.534 -6.598 1.040 410 HG1 THR 52 HG1 THR 52 -20.072 -4.919 0.319 411 HG21 THR 52 HG21 THR 52 -19.662 -6.981 3.175 412 HG22 THR 52 HG22 THR 52 -19.344 -5.310 3.685 413 HG23 THR 52 HG23 THR 52 -18.010 -6.459 3.479 414 H GLY 53 H GLY 53 -16.417 -4.432 -0.739 415 HA2 GLY 53 HA2 GLY 53 -14.413 -6.441 -0.084 416 HA3 GLY 53 HA3 GLY 53 -14.542 -5.519 -1.572 417 H ILE 54 H ILE 54 -14.643 -2.885 -0.005 418 HA ILE 54 HA ILE 54 -11.967 -2.189 -0.139 419 HB ILE 54 HB ILE 54 -13.789 -0.606 -0.145 420 HG12 ILE 54 HG12 ILE 54 -12.849 1.088 1.580 421 HG13 ILE 54 HG13 ILE 54 -11.720 -0.165 2.037 422 HG21 ILE 54 HG21 ILE 54 -14.122 -1.070 2.827 423 HG22 ILE 54 HG22 ILE 54 -14.989 0.113 1.837 424 HG23 ILE 54 HG23 ILE 54 -15.257 -1.601 1.554 425 HD11 ILE 54 HD11 ILE 54 -11.065 -0.246 -0.482 426 HD12 ILE 54 HD12 ILE 54 -11.974 1.251 -0.624 427 HD13 ILE 54 HD13 ILE 54 -10.585 1.172 0.476 428 H GLN 55 H GLN 55 -13.745 -3.464 2.662 429 HA GLN 55 HA GLN 55 -11.709 -3.176 4.611 430 HB2 GLN 55 HB2 GLN 55 -13.999 -3.555 5.157 431 HB3 GLN 55 HB3 GLN 55 -14.044 -5.113 4.324 432 HG2 GLN 55 HG2 GLN 55 -12.239 -4.527 6.696 433 HG3 GLN 55 HG3 GLN 55 -13.916 -5.051 6.879 434 HE21 GLN 55 HE21 GLN 55 -10.701 -6.157 6.452 435 HE22 GLN 55 HE22 GLN 55 -11.014 -7.777 6.036 436 H ARG 56 H ARG 56 -12.542 -6.129 2.665 437 HA ARG 56 HA ARG 56 -10.222 -7.590 3.410 438 HB2 ARG 56 HB2 ARG 56 -12.134 -7.802 1.096 439 HB3 ARG 56 HB3 ARG 56 -10.566 -8.604 0.986 440 HG2 ARG 56 HG2 ARG 56 -11.055 -9.526 3.384 441 HG3 ARG 56 HG3 ARG 56 -12.748 -9.116 3.044 442 HD2 ARG 56 HD2 ARG 56 -12.723 -10.594 1.088 443 HD3 ARG 56 HD3 ARG 56 -10.949 -10.715 1.195 444 HE ARG 56 HE ARG 56 -11.850 -11.645 3.638 445 HH11 ARG 56 HH11 ARG 56 -12.429 -12.694 0.317 446 HH12 ARG 56 HH12 ARG 56 -12.109 -14.362 0.665 447 HH21 ARG 56 HH21 ARG 56 -11.612 -13.725 4.145 448 HH22 ARG 56 HH22 ARG 56 -11.817 -15.014 3.020 449 H ARG 57 H ARG 57 -10.617 -5.216 0.760 450 HA ARG 57 HA ARG 57 -8.063 -5.670 -0.447 451 HB2 ARG 57 HB2 ARG 57 -9.858 -3.234 -0.248 452 HB3 ARG 57 HB3 ARG 57 -8.336 -3.209 -1.139 453 HG2 ARG 57 HG2 ARG 57 -9.173 -4.883 -2.697 454 HG3 ARG 57 HG3 ARG 57 -10.653 -5.103 -1.760 455 HD2 ARG 57 HD2 ARG 57 -11.486 -2.959 -2.271 456 HD3 ARG 57 HD3 ARG 57 -9.880 -2.329 -2.679 457 HE ARG 57 HE ARG 57 -10.838 -4.444 -4.435 458 HH11 ARG 57 HH11 ARG 57 -11.280 -1.002 -3.896 459 HH12 ARG 57 HH12 ARG 57 -10.721 -0.477 -5.460 460 HH21 ARG 57 HH21 ARG 57 -10.458 -3.822 -6.690 461 HH22 ARG 57 HH22 ARG 57 -10.588 -2.156 -7.157 462 H MET 58 H MET 58 -9.083 -3.639 2.355 463 HA MET 58 HA MET 58 -6.490 -2.515 2.813 464 HB2 MET 58 HB2 MET 58 -9.104 -2.655 4.326 465 HB3 MET 58 HB3 MET 58 -7.643 -2.494 5.298 466 HG2 MET 58 HG2 MET 58 -6.975 -0.527 4.040 467 HG3 MET 58 HG3 MET 58 -8.458 -0.612 3.080 468 HE1 MET 58 HE1 MET 58 -11.173 0.846 5.195 469 HE2 MET 58 HE2 MET 58 -10.358 0.995 3.624 470 HE3 MET 58 HE3 MET 58 -10.887 -0.611 4.217 471 H ASP 59 H ASP 59 -8.247 -5.316 4.305 472 HA ASP 59 HA ASP 59 -6.345 -6.191 6.120 473 HB2 ASP 59 HB2 ASP 59 -8.291 -7.723 4.444 474 HB3 ASP 59 HB3 ASP 59 -7.121 -8.576 5.429 475 H ILE 60 H ILE 60 -6.609 -7.075 2.669 476 HA ILE 60 HA ILE 60 -4.338 -8.755 2.521 477 HB ILE 60 HB ILE 60 -5.948 -7.206 0.460 478 HG12 ILE 60 HG12 ILE 60 -5.791 -10.222 0.926 479 HG13 ILE 60 HG13 ILE 60 -6.930 -9.204 1.795 480 HG21 ILE 60 HG21 ILE 60 -3.692 -7.566 -0.532 481 HG22 ILE 60 HG22 ILE 60 -3.829 -9.304 -0.187 482 HG23 ILE 60 HG23 ILE 60 -4.936 -8.505 -1.329 483 HD11 ILE 60 HD11 ILE 60 -7.914 -8.450 -0.374 484 HD12 ILE 60 HD12 ILE 60 -6.866 -9.619 -1.216 485 HD13 ILE 60 HD13 ILE 60 -8.082 -10.188 -0.063 486 H ALA 61 H ALA 61 -4.547 -5.235 2.404 487 HA ALA 61 HA ALA 61 -1.775 -4.991 1.419 488 HB1 ALA 61 HB1 ALA 61 -3.705 -2.872 2.488 489 HB2 ALA 61 HB2 ALA 61 -2.163 -2.587 1.662 490 HB3 ALA 61 HB3 ALA 61 -3.517 -3.316 0.775 491 H LEU 62 H LEU 62 -3.639 -4.747 4.457 492 HA LEU 62 HA LEU 62 -1.474 -3.783 6.107 493 HB2 LEU 62 HB2 LEU 62 -4.082 -5.229 6.693 494 HB3 LEU 62 HB3 LEU 62 -2.973 -4.759 7.983 495 HG LEU 62 HG LEU 62 -4.042 -2.735 5.975 496 HD11 LEU 62 HD11 LEU 62 -5.274 -3.568 8.644 497 HD12 LEU 62 HD12 LEU 62 -5.969 -3.809 7.035 498 HD13 LEU 62 HD13 LEU 62 -5.776 -2.176 7.666 499 HD21 LEU 62 HD21 LEU 62 -1.990 -2.243 7.520 500 HD22 LEU 62 HD22 LEU 62 -3.166 -2.204 8.838 501 HD23 LEU 62 HD23 LEU 62 -3.306 -1.084 7.476 502 H LEU 63 H LEU 63 -2.513 -6.956 5.063 503 HA LEU 63 HA LEU 63 -0.980 -8.511 6.890 504 HB2 LEU 63 HB2 LEU 63 -2.249 -8.919 4.172 505 HB3 LEU 63 HB3 LEU 63 -1.135 -10.148 4.725 506 HG LEU 63 HG LEU 63 -3.453 -9.180 6.465 507 HD11 LEU 63 HD11 LEU 63 -3.424 -11.527 4.526 508 HD12 LEU 63 HD12 LEU 63 -4.393 -10.033 4.379 509 HD13 LEU 63 HD13 LEU 63 -4.711 -11.154 5.710 510 HD21 LEU 63 HD21 LEU 63 -3.150 -11.299 7.633 511 HD22 LEU 63 HD22 LEU 63 -1.604 -10.444 7.608 512 HD23 LEU 63 HD23 LEU 63 -1.881 -11.786 6.490 513 H GLN 64 H GLN 64 0.075 -6.411 4.395 514 HA GLN 64 HA GLN 64 2.548 -7.875 3.908 515 HB2 GLN 64 HB2 GLN 64 1.767 -5.195 2.743 516 HB3 GLN 64 HB3 GLN 64 2.950 -6.385 2.159 517 HG2 GLN 64 HG2 GLN 64 0.965 -8.013 1.917 518 HG3 GLN 64 HG3 GLN 64 -0.075 -6.630 2.214 519 HE21 GLN 64 HE21 GLN 64 -0.894 -7.503 0.158 520 HE22 GLN 64 HE22 GLN 64 -0.051 -7.093 -1.362 521 H HIS 65 H HIS 65 1.612 -6.164 6.530 522 HA HIS 65 HA HIS 65 3.716 -4.261 6.896 523 HB2 HIS 65 HB2 HIS 65 1.492 -4.343 8.079 524 HB3 HIS 65 HB3 HIS 65 2.062 -5.749 8.976 525 HD2 HIS 65 HD2 HIS 65 1.279 -3.824 10.923 526 HE1 HIS 65 HE1 HIS 65 4.933 -1.688 10.749 527 HE2 HIS 65 HE2 HIS 65 2.814 -2.038 12.079 528 H GLY 66 H GLY 66 5.738 -4.779 7.197 529 HA2 GLY 66 HA2 GLY 66 7.594 -5.831 8.208 530 HA3 GLY 66 HA3 GLY 66 6.561 -7.173 8.709 531 H THR 67 H THR 67 6.114 -6.466 5.274 532 HA THR 67 HA THR 67 7.347 -8.985 4.671 533 HB THR 67 HB THR 67 6.976 -8.228 2.269 534 HG1 THR 67 HG1 THR 67 5.691 -6.404 1.972 535 HG21 THR 67 HG21 THR 67 4.670 -8.328 4.247 536 HG22 THR 67 HG22 THR 67 5.399 -9.677 3.378 537 HG23 THR 67 HG23 THR 67 4.488 -8.452 2.476 538 H LEU 68 H LEU 68 9.220 -9.439 3.559 539 HA LEU 68 HA LEU 68 11.343 -7.373 3.762 540 HB2 LEU 68 HB2 LEU 68 11.377 -10.348 3.207 541 HB3 LEU 68 HB3 LEU 68 12.801 -9.324 3.101 542 HG LEU 68 HG LEU 68 11.195 -9.619 5.683 543 HD11 LEU 68 HD11 LEU 68 12.030 -11.794 5.000 544 HD12 LEU 68 HD12 LEU 68 13.067 -11.185 6.313 545 HD13 LEU 68 HD13 LEU 68 13.605 -11.093 4.610 546 HD21 LEU 68 HD21 LEU 68 13.289 -8.796 6.724 547 HD22 LEU 68 HD22 LEU 68 12.673 -7.620 5.563 548 HD23 LEU 68 HD23 LEU 68 14.049 -8.652 5.128 549 H LEU 69 H LEU 69 11.207 -6.143 2.012 550 HA LEU 69 HA LEU 69 10.609 -7.358 -0.669 551 HB2 LEU 69 HB2 LEU 69 9.589 -4.991 0.720 552 HB3 LEU 69 HB3 LEU 69 10.389 -4.507 -0.769 553 HG LEU 69 HG LEU 69 8.545 -6.904 -0.888 554 HD11 LEU 69 HD11 LEU 69 7.518 -4.053 -0.812 555 HD12 LEU 69 HD12 LEU 69 7.292 -5.299 0.446 556 HD13 LEU 69 HD13 LEU 69 6.581 -5.529 -1.136 557 HD21 LEU 69 HD21 LEU 69 9.024 -4.554 -2.785 558 HD22 LEU 69 HD22 LEU 69 8.103 -6.026 -3.138 559 HD23 LEU 69 HD23 LEU 69 9.849 -6.122 -2.884 560 H LYS 70 H LYS 70 12.404 -7.708 -1.723 561 HA LYS 70 HA LYS 70 14.614 -7.656 -2.311 562 HB2 LYS 70 HB2 LYS 70 14.162 -4.678 -2.285 563 HB3 LYS 70 HB3 LYS 70 15.453 -5.525 -3.130 564 HG2 LYS 70 HG2 LYS 70 14.085 -5.827 -4.919 565 HG3 LYS 70 HG3 LYS 70 13.082 -6.863 -3.960 566 HD2 LYS 70 HD2 LYS 70 11.542 -5.292 -4.689 567 HD3 LYS 70 HD3 LYS 70 11.946 -4.662 -3.111 568 HE2 LYS 70 HE2 LYS 70 11.961 -2.820 -4.645 569 HE3 LYS 70 HE3 LYS 70 13.647 -3.161 -4.183 570 HZ1 LYS 70 HZ1 LYS 70 12.342 -3.799 -6.769 571 HZ2 LYS 70 HZ2 LYS 70 13.802 -4.406 -6.337 572 HZ3 LYS 70 HZ3 LYS 70 13.612 -2.796 -6.499 573 H GLU 71 H GLU 71 14.369 -8.286 0.104 574 HA GLU 71 HA GLU 71 15.332 -8.616 2.124 575 HB2 GLU 71 HB2 GLU 71 17.819 -7.314 0.974 576 HB3 GLU 71 HB3 GLU 71 17.693 -8.482 2.299 577 HG2 GLU 71 HG2 GLU 71 16.500 -10.001 0.503 578 HG3 GLU 71 HG3 GLU 71 17.262 -8.922 -0.670 579 H LYS 72 H LYS 72 13.786 -6.191 1.911 580 HA LYS 72 HA LYS 72 14.967 -4.730 4.202 581 HB2 LYS 72 HB2 LYS 72 14.079 -3.602 1.590 582 HB3 LYS 72 HB3 LYS 72 13.596 -2.714 3.029 583 HG2 LYS 72 HG2 LYS 72 16.475 -3.579 2.495 584 HG3 LYS 72 HG3 LYS 72 15.803 -2.015 2.010 585 HD2 LYS 72 HD2 LYS 72 15.212 -1.506 4.345 586 HD3 LYS 72 HD3 LYS 72 15.945 -3.018 4.896 587 HE2 LYS 72 HE2 LYS 72 18.125 -2.373 4.228 588 HE3 LYS 72 HE3 LYS 72 17.523 -1.025 3.258 589 HZ1 LYS 72 HZ1 LYS 72 16.894 0.124 5.202 590 HZ2 LYS 72 HZ2 LYS 72 18.459 -0.396 5.459 591 HZ3 LYS 72 HZ3 LYS 72 17.222 -1.141 6.198 592 H LYS 73 H LYS 73 13.768 -4.902 5.919 593 HA LYS 73 HA LYS 73 11.084 -5.970 5.886 594 HB2 LYS 73 HB2 LYS 73 12.961 -6.100 7.737 595 HB3 LYS 73 HB3 LYS 73 12.447 -4.466 8.128 596 HG2 LYS 73 HG2 LYS 73 11.270 -5.678 9.667 597 HG3 LYS 73 HG3 LYS 73 10.059 -5.447 8.397 598 HD2 LYS 73 HD2 LYS 73 10.611 -7.719 7.511 599 HD3 LYS 73 HD3 LYS 73 11.830 -7.913 8.782 600 HE2 LYS 73 HE2 LYS 73 10.150 -7.771 10.532 601 HE3 LYS 73 HE3 LYS 73 8.882 -7.377 9.353 602 HZ1 LYS 73 HZ1 LYS 73 9.157 -9.552 8.385 603 HZ2 LYS 73 HZ2 LYS 73 8.837 -9.716 9.969 604 HZ3 LYS 73 HZ3 LYS 73 10.387 -9.908 9.439 605 H ILE 74 H ILE 74 9.596 -4.664 4.908 606 HA ILE 74 HA ILE 74 9.587 -1.754 5.557 607 HB ILE 74 HB ILE 74 8.156 -1.369 3.798 608 HG12 ILE 74 HG12 ILE 74 7.965 -4.324 3.146 609 HG13 ILE 74 HG13 ILE 74 6.689 -3.360 3.888 610 HG21 ILE 74 HG21 ILE 74 10.660 -1.752 3.415 611 HG22 ILE 74 HG22 ILE 74 10.209 -3.308 2.696 612 HG23 ILE 74 HG23 ILE 74 9.636 -1.806 1.970 613 HD11 ILE 74 HD11 ILE 74 7.893 -2.864 1.130 614 HD12 ILE 74 HD12 ILE 74 6.289 -3.490 1.483 615 HD13 ILE 74 HD13 ILE 74 6.693 -1.822 1.920 616 H ASN 75 H ASN 75 7.437 -0.763 5.945 617 HA ASN 75 HA ASN 75 5.719 -2.474 7.744 618 HB2 ASN 75 HB2 ASN 75 5.433 -0.233 9.024 619 HB3 ASN 75 HB3 ASN 75 6.911 -1.162 9.314 620 HD21 ASN 75 HD21 ASN 75 5.501 1.723 7.743 621 HD22 ASN 75 HD22 ASN 75 7.016 2.502 7.399 622 H VAL 76 H VAL 76 3.531 -1.804 8.036 623 HA VAL 76 HA VAL 76 2.469 0.061 5.996 624 HB VAL 76 HB VAL 76 1.489 -2.755 6.615 625 HG11 VAL 76 HG11 VAL 76 -0.084 -2.344 4.665 626 HG12 VAL 76 HG12 VAL 76 -0.437 -1.345 6.066 627 HG13 VAL 76 HG13 VAL 76 0.441 -0.654 4.690 628 HG21 VAL 76 HG21 VAL 76 3.493 -2.751 5.105 629 HG22 VAL 76 HG22 VAL 76 2.009 -3.418 4.403 630 HG23 VAL 76 HG23 VAL 76 2.522 -1.787 3.955 631 H GLU 77 H GLU 77 0.421 1.067 6.650 632 HA GLU 77 HA GLU 77 -0.990 0.268 8.998 633 HB2 GLU 77 HB2 GLU 77 -0.663 2.371 10.275 634 HB3 GLU 77 HB3 GLU 77 0.706 1.269 10.305 635 HG2 GLU 77 HG2 GLU 77 1.753 2.764 8.570 636 HG3 GLU 77 HG3 GLU 77 0.368 3.875 8.792 637 H LEU 78 H LEU 78 -2.619 2.129 9.587 638 HA LEU 78 HA LEU 78 -3.977 2.901 7.068 639 HB2 LEU 78 HB2 LEU 78 -4.739 2.257 9.872 640 HB3 LEU 78 HB3 LEU 78 -5.554 3.664 9.276 641 HG LEU 78 HG LEU 78 -6.818 1.582 9.012 642 HD11 LEU 78 HD11 LEU 78 -6.189 3.045 6.416 643 HD12 LEU 78 HD12 LEU 78 -7.330 3.550 7.697 644 HD13 LEU 78 HD13 LEU 78 -7.641 2.090 6.771 645 HD21 LEU 78 HD21 LEU 78 -5.048 0.032 8.428 646 HD22 LEU 78 HD22 LEU 78 -4.784 0.850 6.864 647 HD23 LEU 78 HD23 LEU 78 -6.319 0.030 7.194 648 H THR 79 H THR 79 -4.533 4.990 6.591 649 HA THR 79 HA THR 79 -3.743 7.185 8.433 650 HB THR 79 HB THR 79 -1.761 6.924 7.307 651 HG1 THR 79 HG1 THR 79 -3.127 8.828 5.796 652 HG21 THR 79 HG21 THR 79 -2.035 5.364 5.685 653 HG22 THR 79 HG22 THR 79 -1.409 6.811 4.860 654 HG23 THR 79 HG23 THR 79 -3.126 6.369 4.770 655 H VAL 80 H VAL 80 -6.070 7.464 8.649 656 HA VAL 80 HA VAL 80 -7.139 9.304 6.700 657 HB VAL 80 HB VAL 80 -7.858 7.514 5.453 658 HG11 VAL 80 HG11 VAL 80 -7.152 5.624 6.723 659 HG12 VAL 80 HG12 VAL 80 -8.416 5.899 7.957 660 HG13 VAL 80 HG13 VAL 80 -8.840 5.410 6.304 661 HG21 VAL 80 HG21 VAL 80 -10.232 7.214 5.640 662 HG22 VAL 80 HG22 VAL 80 -10.229 7.715 7.335 663 HG23 VAL 80 HG23 VAL 80 -9.821 8.880 6.053 664 H GLY 81 H GLY 81 -9.332 10.214 7.678 665 HA2 GLY 81 HA2 GLY 81 -9.589 9.698 10.568 666 HA3 GLY 81 HA3 GLY 81 -9.007 11.292 10.104 667 H GLY 82 H GLY 82 -11.742 9.213 10.376 668 HA2 GLY 82 HA2 GLY 82 -13.953 9.943 10.645 669 HA3 GLY 82 HA3 GLY 82 -13.588 11.455 9.811 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -13.889 8.124 5.653 2 HA2 GLY 1 HA2 GLY 1 -15.538 9.424 4.298 3 HA3 GLY 1 HA3 GLY 1 -14.117 10.215 3.575 4 H ASN 2 H ASN 2 -15.292 9.176 1.521 5 HA ASN 2 HA ASN 2 -15.119 6.325 1.296 6 HB2 ASN 2 HB2 ASN 2 -15.854 6.550 -0.942 7 HB3 ASN 2 HB3 ASN 2 -16.621 7.926 -0.140 8 HD21 ASN 2 HD21 ASN 2 -14.547 6.970 -2.813 9 HD22 ASN 2 HD22 ASN 2 -13.796 8.509 -3.084 10 H ARG 3 H ARG 3 -12.695 8.499 1.171 11 HA ARG 3 HA ARG 3 -11.001 6.653 -0.493 12 HB2 ARG 3 HB2 ARG 3 -11.660 8.988 -1.315 13 HB3 ARG 3 HB3 ARG 3 -10.371 9.546 -0.256 14 HG2 ARG 3 HG2 ARG 3 -10.058 7.507 -2.498 15 HG3 ARG 3 HG3 ARG 3 -9.782 9.237 -2.656 16 HD2 ARG 3 HD2 ARG 3 -8.209 8.577 -0.434 17 HD3 ARG 3 HD3 ARG 3 -8.082 7.158 -1.480 18 HE ARG 3 HE ARG 3 -7.008 8.460 -3.137 19 HH11 ARG 3 HH11 ARG 3 -8.144 10.736 -0.575 20 HH12 ARG 3 HH12 ARG 3 -7.301 12.051 -1.333 21 HH21 ARG 3 HH21 ARG 3 -5.819 10.141 -3.865 22 HH22 ARG 3 HH22 ARG 3 -5.927 11.742 -3.197 23 H PHE 4 H PHE 4 -9.997 5.489 0.731 24 HA PHE 4 HA PHE 4 -8.582 6.285 3.236 25 HB2 PHE 4 HB2 PHE 4 -9.531 3.642 2.041 26 HB3 PHE 4 HB3 PHE 4 -8.293 3.654 3.232 27 HD1 PHE 4 HD2 PHE 4 -11.786 5.043 2.786 28 HD2 PHE 4 HD1 PHE 4 -8.922 3.245 5.443 29 HE1 PHE 4 HE2 PHE 4 -13.453 5.052 4.630 30 HE2 PHE 4 HE1 PHE 4 -10.551 3.312 7.265 31 HZ PHE 4 HZ PHE 4 -12.844 4.193 6.864 32 H ILE 5 H ILE 5 -6.390 5.673 3.542 33 HA ILE 5 HA ILE 5 -4.823 5.024 1.150 34 HB ILE 5 HB ILE 5 -3.990 7.281 3.033 35 HG12 ILE 5 HG12 ILE 5 -4.440 8.561 0.692 36 HG13 ILE 5 HG13 ILE 5 -5.748 7.425 0.585 37 HG21 ILE 5 HG21 ILE 5 -2.920 6.366 0.342 38 HG22 ILE 5 HG22 ILE 5 -2.407 7.817 1.231 39 HG23 ILE 5 HG23 ILE 5 -2.117 6.232 1.935 40 HD11 ILE 5 HD11 ILE 5 -6.524 8.270 2.841 41 HD12 ILE 5 HD12 ILE 5 -5.119 9.367 2.846 42 HD13 ILE 5 HD13 ILE 5 -6.391 9.565 1.624 43 H VAL 6 H VAL 6 -2.893 3.870 1.625 44 HA VAL 6 HA VAL 6 -2.610 2.918 4.443 45 HB VAL 6 HB VAL 6 -2.032 1.499 1.815 46 HG11 VAL 6 HG11 VAL 6 -1.721 0.523 4.689 47 HG12 VAL 6 HG12 VAL 6 -1.479 -0.453 3.221 48 HG13 VAL 6 HG13 VAL 6 -0.388 0.887 3.585 49 HG21 VAL 6 HG21 VAL 6 -4.036 0.906 4.040 50 HG22 VAL 6 HG22 VAL 6 -4.460 1.601 2.472 51 HG23 VAL 6 HG23 VAL 6 -3.811 -0.049 2.564 52 H PHE 7 H PHE 7 -0.744 3.256 5.404 53 HA PHE 7 HA PHE 7 1.332 4.906 4.107 54 HB2 PHE 7 HB2 PHE 7 0.365 5.585 6.347 55 HB3 PHE 7 HB3 PHE 7 0.831 4.053 7.010 56 HD1 PHE 7 HD2 PHE 7 2.425 6.889 5.070 57 HD2 PHE 7 HD1 PHE 7 2.812 4.055 8.296 58 HE1 PHE 7 HE2 PHE 7 4.648 7.769 5.574 59 HE2 PHE 7 HE1 PHE 7 5.019 4.954 8.832 60 HZ PHE 7 HZ PHE 7 5.965 6.798 7.485 61 H VAL 8 H VAL 8 2.885 3.601 3.088 62 HA VAL 8 HA VAL 8 3.671 1.112 4.529 63 HB VAL 8 HB VAL 8 3.911 1.588 1.543 64 HG11 VAL 8 HG11 VAL 8 3.877 -1.050 3.048 65 HG12 VAL 8 HG12 VAL 8 4.435 -0.729 1.393 66 HG13 VAL 8 HG13 VAL 8 5.366 -0.174 2.802 67 HG21 VAL 8 HG21 VAL 8 1.702 0.172 3.090 68 HG22 VAL 8 HG22 VAL 8 1.521 1.537 1.964 69 HG23 VAL 8 HG23 VAL 8 1.992 -0.058 1.359 70 H GLY 9 H GLY 9 5.852 1.219 5.279 71 HA2 GLY 9 HA2 GLY 9 7.616 3.173 3.914 72 HA3 GLY 9 HA3 GLY 9 7.447 3.326 5.630 73 H SER 10 H SER 10 9.856 3.029 5.074 74 HA SER 10 HA SER 10 11.768 1.911 5.336 75 HB2 SER 10 HB2 SER 10 9.933 0.326 6.847 76 HB3 SER 10 HB3 SER 10 10.902 -0.801 5.898 77 HG SER 10 HG SER 10 12.116 -0.362 7.695 78 H LEU 11 H LEU 11 10.136 1.879 2.798 79 HA LEU 11 HA LEU 11 10.643 -0.491 1.362 80 HB2 LEU 11 HB2 LEU 11 10.096 2.372 0.533 81 HB3 LEU 11 HB3 LEU 11 10.479 1.145 -0.670 82 HG LEU 11 HG LEU 11 8.602 -0.237 -0.035 83 HD11 LEU 11 HD11 LEU 11 6.819 0.701 1.517 84 HD12 LEU 11 HD12 LEU 11 7.986 1.890 2.091 85 HD13 LEU 11 HD13 LEU 11 8.261 0.148 2.351 86 HD21 LEU 11 HD21 LEU 11 7.733 2.671 -0.296 87 HD22 LEU 11 HD22 LEU 11 6.774 1.239 -0.732 88 HD23 LEU 11 HD23 LEU 11 8.226 1.623 -1.641 89 HA PRO 12 HA PRO 12 14.955 -0.445 0.609 90 HB2 PRO 12 HB2 PRO 12 15.094 -1.617 -1.941 91 HB3 PRO 12 HB3 PRO 12 14.856 -2.498 -0.430 92 HG2 PRO 12 HG2 PRO 12 12.805 -1.643 -2.434 93 HG3 PRO 12 HG3 PRO 12 12.880 -3.166 -1.521 94 HD2 PRO 12 HD2 PRO 12 11.222 -1.140 -0.777 95 HD3 PRO 12 HD3 PRO 12 12.003 -2.186 0.422 96 H ARG 13 H ARG 13 16.674 0.438 -0.508 97 HA ARG 13 HA ARG 13 16.341 3.006 -1.624 98 HB2 ARG 13 HB2 ARG 13 18.492 1.318 -0.818 99 HB3 ARG 13 HB3 ARG 13 18.804 1.728 -2.486 100 HG2 ARG 13 HG2 ARG 13 18.209 3.785 -0.330 101 HG3 ARG 13 HG3 ARG 13 19.832 3.219 -0.762 102 HD2 ARG 13 HD2 ARG 13 19.475 3.962 -3.097 103 HD3 ARG 13 HD3 ARG 13 17.918 4.675 -2.619 104 HE ARG 13 HE ARG 13 19.771 5.691 -0.832 105 HH11 ARG 13 HH11 ARG 13 19.425 5.778 -4.374 106 HH12 ARG 13 HH12 ARG 13 20.418 7.205 -4.556 107 HH21 ARG 13 HH21 ARG 13 21.128 7.528 -1.118 108 HH22 ARG 13 HH22 ARG 13 21.255 8.290 -2.680 109 H ASP 14 H ASP 14 16.370 -0.109 -3.212 110 HA ASP 14 HA ASP 14 16.359 1.176 -5.888 111 HB2 ASP 14 HB2 ASP 14 18.062 -0.703 -5.110 112 HB3 ASP 14 HB3 ASP 14 16.737 -1.678 -5.739 113 H ILE 15 H ILE 15 14.004 0.886 -3.953 114 HA ILE 15 HA ILE 15 12.233 -1.073 -4.917 115 HB ILE 15 HB ILE 15 11.920 0.252 -2.838 116 HG12 ILE 15 HG12 ILE 15 9.470 0.700 -3.117 117 HG13 ILE 15 HG13 ILE 15 9.634 0.339 -4.823 118 HG21 ILE 15 HG21 ILE 15 11.018 2.521 -4.616 119 HG22 ILE 15 HG22 ILE 15 11.122 2.490 -2.835 120 HG23 ILE 15 HG23 ILE 15 12.592 2.479 -3.797 121 HD11 ILE 15 HD11 ILE 15 10.399 -1.979 -4.207 122 HD12 ILE 15 HD12 ILE 15 10.099 -1.560 -2.498 123 HD13 ILE 15 HD13 ILE 15 8.777 -1.592 -3.649 124 H THR 16 H THR 16 10.598 -1.090 -6.611 125 HA THR 16 HA THR 16 10.655 1.149 -8.533 126 HB THR 16 HB THR 16 10.354 -0.704 -10.276 127 HG1 THR 16 HG1 THR 16 11.241 -2.654 -9.793 128 HG21 THR 16 HG21 THR 16 12.730 -0.952 -10.627 129 HG22 THR 16 HG22 THR 16 13.091 -0.473 -8.951 130 HG23 THR 16 HG23 THR 16 12.387 0.689 -10.101 131 H ALA 17 H ALA 17 8.698 1.411 -9.722 132 HA ALA 17 HA ALA 17 6.308 1.106 -8.244 133 HB1 ALA 17 HB1 ALA 17 6.598 2.823 -9.996 134 HB2 ALA 17 HB2 ALA 17 6.810 1.569 -11.222 135 HB3 ALA 17 HB3 ALA 17 5.240 1.770 -10.406 136 H VAL 18 H VAL 18 7.932 -0.919 -10.620 137 HA VAL 18 HA VAL 18 5.845 -2.653 -11.297 138 HB VAL 18 HB VAL 18 8.803 -3.410 -10.975 139 HG11 VAL 18 HG11 VAL 18 8.445 -4.946 -12.812 140 HG12 VAL 18 HG12 VAL 18 7.265 -5.283 -11.549 141 HG13 VAL 18 HG13 VAL 18 6.763 -4.395 -13.008 142 HG21 VAL 18 HG21 VAL 18 7.546 -1.828 -13.234 143 HG22 VAL 18 HG22 VAL 18 8.931 -1.369 -12.214 144 HG23 VAL 18 HG23 VAL 18 9.105 -2.676 -13.373 145 H GLU 19 H GLU 19 8.268 -2.864 -8.660 146 HA GLU 19 HA GLU 19 7.236 -5.333 -7.603 147 HB2 GLU 19 HB2 GLU 19 9.206 -3.226 -6.699 148 HB3 GLU 19 HB3 GLU 19 8.690 -4.484 -5.570 149 HG2 GLU 19 HG2 GLU 19 9.560 -5.306 -8.360 150 HG3 GLU 19 HG3 GLU 19 10.780 -4.862 -7.195 151 H LEU 20 H LEU 20 6.434 -1.940 -7.162 152 HA LEU 20 HA LEU 20 4.924 -2.285 -4.718 153 HB2 LEU 20 HB2 LEU 20 5.631 -0.141 -6.601 154 HB3 LEU 20 HB3 LEU 20 3.923 -0.074 -6.222 155 HG LEU 20 HG LEU 20 4.416 -0.011 -3.813 156 HD11 LEU 20 HD11 LEU 20 7.326 0.079 -4.743 157 HD12 LEU 20 HD12 LEU 20 6.585 -1.222 -3.799 158 HD13 LEU 20 HD13 LEU 20 6.768 0.361 -3.068 159 HD21 LEU 20 HD21 LEU 20 5.509 2.235 -3.803 160 HD22 LEU 20 HD22 LEU 20 4.250 2.098 -5.030 161 HD23 LEU 20 HD23 LEU 20 5.950 1.986 -5.532 162 H GLN 21 H GLN 21 4.039 -2.078 -8.213 163 HA GLN 21 HA GLN 21 1.258 -2.535 -7.812 164 HB2 GLN 21 HB2 GLN 21 3.196 -2.985 -10.097 165 HB3 GLN 21 HB3 GLN 21 1.494 -3.412 -10.265 166 HG2 GLN 21 HG2 GLN 21 2.308 -0.624 -9.356 167 HG3 GLN 21 HG3 GLN 21 2.337 -1.064 -11.051 168 HE21 GLN 21 HE21 GLN 21 0.632 0.355 -11.686 169 HE22 GLN 21 HE22 GLN 21 -1.024 0.077 -11.164 170 H ASN 22 H ASN 22 3.980 -4.766 -8.406 171 HA ASN 22 HA ASN 22 2.619 -7.190 -8.464 172 HB2 ASN 22 HB2 ASN 22 4.981 -7.008 -9.057 173 HB3 ASN 22 HB3 ASN 22 5.382 -6.403 -7.453 174 HD21 ASN 22 HD21 ASN 22 6.835 -7.954 -6.659 175 HD22 ASN 22 HD22 ASN 22 6.366 -9.608 -6.406 176 H HIS 23 H HIS 23 3.927 -5.602 -5.459 177 HA HIS 23 HA HIS 23 3.183 -7.771 -3.754 178 HB2 HIS 23 HB2 HIS 23 4.468 -5.263 -3.496 179 HB3 HIS 23 HB3 HIS 23 3.096 -5.158 -2.422 180 HD2 HIS 23 HD2 HIS 23 3.692 -5.912 -0.051 181 HE1 HIS 23 HE1 HIS 23 6.800 -8.690 -0.946 182 HE2 HIS 23 HE2 HIS 23 5.490 -7.531 0.958 183 H PHE 24 H PHE 24 1.603 -4.620 -4.270 184 HA PHE 24 HA PHE 24 -0.854 -5.393 -2.891 185 HB2 PHE 24 HB2 PHE 24 0.002 -2.864 -4.286 186 HB3 PHE 24 HB3 PHE 24 -1.421 -3.062 -3.276 187 HD1 PHE 24 HD1 PHE 24 -1.087 -3.833 -0.796 188 HD2 PHE 24 HD2 PHE 24 2.126 -2.359 -3.256 189 HE1 PHE 24 HE1 PHE 24 0.252 -3.355 1.231 190 HE2 PHE 24 HE2 PHE 24 3.432 -1.822 -1.244 191 HZ PHE 24 HZ PHE 24 2.520 -2.374 1.024 192 H LYS 25 H LYS 25 0.050 -6.451 -5.825 193 HA LYS 25 HA LYS 25 -2.024 -5.817 -7.482 194 HB2 LYS 25 HB2 LYS 25 -1.201 -7.508 -8.798 195 HB3 LYS 25 HB3 LYS 25 0.146 -7.165 -7.808 196 HG2 LYS 25 HG2 LYS 25 -0.343 -9.146 -6.394 197 HG3 LYS 25 HG3 LYS 25 -1.696 -9.557 -7.478 198 HD2 LYS 25 HD2 LYS 25 -0.178 -9.693 -9.380 199 HD3 LYS 25 HD3 LYS 25 1.197 -9.176 -8.394 200 HE2 LYS 25 HE2 LYS 25 0.898 -11.218 -6.968 201 HE3 LYS 25 HE3 LYS 25 -0.389 -11.754 -8.065 202 HZ1 LYS 25 HZ1 LYS 25 1.270 -11.715 -9.860 203 HZ2 LYS 25 HZ2 LYS 25 1.688 -12.764 -8.641 204 HZ3 LYS 25 HZ3 LYS 25 2.454 -11.344 -8.785 205 H ASN 26 H ASN 26 -1.978 -8.240 -4.853 206 HA ASN 26 HA ASN 26 -4.645 -9.203 -5.463 207 HB2 ASN 26 HB2 ASN 26 -2.587 -10.377 -4.267 208 HB3 ASN 26 HB3 ASN 26 -3.296 -9.701 -2.807 209 HD21 ASN 26 HD21 ASN 26 -5.927 -10.095 -2.878 210 HD22 ASN 26 HD22 ASN 26 -6.363 -11.744 -3.185 211 H SER 27 H SER 27 -3.527 -6.376 -3.718 212 HA SER 27 HA SER 27 -6.084 -6.210 -2.215 213 HB2 SER 27 HB2 SER 27 -4.887 -4.369 -0.987 214 HB3 SER 27 HB3 SER 27 -4.311 -6.011 -0.720 215 HG SER 27 HG SER 27 -3.176 -3.934 -2.207 216 H SER 28 H SER 28 -4.872 -5.362 -5.134 217 HA SER 28 HA SER 28 -5.252 -3.745 -6.702 218 HB2 SER 28 HB2 SER 28 -7.205 -5.270 -6.636 219 HB3 SER 28 HB3 SER 28 -8.045 -4.102 -5.599 220 HG SER 28 HG SER 28 -7.091 -3.728 -8.259 221 HA PRO 29 HA PRO 29 -5.484 0.090 -4.066 222 HB2 PRO 29 HB2 PRO 29 -3.269 1.350 -5.005 223 HB3 PRO 29 HB3 PRO 29 -3.185 0.068 -3.766 224 HG2 PRO 29 HG2 PRO 29 -2.785 -0.202 -6.767 225 HG3 PRO 29 HG3 PRO 29 -1.709 -0.815 -5.470 226 HD2 PRO 29 HD2 PRO 29 -3.549 -2.387 -6.716 227 HD3 PRO 29 HD3 PRO 29 -3.175 -2.590 -4.977 228 H ASP 30 H ASP 30 -6.017 2.203 -4.775 229 HA ASP 30 HA ASP 30 -7.229 2.343 -7.450 230 HB2 ASP 30 HB2 ASP 30 -8.544 3.167 -5.581 231 HB3 ASP 30 HB3 ASP 30 -7.220 4.196 -5.027 232 H GLN 31 H GLN 31 -4.843 4.056 -5.404 233 HA GLN 31 HA GLN 31 -3.362 4.797 -7.816 234 HB2 GLN 31 HB2 GLN 31 -4.795 6.738 -7.293 235 HB3 GLN 31 HB3 GLN 31 -4.135 6.759 -5.664 236 HG2 GLN 31 HG2 GLN 31 -3.170 8.548 -6.917 237 HG3 GLN 31 HG3 GLN 31 -1.917 7.379 -6.533 238 HE21 GLN 31 HE21 GLN 31 -2.587 9.441 -8.882 239 HE22 GLN 31 HE22 GLN 31 -2.149 8.503 -10.296 240 H ILE 32 H ILE 32 -1.103 5.306 -7.467 241 HA ILE 32 HA ILE 32 0.074 4.271 -4.958 242 HB ILE 32 HB ILE 32 0.717 3.522 -7.845 243 HG12 ILE 32 HG12 ILE 32 -0.156 1.619 -5.623 244 HG13 ILE 32 HG13 ILE 32 -1.303 2.327 -6.750 245 HG21 ILE 32 HG21 ILE 32 2.504 2.111 -7.094 246 HG22 ILE 32 HG22 ILE 32 2.788 3.675 -6.364 247 HG23 ILE 32 HG23 ILE 32 2.073 2.361 -5.398 248 HD11 ILE 32 HD11 ILE 32 -0.657 0.108 -7.479 249 HD12 ILE 32 HD12 ILE 32 -0.217 1.357 -8.663 250 HD13 ILE 32 HD13 ILE 32 1.024 0.604 -7.637 251 H ARG 33 H ARG 33 1.803 5.517 -4.287 252 HA ARG 33 HA ARG 33 3.245 7.338 -6.100 253 HB2 ARG 33 HB2 ARG 33 1.447 8.694 -5.176 254 HB3 ARG 33 HB3 ARG 33 1.831 8.207 -3.536 255 HG2 ARG 33 HG2 ARG 33 3.753 9.515 -3.438 256 HG3 ARG 33 HG3 ARG 33 4.042 9.373 -5.173 257 HD2 ARG 33 HD2 ARG 33 3.440 11.630 -4.750 258 HD3 ARG 33 HD3 ARG 33 2.120 10.875 -5.623 259 HE ARG 33 HE ARG 33 2.036 11.083 -2.644 260 HH11 ARG 33 HH11 ARG 33 0.393 11.821 -5.688 261 HH12 ARG 33 HH12 ARG 33 -0.699 12.911 -4.957 262 HH21 ARG 33 HH21 ARG 33 0.395 12.432 -1.705 263 HH22 ARG 33 HH22 ARG 33 -0.582 13.405 -2.759 264 H LEU 34 H LEU 34 5.322 6.464 -5.801 265 HA LEU 34 HA LEU 34 6.128 5.579 -3.076 266 HB2 LEU 34 HB2 LEU 34 6.447 4.072 -4.973 267 HB3 LEU 34 HB3 LEU 34 7.412 5.274 -5.795 268 HG LEU 34 HG LEU 34 8.529 3.197 -4.516 269 HD11 LEU 34 HD11 LEU 34 9.558 6.073 -4.527 270 HD12 LEU 34 HD12 LEU 34 9.757 4.828 -5.770 271 HD13 LEU 34 HD13 LEU 34 10.563 4.660 -4.188 272 HD21 LEU 34 HD21 LEU 34 9.244 3.587 -2.308 273 HD22 LEU 34 HD22 LEU 34 7.503 3.892 -2.289 274 HD23 LEU 34 HD23 LEU 34 8.662 5.238 -2.268 275 H ARG 35 H ARG 35 7.253 6.976 -1.830 276 HA ARG 35 HA ARG 35 8.636 9.327 -3.059 277 HB2 ARG 35 HB2 ARG 35 7.227 8.862 -0.409 278 HB3 ARG 35 HB3 ARG 35 8.290 10.241 -0.689 279 HG2 ARG 35 HG2 ARG 35 6.041 9.693 -2.667 280 HG3 ARG 35 HG3 ARG 35 5.661 10.378 -1.097 281 HD2 ARG 35 HD2 ARG 35 7.333 12.214 -1.512 282 HD3 ARG 35 HD3 ARG 35 7.653 11.523 -3.105 283 HE ARG 35 HE ARG 35 5.845 12.624 -3.898 284 HH11 ARG 35 HH11 ARG 35 5.293 12.312 -0.358 285 HH12 ARG 35 HH12 ARG 35 3.796 13.166 -0.418 286 HH21 ARG 35 HH21 ARG 35 4.034 13.877 -3.894 287 HH22 ARG 35 HH22 ARG 35 3.125 14.227 -2.455 288 H ALA 36 H ALA 36 10.462 8.106 -3.526 289 HA ALA 36 HA ALA 36 11.822 6.323 -1.831 290 HB1 ALA 36 HB1 ALA 36 13.745 6.719 -3.293 291 HB2 ALA 36 HB2 ALA 36 12.263 6.590 -4.250 292 HB3 ALA 36 HB3 ALA 36 12.985 8.186 -3.944 293 H ASP 37 H ASP 37 11.950 9.856 -1.955 294 HA ASP 37 HA ASP 37 14.219 10.414 -0.462 295 HB2 ASP 37 HB2 ASP 37 11.588 11.932 -0.371 296 HB3 ASP 37 HB3 ASP 37 13.171 12.564 0.073 297 H LYS 38 H LYS 38 11.331 8.943 0.733 298 HA LYS 38 HA LYS 38 12.373 9.064 3.499 299 HB2 LYS 38 HB2 LYS 38 9.618 9.825 2.581 300 HB3 LYS 38 HB3 LYS 38 9.841 9.128 4.188 301 HG2 LYS 38 HG2 LYS 38 11.363 11.593 3.280 302 HG3 LYS 38 HG3 LYS 38 9.775 11.621 4.056 303 HD2 LYS 38 HD2 LYS 38 10.684 10.410 6.030 304 HD3 LYS 38 HD3 LYS 38 12.278 10.381 5.274 305 HE2 LYS 38 HE2 LYS 38 12.237 12.114 6.920 306 HE3 LYS 38 HE3 LYS 38 12.376 12.852 5.324 307 HZ1 LYS 38 HZ1 LYS 38 9.784 12.616 6.746 308 HZ2 LYS 38 HZ2 LYS 38 10.129 13.525 5.436 309 HZ3 LYS 38 HZ3 LYS 38 10.803 13.925 6.875 310 H GLY 39 H GLY 39 11.603 7.163 0.895 311 HA2 GLY 39 HA2 GLY 39 11.412 4.918 0.614 312 HA3 GLY 39 HA3 GLY 39 11.938 4.721 2.295 313 H ILE 40 H ILE 40 9.003 6.448 1.103 314 HA ILE 40 HA ILE 40 7.311 4.396 2.330 315 HB ILE 40 HB ILE 40 5.796 6.479 2.887 316 HG12 ILE 40 HG12 ILE 40 8.460 7.763 3.186 317 HG13 ILE 40 HG13 ILE 40 7.523 8.015 1.704 318 HG21 ILE 40 HG21 ILE 40 8.193 5.586 4.501 319 HG22 ILE 40 HG22 ILE 40 7.028 6.755 5.143 320 HG23 ILE 40 HG23 ILE 40 6.472 5.157 4.694 321 HD11 ILE 40 HD11 ILE 40 5.657 8.977 3.024 322 HD12 ILE 40 HD12 ILE 40 6.652 8.856 4.495 323 HD13 ILE 40 HD13 ILE 40 7.159 9.907 3.165 324 H ALA 41 H ALA 41 5.063 4.556 1.600 325 HA ALA 41 HA ALA 41 4.746 5.704 -1.083 326 HB1 ALA 41 HB1 ALA 41 4.055 2.811 -0.415 327 HB2 ALA 41 HB2 ALA 41 3.992 3.601 -2.002 328 HB3 ALA 41 HB3 ALA 41 5.543 3.298 -1.247 329 H PHE 42 H PHE 42 2.503 5.894 -1.686 330 HA PHE 42 HA PHE 42 0.540 5.832 0.595 331 HB2 PHE 42 HB2 PHE 42 0.841 7.927 -1.599 332 HB3 PHE 42 HB3 PHE 42 -0.540 7.828 -0.540 333 HD1 PHE 42 HD1 PHE 42 -0.318 8.390 1.892 334 HD2 PHE 42 HD2 PHE 42 3.004 8.789 -0.839 335 HE1 PHE 42 HE1 PHE 42 0.800 9.935 3.479 336 HE2 PHE 42 HE2 PHE 42 4.141 10.299 0.790 337 HZ PHE 42 HZ PHE 42 3.020 10.894 2.919 338 H LEU 43 H LEU 43 -0.644 4.099 0.109 339 HA LEU 43 HA LEU 43 -1.425 3.617 -2.755 340 HB2 LEU 43 HB2 LEU 43 -1.257 1.748 -0.356 341 HB3 LEU 43 HB3 LEU 43 -2.194 1.399 -1.814 342 HG LEU 43 HG LEU 43 0.109 2.047 -3.044 343 HD11 LEU 43 HD11 LEU 43 2.059 1.180 -1.812 344 HD12 LEU 43 HD12 LEU 43 1.034 0.841 -0.413 345 HD13 LEU 43 HD13 LEU 43 1.343 2.518 -0.887 346 HD21 LEU 43 HD21 LEU 43 -1.001 -0.015 -3.418 347 HD22 LEU 43 HD22 LEU 43 -0.589 -0.614 -1.784 348 HD23 LEU 43 HD23 LEU 43 0.668 -0.355 -3.016 349 H GLU 44 H GLU 44 -3.284 4.518 -3.170 350 HA GLU 44 HA GLU 44 -5.190 5.173 -0.991 351 HB2 GLU 44 HB2 GLU 44 -5.023 5.866 -3.931 352 HB3 GLU 44 HB3 GLU 44 -6.284 6.457 -2.851 353 HG2 GLU 44 HG2 GLU 44 -4.749 7.738 -1.541 354 HG3 GLU 44 HG3 GLU 44 -3.334 6.946 -2.218 355 H PHE 45 H PHE 45 -7.456 4.619 -1.241 356 HA PHE 45 HA PHE 45 -8.176 2.441 -3.105 357 HB2 PHE 45 HB2 PHE 45 -8.582 2.348 -0.059 358 HB3 PHE 45 HB3 PHE 45 -9.200 1.219 -1.224 359 HD1 PHE 45 HD2 PHE 45 -5.870 2.600 -0.029 360 HD2 PHE 45 HD1 PHE 45 -8.065 -0.773 -1.595 361 HE1 PHE 45 HE2 PHE 45 -3.868 1.191 0.208 362 HE2 PHE 45 HE1 PHE 45 -6.094 -2.212 -1.182 363 HZ PHE 45 HZ PHE 45 -3.986 -1.239 -0.275 364 H ASP 46 H ASP 46 -10.301 2.787 -3.783 365 HA ASP 46 HA ASP 46 -11.816 5.011 -2.496 366 HB2 ASP 46 HB2 ASP 46 -11.542 5.549 -4.768 367 HB3 ASP 46 HB3 ASP 46 -11.880 3.900 -5.297 368 H ALA 47 H ALA 47 -13.467 4.381 -1.291 369 HA ALA 47 HA ALA 47 -14.091 1.608 -0.792 370 HB1 ALA 47 HB1 ALA 47 -14.121 3.334 1.006 371 HB2 ALA 47 HB2 ALA 47 -15.465 4.153 0.173 372 HB3 ALA 47 HB3 ALA 47 -15.682 2.527 0.843 373 H ASP 48 H ASP 48 -15.343 4.086 -2.935 374 HA ASP 48 HA ASP 48 -17.957 2.772 -3.186 375 HB2 ASP 48 HB2 ASP 48 -17.239 5.350 -3.340 376 HB3 ASP 48 HB3 ASP 48 -17.030 4.938 -5.046 377 H LYS 49 H LYS 49 -14.783 2.572 -4.552 378 HA LYS 49 HA LYS 49 -15.518 1.572 -7.144 379 HB2 LYS 49 HB2 LYS 49 -13.042 2.068 -5.676 380 HB3 LYS 49 HB3 LYS 49 -12.956 0.495 -6.441 381 HG2 LYS 49 HG2 LYS 49 -13.651 1.503 -8.599 382 HG3 LYS 49 HG3 LYS 49 -13.758 3.085 -7.799 383 HD2 LYS 49 HD2 LYS 49 -11.289 2.941 -7.310 384 HD3 LYS 49 HD3 LYS 49 -11.236 1.479 -8.333 385 HE2 LYS 49 HE2 LYS 49 -12.221 2.790 -10.217 386 HE3 LYS 49 HE3 LYS 49 -12.325 4.210 -9.176 387 HZ1 LYS 49 HZ1 LYS 49 -10.431 4.469 -10.455 388 HZ2 LYS 49 HZ2 LYS 49 -9.818 2.954 -10.135 389 HZ3 LYS 49 HZ3 LYS 49 -9.872 4.109 -8.984 390 H ASP 50 H ASP 50 -15.635 0.115 -4.037 391 HA ASP 50 HA ASP 50 -16.797 -2.273 -5.015 392 HB2 ASP 50 HB2 ASP 50 -14.384 -2.858 -5.482 393 HB3 ASP 50 HB3 ASP 50 -14.070 -2.738 -3.753 394 H ARG 51 H ARG 51 -18.335 -1.375 -3.644 395 HA ARG 51 HA ARG 51 -18.124 -0.418 -1.073 396 HB2 ARG 51 HB2 ARG 51 -20.194 -1.030 -2.850 397 HB3 ARG 51 HB3 ARG 51 -20.546 -2.090 -1.499 398 HG2 ARG 51 HG2 ARG 51 -20.103 0.914 -1.340 399 HG3 ARG 51 HG3 ARG 51 -21.678 0.139 -1.467 400 HD2 ARG 51 HD2 ARG 51 -21.152 -1.055 0.725 401 HD3 ARG 51 HD3 ARG 51 -19.762 0.020 0.873 402 HE ARG 51 HE ARG 51 -21.436 1.912 0.574 403 HH11 ARG 51 HH11 ARG 51 -22.727 -1.072 1.950 404 HH12 ARG 51 HH12 ARG 51 -23.322 -0.325 3.419 405 HH21 ARG 51 HH21 ARG 51 -22.877 2.942 2.032 406 HH22 ARG 51 HH22 ARG 51 -23.811 2.014 3.152 407 H THR 52 H THR 52 -18.117 -3.877 -1.991 408 HA THR 52 HA THR 52 -18.094 -4.535 0.920 409 HB THR 52 HB THR 52 -18.764 -6.758 0.251 410 HG1 THR 52 HG1 THR 52 -17.873 -7.056 -1.724 411 HG21 THR 52 HG21 THR 52 -20.505 -4.738 -1.243 412 HG22 THR 52 HG22 THR 52 -20.494 -4.929 0.523 413 HG23 THR 52 HG23 THR 52 -21.004 -6.268 -0.518 414 H GLY 53 H GLY 53 -16.062 -4.570 -1.966 415 HA2 GLY 53 HA2 GLY 53 -14.167 -6.435 -0.792 416 HA3 GLY 53 HA3 GLY 53 -14.032 -5.622 -2.337 417 H ILE 54 H ILE 54 -14.523 -2.947 -0.670 418 HA ILE 54 HA ILE 54 -11.879 -2.064 -0.491 419 HB ILE 54 HB ILE 54 -13.786 -0.578 -0.503 420 HG12 ILE 54 HG12 ILE 54 -13.302 0.950 1.450 421 HG13 ILE 54 HG13 ILE 54 -12.233 -0.283 2.088 422 HG21 ILE 54 HG21 ILE 54 -14.528 -1.592 2.287 423 HG22 ILE 54 HG22 ILE 54 -15.312 -0.275 1.396 424 HG23 ILE 54 HG23 ILE 54 -15.426 -1.921 0.790 425 HD11 ILE 54 HD11 ILE 54 -11.827 1.159 -0.530 426 HD12 ILE 54 HD12 ILE 54 -11.007 1.489 1.007 427 HD13 ILE 54 HD13 ILE 54 -10.741 -0.065 0.178 428 H GLN 55 H GLN 55 -13.846 -3.735 1.843 429 HA GLN 55 HA GLN 55 -12.304 -3.667 4.180 430 HB2 GLN 55 HB2 GLN 55 -14.648 -4.221 4.038 431 HB3 GLN 55 HB3 GLN 55 -14.357 -5.576 2.955 432 HG2 GLN 55 HG2 GLN 55 -14.957 -6.252 5.225 433 HG3 GLN 55 HG3 GLN 55 -13.381 -6.856 4.700 434 HE21 GLN 55 HE21 GLN 55 -11.475 -6.141 5.761 435 HE22 GLN 55 HE22 GLN 55 -11.492 -5.113 7.145 436 H ARG 56 H ARG 56 -12.592 -6.420 1.880 437 HA ARG 56 HA ARG 56 -10.393 -7.894 2.955 438 HB2 ARG 56 HB2 ARG 56 -11.580 -7.941 0.139 439 HB3 ARG 56 HB3 ARG 56 -10.411 -9.125 0.732 440 HG2 ARG 56 HG2 ARG 56 -13.108 -8.653 2.056 441 HG3 ARG 56 HG3 ARG 56 -12.859 -9.812 0.754 442 HD2 ARG 56 HD2 ARG 56 -11.319 -11.125 2.084 443 HD3 ARG 56 HD3 ARG 56 -11.333 -9.916 3.381 444 HE ARG 56 HE ARG 56 -13.895 -10.412 3.322 445 HH11 ARG 56 HH11 ARG 56 -11.117 -12.613 3.703 446 HH12 ARG 56 HH12 ARG 56 -11.996 -13.774 4.610 447 HH21 ARG 56 HH21 ARG 56 -15.137 -12.139 4.249 448 HH22 ARG 56 HH22 ARG 56 -14.324 -13.533 4.865 449 H ARG 57 H ARG 57 -10.508 -5.325 0.481 450 HA ARG 57 HA ARG 57 -7.824 -5.651 -0.477 451 HB2 ARG 57 HB2 ARG 57 -9.684 -3.242 -0.324 452 HB3 ARG 57 HB3 ARG 57 -8.081 -3.169 -1.026 453 HG2 ARG 57 HG2 ARG 57 -8.672 -4.809 -2.748 454 HG3 ARG 57 HG3 ARG 57 -10.250 -5.056 -2.017 455 HD2 ARG 57 HD2 ARG 57 -10.925 -2.765 -2.470 456 HD3 ARG 57 HD3 ARG 57 -9.279 -2.311 -2.893 457 HE ARG 57 HE ARG 57 -9.771 -2.727 -4.980 458 HH11 ARG 57 HH11 ARG 57 -11.711 -5.105 -3.171 459 HH12 ARG 57 HH12 ARG 57 -12.835 -5.339 -4.475 460 HH21 ARG 57 HH21 ARG 57 -10.990 -3.376 -6.787 461 HH22 ARG 57 HH22 ARG 57 -12.265 -4.547 -6.639 462 H MET 58 H MET 58 -9.214 -3.604 2.160 463 HA MET 58 HA MET 58 -6.810 -2.473 3.089 464 HB2 MET 58 HB2 MET 58 -9.605 -2.872 4.138 465 HB3 MET 58 HB3 MET 58 -8.339 -2.758 5.368 466 HG2 MET 58 HG2 MET 58 -7.511 -0.720 4.247 467 HG3 MET 58 HG3 MET 58 -8.922 -0.766 3.182 468 HE1 MET 58 HE1 MET 58 -11.264 1.397 4.862 469 HE2 MET 58 HE2 MET 58 -10.009 1.370 3.597 470 HE3 MET 58 HE3 MET 58 -11.145 -0.007 3.778 471 H ASP 59 H ASP 59 -8.518 -5.412 4.188 472 HA ASP 59 HA ASP 59 -6.748 -6.249 6.181 473 HB2 ASP 59 HB2 ASP 59 -8.347 -7.896 4.216 474 HB3 ASP 59 HB3 ASP 59 -7.606 -8.557 5.659 475 H ILE 60 H ILE 60 -6.633 -7.000 2.676 476 HA ILE 60 HA ILE 60 -4.314 -8.721 2.920 477 HB ILE 60 HB ILE 60 -5.712 -7.423 0.570 478 HG12 ILE 60 HG12 ILE 60 -5.530 -10.367 1.344 479 HG13 ILE 60 HG13 ILE 60 -6.783 -9.328 2.009 480 HG21 ILE 60 HG21 ILE 60 -3.477 -9.518 0.475 481 HG22 ILE 60 HG22 ILE 60 -4.406 -8.918 -0.916 482 HG23 ILE 60 HG23 ILE 60 -3.309 -7.840 -0.059 483 HD11 ILE 60 HD11 ILE 60 -6.407 -9.993 -0.918 484 HD12 ILE 60 HD12 ILE 60 -7.725 -10.484 0.158 485 HD13 ILE 60 HD13 ILE 60 -7.552 -8.785 -0.294 486 H ALA 61 H ALA 61 -4.793 -5.211 2.387 487 HA ALA 61 HA ALA 61 -2.056 -4.709 1.656 488 HB1 ALA 61 HB1 ALA 61 -2.570 -2.376 2.121 489 HB2 ALA 61 HB2 ALA 61 -3.932 -3.105 1.238 490 HB3 ALA 61 HB3 ALA 61 -4.052 -2.814 2.989 491 H LEU 62 H LEU 62 -3.893 -4.666 4.756 492 HA LEU 62 HA LEU 62 -1.791 -3.915 6.506 493 HB2 LEU 62 HB2 LEU 62 -4.274 -5.637 6.848 494 HB3 LEU 62 HB3 LEU 62 -3.137 -5.405 8.168 495 HG LEU 62 HG LEU 62 -4.600 -3.124 6.787 496 HD11 LEU 62 HD11 LEU 62 -6.188 -4.500 7.936 497 HD12 LEU 62 HD12 LEU 62 -5.869 -3.129 9.004 498 HD13 LEU 62 HD13 LEU 62 -5.134 -4.718 9.334 499 HD21 LEU 62 HD21 LEU 62 -3.849 -1.907 8.915 500 HD22 LEU 62 HD22 LEU 62 -2.589 -2.244 7.739 501 HD23 LEU 62 HD23 LEU 62 -2.710 -3.255 9.179 502 H LEU 63 H LEU 63 -2.506 -7.095 5.047 503 HA LEU 63 HA LEU 63 -0.797 -8.585 6.810 504 HB2 LEU 63 HB2 LEU 63 -1.966 -9.134 4.070 505 HB3 LEU 63 HB3 LEU 63 -0.866 -10.258 4.820 506 HG LEU 63 HG LEU 63 -3.449 -9.344 6.125 507 HD11 LEU 63 HD11 LEU 63 -3.892 -10.598 4.049 508 HD12 LEU 63 HD12 LEU 63 -4.354 -11.532 5.482 509 HD13 LEU 63 HD13 LEU 63 -2.846 -11.913 4.617 510 HD21 LEU 63 HD21 LEU 63 -1.498 -11.574 6.831 511 HD22 LEU 63 HD22 LEU 63 -3.107 -11.370 7.557 512 HD23 LEU 63 HD23 LEU 63 -1.878 -10.135 7.802 513 H GLN 64 H GLN 64 0.120 -6.237 4.474 514 HA GLN 64 HA GLN 64 2.598 -7.686 3.827 515 HB2 GLN 64 HB2 GLN 64 1.967 -4.843 3.004 516 HB3 GLN 64 HB3 GLN 64 3.161 -5.943 2.357 517 HG2 GLN 64 HG2 GLN 64 0.151 -6.042 2.040 518 HG3 GLN 64 HG3 GLN 64 1.372 -5.847 0.797 519 HE21 GLN 64 HE21 GLN 64 -0.800 -8.031 1.945 520 HE22 GLN 64 HE22 GLN 64 0.031 -9.525 1.504 521 H HIS 65 H HIS 65 1.596 -6.046 6.558 522 HA HIS 65 HA HIS 65 3.804 -4.387 7.189 523 HB2 HIS 65 HB2 HIS 65 1.492 -4.542 8.267 524 HB3 HIS 65 HB3 HIS 65 2.107 -5.900 9.205 525 HD2 HIS 65 HD2 HIS 65 1.095 -3.767 10.936 526 HE1 HIS 65 HE1 HIS 65 4.709 -1.563 10.845 527 HE2 HIS 65 HE2 HIS 65 2.459 -1.817 11.995 528 H GLY 66 H GLY 66 5.809 -5.058 7.287 529 HA2 GLY 66 HA2 GLY 66 7.633 -6.166 8.276 530 HA3 GLY 66 HA3 GLY 66 6.606 -7.473 8.824 531 H THR 67 H THR 67 6.112 -6.718 5.431 532 HA THR 67 HA THR 67 7.354 -9.286 4.785 533 HB THR 67 HB THR 67 6.616 -8.814 2.485 534 HG1 THR 67 HG1 THR 67 5.265 -6.611 3.619 535 HG21 THR 67 HG21 THR 67 4.486 -8.608 4.650 536 HG22 THR 67 HG22 THR 67 5.224 -10.093 4.065 537 HG23 THR 67 HG23 THR 67 4.221 -9.131 2.962 538 H LEU 68 H LEU 68 9.183 -9.690 3.533 539 HA LEU 68 HA LEU 68 11.207 -7.539 3.660 540 HB2 LEU 68 HB2 LEU 68 11.398 -10.483 2.962 541 HB3 LEU 68 HB3 LEU 68 12.735 -9.357 2.845 542 HG LEU 68 HG LEU 68 11.318 -10.196 5.403 543 HD11 LEU 68 HD11 LEU 68 13.496 -11.126 5.997 544 HD12 LEU 68 HD12 LEU 68 14.197 -10.545 4.463 545 HD13 LEU 68 HD13 LEU 68 12.957 -11.826 4.449 546 HD21 LEU 68 HD21 LEU 68 11.916 -7.925 5.713 547 HD22 LEU 68 HD22 LEU 68 13.511 -8.121 4.935 548 HD23 LEU 68 HD23 LEU 68 13.175 -8.859 6.518 549 H LEU 69 H LEU 69 11.143 -6.217 2.021 550 HA LEU 69 HA LEU 69 10.558 -7.229 -0.745 551 HB2 LEU 69 HB2 LEU 69 9.775 -4.783 0.773 552 HB3 LEU 69 HB3 LEU 69 10.384 -4.454 -0.853 553 HG LEU 69 HG LEU 69 8.310 -6.627 -0.398 554 HD11 LEU 69 HD11 LEU 69 7.847 -3.650 -0.790 555 HD12 LEU 69 HD12 LEU 69 7.414 -4.634 0.628 556 HD13 LEU 69 HD13 LEU 69 6.582 -4.917 -0.895 557 HD21 LEU 69 HD21 LEU 69 8.970 -4.839 -2.801 558 HD22 LEU 69 HD22 LEU 69 7.811 -6.198 -2.769 559 HD23 LEU 69 HD23 LEU 69 9.527 -6.503 -2.594 560 H LYS 70 H LYS 70 12.359 -7.395 -1.905 561 HA LYS 70 HA LYS 70 14.577 -7.305 -2.434 562 HB2 LYS 70 HB2 LYS 70 14.349 -4.306 -2.180 563 HB3 LYS 70 HB3 LYS 70 15.394 -5.231 -3.154 564 HG2 LYS 70 HG2 LYS 70 13.205 -6.093 -4.311 565 HG3 LYS 70 HG3 LYS 70 12.414 -4.798 -3.395 566 HD2 LYS 70 HD2 LYS 70 14.304 -3.253 -4.444 567 HD3 LYS 70 HD3 LYS 70 14.498 -4.602 -5.591 568 HE2 LYS 70 HE2 LYS 70 11.904 -4.510 -5.699 569 HE3 LYS 70 HE3 LYS 70 12.060 -2.907 -4.973 570 HZ1 LYS 70 HZ1 LYS 70 13.298 -3.794 -7.539 571 HZ2 LYS 70 HZ2 LYS 70 13.511 -2.314 -6.928 572 HZ3 LYS 70 HZ3 LYS 70 12.022 -2.795 -7.472 573 H GLU 71 H GLU 71 14.417 -8.103 -0.049 574 HA GLU 71 HA GLU 71 15.406 -8.515 1.901 575 HB2 GLU 71 HB2 GLU 71 17.510 -7.848 0.089 576 HB3 GLU 71 HB3 GLU 71 17.944 -7.094 1.634 577 HG2 GLU 71 HG2 GLU 71 17.193 -9.424 2.660 578 HG3 GLU 71 HG3 GLU 71 17.342 -9.981 0.993 579 H LYS 72 H LYS 72 13.968 -5.774 1.715 580 HA LYS 72 HA LYS 72 15.028 -4.653 4.282 581 HB2 LYS 72 HB2 LYS 72 13.752 -3.329 1.854 582 HB3 LYS 72 HB3 LYS 72 13.883 -2.523 3.412 583 HG2 LYS 72 HG2 LYS 72 16.353 -3.736 2.087 584 HG3 LYS 72 HG3 LYS 72 15.758 -2.170 1.587 585 HD2 LYS 72 HD2 LYS 72 16.390 -2.783 4.489 586 HD3 LYS 72 HD3 LYS 72 17.581 -2.151 3.335 587 HE2 LYS 72 HE2 LYS 72 16.154 -0.204 2.871 588 HE3 LYS 72 HE3 LYS 72 14.935 -0.792 4.013 589 HZ1 LYS 72 HZ1 LYS 72 17.714 -0.104 4.735 590 HZ2 LYS 72 HZ2 LYS 72 16.523 -0.567 5.773 591 HZ3 LYS 72 HZ3 LYS 72 16.398 0.866 4.968 592 H LYS 73 H LYS 73 13.637 -4.787 5.970 593 HA LYS 73 HA LYS 73 11.043 -6.006 5.472 594 HB2 LYS 73 HB2 LYS 73 12.693 -6.475 7.438 595 HB3 LYS 73 HB3 LYS 73 12.017 -5.014 8.162 596 HG2 LYS 73 HG2 LYS 73 9.923 -5.993 8.514 597 HG3 LYS 73 HG3 LYS 73 10.060 -6.993 7.080 598 HD2 LYS 73 HD2 LYS 73 10.103 -8.562 8.734 599 HD3 LYS 73 HD3 LYS 73 11.799 -8.412 8.349 600 HE2 LYS 73 HE2 LYS 73 10.306 -7.117 10.683 601 HE3 LYS 73 HE3 LYS 73 11.331 -8.566 10.758 602 HZ1 LYS 73 HZ1 LYS 73 12.255 -5.816 10.292 603 HZ2 LYS 73 HZ2 LYS 73 13.206 -7.167 10.045 604 HZ3 LYS 73 HZ3 LYS 73 12.602 -6.812 11.529 605 H ILE 74 H ILE 74 9.464 -4.787 4.718 606 HA ILE 74 HA ILE 74 9.295 -1.937 5.320 607 HB ILE 74 HB ILE 74 7.484 -1.855 3.820 608 HG12 ILE 74 HG12 ILE 74 7.607 -4.735 2.965 609 HG13 ILE 74 HG13 ILE 74 6.739 -4.418 4.461 610 HG21 ILE 74 HG21 ILE 74 9.768 -1.825 2.946 611 HG22 ILE 74 HG22 ILE 74 9.713 -3.570 2.664 612 HG23 ILE 74 HG23 ILE 74 8.630 -2.488 1.757 613 HD11 ILE 74 HD11 ILE 74 6.151 -2.955 1.858 614 HD12 ILE 74 HD12 ILE 74 5.261 -4.372 2.456 615 HD13 ILE 74 HD13 ILE 74 5.245 -2.868 3.389 616 H ASN 75 H ASN 75 7.068 -1.035 5.822 617 HA ASN 75 HA ASN 75 5.653 -2.526 7.969 618 HB2 ASN 75 HB2 ASN 75 5.411 -0.337 9.136 619 HB3 ASN 75 HB3 ASN 75 7.095 -0.865 9.118 620 HD21 ASN 75 HD21 ASN 75 4.669 1.431 7.639 621 HD22 ASN 75 HD22 ASN 75 5.913 2.502 7.032 622 H VAL 76 H VAL 76 3.434 -1.771 8.291 623 HA VAL 76 HA VAL 76 2.284 -0.160 6.085 624 HB VAL 76 HB VAL 76 1.554 -2.993 6.875 625 HG11 VAL 76 HG11 VAL 76 -0.369 -2.681 5.229 626 HG12 VAL 76 HG12 VAL 76 -0.555 -1.753 6.713 627 HG13 VAL 76 HG13 VAL 76 0.008 -0.951 5.233 628 HG21 VAL 76 HG21 VAL 76 1.700 -3.477 4.531 629 HG22 VAL 76 HG22 VAL 76 2.178 -1.817 4.166 630 HG23 VAL 76 HG23 VAL 76 3.255 -2.876 5.111 631 H GLU 77 H GLU 77 0.855 1.330 6.986 632 HA GLU 77 HA GLU 77 -0.610 0.633 9.431 633 HB2 GLU 77 HB2 GLU 77 0.708 3.354 9.335 634 HB3 GLU 77 HB3 GLU 77 0.130 2.443 10.724 635 HG2 GLU 77 HG2 GLU 77 2.093 0.840 10.340 636 HG3 GLU 77 HG3 GLU 77 2.668 1.988 9.112 637 H LEU 78 H LEU 78 -2.220 2.654 9.875 638 HA LEU 78 HA LEU 78 -3.627 3.147 7.328 639 HB2 LEU 78 HB2 LEU 78 -4.285 3.341 10.291 640 HB3 LEU 78 HB3 LEU 78 -5.234 4.230 9.129 641 HG LEU 78 HG LEU 78 -6.314 2.212 9.752 642 HD11 LEU 78 HD11 LEU 78 -6.780 3.137 7.558 643 HD12 LEU 78 HD12 LEU 78 -6.926 1.380 7.548 644 HD13 LEU 78 HD13 LEU 78 -5.496 2.136 6.837 645 HD21 LEU 78 HD21 LEU 78 -4.328 0.761 10.160 646 HD22 LEU 78 HD22 LEU 78 -4.071 0.658 8.401 647 HD23 LEU 78 HD23 LEU 78 -5.544 -0.012 9.129 648 H THR 79 H THR 79 -4.255 5.235 6.661 649 HA THR 79 HA THR 79 -3.262 7.650 8.047 650 HB THR 79 HB THR 79 -1.322 6.964 6.847 651 HG1 THR 79 HG1 THR 79 -0.953 8.841 6.399 652 HG21 THR 79 HG21 THR 79 -2.944 6.519 4.497 653 HG22 THR 79 HG22 THR 79 -1.987 5.388 5.380 654 HG23 THR 79 HG23 THR 79 -1.168 6.658 4.427 655 H VAL 80 H VAL 80 -5.589 7.927 8.285 656 HA VAL 80 HA VAL 80 -6.846 9.362 6.147 657 HB VAL 80 HB VAL 80 -7.194 7.100 5.249 658 HG11 VAL 80 HG11 VAL 80 -8.366 5.361 6.606 659 HG12 VAL 80 HG12 VAL 80 -6.741 5.747 7.154 660 HG13 VAL 80 HG13 VAL 80 -8.186 6.400 8.019 661 HG21 VAL 80 HG21 VAL 80 -9.152 8.551 5.012 662 HG22 VAL 80 HG22 VAL 80 -9.561 6.832 5.107 663 HG23 VAL 80 HG23 VAL 80 -9.846 7.850 6.505 664 H GLY 81 H GLY 81 -9.183 9.905 6.976 665 HA2 GLY 81 HA2 GLY 81 -9.660 9.590 9.835 666 HA3 GLY 81 HA3 GLY 81 -9.287 11.241 9.293 667 H GLY 82 H GLY 82 -10.941 12.439 8.520 668 HA2 GLY 82 HA2 GLY 82 -13.416 11.086 7.537 669 HA3 GLY 82 HA3 GLY 82 -13.475 12.408 8.706 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -13.139 13.120 0.762 2 HA2 GLY 1 HA2 GLY 1 -15.115 12.226 -0.326 3 HA3 GLY 1 HA3 GLY 1 -13.645 11.667 -1.150 4 H ASN 2 H ASN 2 -13.754 9.547 -1.671 5 HA ASN 2 HA ASN 2 -15.003 7.627 0.218 6 HB2 ASN 2 HB2 ASN 2 -15.937 6.425 -1.751 7 HB3 ASN 2 HB3 ASN 2 -16.703 7.962 -1.372 8 HD21 ASN 2 HD21 ASN 2 -14.384 6.416 -3.701 9 HD22 ASN 2 HD22 ASN 2 -14.813 7.493 -4.985 10 H ARG 3 H ARG 3 -12.333 7.913 0.369 11 HA ARG 3 HA ARG 3 -11.465 5.288 -0.492 12 HB2 ARG 3 HB2 ARG 3 -9.491 5.875 -1.650 13 HB3 ARG 3 HB3 ARG 3 -10.819 6.660 -2.490 14 HG2 ARG 3 HG2 ARG 3 -10.172 8.799 -1.756 15 HG3 ARG 3 HG3 ARG 3 -9.131 8.177 -0.459 16 HD2 ARG 3 HD2 ARG 3 -7.553 7.277 -1.977 17 HD3 ARG 3 HD3 ARG 3 -8.599 7.557 -3.378 18 HE ARG 3 HE ARG 3 -6.846 9.454 -2.061 19 HH11 ARG 3 HH11 ARG 3 -9.803 9.183 -4.034 20 HH12 ARG 3 HH12 ARG 3 -9.655 10.744 -4.732 21 HH21 ARG 3 HH21 ARG 3 -6.590 11.459 -3.011 22 HH22 ARG 3 HH22 ARG 3 -7.718 12.111 -4.138 23 H PHE 4 H PHE 4 -9.294 4.819 0.416 24 HA PHE 4 HA PHE 4 -8.687 6.386 2.858 25 HB2 PHE 4 HB2 PHE 4 -8.768 3.375 2.672 26 HB3 PHE 4 HB3 PHE 4 -8.529 4.343 4.128 27 HD1 PHE 4 HD1 PHE 4 -10.569 6.100 4.593 28 HD2 PHE 4 HD2 PHE 4 -10.889 2.424 2.372 29 HE1 PHE 4 HE1 PHE 4 -13.034 6.067 4.965 30 HE2 PHE 4 HE2 PHE 4 -13.337 2.352 2.872 31 HZ PHE 4 HZ PHE 4 -14.400 4.218 4.091 32 H ILE 5 H ILE 5 -6.441 5.658 3.636 33 HA ILE 5 HA ILE 5 -4.686 5.107 1.323 34 HB ILE 5 HB ILE 5 -4.511 7.470 3.225 35 HG12 ILE 5 HG12 ILE 5 -4.324 7.651 0.213 36 HG13 ILE 5 HG13 ILE 5 -5.912 7.480 0.914 37 HG21 ILE 5 HG21 ILE 5 -2.441 6.484 1.208 38 HG22 ILE 5 HG22 ILE 5 -2.392 8.082 1.979 39 HG23 ILE 5 HG23 ILE 5 -2.228 6.628 2.966 40 HD11 ILE 5 HD11 ILE 5 -4.032 9.696 1.756 41 HD12 ILE 5 HD12 ILE 5 -5.327 9.834 0.539 42 HD13 ILE 5 HD13 ILE 5 -5.743 9.433 2.213 43 H VAL 6 H VAL 6 -2.803 4.041 1.856 44 HA VAL 6 HA VAL 6 -2.602 2.991 4.644 45 HB VAL 6 HB VAL 6 -1.779 1.743 1.986 46 HG11 VAL 6 HG11 VAL 6 -1.807 0.562 4.798 47 HG12 VAL 6 HG12 VAL 6 -1.366 -0.286 3.298 48 HG13 VAL 6 HG13 VAL 6 -0.356 1.038 3.900 49 HG21 VAL 6 HG21 VAL 6 -3.602 0.100 2.460 50 HG22 VAL 6 HG22 VAL 6 -4.076 1.059 3.872 51 HG23 VAL 6 HG23 VAL 6 -4.247 1.732 2.241 52 H PHE 7 H PHE 7 -0.749 3.326 5.696 53 HA PHE 7 HA PHE 7 1.338 5.086 4.540 54 HB2 PHE 7 HB2 PHE 7 0.434 5.714 6.765 55 HB3 PHE 7 HB3 PHE 7 0.667 4.111 7.360 56 HD1 PHE 7 HD1 PHE 7 3.095 3.298 7.782 57 HD2 PHE 7 HD2 PHE 7 2.113 7.399 6.905 58 HE1 PHE 7 HE1 PHE 7 5.279 4.009 8.691 59 HE2 PHE 7 HE2 PHE 7 4.265 8.101 7.842 60 HZ PHE 7 HZ PHE 7 5.902 6.382 8.638 61 H VAL 8 H VAL 8 3.002 3.969 3.572 62 HA VAL 8 HA VAL 8 3.834 1.409 4.842 63 HB VAL 8 HB VAL 8 4.104 1.944 1.882 64 HG11 VAL 8 HG11 VAL 8 5.505 0.167 3.059 65 HG12 VAL 8 HG12 VAL 8 3.997 -0.657 3.441 66 HG13 VAL 8 HG13 VAL 8 4.472 -0.458 1.766 67 HG21 VAL 8 HG21 VAL 8 1.676 1.953 2.247 68 HG22 VAL 8 HG22 VAL 8 2.144 0.411 1.544 69 HG23 VAL 8 HG23 VAL 8 1.802 0.503 3.278 70 H GLY 9 H GLY 9 6.049 1.453 5.481 71 HA2 GLY 9 HA2 GLY 9 7.765 3.437 4.168 72 HA3 GLY 9 HA3 GLY 9 7.583 3.639 5.888 73 H SER 10 H SER 10 10.022 3.274 5.353 74 HA SER 10 HA SER 10 11.888 2.132 5.737 75 HB2 SER 10 HB2 SER 10 9.973 0.596 7.154 76 HB3 SER 10 HB3 SER 10 10.872 -0.544 6.180 77 HG SER 10 HG SER 10 12.668 -0.146 7.160 78 H LEU 11 H LEU 11 10.309 2.116 3.131 79 HA LEU 11 HA LEU 11 10.723 -0.263 1.688 80 HB2 LEU 11 HB2 LEU 11 10.354 2.643 0.910 81 HB3 LEU 11 HB3 LEU 11 10.721 1.456 -0.315 82 HG LEU 11 HG LEU 11 8.777 0.161 0.138 83 HD11 LEU 11 HD11 LEU 11 8.160 2.199 2.354 84 HD12 LEU 11 HD12 LEU 11 8.355 0.439 2.549 85 HD13 LEU 11 HD13 LEU 11 6.964 1.078 1.684 86 HD21 LEU 11 HD21 LEU 11 8.650 2.089 -1.351 87 HD22 LEU 11 HD22 LEU 11 8.083 3.120 -0.025 88 HD23 LEU 11 HD23 LEU 11 7.094 1.745 -0.600 89 HA PRO 12 HA PRO 12 15.006 -0.316 0.651 90 HB2 PRO 12 HB2 PRO 12 14.863 -1.290 -2.006 91 HB3 PRO 12 HB3 PRO 12 14.890 -2.265 -0.527 92 HG2 PRO 12 HG2 PRO 12 12.588 -1.561 -2.268 93 HG3 PRO 12 HG3 PRO 12 12.792 -2.967 -1.221 94 HD2 PRO 12 HD2 PRO 12 11.181 -0.824 -0.595 95 HD3 PRO 12 HD3 PRO 12 11.906 -1.932 0.602 96 H ARG 13 H ARG 13 16.637 0.477 -1.005 97 HA ARG 13 HA ARG 13 15.994 3.251 -1.677 98 HB2 ARG 13 HB2 ARG 13 18.427 1.470 -2.093 99 HB3 ARG 13 HB3 ARG 13 18.375 3.141 -2.641 100 HG2 ARG 13 HG2 ARG 13 17.600 2.662 0.220 101 HG3 ARG 13 HG3 ARG 13 19.295 2.407 -0.198 102 HD2 ARG 13 HD2 ARG 13 17.832 4.943 -0.981 103 HD3 ARG 13 HD3 ARG 13 18.560 4.749 0.612 104 HE ARG 13 HE ARG 13 19.980 4.908 -1.999 105 HH11 ARG 13 HH11 ARG 13 20.451 4.158 1.451 106 HH12 ARG 13 HH12 ARG 13 21.907 5.047 1.593 107 HH21 ARG 13 HH21 ARG 13 22.066 5.619 -1.949 108 HH22 ARG 13 HH22 ARG 13 22.929 5.853 -0.451 109 H ASP 14 H ASP 14 16.644 0.226 -3.474 110 HA ASP 14 HA ASP 14 16.094 1.570 -6.004 111 HB2 ASP 14 HB2 ASP 14 17.827 -0.446 -5.317 112 HB3 ASP 14 HB3 ASP 14 16.531 -1.265 -6.195 113 H ILE 15 H ILE 15 13.889 1.134 -3.992 114 HA ILE 15 HA ILE 15 12.067 -0.818 -4.888 115 HB ILE 15 HB ILE 15 11.817 0.332 -2.779 116 HG12 ILE 15 HG12 ILE 15 9.361 1.059 -3.068 117 HG13 ILE 15 HG13 ILE 15 9.569 0.612 -4.774 118 HG21 ILE 15 HG21 ILE 15 12.649 2.557 -3.451 119 HG22 ILE 15 HG22 ILE 15 11.113 2.847 -4.273 120 HG23 ILE 15 HG23 ILE 15 11.187 2.576 -2.501 121 HD11 ILE 15 HD11 ILE 15 10.082 -1.625 -4.194 122 HD12 ILE 15 HD12 ILE 15 9.899 -1.253 -2.444 123 HD13 ILE 15 HD13 ILE 15 8.519 -1.124 -3.553 124 H THR 16 H THR 16 10.476 -0.860 -6.547 125 HA THR 16 HA THR 16 10.393 1.416 -8.432 126 HB THR 16 HB THR 16 10.169 -0.507 -10.159 127 HG1 THR 16 HG1 THR 16 11.199 -2.396 -9.646 128 HG21 THR 16 HG21 THR 16 12.616 -0.557 -10.505 129 HG22 THR 16 HG22 THR 16 12.853 0.145 -8.878 130 HG23 THR 16 HG23 THR 16 12.032 1.072 -10.142 131 H ALA 17 H ALA 17 8.370 1.706 -9.497 132 HA ALA 17 HA ALA 17 6.098 1.221 -7.847 133 HB1 ALA 17 HB1 ALA 17 4.861 2.094 -9.883 134 HB2 ALA 17 HB2 ALA 17 6.201 3.124 -9.350 135 HB3 ALA 17 HB3 ALA 17 6.394 2.059 -10.761 136 H VAL 18 H VAL 18 7.539 -0.653 -10.451 137 HA VAL 18 HA VAL 18 5.280 -2.288 -11.035 138 HB VAL 18 HB VAL 18 6.943 -2.380 -12.639 139 HG11 VAL 18 HG11 VAL 18 8.824 -1.383 -11.624 140 HG12 VAL 18 HG12 VAL 18 9.054 -2.772 -10.515 141 HG13 VAL 18 HG13 VAL 18 9.341 -2.925 -12.264 142 HG21 VAL 18 HG21 VAL 18 7.768 -4.663 -12.802 143 HG22 VAL 18 HG22 VAL 18 7.559 -4.918 -11.063 144 HG23 VAL 18 HG23 VAL 18 6.141 -4.677 -12.119 145 H GLU 19 H GLU 19 7.925 -2.545 -8.623 146 HA GLU 19 HA GLU 19 7.203 -5.122 -7.605 147 HB2 GLU 19 HB2 GLU 19 8.929 -2.793 -6.756 148 HB3 GLU 19 HB3 GLU 19 8.442 -3.936 -5.510 149 HG2 GLU 19 HG2 GLU 19 9.526 -4.960 -8.142 150 HG3 GLU 19 HG3 GLU 19 10.626 -4.322 -6.938 151 H LEU 20 H LEU 20 6.391 -1.782 -6.662 152 HA LEU 20 HA LEU 20 4.801 -2.466 -4.413 153 HB2 LEU 20 HB2 LEU 20 4.653 -0.105 -6.346 154 HB3 LEU 20 HB3 LEU 20 3.743 -0.182 -4.849 155 HG LEU 20 HG LEU 20 6.774 -0.160 -5.116 156 HD11 LEU 20 HD11 LEU 20 5.628 2.014 -5.605 157 HD12 LEU 20 HD12 LEU 20 6.672 2.059 -4.169 158 HD13 LEU 20 HD13 LEU 20 4.914 1.952 -3.976 159 HD21 LEU 20 HD21 LEU 20 6.221 -1.412 -3.105 160 HD22 LEU 20 HD22 LEU 20 4.972 -0.234 -2.671 161 HD23 LEU 20 HD23 LEU 20 6.689 0.217 -2.608 162 H GLN 21 H GLN 21 3.771 -1.972 -7.870 163 HA GLN 21 HA GLN 21 1.026 -2.536 -7.295 164 HB2 GLN 21 HB2 GLN 21 2.620 -2.860 -9.880 165 HB3 GLN 21 HB3 GLN 21 0.885 -3.183 -9.732 166 HG2 GLN 21 HG2 GLN 21 0.791 -0.761 -8.700 167 HG3 GLN 21 HG3 GLN 21 2.326 -0.552 -9.561 168 HE21 GLN 21 HE21 GLN 21 -0.983 0.012 -9.907 169 HE22 GLN 21 HE22 GLN 21 -1.060 -0.125 -11.633 170 H ASN 22 H ASN 22 3.798 -4.691 -7.954 171 HA ASN 22 HA ASN 22 2.182 -7.082 -8.164 172 HB2 ASN 22 HB2 ASN 22 4.280 -7.357 -9.114 173 HB3 ASN 22 HB3 ASN 22 5.116 -6.398 -7.892 174 HD21 ASN 22 HD21 ASN 22 6.135 -7.444 -6.154 175 HD22 ASN 22 HD22 ASN 22 5.928 -9.135 -5.808 176 H HIS 23 H HIS 23 3.848 -5.497 -5.377 177 HA HIS 23 HA HIS 23 3.234 -7.722 -3.662 178 HB2 HIS 23 HB2 HIS 23 4.949 -5.591 -3.485 179 HB3 HIS 23 HB3 HIS 23 3.694 -5.087 -2.392 180 HD2 HIS 23 HD2 HIS 23 2.902 -7.859 -0.992 181 HE1 HIS 23 HE1 HIS 23 7.065 -8.612 -0.419 182 HE2 HIS 23 HE2 HIS 23 4.670 -9.317 0.257 183 H PHE 24 H PHE 24 1.581 -4.631 -4.344 184 HA PHE 24 HA PHE 24 -0.614 -5.350 -2.482 185 HB2 PHE 24 HB2 PHE 24 0.010 -2.843 -4.047 186 HB3 PHE 24 HB3 PHE 24 -1.419 -3.062 -3.047 187 HD1 PHE 24 HD1 PHE 24 -1.226 -3.418 -0.558 188 HD2 PHE 24 HD2 PHE 24 2.187 -2.418 -2.988 189 HE1 PHE 24 HE1 PHE 24 0.033 -2.728 1.469 190 HE2 PHE 24 HE2 PHE 24 3.441 -1.761 -0.987 191 HZ PHE 24 HZ PHE 24 2.351 -1.887 1.271 192 H LYS 25 H LYS 25 0.046 -6.384 -5.539 193 HA LYS 25 HA LYS 25 -2.163 -5.855 -7.064 194 HB2 LYS 25 HB2 LYS 25 0.108 -7.412 -7.283 195 HB3 LYS 25 HB3 LYS 25 -1.117 -8.643 -7.260 196 HG2 LYS 25 HG2 LYS 25 -2.318 -7.278 -9.051 197 HG3 LYS 25 HG3 LYS 25 -0.863 -6.267 -9.127 198 HD2 LYS 25 HD2 LYS 25 0.468 -8.423 -9.545 199 HD3 LYS 25 HD3 LYS 25 -1.102 -9.237 -9.750 200 HE2 LYS 25 HE2 LYS 25 -1.652 -7.448 -11.493 201 HE3 LYS 25 HE3 LYS 25 0.026 -6.903 -11.366 202 HZ1 LYS 25 HZ1 LYS 25 -0.954 -9.508 -12.319 203 HZ2 LYS 25 HZ2 LYS 25 0.653 -9.222 -11.978 204 HZ3 LYS 25 HZ3 LYS 25 -0.113 -8.400 -13.165 205 H ASN 26 H ASN 26 -1.921 -8.323 -4.460 206 HA ASN 26 HA ASN 26 -4.520 -9.430 -5.122 207 HB2 ASN 26 HB2 ASN 26 -2.725 -9.725 -2.690 208 HB3 ASN 26 HB3 ASN 26 -4.379 -10.349 -2.696 209 HD21 ASN 26 HD21 ASN 26 -5.012 -11.757 -4.676 210 HD22 ASN 26 HD22 ASN 26 -3.727 -12.841 -5.231 211 H SER 27 H SER 27 -3.453 -6.773 -2.946 212 HA SER 27 HA SER 27 -6.058 -6.459 -1.732 213 HB2 SER 27 HB2 SER 27 -4.998 -4.279 -0.939 214 HB3 SER 27 HB3 SER 27 -4.289 -5.780 -0.389 215 HG SER 27 HG SER 27 -3.170 -4.652 -2.685 216 H SER 28 H SER 28 -4.621 -5.275 -4.700 217 HA SER 28 HA SER 28 -5.392 -4.036 -6.374 218 HB2 SER 28 HB2 SER 28 -8.153 -4.420 -5.189 219 HB3 SER 28 HB3 SER 28 -7.761 -3.934 -6.844 220 HG SER 28 HG SER 28 -7.796 -6.387 -5.715 221 HA PRO 29 HA PRO 29 -5.499 0.012 -4.020 222 HB2 PRO 29 HB2 PRO 29 -3.200 1.037 -4.997 223 HB3 PRO 29 HB3 PRO 29 -3.221 -0.096 -3.613 224 HG2 PRO 29 HG2 PRO 29 -2.732 -0.753 -6.545 225 HG3 PRO 29 HG3 PRO 29 -1.719 -1.214 -5.140 226 HD2 PRO 29 HD2 PRO 29 -3.535 -2.926 -6.158 227 HD3 PRO 29 HD3 PRO 29 -3.326 -2.779 -4.383 228 H ASP 30 H ASP 30 -5.739 2.053 -4.930 229 HA ASP 30 HA ASP 30 -6.995 2.080 -7.607 230 HB2 ASP 30 HB2 ASP 30 -8.224 3.235 -5.849 231 HB3 ASP 30 HB3 ASP 30 -6.789 4.153 -5.368 232 H GLN 31 H GLN 31 -4.581 3.818 -5.658 233 HA GLN 31 HA GLN 31 -2.784 4.182 -7.992 234 HB2 GLN 31 HB2 GLN 31 -4.236 6.152 -7.920 235 HB3 GLN 31 HB3 GLN 31 -3.890 6.402 -6.211 236 HG2 GLN 31 HG2 GLN 31 -1.586 7.020 -6.706 237 HG3 GLN 31 HG3 GLN 31 -1.782 6.531 -8.401 238 HE21 GLN 31 HE21 GLN 31 -3.165 8.848 -5.929 239 HE22 GLN 31 HE22 GLN 31 -3.534 10.064 -7.127 240 H ILE 32 H ILE 32 -0.600 4.882 -7.283 241 HA ILE 32 HA ILE 32 0.124 4.270 -4.491 242 HB ILE 32 HB ILE 32 1.539 3.194 -6.970 243 HG12 ILE 32 HG12 ILE 32 0.898 0.902 -5.710 244 HG13 ILE 32 HG13 ILE 32 -0.494 1.854 -5.204 245 HG21 ILE 32 HG21 ILE 32 3.125 3.615 -5.209 246 HG22 ILE 32 HG22 ILE 32 2.112 2.790 -4.008 247 HG23 ILE 32 HG23 ILE 32 2.878 1.888 -5.330 248 HD11 ILE 32 HD11 ILE 32 -1.119 2.207 -7.568 249 HD12 ILE 32 HD12 ILE 32 0.399 1.466 -8.102 250 HD13 ILE 32 HD13 ILE 32 -0.832 0.488 -7.285 251 H ARG 33 H ARG 33 1.793 5.675 -3.797 252 HA ARG 33 HA ARG 33 3.125 7.414 -5.811 253 HB2 ARG 33 HB2 ARG 33 1.062 8.347 -4.331 254 HB3 ARG 33 HB3 ARG 33 2.286 8.493 -3.105 255 HG2 ARG 33 HG2 ARG 33 2.800 10.468 -3.979 256 HG3 ARG 33 HG3 ARG 33 3.600 9.582 -5.281 257 HD2 ARG 33 HD2 ARG 33 0.697 10.526 -5.239 258 HD3 ARG 33 HD3 ARG 33 2.028 11.330 -6.081 259 HE ARG 33 HE ARG 33 2.033 8.779 -7.154 260 HH11 ARG 33 HH11 ARG 33 -0.308 11.494 -6.994 261 HH12 ARG 33 HH12 ARG 33 -0.994 11.056 -8.519 262 HH21 ARG 33 HH21 ARG 33 0.748 8.072 -9.019 263 HH22 ARG 33 HH22 ARG 33 -0.571 9.076 -9.491 264 H LEU 34 H LEU 34 5.207 6.574 -5.703 265 HA LEU 34 HA LEU 34 6.271 5.655 -3.120 266 HB2 LEU 34 HB2 LEU 34 6.541 4.280 -5.085 267 HB3 LEU 34 HB3 LEU 34 7.339 5.555 -5.966 268 HG LEU 34 HG LEU 34 8.724 3.557 -4.934 269 HD11 LEU 34 HD11 LEU 34 9.727 5.544 -6.050 270 HD12 LEU 34 HD12 LEU 34 10.692 5.024 -4.670 271 HD13 LEU 34 HD13 LEU 34 9.663 6.444 -4.525 272 HD21 LEU 34 HD21 LEU 34 9.647 4.035 -2.705 273 HD22 LEU 34 HD22 LEU 34 7.939 3.606 -2.719 274 HD23 LEU 34 HD23 LEU 34 8.469 5.286 -2.443 275 H ARG 35 H ARG 35 7.170 7.126 -1.757 276 HA ARG 35 HA ARG 35 8.434 9.579 -2.866 277 HB2 ARG 35 HB2 ARG 35 7.169 8.895 -0.203 278 HB3 ARG 35 HB3 ARG 35 8.255 10.279 -0.386 279 HG2 ARG 35 HG2 ARG 35 5.702 9.864 -2.005 280 HG3 ARG 35 HG3 ARG 35 5.824 10.813 -0.517 281 HD2 ARG 35 HD2 ARG 35 7.571 12.247 -1.613 282 HD3 ARG 35 HD3 ARG 35 7.261 11.418 -3.130 283 HE ARG 35 HE ARG 35 5.444 13.169 -1.594 284 HH11 ARG 35 HH11 ARG 35 6.115 11.554 -4.721 285 HH12 ARG 35 HH12 ARG 35 4.700 12.105 -5.500 286 HH21 ARG 35 HH21 ARG 35 3.614 14.015 -2.644 287 HH22 ARG 35 HH22 ARG 35 3.222 13.576 -4.277 288 H ALA 36 H ALA 36 10.292 8.578 -3.510 289 HA ALA 36 HA ALA 36 11.865 6.725 -2.105 290 HB1 ALA 36 HB1 ALA 36 13.653 7.463 -3.643 291 HB2 ALA 36 HB2 ALA 36 12.118 7.308 -4.518 292 HB3 ALA 36 HB3 ALA 36 12.730 8.916 -4.058 293 H ASP 37 H ASP 37 11.647 10.192 -1.763 294 HA ASP 37 HA ASP 37 13.958 10.994 -0.521 295 HB2 ASP 37 HB2 ASP 37 11.120 11.786 0.270 296 HB3 ASP 37 HB3 ASP 37 12.594 12.729 0.521 297 H LYS 38 H LYS 38 11.206 9.375 0.985 298 HA LYS 38 HA LYS 38 12.728 9.211 3.560 299 HB2 LYS 38 HB2 LYS 38 9.868 9.855 2.968 300 HB3 LYS 38 HB3 LYS 38 10.219 8.966 4.450 301 HG2 LYS 38 HG2 LYS 38 11.538 11.624 3.768 302 HG3 LYS 38 HG3 LYS 38 10.013 11.456 4.651 303 HD2 LYS 38 HD2 LYS 38 11.276 9.888 6.280 304 HD3 LYS 38 HD3 LYS 38 12.754 10.468 5.503 305 HE2 LYS 38 HE2 LYS 38 12.367 11.719 7.508 306 HE3 LYS 38 HE3 LYS 38 12.153 12.803 6.126 307 HZ1 LYS 38 HZ1 LYS 38 9.865 12.852 6.482 308 HZ2 LYS 38 HZ2 LYS 38 10.471 12.864 8.013 309 HZ3 LYS 38 HZ3 LYS 38 9.856 11.477 7.412 310 H GLY 39 H GLY 39 11.530 7.344 0.958 311 HA2 GLY 39 HA2 GLY 39 11.594 5.041 0.708 312 HA3 GLY 39 HA3 GLY 39 12.216 4.888 2.369 313 H ILE 40 H ILE 40 9.207 6.380 1.031 314 HA ILE 40 HA ILE 40 7.514 4.475 2.469 315 HB ILE 40 HB ILE 40 6.073 6.639 2.924 316 HG12 ILE 40 HG12 ILE 40 8.762 7.866 3.162 317 HG13 ILE 40 HG13 ILE 40 7.856 8.039 1.658 318 HG21 ILE 40 HG21 ILE 40 7.267 7.069 5.158 319 HG22 ILE 40 HG22 ILE 40 6.763 5.433 4.851 320 HG23 ILE 40 HG23 ILE 40 8.479 5.881 4.634 321 HD11 ILE 40 HD11 ILE 40 7.003 9.132 4.362 322 HD12 ILE 40 HD12 ILE 40 7.473 10.039 2.915 323 HD13 ILE 40 HD13 ILE 40 5.975 9.107 2.907 324 H ALA 41 H ALA 41 5.322 4.446 1.566 325 HA ALA 41 HA ALA 41 4.991 5.842 -0.957 326 HB1 ALA 41 HB1 ALA 41 6.090 3.842 -1.764 327 HB2 ALA 41 HB2 ALA 41 5.045 2.820 -0.785 328 HB3 ALA 41 HB3 ALA 41 4.369 3.717 -2.163 329 H PHE 42 H PHE 42 2.957 6.490 -1.122 330 HA PHE 42 HA PHE 42 1.000 5.546 0.873 331 HB2 PHE 42 HB2 PHE 42 0.914 7.786 -1.206 332 HB3 PHE 42 HB3 PHE 42 -0.312 7.476 0.015 333 HD1 PHE 42 HD2 PHE 42 0.290 7.647 2.467 334 HD2 PHE 42 HD1 PHE 42 2.965 8.987 -0.641 335 HE1 PHE 42 HE2 PHE 42 1.585 8.911 4.131 336 HE2 PHE 42 HE1 PHE 42 4.288 10.241 1.060 337 HZ PHE 42 HZ PHE 42 3.602 10.224 3.430 338 H LEU 43 H LEU 43 -0.766 4.316 0.292 339 HA LEU 43 HA LEU 43 -1.251 3.777 -2.588 340 HB2 LEU 43 HB2 LEU 43 -1.129 1.756 -0.308 341 HB3 LEU 43 HB3 LEU 43 -2.055 1.512 -1.795 342 HG LEU 43 HG LEU 43 0.272 2.321 -2.900 343 HD11 LEU 43 HD11 LEU 43 1.435 2.450 -0.685 344 HD12 LEU 43 HD12 LEU 43 2.167 1.326 -1.844 345 HD13 LEU 43 HD13 LEU 43 1.163 0.703 -0.502 346 HD21 LEU 43 HD21 LEU 43 -0.460 -0.484 -2.034 347 HD22 LEU 43 HD22 LEU 43 0.766 -0.100 -3.272 348 HD23 LEU 43 HD23 LEU 43 -0.929 0.323 -3.536 349 H GLU 44 H GLU 44 -3.167 4.253 -3.152 350 HA GLU 44 HA GLU 44 -5.182 5.104 -1.143 351 HB2 GLU 44 HB2 GLU 44 -4.771 5.489 -4.151 352 HB3 GLU 44 HB3 GLU 44 -6.218 6.042 -3.309 353 HG2 GLU 44 HG2 GLU 44 -5.012 7.621 -2.006 354 HG3 GLU 44 HG3 GLU 44 -3.447 6.890 -2.361 355 H PHE 45 H PHE 45 -7.195 4.081 -1.064 356 HA PHE 45 HA PHE 45 -7.742 1.867 -2.989 357 HB2 PHE 45 HB2 PHE 45 -7.888 1.742 0.058 358 HB3 PHE 45 HB3 PHE 45 -8.666 0.593 -1.021 359 HD1 PHE 45 HD2 PHE 45 -5.343 1.841 0.119 360 HD2 PHE 45 HD1 PHE 45 -7.480 -1.189 -2.097 361 HE1 PHE 45 HE2 PHE 45 -3.295 0.452 0.027 362 HE2 PHE 45 HE1 PHE 45 -5.443 -2.553 -2.186 363 HZ PHE 45 HZ PHE 45 -3.327 -1.754 -1.128 364 H ASP 46 H ASP 46 -9.460 2.637 -4.049 365 HA ASP 46 HA ASP 46 -11.271 4.597 -2.989 366 HB2 ASP 46 HB2 ASP 46 -10.628 4.402 -5.383 367 HB3 ASP 46 HB3 ASP 46 -11.631 2.945 -5.492 368 H ALA 47 H ALA 47 -12.821 4.310 -1.671 369 HA ALA 47 HA ALA 47 -13.781 1.727 -0.813 370 HB1 ALA 47 HB1 ALA 47 -13.301 3.739 0.663 371 HB2 ALA 47 HB2 ALA 47 -14.768 4.484 -0.010 372 HB3 ALA 47 HB3 ALA 47 -14.877 2.963 0.906 373 H ASP 48 H ASP 48 -14.915 4.276 -2.978 374 HA ASP 48 HA ASP 48 -17.687 3.416 -2.996 375 HB2 ASP 48 HB2 ASP 48 -17.047 5.705 -3.606 376 HB3 ASP 48 HB3 ASP 48 -16.225 5.077 -5.055 377 H LYS 49 H LYS 49 -14.724 2.456 -4.570 378 HA LYS 49 HA LYS 49 -15.785 1.148 -6.816 379 HB2 LYS 49 HB2 LYS 49 -13.250 1.338 -5.679 380 HB3 LYS 49 HB3 LYS 49 -13.582 -0.376 -5.501 381 HG2 LYS 49 HG2 LYS 49 -13.528 1.278 -8.041 382 HG3 LYS 49 HG3 LYS 49 -12.392 0.016 -7.550 383 HD2 LYS 49 HD2 LYS 49 -14.081 -1.724 -7.905 384 HD3 LYS 49 HD3 LYS 49 -15.310 -0.491 -8.233 385 HE2 LYS 49 HE2 LYS 49 -13.694 0.368 -10.070 386 HE3 LYS 49 HE3 LYS 49 -12.930 -1.224 -9.953 387 HZ1 LYS 49 HZ1 LYS 49 -15.085 -2.198 -10.518 388 HZ2 LYS 49 HZ2 LYS 49 -14.723 -1.014 -11.634 389 HZ3 LYS 49 HZ3 LYS 49 -15.799 -0.718 -10.457 390 H ASP 50 H ASP 50 -15.647 0.049 -3.423 391 HA ASP 50 HA ASP 50 -17.807 -1.786 -3.894 392 HB2 ASP 50 HB2 ASP 50 -15.825 -3.168 -4.678 393 HB3 ASP 50 HB3 ASP 50 -15.273 -3.190 -3.005 394 H ARG 51 H ARG 51 -18.881 -0.714 -2.298 395 HA ARG 51 HA ARG 51 -17.856 0.232 0.125 396 HB2 ARG 51 HB2 ARG 51 -20.254 0.493 -0.992 397 HB3 ARG 51 HB3 ARG 51 -20.643 -0.939 -0.007 398 HG2 ARG 51 HG2 ARG 51 -20.378 0.223 2.027 399 HG3 ARG 51 HG3 ARG 51 -19.336 1.450 1.320 400 HD2 ARG 51 HD2 ARG 51 -21.404 2.513 1.801 401 HD3 ARG 51 HD3 ARG 51 -21.273 2.370 0.052 402 HE ARG 51 HE ARG 51 -22.826 0.451 1.745 403 HH11 ARG 51 HH11 ARG 51 -22.927 2.913 -0.838 404 HH12 ARG 51 HH12 ARG 51 -24.488 2.439 -1.403 405 HH21 ARG 51 HH21 ARG 51 -24.907 -0.160 0.973 406 HH22 ARG 51 HH22 ARG 51 -25.647 0.703 -0.320 407 H THR 52 H THR 52 -18.814 -3.145 -0.664 408 HA THR 52 HA THR 52 -18.319 -3.743 2.175 409 HB THR 52 HB THR 52 -19.708 -5.783 1.789 410 HG1 THR 52 HG1 THR 52 -21.212 -5.675 0.203 411 HG21 THR 52 HG21 THR 52 -20.429 -3.724 3.009 412 HG22 THR 52 HG22 THR 52 -21.776 -4.534 2.197 413 HG23 THR 52 HG23 THR 52 -21.077 -3.068 1.491 414 H GLY 53 H GLY 53 -16.572 -3.673 -0.506 415 HA2 GLY 53 HA2 GLY 53 -15.096 -6.230 0.045 416 HA3 GLY 53 HA3 GLY 53 -15.153 -5.397 -1.501 417 H ILE 54 H ILE 54 -14.905 -2.716 0.019 418 HA ILE 54 HA ILE 54 -12.191 -2.262 -0.309 419 HB ILE 54 HB ILE 54 -13.825 -0.525 -0.301 420 HG12 ILE 54 HG12 ILE 54 -12.788 1.185 1.108 421 HG13 ILE 54 HG13 ILE 54 -11.970 -0.036 2.066 422 HG21 ILE 54 HG21 ILE 54 -15.423 -1.347 1.407 423 HG22 ILE 54 HG22 ILE 54 -14.276 -0.881 2.681 424 HG23 ILE 54 HG23 ILE 54 -14.995 0.344 1.630 425 HD11 ILE 54 HD11 ILE 54 -10.480 1.062 0.454 426 HD12 ILE 54 HD12 ILE 54 -10.607 -0.663 0.084 427 HD13 ILE 54 HD13 ILE 54 -11.499 0.529 -0.892 428 H GLN 55 H GLN 55 -13.895 -3.267 2.631 429 HA GLN 55 HA GLN 55 -11.700 -2.915 4.392 430 HB2 GLN 55 HB2 GLN 55 -14.301 -3.588 4.800 431 HB3 GLN 55 HB3 GLN 55 -13.600 -5.198 4.909 432 HG2 GLN 55 HG2 GLN 55 -13.343 -2.882 6.728 433 HG3 GLN 55 HG3 GLN 55 -13.548 -4.595 7.079 434 HE21 GLN 55 HE21 GLN 55 -11.508 -6.034 6.627 435 HE22 GLN 55 HE22 GLN 55 -9.986 -5.298 7.022 436 H ARG 56 H ARG 56 -12.901 -5.949 2.840 437 HA ARG 56 HA ARG 56 -10.724 -7.531 3.642 438 HB2 ARG 56 HB2 ARG 56 -12.703 -7.773 1.350 439 HB3 ARG 56 HB3 ARG 56 -11.449 -8.986 1.606 440 HG2 ARG 56 HG2 ARG 56 -12.732 -8.346 4.167 441 HG3 ARG 56 HG3 ARG 56 -13.955 -8.740 2.981 442 HD2 ARG 56 HD2 ARG 56 -11.491 -10.488 3.398 443 HD3 ARG 56 HD3 ARG 56 -12.928 -10.636 4.412 444 HE ARG 56 HE ARG 56 -14.194 -10.859 2.210 445 HH11 ARG 56 HH11 ARG 56 -11.023 -12.394 2.833 446 HH12 ARG 56 HH12 ARG 56 -11.321 -13.696 1.729 447 HH21 ARG 56 HH21 ARG 56 -14.597 -12.677 0.924 448 HH22 ARG 56 HH22 ARG 56 -13.382 -13.880 0.661 449 H ARG 57 H ARG 57 -10.950 -5.309 0.916 450 HA ARG 57 HA ARG 57 -8.550 -6.133 -0.513 451 HB2 ARG 57 HB2 ARG 57 -10.192 -3.580 -0.321 452 HB3 ARG 57 HB3 ARG 57 -8.695 -3.618 -1.218 453 HG2 ARG 57 HG2 ARG 57 -9.542 -5.224 -2.782 454 HG3 ARG 57 HG3 ARG 57 -10.973 -5.567 -1.798 455 HD2 ARG 57 HD2 ARG 57 -12.010 -3.540 -2.312 456 HD3 ARG 57 HD3 ARG 57 -10.471 -2.727 -2.635 457 HE ARG 57 HE ARG 57 -11.443 -4.847 -4.474 458 HH11 ARG 57 HH11 ARG 57 -11.306 -1.385 -3.983 459 HH12 ARG 57 HH12 ARG 57 -10.558 -0.978 -5.517 460 HH21 ARG 57 HH21 ARG 57 -11.037 -4.320 -6.713 461 HH22 ARG 57 HH22 ARG 57 -10.684 -2.690 -7.194 462 H MET 58 H MET 58 -9.191 -3.589 1.984 463 HA MET 58 HA MET 58 -6.439 -2.898 2.253 464 HB2 MET 58 HB2 MET 58 -8.916 -2.359 3.937 465 HB3 MET 58 HB3 MET 58 -7.296 -1.766 4.358 466 HG2 MET 58 HG2 MET 58 -7.069 -0.822 2.067 467 HG3 MET 58 HG3 MET 58 -8.737 -1.286 1.710 468 HE1 MET 58 HE1 MET 58 -9.360 -0.147 5.115 469 HE2 MET 58 HE2 MET 58 -10.055 1.433 4.715 470 HE3 MET 58 HE3 MET 58 -10.675 -0.043 3.917 471 H ASP 59 H ASP 59 -8.367 -5.405 3.887 472 HA ASP 59 HA ASP 59 -6.615 -5.931 6.053 473 HB2 ASP 59 HB2 ASP 59 -8.531 -7.537 4.460 474 HB3 ASP 59 HB3 ASP 59 -7.377 -8.453 5.398 475 H ILE 60 H ILE 60 -6.557 -6.975 2.645 476 HA ILE 60 HA ILE 60 -4.320 -8.782 2.861 477 HB ILE 60 HB ILE 60 -5.426 -7.268 0.476 478 HG12 ILE 60 HG12 ILE 60 -5.858 -10.198 1.009 479 HG13 ILE 60 HG13 ILE 60 -6.939 -8.999 1.680 480 HG21 ILE 60 HG21 ILE 60 -4.239 -8.962 -0.913 481 HG22 ILE 60 HG22 ILE 60 -3.112 -7.978 -0.003 482 HG23 ILE 60 HG23 ILE 60 -3.488 -9.626 0.547 483 HD11 ILE 60 HD11 ILE 60 -6.386 -9.419 -1.283 484 HD12 ILE 60 HD12 ILE 60 -7.891 -9.733 -0.425 485 HD13 ILE 60 HD13 ILE 60 -7.343 -8.072 -0.615 486 H ALA 61 H ALA 61 -4.674 -5.251 2.229 487 HA ALA 61 HA ALA 61 -1.910 -4.851 1.540 488 HB1 ALA 61 HB1 ALA 61 -3.708 -3.193 1.020 489 HB2 ALA 61 HB2 ALA 61 -3.871 -2.842 2.756 490 HB3 ALA 61 HB3 ALA 61 -2.357 -2.479 1.924 491 H LEU 62 H LEU 62 -3.770 -4.721 4.644 492 HA LEU 62 HA LEU 62 -1.547 -3.921 6.258 493 HB2 LEU 62 HB2 LEU 62 -4.099 -5.433 6.887 494 HB3 LEU 62 HB3 LEU 62 -2.916 -5.024 8.124 495 HG LEU 62 HG LEU 62 -4.133 -2.880 6.358 496 HD11 LEU 62 HD11 LEU 62 -5.125 -3.873 9.068 497 HD12 LEU 62 HD12 LEU 62 -5.966 -4.059 7.510 498 HD13 LEU 62 HD13 LEU 62 -5.725 -2.454 8.193 499 HD21 LEU 62 HD21 LEU 62 -2.049 -2.290 7.634 500 HD22 LEU 62 HD22 LEU 62 -2.848 -2.778 9.134 501 HD23 LEU 62 HD23 LEU 62 -3.455 -1.393 8.205 502 H LEU 63 H LEU 63 -2.503 -7.089 5.057 503 HA LEU 63 HA LEU 63 -0.880 -8.657 6.787 504 HB2 LEU 63 HB2 LEU 63 -2.319 -9.025 4.195 505 HB3 LEU 63 HB3 LEU 63 -0.989 -10.135 4.436 506 HG LEU 63 HG LEU 63 -3.250 -9.745 6.437 507 HD11 LEU 63 HD11 LEU 63 -3.949 -11.987 5.531 508 HD12 LEU 63 HD12 LEU 63 -2.741 -11.804 4.245 509 HD13 LEU 63 HD13 LEU 63 -4.104 -10.662 4.355 510 HD21 LEU 63 HD21 LEU 63 -2.425 -11.934 7.301 511 HD22 LEU 63 HD22 LEU 63 -1.233 -10.642 7.515 512 HD23 LEU 63 HD23 LEU 63 -1.024 -11.830 6.198 513 H GLN 64 H GLN 64 0.244 -6.420 4.538 514 HA GLN 64 HA GLN 64 2.661 -8.000 3.888 515 HB2 GLN 64 HB2 GLN 64 2.050 -5.219 2.901 516 HB3 GLN 64 HB3 GLN 64 3.132 -6.433 2.226 517 HG2 GLN 64 HG2 GLN 64 0.087 -6.453 2.219 518 HG3 GLN 64 HG3 GLN 64 1.114 -6.254 0.838 519 HE21 GLN 64 HE21 GLN 64 -0.945 -8.374 2.009 520 HE22 GLN 64 HE22 GLN 64 -0.223 -9.865 1.399 521 H HIS 65 H HIS 65 1.663 -6.198 6.506 522 HA HIS 65 HA HIS 65 3.759 -4.423 7.070 523 HB2 HIS 65 HB2 HIS 65 1.564 -4.546 8.177 524 HB3 HIS 65 HB3 HIS 65 2.044 -6.026 9.006 525 HD2 HIS 65 HD2 HIS 65 1.320 -4.345 11.118 526 HE1 HIS 65 HE1 HIS 65 4.744 -1.847 10.921 527 HE2 HIS 65 HE2 HIS 65 2.681 -2.422 12.265 528 H GLY 66 H GLY 66 5.798 -4.896 7.212 529 HA2 GLY 66 HA2 GLY 66 7.718 -5.821 8.300 530 HA3 GLY 66 HA3 GLY 66 6.771 -7.189 8.833 531 H THR 67 H THR 67 6.195 -6.697 5.459 532 HA THR 67 HA THR 67 7.615 -9.138 4.865 533 HB THR 67 HB THR 67 7.162 -8.424 2.438 534 HG1 THR 67 HG1 THR 67 5.503 -6.504 3.695 535 HG21 THR 67 HG21 THR 67 5.651 -9.985 3.470 536 HG22 THR 67 HG22 THR 67 4.699 -8.776 2.593 537 HG23 THR 67 HG23 THR 67 4.822 -8.691 4.353 538 H LEU 68 H LEU 68 9.534 -9.428 3.622 539 HA LEU 68 HA LEU 68 11.464 -7.195 3.811 540 HB2 LEU 68 HB2 LEU 68 11.793 -10.131 3.185 541 HB3 LEU 68 HB3 LEU 68 13.092 -8.961 3.043 542 HG LEU 68 HG LEU 68 11.668 -9.579 5.671 543 HD11 LEU 68 HD11 LEU 68 13.792 -10.751 6.211 544 HD12 LEU 68 HD12 LEU 68 14.375 -10.391 4.578 545 HD13 LEU 68 HD13 LEU 68 12.996 -11.490 4.805 546 HD21 LEU 68 HD21 LEU 68 14.203 -7.979 5.022 547 HD22 LEU 68 HD22 LEU 68 13.662 -8.405 6.659 548 HD23 LEU 68 HD23 LEU 68 12.678 -7.351 5.651 549 H LEU 69 H LEU 69 11.293 -5.923 2.085 550 HA LEU 69 HA LEU 69 10.796 -7.075 -0.647 551 HB2 LEU 69 HB2 LEU 69 10.044 -4.487 0.706 552 HB3 LEU 69 HB3 LEU 69 10.633 -4.338 -0.939 553 HG LEU 69 HG LEU 69 8.268 -6.025 -0.065 554 HD11 LEU 69 HD11 LEU 69 6.993 -4.367 -1.419 555 HD12 LEU 69 HD12 LEU 69 8.483 -3.433 -1.675 556 HD13 LEU 69 HD13 LEU 69 7.813 -3.627 -0.042 557 HD21 LEU 69 HD21 LEU 69 8.149 -5.910 -2.826 558 HD22 LEU 69 HD22 LEU 69 8.808 -7.258 -1.898 559 HD23 LEU 69 HD23 LEU 69 9.899 -6.066 -2.560 560 H LYS 70 H LYS 70 12.635 -7.074 -1.957 561 HA LYS 70 HA LYS 70 14.896 -6.890 -2.420 562 HB2 LYS 70 HB2 LYS 70 14.173 -3.995 -2.170 563 HB3 LYS 70 HB3 LYS 70 15.616 -4.570 -2.860 564 HG2 LYS 70 HG2 LYS 70 14.303 -5.637 -4.687 565 HG3 LYS 70 HG3 LYS 70 12.814 -5.172 -3.858 566 HD2 LYS 70 HD2 LYS 70 13.882 -2.705 -4.031 567 HD3 LYS 70 HD3 LYS 70 14.812 -3.449 -5.337 568 HE2 LYS 70 HE2 LYS 70 12.150 -4.303 -5.675 569 HE3 LYS 70 HE3 LYS 70 11.983 -2.602 -5.225 570 HZ1 LYS 70 HZ1 LYS 70 13.611 -3.672 -7.499 571 HZ2 LYS 70 HZ2 LYS 70 13.564 -2.091 -7.049 572 HZ3 LYS 70 HZ3 LYS 70 12.209 -2.816 -7.619 573 H GLU 71 H GLU 71 14.734 -7.719 -0.008 574 HA GLU 71 HA GLU 71 15.831 -8.127 1.920 575 HB2 GLU 71 HB2 GLU 71 18.005 -6.417 0.662 576 HB3 GLU 71 HB3 GLU 71 18.180 -7.391 2.109 577 HG2 GLU 71 HG2 GLU 71 17.555 -9.411 0.876 578 HG3 GLU 71 HG3 GLU 71 17.504 -8.481 -0.636 579 H LYS 72 H LYS 72 14.081 -5.591 1.824 580 HA LYS 72 HA LYS 72 15.133 -4.355 4.346 581 HB2 LYS 72 HB2 LYS 72 13.871 -3.149 1.866 582 HB3 LYS 72 HB3 LYS 72 13.717 -2.363 3.420 583 HG2 LYS 72 HG2 LYS 72 16.504 -3.250 2.685 584 HG3 LYS 72 HG3 LYS 72 15.834 -1.975 1.688 585 HD2 LYS 72 HD2 LYS 72 15.866 -1.885 4.723 586 HD3 LYS 72 HD3 LYS 72 17.132 -1.181 3.709 587 HE2 LYS 72 HE2 LYS 72 15.668 0.461 2.792 588 HE3 LYS 72 HE3 LYS 72 14.226 -0.447 3.239 589 HZ1 LYS 72 HZ1 LYS 72 15.986 0.963 5.125 590 HZ2 LYS 72 HZ2 LYS 72 14.694 0.027 5.550 591 HZ3 LYS 72 HZ3 LYS 72 14.477 1.396 4.671 592 H LYS 73 H LYS 73 13.850 -4.501 6.048 593 HA LYS 73 HA LYS 73 11.242 -5.846 5.913 594 HB2 LYS 73 HB2 LYS 73 13.136 -5.946 7.779 595 HB3 LYS 73 HB3 LYS 73 12.534 -4.368 8.248 596 HG2 LYS 73 HG2 LYS 73 11.443 -5.701 9.727 597 HG3 LYS 73 HG3 LYS 73 10.208 -5.531 8.470 598 HD2 LYS 73 HD2 LYS 73 10.830 -7.736 7.568 599 HD3 LYS 73 HD3 LYS 73 12.132 -7.894 8.775 600 HE2 LYS 73 HE2 LYS 73 10.578 -7.959 10.605 601 HE3 LYS 73 HE3 LYS 73 9.249 -7.409 9.577 602 HZ1 LYS 73 HZ1 LYS 73 9.428 -9.507 8.359 603 HZ2 LYS 73 HZ2 LYS 73 8.951 -9.652 9.904 604 HZ3 LYS 73 HZ3 LYS 73 10.487 -10.090 9.500 605 H ILE 74 H ILE 74 9.565 -4.685 5.162 606 HA ILE 74 HA ILE 74 9.456 -1.758 5.572 607 HB ILE 74 HB ILE 74 7.838 -1.647 3.907 608 HG12 ILE 74 HG12 ILE 74 7.433 -4.066 2.657 609 HG13 ILE 74 HG13 ILE 74 7.520 -4.611 4.317 610 HG21 ILE 74 HG21 ILE 74 10.233 -1.899 3.241 611 HG22 ILE 74 HG22 ILE 74 9.920 -3.611 2.901 612 HG23 ILE 74 HG23 ILE 74 9.070 -2.354 1.978 613 HD11 ILE 74 HD11 ILE 74 5.689 -2.371 3.427 614 HD12 ILE 74 HD12 ILE 74 5.219 -4.077 3.429 615 HD13 ILE 74 HD13 ILE 74 5.641 -3.286 4.955 616 H ASN 75 H ASN 75 7.168 -0.869 5.961 617 HA ASN 75 HA ASN 75 5.705 -2.464 8.037 618 HB2 ASN 75 HB2 ASN 75 5.332 -0.329 9.205 619 HB3 ASN 75 HB3 ASN 75 7.062 -0.721 9.200 620 HD21 ASN 75 HD21 ASN 75 4.467 1.212 7.574 621 HD22 ASN 75 HD22 ASN 75 5.542 2.520 7.108 622 H VAL 76 H VAL 76 3.444 -1.883 8.271 623 HA VAL 76 HA VAL 76 2.321 -0.194 6.116 624 HB VAL 76 HB VAL 76 1.450 -3.033 6.766 625 HG11 VAL 76 HG11 VAL 76 0.403 -0.981 4.770 626 HG12 VAL 76 HG12 VAL 76 -0.216 -2.622 4.937 627 HG13 VAL 76 HG13 VAL 76 -0.456 -1.470 6.243 628 HG21 VAL 76 HG21 VAL 76 3.403 -3.055 5.257 629 HG22 VAL 76 HG22 VAL 76 1.922 -3.627 4.490 630 HG23 VAL 76 HG23 VAL 76 2.510 -2.005 4.128 631 H GLU 77 H GLU 77 0.661 1.104 6.997 632 HA GLU 77 HA GLU 77 -0.658 0.307 9.478 633 HB2 GLU 77 HB2 GLU 77 0.429 3.103 9.285 634 HB3 GLU 77 HB3 GLU 77 -0.097 2.261 10.703 635 HG2 GLU 77 HG2 GLU 77 2.525 1.781 9.209 636 HG3 GLU 77 HG3 GLU 77 2.318 2.872 10.556 637 H LEU 78 H LEU 78 -2.582 1.836 9.879 638 HA LEU 78 HA LEU 78 -3.892 2.487 7.367 639 HB2 LEU 78 HB2 LEU 78 -4.621 1.958 10.149 640 HB3 LEU 78 HB3 LEU 78 -5.288 3.499 9.702 641 HG LEU 78 HG LEU 78 -6.852 1.737 9.408 642 HD11 LEU 78 HD11 LEU 78 -6.979 3.698 7.902 643 HD12 LEU 78 HD12 LEU 78 -7.614 2.242 7.129 644 HD13 LEU 78 HD13 LEU 78 -6.006 2.835 6.690 645 HD21 LEU 78 HD21 LEU 78 -6.620 -0.043 7.759 646 HD22 LEU 78 HD22 LEU 78 -5.341 -0.122 8.975 647 HD23 LEU 78 HD23 LEU 78 -4.975 0.505 7.354 648 H THR 79 H THR 79 -4.650 4.579 6.773 649 HA THR 79 HA THR 79 -3.696 6.896 8.304 650 HB THR 79 HB THR 79 -3.337 7.006 5.331 651 HG1 THR 79 HG1 THR 79 -1.535 5.857 5.290 652 HG21 THR 79 HG21 THR 79 -1.575 7.907 7.651 653 HG22 THR 79 HG22 THR 79 -2.783 8.937 6.840 654 HG23 THR 79 HG23 THR 79 -1.366 8.345 5.944 655 H VAL 80 H VAL 80 -5.005 8.661 8.054 656 HA VAL 80 HA VAL 80 -6.751 9.968 7.615 657 HB VAL 80 HB VAL 80 -7.059 8.497 4.976 658 HG11 VAL 80 HG11 VAL 80 -9.076 9.777 5.505 659 HG12 VAL 80 HG12 VAL 80 -8.087 11.212 5.875 660 HG13 VAL 80 HG13 VAL 80 -8.159 10.561 4.220 661 HG21 VAL 80 HG21 VAL 80 -4.824 9.440 5.116 662 HG22 VAL 80 HG22 VAL 80 -5.793 10.548 4.139 663 HG23 VAL 80 HG23 VAL 80 -5.456 10.940 5.826 664 H GLY 81 H GLY 81 -7.633 6.653 6.844 665 HA2 GLY 81 HA2 GLY 81 -10.306 7.005 8.094 666 HA3 GLY 81 HA3 GLY 81 -9.807 5.689 7.021 667 H GLY 82 H GLY 82 -7.529 6.520 9.506 668 HA2 GLY 82 HA2 GLY 82 -7.833 3.925 10.800 669 HA3 GLY 82 HA3 GLY 82 -6.714 5.240 11.247 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -15.198 12.305 -2.604 2 HA2 GLY 1 HA2 GLY 1 -13.547 11.471 -0.919 3 HA3 GLY 1 HA3 GLY 1 -14.884 12.413 -0.235 4 H ASN 2 H ASN 2 -14.175 8.994 -1.123 5 HA ASN 2 HA ASN 2 -15.094 8.112 1.538 6 HB2 ASN 2 HB2 ASN 2 -16.416 6.247 0.528 7 HB3 ASN 2 HB3 ASN 2 -17.152 7.831 0.368 8 HD21 ASN 2 HD21 ASN 2 -14.673 6.120 -1.645 9 HD22 ASN 2 HD22 ASN 2 -15.498 6.328 -3.152 10 H ARG 3 H ARG 3 -12.496 8.524 0.531 11 HA ARG 3 HA ARG 3 -11.600 5.730 -0.004 12 HB2 ARG 3 HB2 ARG 3 -9.597 6.667 -1.035 13 HB3 ARG 3 HB3 ARG 3 -11.059 7.003 -1.948 14 HG2 ARG 3 HG2 ARG 3 -11.036 9.277 -1.508 15 HG3 ARG 3 HG3 ARG 3 -10.070 9.109 -0.027 16 HD2 ARG 3 HD2 ARG 3 -8.090 8.520 -1.270 17 HD3 ARG 3 HD3 ARG 3 -9.017 8.382 -2.774 18 HE ARG 3 HE ARG 3 -8.441 10.517 -3.133 19 HH11 ARG 3 HH11 ARG 3 -8.592 10.294 0.430 20 HH12 ARG 3 HH12 ARG 3 -8.232 11.985 0.631 21 HH21 ARG 3 HH21 ARG 3 -7.651 12.479 -2.818 22 HH22 ARG 3 HH22 ARG 3 -7.352 13.157 -1.262 23 H PHE 4 H PHE 4 -9.858 4.969 0.980 24 HA PHE 4 HA PHE 4 -8.925 6.300 3.477 25 HB2 PHE 4 HB2 PHE 4 -9.346 3.368 2.717 26 HB3 PHE 4 HB3 PHE 4 -8.533 3.901 4.184 27 HD1 PHE 4 HD2 PHE 4 -11.847 4.310 2.365 28 HD2 PHE 4 HD1 PHE 4 -9.800 4.034 6.162 29 HE1 PHE 4 HE2 PHE 4 -13.993 4.529 3.534 30 HE2 PHE 4 HE1 PHE 4 -11.995 4.118 7.325 31 HZ PHE 4 HZ PHE 4 -14.089 4.430 6.021 32 H ILE 5 H ILE 5 -6.572 5.630 3.939 33 HA ILE 5 HA ILE 5 -5.075 5.124 1.443 34 HB ILE 5 HB ILE 5 -4.562 7.319 3.483 35 HG12 ILE 5 HG12 ILE 5 -4.909 7.955 0.563 36 HG13 ILE 5 HG13 ILE 5 -6.370 7.623 1.452 37 HG21 ILE 5 HG21 ILE 5 -2.959 6.599 0.980 38 HG22 ILE 5 HG22 ILE 5 -2.708 8.054 1.972 39 HG23 ILE 5 HG23 ILE 5 -2.407 6.469 2.669 40 HD11 ILE 5 HD11 ILE 5 -4.355 9.734 2.256 41 HD12 ILE 5 HD12 ILE 5 -5.909 9.994 1.427 42 HD13 ILE 5 HD13 ILE 5 -5.889 9.336 3.072 43 H VAL 6 H VAL 6 -3.074 4.073 1.816 44 HA VAL 6 HA VAL 6 -2.702 2.935 4.554 45 HB VAL 6 HB VAL 6 -2.272 1.554 1.875 46 HG11 VAL 6 HG11 VAL 6 -0.591 0.860 3.526 47 HG12 VAL 6 HG12 VAL 6 -1.863 0.551 4.726 48 HG13 VAL 6 HG13 VAL 6 -1.754 -0.442 3.253 49 HG21 VAL 6 HG21 VAL 6 -4.048 0.000 2.712 50 HG22 VAL 6 HG22 VAL 6 -4.318 1.081 4.095 51 HG23 VAL 6 HG23 VAL 6 -4.650 1.639 2.438 52 H PHE 7 H PHE 7 -0.841 3.439 5.417 53 HA PHE 7 HA PHE 7 1.194 4.932 3.882 54 HB2 PHE 7 HB2 PHE 7 0.438 5.784 6.104 55 HB3 PHE 7 HB3 PHE 7 0.847 4.254 6.842 56 HD1 PHE 7 HD1 PHE 7 3.266 3.581 7.135 57 HD2 PHE 7 HD2 PHE 7 2.186 7.435 5.540 58 HE1 PHE 7 HE1 PHE 7 5.511 4.428 7.674 59 HE2 PHE 7 HE2 PHE 7 4.465 8.231 5.950 60 HZ PHE 7 HZ PHE 7 6.138 6.713 7.056 61 H VAL 8 H VAL 8 3.159 3.949 3.395 62 HA VAL 8 HA VAL 8 3.781 1.342 4.644 63 HB VAL 8 HB VAL 8 4.127 1.868 1.671 64 HG11 VAL 8 HG11 VAL 8 5.544 0.090 2.891 65 HG12 VAL 8 HG12 VAL 8 4.063 -0.799 3.127 66 HG13 VAL 8 HG13 VAL 8 4.619 -0.467 1.479 67 HG21 VAL 8 HG21 VAL 8 2.235 0.342 1.244 68 HG22 VAL 8 HG22 VAL 8 1.849 0.328 2.982 69 HG23 VAL 8 HG23 VAL 8 1.702 1.821 2.029 70 H GLY 9 H GLY 9 6.004 1.398 5.361 71 HA2 GLY 9 HA2 GLY 9 7.741 3.353 3.987 72 HA3 GLY 9 HA3 GLY 9 7.583 3.616 5.674 73 H SER 10 H SER 10 9.950 3.334 5.241 74 HA SER 10 HA SER 10 11.913 2.322 5.563 75 HB2 SER 10 HB2 SER 10 10.146 0.627 6.967 76 HB3 SER 10 HB3 SER 10 11.104 -0.459 5.979 77 HG SER 10 HG SER 10 12.259 1.581 7.596 78 H LEU 11 H LEU 11 10.191 2.168 2.979 79 HA LEU 11 HA LEU 11 10.897 -0.080 1.480 80 HB2 LEU 11 HB2 LEU 11 10.167 2.744 0.684 81 HB3 LEU 11 HB3 LEU 11 10.668 1.589 -0.532 82 HG LEU 11 HG LEU 11 8.886 0.066 -0.012 83 HD11 LEU 11 HD11 LEU 11 7.016 0.851 1.549 84 HD12 LEU 11 HD12 LEU 11 8.097 2.121 2.139 85 HD13 LEU 11 HD13 LEU 11 8.484 0.410 2.404 86 HD21 LEU 11 HD21 LEU 11 8.392 1.780 -1.606 87 HD22 LEU 11 HD22 LEU 11 7.946 2.940 -0.332 88 HD23 LEU 11 HD23 LEU 11 6.946 1.497 -0.654 89 HA PRO 12 HA PRO 12 15.214 0.414 0.676 90 HB2 PRO 12 HB2 PRO 12 15.303 -0.905 -1.857 91 HB3 PRO 12 HB3 PRO 12 15.463 -1.672 -0.262 92 HG2 PRO 12 HG2 PRO 12 13.131 -1.563 -2.088 93 HG3 PRO 12 HG3 PRO 12 13.535 -2.776 -0.830 94 HD2 PRO 12 HD2 PRO 12 11.576 -0.820 -0.605 95 HD3 PRO 12 HD3 PRO 12 12.346 -1.659 0.767 96 H ARG 13 H ARG 13 16.697 1.557 -0.748 97 HA ARG 13 HA ARG 13 15.478 3.816 -2.124 98 HB2 ARG 13 HB2 ARG 13 18.329 2.786 -1.834 99 HB3 ARG 13 HB3 ARG 13 17.941 3.994 -3.057 100 HG2 ARG 13 HG2 ARG 13 18.697 5.211 -1.212 101 HG3 ARG 13 HG3 ARG 13 16.952 5.454 -1.291 102 HD2 ARG 13 HD2 ARG 13 16.728 3.660 0.502 103 HD3 ARG 13 HD3 ARG 13 18.489 3.656 0.642 104 HE ARG 13 HE ARG 13 16.559 5.649 1.519 105 HH11 ARG 13 HH11 ARG 13 20.072 5.049 1.133 106 HH12 ARG 13 HH12 ARG 13 20.511 6.630 1.687 107 HH21 ARG 13 HH21 ARG 13 17.196 7.659 2.397 108 HH22 ARG 13 HH22 ARG 13 18.859 8.112 2.443 109 H ASP 14 H ASP 14 16.795 0.720 -3.173 110 HA ASP 14 HA ASP 14 16.572 1.252 -6.001 111 HB2 ASP 14 HB2 ASP 14 17.799 -0.702 -4.312 112 HB3 ASP 14 HB3 ASP 14 16.791 -1.566 -5.460 113 H ILE 15 H ILE 15 14.041 1.109 -4.033 114 HA ILE 15 HA ILE 15 12.397 -1.005 -4.755 115 HB ILE 15 HB ILE 15 12.023 0.528 -2.922 116 HG12 ILE 15 HG12 ILE 15 9.581 0.926 -3.214 117 HG13 ILE 15 HG13 ILE 15 9.749 0.366 -4.917 118 HG21 ILE 15 HG21 ILE 15 11.281 2.772 -3.161 119 HG22 ILE 15 HG22 ILE 15 12.694 2.653 -4.180 120 HG23 ILE 15 HG23 ILE 15 11.095 2.600 -4.934 121 HD11 ILE 15 HD11 ILE 15 10.169 -1.810 -4.258 122 HD12 ILE 15 HD12 ILE 15 10.669 -1.351 -2.604 123 HD13 ILE 15 HD13 ILE 15 8.972 -1.264 -3.077 124 H THR 16 H THR 16 10.749 -1.383 -6.429 125 HA THR 16 HA THR 16 10.794 0.459 -8.713 126 HB THR 16 HB THR 16 10.300 -2.453 -9.024 127 HG1 THR 16 HG1 THR 16 12.956 -1.406 -8.904 128 HG21 THR 16 HG21 THR 16 11.777 -0.424 -10.707 129 HG22 THR 16 HG22 THR 16 10.144 -1.063 -10.974 130 HG23 THR 16 HG23 THR 16 11.549 -2.135 -11.120 131 H ALA 17 H ALA 17 8.885 0.665 -9.794 132 HA ALA 17 HA ALA 17 6.442 0.578 -8.442 133 HB1 ALA 17 HB1 ALA 17 7.134 0.431 -11.415 134 HB2 ALA 17 HB2 ALA 17 5.553 0.927 -10.758 135 HB3 ALA 17 HB3 ALA 17 7.001 1.930 -10.475 136 H VAL 18 H VAL 18 8.030 -1.858 -10.527 137 HA VAL 18 HA VAL 18 5.804 -3.560 -10.910 138 HB VAL 18 HB VAL 18 8.748 -4.372 -10.735 139 HG11 VAL 18 HG11 VAL 18 6.415 -5.643 -12.252 140 HG12 VAL 18 HG12 VAL 18 8.108 -6.170 -12.321 141 HG13 VAL 18 HG13 VAL 18 7.211 -6.313 -10.809 142 HG21 VAL 18 HG21 VAL 18 8.801 -4.059 -13.198 143 HG22 VAL 18 HG22 VAL 18 7.174 -3.364 -13.136 144 HG23 VAL 18 HG23 VAL 18 8.546 -2.535 -12.356 145 H GLU 19 H GLU 19 8.221 -3.426 -8.232 146 HA GLU 19 HA GLU 19 7.229 -5.860 -6.969 147 HB2 GLU 19 HB2 GLU 19 9.074 -3.554 -6.261 148 HB3 GLU 19 HB3 GLU 19 8.633 -4.704 -5.033 149 HG2 GLU 19 HG2 GLU 19 9.795 -5.535 -7.735 150 HG3 GLU 19 HG3 GLU 19 10.799 -5.132 -6.373 151 H LEU 20 H LEU 20 6.623 -2.383 -6.677 152 HA LEU 20 HA LEU 20 4.905 -2.468 -4.405 153 HB2 LEU 20 HB2 LEU 20 5.848 -0.549 -6.432 154 HB3 LEU 20 HB3 LEU 20 4.130 -0.344 -6.206 155 HG LEU 20 HG LEU 20 4.427 -0.016 -3.791 156 HD11 LEU 20 HD11 LEU 20 7.397 -0.242 -4.466 157 HD12 LEU 20 HD12 LEU 20 6.498 -1.328 -3.391 158 HD13 LEU 20 HD13 LEU 20 6.749 0.346 -2.909 159 HD21 LEU 20 HD21 LEU 20 5.594 2.160 -3.981 160 HD22 LEU 20 HD22 LEU 20 4.498 1.896 -5.337 161 HD23 LEU 20 HD23 LEU 20 6.242 1.662 -5.590 162 H GLN 21 H GLN 21 4.156 -2.459 -7.900 163 HA GLN 21 HA GLN 21 1.324 -2.592 -7.621 164 HB2 GLN 21 HB2 GLN 21 3.200 -3.477 -9.835 165 HB3 GLN 21 HB3 GLN 21 1.458 -3.425 -10.009 166 HG2 GLN 21 HG2 GLN 21 2.663 -0.863 -9.050 167 HG3 GLN 21 HG3 GLN 21 3.272 -1.408 -10.597 168 HE21 GLN 21 HE21 GLN 21 -0.104 -2.374 -10.406 169 HE22 GLN 21 HE22 GLN 21 -0.632 -1.068 -11.406 170 H ASN 22 H ASN 22 3.843 -5.137 -7.918 171 HA ASN 22 HA ASN 22 2.066 -7.361 -8.027 172 HB2 ASN 22 HB2 ASN 22 4.426 -7.490 -8.696 173 HB3 ASN 22 HB3 ASN 22 4.956 -7.095 -7.055 174 HD21 ASN 22 HD21 ASN 22 5.776 -8.917 -6.078 175 HD22 ASN 22 HD22 ASN 22 5.173 -10.533 -6.325 176 H HIS 23 H HIS 23 3.857 -6.043 -5.130 177 HA HIS 23 HA HIS 23 2.781 -7.957 -3.347 178 HB2 HIS 23 HB2 HIS 23 4.212 -5.385 -3.125 179 HB3 HIS 23 HB3 HIS 23 3.062 -5.636 -1.816 180 HD2 HIS 23 HD2 HIS 23 3.880 -7.087 0.164 181 HE1 HIS 23 HE1 HIS 23 7.179 -8.985 -1.727 182 HE2 HIS 23 HE2 HIS 23 5.869 -8.786 0.454 183 H PHE 24 H PHE 24 1.519 -4.682 -4.126 184 HA PHE 24 HA PHE 24 -0.893 -5.256 -2.518 185 HB2 PHE 24 HB2 PHE 24 -0.045 -2.792 -4.054 186 HB3 PHE 24 HB3 PHE 24 -1.472 -2.924 -3.029 187 HD1 PHE 24 HD2 PHE 24 -1.110 -3.724 -0.557 188 HD2 PHE 24 HD1 PHE 24 2.012 -2.111 -3.038 189 HE1 PHE 24 HE2 PHE 24 0.198 -3.117 1.475 190 HE2 PHE 24 HE1 PHE 24 3.287 -1.439 -1.041 191 HZ PHE 24 HZ PHE 24 2.383 -1.970 1.247 192 H LYS 25 H LYS 25 -0.134 -6.245 -5.592 193 HA LYS 25 HA LYS 25 -2.354 -5.584 -7.084 194 HB2 LYS 25 HB2 LYS 25 -0.231 -7.305 -7.444 195 HB3 LYS 25 HB3 LYS 25 -1.587 -8.396 -7.398 196 HG2 LYS 25 HG2 LYS 25 -2.678 -6.600 -9.050 197 HG3 LYS 25 HG3 LYS 25 -1.003 -6.076 -9.201 198 HD2 LYS 25 HD2 LYS 25 -1.421 -7.536 -11.024 199 HD3 LYS 25 HD3 LYS 25 -0.424 -8.470 -9.891 200 HE2 LYS 25 HE2 LYS 25 -2.115 -9.973 -9.478 201 HE3 LYS 25 HE3 LYS 25 -3.317 -8.694 -9.333 202 HZ1 LYS 25 HZ1 LYS 25 -3.922 -9.978 -11.147 203 HZ2 LYS 25 HZ2 LYS 25 -2.410 -9.931 -11.842 204 HZ3 LYS 25 HZ3 LYS 25 -3.368 -8.586 -11.760 205 H ASN 26 H ASN 26 -2.138 -8.287 -4.747 206 HA ASN 26 HA ASN 26 -4.790 -9.229 -5.169 207 HB2 ASN 26 HB2 ASN 26 -2.975 -9.428 -2.727 208 HB3 ASN 26 HB3 ASN 26 -4.559 -10.204 -2.837 209 HD21 ASN 26 HD21 ASN 26 -1.208 -10.833 -3.498 210 HD22 ASN 26 HD22 ASN 26 -1.488 -12.021 -4.722 211 H SER 27 H SER 27 -3.648 -6.520 -3.145 212 HA SER 27 HA SER 27 -6.298 -6.130 -1.952 213 HB2 SER 27 HB2 SER 27 -5.056 -4.059 -1.020 214 HB3 SER 27 HB3 SER 27 -4.624 -5.652 -0.439 215 HG SER 27 HG SER 27 -3.225 -4.512 -2.603 216 H SER 28 H SER 28 -4.828 -5.305 -4.906 217 HA SER 28 HA SER 28 -5.208 -3.811 -6.551 218 HB2 SER 28 HB2 SER 28 -8.097 -4.123 -5.745 219 HB3 SER 28 HB3 SER 28 -7.462 -3.677 -7.333 220 HG SER 28 HG SER 28 -7.630 -6.114 -6.043 221 HA PRO 29 HA PRO 29 -5.699 -0.022 -3.836 222 HB2 PRO 29 HB2 PRO 29 -3.340 1.205 -4.566 223 HB3 PRO 29 HB3 PRO 29 -3.468 0.040 -3.222 224 HG2 PRO 29 HG2 PRO 29 -2.603 -0.494 -6.071 225 HG3 PRO 29 HG3 PRO 29 -1.807 -1.043 -4.569 226 HD2 PRO 29 HD2 PRO 29 -3.425 -2.700 -5.913 227 HD3 PRO 29 HD3 PRO 29 -3.497 -2.623 -4.120 228 H ASP 30 H ASP 30 -6.031 2.211 -4.628 229 HA ASP 30 HA ASP 30 -6.945 2.215 -7.417 230 HB2 ASP 30 HB2 ASP 30 -8.422 3.003 -5.515 231 HB3 ASP 30 HB3 ASP 30 -7.287 4.328 -5.252 232 H GLN 31 H GLN 31 -4.706 3.777 -5.151 233 HA GLN 31 HA GLN 31 -3.363 5.040 -7.451 234 HB2 GLN 31 HB2 GLN 31 -4.710 6.389 -5.434 235 HB3 GLN 31 HB3 GLN 31 -3.065 6.342 -4.802 236 HG2 GLN 31 HG2 GLN 31 -3.426 8.387 -6.027 237 HG3 GLN 31 HG3 GLN 31 -2.270 7.400 -6.921 238 HE21 GLN 31 HE21 GLN 31 -2.708 7.400 -9.133 239 HE22 GLN 31 HE22 GLN 31 -4.326 7.619 -9.810 240 H ILE 32 H ILE 32 -1.030 5.402 -7.220 241 HA ILE 32 HA ILE 32 0.327 3.903 -5.098 242 HB ILE 32 HB ILE 32 0.700 3.364 -8.085 243 HG12 ILE 32 HG12 ILE 32 -0.257 1.498 -5.859 244 HG13 ILE 32 HG13 ILE 32 -1.275 2.174 -7.128 245 HG21 ILE 32 HG21 ILE 32 2.187 2.036 -5.799 246 HG22 ILE 32 HG22 ILE 32 2.477 1.829 -7.534 247 HG23 ILE 32 HG23 ILE 32 2.864 3.363 -6.767 248 HD11 ILE 32 HD11 ILE 32 -0.051 0.978 -8.853 249 HD12 ILE 32 HD12 ILE 32 0.952 0.189 -7.610 250 HD13 ILE 32 HD13 ILE 32 -0.788 -0.101 -7.651 251 H ARG 33 H ARG 33 1.771 5.417 -4.318 252 HA ARG 33 HA ARG 33 3.232 7.155 -6.196 253 HB2 ARG 33 HB2 ARG 33 1.116 8.134 -4.754 254 HB3 ARG 33 HB3 ARG 33 2.383 8.417 -3.595 255 HG2 ARG 33 HG2 ARG 33 2.317 9.380 -6.473 256 HG3 ARG 33 HG3 ARG 33 1.955 10.327 -5.049 257 HD2 ARG 33 HD2 ARG 33 4.061 11.069 -5.235 258 HD3 ARG 33 HD3 ARG 33 4.459 9.602 -4.350 259 HE ARG 33 HE ARG 33 5.667 8.935 -6.174 260 HH11 ARG 33 HH11 ARG 33 3.511 11.514 -7.369 261 HH12 ARG 33 HH12 ARG 33 3.598 11.010 -9.023 262 HH21 ARG 33 HH21 ARG 33 6.143 8.603 -8.358 263 HH22 ARG 33 HH22 ARG 33 5.388 9.497 -9.623 264 H LEU 34 H LEU 34 5.181 6.293 -5.910 265 HA LEU 34 HA LEU 34 6.150 5.422 -3.255 266 HB2 LEU 34 HB2 LEU 34 6.446 3.999 -5.197 267 HB3 LEU 34 HB3 LEU 34 7.297 5.243 -6.076 268 HG LEU 34 HG LEU 34 8.607 3.229 -4.943 269 HD11 LEU 34 HD11 LEU 34 9.701 5.060 -6.132 270 HD12 LEU 34 HD12 LEU 34 10.577 4.741 -4.634 271 HD13 LEU 34 HD13 LEU 34 9.520 6.142 -4.748 272 HD21 LEU 34 HD21 LEU 34 9.331 3.514 -2.723 273 HD22 LEU 34 HD22 LEU 34 7.579 3.709 -2.675 274 HD23 LEU 34 HD23 LEU 34 8.656 5.120 -2.569 275 H ARG 35 H ARG 35 7.235 6.855 -1.931 276 HA ARG 35 HA ARG 35 8.556 9.236 -3.155 277 HB2 ARG 35 HB2 ARG 35 6.955 8.901 -0.617 278 HB3 ARG 35 HB3 ARG 35 8.376 9.953 -0.618 279 HG2 ARG 35 HG2 ARG 35 7.382 10.978 -2.807 280 HG3 ARG 35 HG3 ARG 35 5.854 10.253 -2.266 281 HD2 ARG 35 HD2 ARG 35 5.964 11.542 -0.187 282 HD3 ARG 35 HD3 ARG 35 7.633 11.999 -0.515 283 HE ARG 35 HE ARG 35 5.203 12.952 -1.966 284 HH11 ARG 35 HH11 ARG 35 8.656 13.492 -1.059 285 HH12 ARG 35 HH12 ARG 35 8.601 15.160 -1.541 286 HH21 ARG 35 HH21 ARG 35 5.464 14.883 -3.192 287 HH22 ARG 35 HH22 ARG 35 6.819 15.897 -2.915 288 H ALA 36 H ALA 36 10.349 7.979 -3.660 289 HA ALA 36 HA ALA 36 11.743 6.291 -1.881 290 HB1 ALA 36 HB1 ALA 36 12.179 6.331 -4.286 291 HB2 ALA 36 HB2 ALA 36 12.768 7.994 -4.181 292 HB3 ALA 36 HB3 ALA 36 13.674 6.679 -3.402 293 H ASP 37 H ASP 37 11.746 9.845 -2.146 294 HA ASP 37 HA ASP 37 14.083 10.446 -0.826 295 HB2 ASP 37 HB2 ASP 37 13.303 12.586 -0.423 296 HB3 ASP 37 HB3 ASP 37 12.544 12.102 -1.921 297 H LYS 38 H LYS 38 11.168 9.180 0.674 298 HA LYS 38 HA LYS 38 12.578 9.285 3.298 299 HB2 LYS 38 HB2 LYS 38 9.845 10.204 2.529 300 HB3 LYS 38 HB3 LYS 38 9.945 9.325 4.048 301 HG2 LYS 38 HG2 LYS 38 11.683 11.730 3.423 302 HG3 LYS 38 HG3 LYS 38 10.114 11.772 4.252 303 HD2 LYS 38 HD2 LYS 38 11.089 10.073 5.928 304 HD3 LYS 38 HD3 LYS 38 12.677 10.462 5.235 305 HE2 LYS 38 HE2 LYS 38 12.220 12.894 5.734 306 HE3 LYS 38 HE3 LYS 38 10.671 12.418 6.445 307 HZ1 LYS 38 HZ1 LYS 38 12.096 12.599 8.224 308 HZ2 LYS 38 HZ2 LYS 38 13.372 11.871 7.520 309 HZ3 LYS 38 HZ3 LYS 38 12.092 10.985 8.003 310 H GLY 39 H GLY 39 11.942 7.234 0.944 311 HA2 GLY 39 HA2 GLY 39 11.662 4.970 0.759 312 HA3 GLY 39 HA3 GLY 39 12.167 4.858 2.453 313 H ILE 40 H ILE 40 9.224 6.363 0.912 314 HA ILE 40 HA ILE 40 7.519 4.462 2.332 315 HB ILE 40 HB ILE 40 6.058 6.629 2.759 316 HG12 ILE 40 HG12 ILE 40 8.731 7.870 2.967 317 HG13 ILE 40 HG13 ILE 40 7.856 7.996 1.429 318 HG21 ILE 40 HG21 ILE 40 6.759 5.410 4.652 319 HG22 ILE 40 HG22 ILE 40 8.463 5.906 4.473 320 HG23 ILE 40 HG23 ILE 40 7.214 7.068 4.971 321 HD11 ILE 40 HD11 ILE 40 7.495 10.022 2.717 322 HD12 ILE 40 HD12 ILE 40 5.987 9.124 2.521 323 HD13 ILE 40 HD13 ILE 40 6.854 9.078 4.077 324 H ALA 41 H ALA 41 5.218 4.870 1.642 325 HA ALA 41 HA ALA 41 4.930 5.917 -1.061 326 HB1 ALA 41 HB1 ALA 41 5.651 3.509 -1.314 327 HB2 ALA 41 HB2 ALA 41 4.235 3.025 -0.345 328 HB3 ALA 41 HB3 ALA 41 4.028 3.823 -1.916 329 H PHE 42 H PHE 42 2.549 5.733 -1.672 330 HA PHE 42 HA PHE 42 0.696 5.824 0.645 331 HB2 PHE 42 HB2 PHE 42 0.781 7.831 -1.666 332 HB3 PHE 42 HB3 PHE 42 -0.444 7.743 -0.422 333 HD1 PHE 42 HD1 PHE 42 3.169 8.487 -1.020 334 HD2 PHE 42 HD2 PHE 42 -0.206 8.948 1.640 335 HE1 PHE 42 HE1 PHE 42 4.418 10.173 0.301 336 HE2 PHE 42 HE2 PHE 42 1.044 10.661 2.916 337 HZ PHE 42 HZ PHE 42 3.349 11.287 2.246 338 H LEU 43 H LEU 43 -1.206 4.780 0.103 339 HA LEU 43 HA LEU 43 -1.713 4.107 -2.736 340 HB2 LEU 43 HB2 LEU 43 -1.729 2.124 -0.422 341 HB3 LEU 43 HB3 LEU 43 -2.396 1.843 -2.031 342 HG LEU 43 HG LEU 43 0.133 2.590 -2.719 343 HD11 LEU 43 HD11 LEU 43 0.442 1.041 -0.114 344 HD12 LEU 43 HD12 LEU 43 0.866 2.747 -0.306 345 HD13 LEU 43 HD13 LEU 43 1.757 1.511 -1.211 346 HD21 LEU 43 HD21 LEU 43 0.656 0.161 -2.870 347 HD22 LEU 43 HD22 LEU 43 -0.866 0.679 -3.603 348 HD23 LEU 43 HD23 LEU 43 -0.871 -0.173 -2.026 349 H GLU 44 H GLU 44 -3.745 4.875 -3.150 350 HA GLU 44 HA GLU 44 -5.519 5.395 -0.812 351 HB2 GLU 44 HB2 GLU 44 -6.014 6.271 -3.681 352 HB3 GLU 44 HB3 GLU 44 -6.779 6.831 -2.201 353 HG2 GLU 44 HG2 GLU 44 -4.438 7.672 -1.500 354 HG3 GLU 44 HG3 GLU 44 -3.945 7.414 -3.146 355 H PHE 45 H PHE 45 -7.674 4.510 -0.869 356 HA PHE 45 HA PHE 45 -8.287 2.482 -2.945 357 HB2 PHE 45 HB2 PHE 45 -8.388 2.030 0.064 358 HB3 PHE 45 HB3 PHE 45 -9.031 0.958 -1.169 359 HD1 PHE 45 HD2 PHE 45 -5.779 2.489 -0.011 360 HD2 PHE 45 HD1 PHE 45 -7.760 -0.876 -1.861 361 HE1 PHE 45 HE2 PHE 45 -3.702 1.179 0.124 362 HE2 PHE 45 HE1 PHE 45 -5.709 -2.195 -1.606 363 HZ PHE 45 HZ PHE 45 -3.635 -1.176 -0.676 364 H ASP 46 H ASP 46 -10.156 3.266 -3.742 365 HA ASP 46 HA ASP 46 -11.896 5.009 -2.154 366 HB2 ASP 46 HB2 ASP 46 -11.161 5.541 -4.460 367 HB3 ASP 46 HB3 ASP 46 -12.158 4.207 -5.038 368 H ALA 47 H ALA 47 -13.601 4.350 -1.011 369 HA ALA 47 HA ALA 47 -14.360 1.623 -0.847 370 HB1 ALA 47 HB1 ALA 47 -15.905 4.048 0.118 371 HB2 ALA 47 HB2 ALA 47 -16.094 2.377 0.661 372 HB3 ALA 47 HB3 ALA 47 -14.591 3.249 1.016 373 H ASP 48 H ASP 48 -15.790 4.387 -2.673 374 HA ASP 48 HA ASP 48 -18.188 3.001 -3.402 375 HB2 ASP 48 HB2 ASP 48 -18.102 5.379 -3.616 376 HB3 ASP 48 HB3 ASP 48 -16.727 5.318 -4.706 377 H LYS 49 H LYS 49 -14.833 2.927 -4.643 378 HA LYS 49 HA LYS 49 -15.380 1.701 -7.092 379 HB2 LYS 49 HB2 LYS 49 -13.204 2.679 -6.072 380 HB3 LYS 49 HB3 LYS 49 -12.923 1.048 -5.423 381 HG2 LYS 49 HG2 LYS 49 -12.988 0.152 -7.718 382 HG3 LYS 49 HG3 LYS 49 -13.373 1.789 -8.313 383 HD2 LYS 49 HD2 LYS 49 -11.186 2.600 -7.560 384 HD3 LYS 49 HD3 LYS 49 -10.798 1.005 -6.861 385 HE2 LYS 49 HE2 LYS 49 -10.914 -0.040 -9.086 386 HE3 LYS 49 HE3 LYS 49 -11.466 1.483 -9.794 387 HZ1 LYS 49 HZ1 LYS 49 -9.226 1.390 -10.258 388 HZ2 LYS 49 HZ2 LYS 49 -8.802 0.861 -8.750 389 HZ3 LYS 49 HZ3 LYS 49 -9.287 2.422 -8.982 390 H ASP 50 H ASP 50 -15.649 0.294 -3.894 391 HA ASP 50 HA ASP 50 -16.736 -2.131 -4.905 392 HB2 ASP 50 HB2 ASP 50 -14.334 -2.762 -5.143 393 HB3 ASP 50 HB3 ASP 50 -14.134 -2.584 -3.403 394 H ARG 51 H ARG 51 -18.411 -1.422 -3.687 395 HA ARG 51 HA ARG 51 -18.392 -0.482 -1.026 396 HB2 ARG 51 HB2 ARG 51 -20.357 -1.246 -3.049 397 HB3 ARG 51 HB3 ARG 51 -20.848 -1.939 -1.516 398 HG2 ARG 51 HG2 ARG 51 -20.042 0.974 -1.784 399 HG3 ARG 51 HG3 ARG 51 -21.680 0.437 -2.159 400 HD2 ARG 51 HD2 ARG 51 -20.391 -0.134 0.538 401 HD3 ARG 51 HD3 ARG 51 -21.214 1.373 0.211 402 HE ARG 51 HE ARG 51 -22.429 -1.217 0.640 403 HH11 ARG 51 HH11 ARG 51 -23.009 2.079 -0.699 404 HH12 ARG 51 HH12 ARG 51 -24.686 2.033 -0.247 405 HH21 ARG 51 HH21 ARG 51 -24.668 -1.287 0.927 406 HH22 ARG 51 HH22 ARG 51 -25.651 0.130 0.726 407 H THR 52 H THR 52 -17.820 -3.754 -1.946 408 HA THR 52 HA THR 52 -18.377 -4.420 0.906 409 HB THR 52 HB THR 52 -18.610 -6.496 -1.251 410 HG1 THR 52 HG1 THR 52 -19.973 -4.984 -2.009 411 HG21 THR 52 HG21 THR 52 -19.849 -5.955 1.468 412 HG22 THR 52 HG22 THR 52 -18.716 -7.253 1.045 413 HG23 THR 52 HG23 THR 52 -20.371 -7.291 0.405 414 H GLY 53 H GLY 53 -16.061 -4.470 -1.682 415 HA2 GLY 53 HA2 GLY 53 -14.289 -6.333 -0.259 416 HA3 GLY 53 HA3 GLY 53 -14.064 -5.638 -1.858 417 H ILE 54 H ILE 54 -14.666 -2.817 -0.378 418 HA ILE 54 HA ILE 54 -12.033 -1.996 -0.293 419 HB ILE 54 HB ILE 54 -13.863 -0.461 -0.412 420 HG12 ILE 54 HG12 ILE 54 -13.096 1.224 1.418 421 HG13 ILE 54 HG13 ILE 54 -12.019 -0.016 1.979 422 HG21 ILE 54 HG21 ILE 54 -15.276 0.206 1.424 423 HG22 ILE 54 HG22 ILE 54 -15.494 -1.508 1.103 424 HG23 ILE 54 HG23 ILE 54 -14.518 -0.967 2.502 425 HD11 ILE 54 HD11 ILE 54 -10.998 -0.066 -0.354 426 HD12 ILE 54 HD12 ILE 54 -12.052 1.286 -0.772 427 HD13 ILE 54 HD13 ILE 54 -10.837 1.486 0.504 428 H GLN 55 H GLN 55 -13.934 -3.246 2.465 429 HA GLN 55 HA GLN 55 -11.947 -2.879 4.445 430 HB2 GLN 55 HB2 GLN 55 -14.287 -3.169 4.904 431 HB3 GLN 55 HB3 GLN 55 -14.304 -4.804 4.248 432 HG2 GLN 55 HG2 GLN 55 -12.533 -4.025 6.600 433 HG3 GLN 55 HG3 GLN 55 -14.237 -4.416 6.820 434 HE21 GLN 55 HE21 GLN 55 -11.078 -5.739 6.383 435 HE22 GLN 55 HE22 GLN 55 -11.457 -7.389 6.261 436 H ARG 56 H ARG 56 -12.725 -5.993 2.683 437 HA ARG 56 HA ARG 56 -10.476 -7.374 3.737 438 HB2 ARG 56 HB2 ARG 56 -12.158 -7.754 1.247 439 HB3 ARG 56 HB3 ARG 56 -10.770 -8.800 1.550 440 HG2 ARG 56 HG2 ARG 56 -12.779 -8.383 3.778 441 HG3 ARG 56 HG3 ARG 56 -13.185 -9.462 2.457 442 HD2 ARG 56 HD2 ARG 56 -10.554 -9.810 3.909 443 HD3 ARG 56 HD3 ARG 56 -12.082 -10.420 4.563 444 HE ARG 56 HE ARG 56 -11.876 -11.220 1.846 445 HH11 ARG 56 HH11 ARG 56 -10.420 -11.996 5.021 446 HH12 ARG 56 HH12 ARG 56 -10.440 -13.708 4.767 447 HH21 ARG 56 HH21 ARG 56 -11.872 -13.533 1.533 448 HH22 ARG 56 HH22 ARG 56 -11.136 -14.557 2.724 449 H ARG 57 H ARG 57 -10.663 -5.087 1.026 450 HA ARG 57 HA ARG 57 -8.083 -5.763 -0.077 451 HB2 ARG 57 HB2 ARG 57 -9.823 -3.275 -0.180 452 HB3 ARG 57 HB3 ARG 57 -8.203 -3.299 -0.883 453 HG2 ARG 57 HG2 ARG 57 -8.838 -5.192 -2.322 454 HG3 ARG 57 HG3 ARG 57 -10.445 -5.250 -1.619 455 HD2 ARG 57 HD2 ARG 57 -11.073 -3.144 -2.518 456 HD3 ARG 57 HD3 ARG 57 -9.396 -2.692 -2.877 457 HE ARG 57 HE ARG 57 -9.758 -4.971 -4.350 458 HH11 ARG 57 HH11 ARG 57 -11.599 -1.845 -4.228 459 HH12 ARG 57 HH12 ARG 57 -12.108 -2.037 -5.877 460 HH21 ARG 57 HH21 ARG 57 -10.461 -5.026 -6.598 461 HH22 ARG 57 HH22 ARG 57 -11.473 -3.749 -7.173 462 H MET 58 H MET 58 -9.128 -3.551 2.591 463 HA MET 58 HA MET 58 -6.485 -2.579 3.110 464 HB2 MET 58 HB2 MET 58 -9.041 -2.703 4.804 465 HB3 MET 58 HB3 MET 58 -7.503 -2.258 5.521 466 HG2 MET 58 HG2 MET 58 -7.255 -0.435 3.910 467 HG3 MET 58 HG3 MET 58 -8.863 -0.809 3.239 468 HE1 MET 58 HE1 MET 58 -11.112 1.338 5.039 469 HE2 MET 58 HE2 MET 58 -10.171 1.274 3.528 470 HE3 MET 58 HE3 MET 58 -10.991 -0.187 4.126 471 H ASP 59 H ASP 59 -8.387 -5.371 4.406 472 HA ASP 59 HA ASP 59 -6.651 -6.293 6.372 473 HB2 ASP 59 HB2 ASP 59 -8.258 -7.938 4.430 474 HB3 ASP 59 HB3 ASP 59 -7.345 -8.630 5.749 475 H ILE 60 H ILE 60 -6.664 -7.089 2.905 476 HA ILE 60 HA ILE 60 -4.385 -8.805 2.862 477 HB ILE 60 HB ILE 60 -5.786 -7.183 0.698 478 HG12 ILE 60 HG12 ILE 60 -5.864 -10.198 1.079 479 HG13 ILE 60 HG13 ILE 60 -6.998 -9.150 1.916 480 HG21 ILE 60 HG21 ILE 60 -4.636 -8.633 -0.963 481 HG22 ILE 60 HG22 ILE 60 -3.477 -7.660 -0.073 482 HG23 ILE 60 HG23 ILE 60 -3.682 -9.373 0.334 483 HD11 ILE 60 HD11 ILE 60 -8.062 -9.968 -0.074 484 HD12 ILE 60 HD12 ILE 60 -7.763 -8.233 -0.286 485 HD13 ILE 60 HD13 ILE 60 -6.728 -9.427 -1.102 486 H ALA 61 H ALA 61 -4.705 -5.250 2.301 487 HA ALA 61 HA ALA 61 -1.945 -4.893 1.620 488 HB1 ALA 61 HB1 ALA 61 -3.929 -2.910 2.830 489 HB2 ALA 61 HB2 ALA 61 -2.394 -2.515 2.036 490 HB3 ALA 61 HB3 ALA 61 -3.717 -3.233 1.096 491 H LEU 62 H LEU 62 -3.744 -4.763 4.725 492 HA LEU 62 HA LEU 62 -1.515 -3.919 6.327 493 HB2 LEU 62 HB2 LEU 62 -4.148 -5.286 6.946 494 HB3 LEU 62 HB3 LEU 62 -2.971 -4.915 8.204 495 HG LEU 62 HG LEU 62 -3.966 -2.758 6.302 496 HD11 LEU 62 HD11 LEU 62 -5.238 -3.519 8.962 497 HD12 LEU 62 HD12 LEU 62 -5.945 -3.807 7.357 498 HD13 LEU 62 HD13 LEU 62 -5.683 -2.152 7.910 499 HD21 LEU 62 HD21 LEU 62 -3.266 -1.221 8.031 500 HD22 LEU 62 HD22 LEU 62 -1.923 -2.328 7.753 501 HD23 LEU 62 HD23 LEU 62 -2.955 -2.538 9.167 502 H LEU 63 H LEU 63 -2.556 -7.092 5.200 503 HA LEU 63 HA LEU 63 -0.968 -8.597 7.061 504 HB2 LEU 63 HB2 LEU 63 -2.224 -9.169 4.372 505 HB3 LEU 63 HB3 LEU 63 -1.082 -10.322 5.030 506 HG LEU 63 HG LEU 63 -3.454 -9.363 6.672 507 HD11 LEU 63 HD11 LEU 63 -3.347 -11.746 4.773 508 HD12 LEU 63 HD12 LEU 63 -4.354 -10.282 4.602 509 HD13 LEU 63 HD13 LEU 63 -4.648 -11.397 5.937 510 HD21 LEU 63 HD21 LEU 63 -1.643 -10.529 7.914 511 HD22 LEU 63 HD22 LEU 63 -1.752 -11.897 6.796 512 HD23 LEU 63 HD23 LEU 63 -3.118 -11.502 7.859 513 H GLN 64 H GLN 64 -0.033 -6.513 4.481 514 HA GLN 64 HA GLN 64 2.462 -7.939 3.971 515 HB2 GLN 64 HB2 GLN 64 1.795 -5.140 3.038 516 HB3 GLN 64 HB3 GLN 64 2.981 -6.270 2.388 517 HG2 GLN 64 HG2 GLN 64 -0.025 -6.382 2.123 518 HG3 GLN 64 HG3 GLN 64 1.168 -6.131 0.863 519 HE21 GLN 64 HE21 GLN 64 -0.886 -8.406 2.181 520 HE22 GLN 64 HE22 GLN 64 -0.047 -9.861 1.615 521 H HIS 65 H HIS 65 1.519 -6.229 6.663 522 HA HIS 65 HA HIS 65 3.686 -4.408 7.042 523 HB2 HIS 65 HB2 HIS 65 1.489 -4.410 8.215 524 HB3 HIS 65 HB3 HIS 65 1.977 -5.845 9.117 525 HD2 HIS 65 HD2 HIS 65 1.350 -3.843 11.087 526 HE1 HIS 65 HE1 HIS 65 5.103 -1.902 10.739 527 HE2 HIS 65 HE2 HIS 65 2.997 -2.048 12.089 528 H GLY 66 H GLY 66 5.726 -5.057 7.070 529 HA2 GLY 66 HA2 GLY 66 7.582 -6.023 8.160 530 HA3 GLY 66 HA3 GLY 66 6.608 -7.351 8.762 531 H THR 67 H THR 67 6.039 -6.716 5.329 532 HA THR 67 HA THR 67 7.189 -9.267 4.675 533 HB THR 67 HB THR 67 6.829 -8.394 2.287 534 HG1 THR 67 HG1 THR 67 6.947 -6.158 2.948 535 HG21 THR 67 HG21 THR 67 5.112 -9.768 3.263 536 HG22 THR 67 HG22 THR 67 4.323 -8.405 2.471 537 HG23 THR 67 HG23 THR 67 4.520 -8.434 4.243 538 H LEU 68 H LEU 68 9.134 -9.773 3.642 539 HA LEU 68 HA LEU 68 11.220 -7.653 3.697 540 HB2 LEU 68 HB2 LEU 68 11.297 -10.640 3.210 541 HB3 LEU 68 HB3 LEU 68 12.654 -9.589 2.842 542 HG LEU 68 HG LEU 68 11.473 -9.960 5.625 543 HD11 LEU 68 HD11 LEU 68 12.720 -11.916 4.760 544 HD12 LEU 68 HD12 LEU 68 13.595 -11.096 6.069 545 HD13 LEU 68 HD13 LEU 68 14.077 -10.847 4.334 546 HD21 LEU 68 HD21 LEU 68 13.927 -8.402 4.646 547 HD22 LEU 68 HD22 LEU 68 13.555 -8.757 6.355 548 HD23 LEU 68 HD23 LEU 68 12.465 -7.755 5.410 549 H LEU 69 H LEU 69 11.174 -6.429 2.030 550 HA LEU 69 HA LEU 69 10.336 -7.442 -0.644 551 HB2 LEU 69 HB2 LEU 69 8.780 -5.766 0.451 552 HB3 LEU 69 HB3 LEU 69 10.127 -4.626 0.531 553 HG LEU 69 HG LEU 69 10.314 -4.897 -2.044 554 HD11 LEU 69 HD11 LEU 69 8.202 -5.652 -3.143 555 HD12 LEU 69 HD12 LEU 69 7.546 -6.068 -1.561 556 HD13 LEU 69 HD13 LEU 69 8.933 -6.959 -2.226 557 HD21 LEU 69 HD21 LEU 69 9.343 -2.880 -1.012 558 HD22 LEU 69 HD22 LEU 69 7.756 -3.694 -0.950 559 HD23 LEU 69 HD23 LEU 69 8.490 -3.349 -2.510 560 H LYS 70 H LYS 70 12.006 -7.504 -2.027 561 HA LYS 70 HA LYS 70 14.056 -7.188 -2.944 562 HB2 LYS 70 HB2 LYS 70 13.412 -4.353 -2.238 563 HB3 LYS 70 HB3 LYS 70 14.615 -4.822 -3.418 564 HG2 LYS 70 HG2 LYS 70 12.926 -5.784 -4.878 565 HG3 LYS 70 HG3 LYS 70 11.685 -5.634 -3.653 566 HD2 LYS 70 HD2 LYS 70 11.150 -3.734 -4.609 567 HD3 LYS 70 HD3 LYS 70 12.501 -3.026 -3.750 568 HE2 LYS 70 HE2 LYS 70 12.487 -4.135 -6.567 569 HE3 LYS 70 HE3 LYS 70 12.465 -2.402 -6.107 570 HZ1 LYS 70 HZ1 LYS 70 14.734 -2.664 -5.378 571 HZ2 LYS 70 HZ2 LYS 70 14.648 -3.300 -6.837 572 HZ3 LYS 70 HZ3 LYS 70 14.730 -4.311 -5.576 573 H GLU 71 H GLU 71 14.337 -8.108 -0.361 574 HA GLU 71 HA GLU 71 15.848 -8.548 1.235 575 HB2 GLU 71 HB2 GLU 71 17.757 -6.715 -0.261 576 HB3 GLU 71 HB3 GLU 71 18.198 -7.923 0.920 577 HG2 GLU 71 HG2 GLU 71 17.533 -9.743 -0.477 578 HG3 GLU 71 HG3 GLU 71 16.784 -8.672 -1.666 579 H LYS 72 H LYS 72 14.024 -6.146 1.436 580 HA LYS 72 HA LYS 72 15.270 -4.883 3.814 581 HB2 LYS 72 HB2 LYS 72 14.478 -3.624 1.234 582 HB3 LYS 72 HB3 LYS 72 13.829 -2.822 2.645 583 HG2 LYS 72 HG2 LYS 72 16.786 -3.554 2.495 584 HG3 LYS 72 HG3 LYS 72 16.192 -2.111 1.705 585 HD2 LYS 72 HD2 LYS 72 15.832 -2.655 4.669 586 HD3 LYS 72 HD3 LYS 72 17.104 -1.655 3.944 587 HE2 LYS 72 HE2 LYS 72 15.065 -0.422 2.779 588 HE3 LYS 72 HE3 LYS 72 14.129 -1.186 4.071 589 HZ1 LYS 72 HZ1 LYS 72 14.759 0.943 4.804 590 HZ2 LYS 72 HZ2 LYS 72 16.311 0.774 4.350 591 HZ3 LYS 72 HZ3 LYS 72 15.708 -0.088 5.640 592 H LYS 73 H LYS 73 13.878 -4.917 5.567 593 HA LYS 73 HA LYS 73 11.232 -5.980 5.075 594 HB2 LYS 73 HB2 LYS 73 12.816 -6.353 7.162 595 HB3 LYS 73 HB3 LYS 73 12.156 -4.821 7.737 596 HG2 LYS 73 HG2 LYS 73 10.006 -5.717 8.030 597 HG3 LYS 73 HG3 LYS 73 10.189 -6.845 6.694 598 HD2 LYS 73 HD2 LYS 73 10.081 -8.227 8.539 599 HD3 LYS 73 HD3 LYS 73 11.779 -8.225 8.122 600 HE2 LYS 73 HE2 LYS 73 10.438 -6.553 10.312 601 HE3 LYS 73 HE3 LYS 73 11.273 -8.096 10.544 602 HZ1 LYS 73 HZ1 LYS 73 12.828 -6.458 11.092 603 HZ2 LYS 73 HZ2 LYS 73 12.546 -5.548 9.797 604 HZ3 LYS 73 HZ3 LYS 73 13.310 -7.035 9.670 605 H ILE 74 H ILE 74 9.358 -4.832 5.269 606 HA ILE 74 HA ILE 74 9.525 -1.867 5.546 607 HB ILE 74 HB ILE 74 7.965 -1.550 3.733 608 HG12 ILE 74 HG12 ILE 74 8.188 -4.525 3.163 609 HG13 ILE 74 HG13 ILE 74 6.778 -3.736 3.857 610 HG21 ILE 74 HG21 ILE 74 9.539 -1.837 1.936 611 HG22 ILE 74 HG22 ILE 74 10.491 -1.608 3.403 612 HG23 ILE 74 HG23 ILE 74 10.298 -3.232 2.721 613 HD11 ILE 74 HD11 ILE 74 7.936 -3.073 1.126 614 HD12 ILE 74 HD12 ILE 74 6.564 -4.133 1.412 615 HD13 ILE 74 HD13 ILE 74 6.454 -2.406 1.831 616 H ASN 75 H ASN 75 7.441 -0.861 6.024 617 HA ASN 75 HA ASN 75 5.729 -2.574 7.811 618 HB2 ASN 75 HB2 ASN 75 5.423 -0.415 9.089 619 HB3 ASN 75 HB3 ASN 75 7.092 -1.004 9.170 620 HD21 ASN 75 HD21 ASN 75 4.857 1.490 7.827 621 HD22 ASN 75 HD22 ASN 75 6.143 2.479 7.165 622 H VAL 76 H VAL 76 3.569 -1.907 8.140 623 HA VAL 76 HA VAL 76 2.457 -0.070 6.083 624 HB VAL 76 HB VAL 76 1.515 -2.876 6.786 625 HG11 VAL 76 HG11 VAL 76 0.348 -0.797 4.880 626 HG12 VAL 76 HG12 VAL 76 -0.221 -2.471 5.002 627 HG13 VAL 76 HG13 VAL 76 -0.432 -1.374 6.363 628 HG21 VAL 76 HG21 VAL 76 3.392 -2.924 5.199 629 HG22 VAL 76 HG22 VAL 76 1.868 -3.455 4.478 630 HG23 VAL 76 HG23 VAL 76 2.479 -1.832 4.122 631 H GLU 77 H GLU 77 0.501 1.045 6.855 632 HA GLU 77 HA GLU 77 -0.714 0.449 9.343 633 HB2 GLU 77 HB2 GLU 77 -0.178 2.750 10.366 634 HB3 GLU 77 HB3 GLU 77 0.899 1.381 10.603 635 HG2 GLU 77 HG2 GLU 77 2.207 2.460 8.560 636 HG3 GLU 77 HG3 GLU 77 1.391 3.928 9.107 637 H LEU 78 H LEU 78 -2.499 2.101 9.799 638 HA LEU 78 HA LEU 78 -3.744 2.741 7.254 639 HB2 LEU 78 HB2 LEU 78 -4.555 1.835 9.840 640 HB3 LEU 78 HB3 LEU 78 -5.196 3.448 9.723 641 HG LEU 78 HG LEU 78 -6.716 1.686 9.056 642 HD11 LEU 78 HD11 LEU 78 -6.974 3.976 8.064 643 HD12 LEU 78 HD12 LEU 78 -7.652 2.690 7.054 644 HD13 LEU 78 HD13 LEU 78 -6.098 3.411 6.619 645 HD21 LEU 78 HD21 LEU 78 -5.028 1.174 6.577 646 HD22 LEU 78 HD22 LEU 78 -6.492 0.321 7.102 647 HD23 LEU 78 HD23 LEU 78 -4.997 0.182 8.040 648 H THR 79 H THR 79 -4.709 4.714 6.724 649 HA THR 79 HA THR 79 -4.077 7.119 8.258 650 HB THR 79 HB THR 79 -3.334 8.089 5.915 651 HG1 THR 79 HG1 THR 79 -3.552 5.647 5.202 652 HG21 THR 79 HG21 THR 79 -1.389 6.327 7.452 653 HG22 THR 79 HG22 THR 79 -1.879 7.951 7.967 654 HG23 THR 79 HG23 THR 79 -0.995 7.720 6.445 655 H VAL 80 H VAL 80 -5.809 8.386 8.226 656 HA VAL 80 HA VAL 80 -7.765 9.331 7.786 657 HB VAL 80 HB VAL 80 -7.391 8.584 4.862 658 HG11 VAL 80 HG11 VAL 80 -9.128 10.645 6.285 659 HG12 VAL 80 HG12 VAL 80 -8.876 10.571 4.524 660 HG13 VAL 80 HG13 VAL 80 -9.693 9.250 5.359 661 HG21 VAL 80 HG21 VAL 80 -6.530 10.954 4.720 662 HG22 VAL 80 HG22 VAL 80 -6.531 11.005 6.493 663 HG23 VAL 80 HG23 VAL 80 -5.462 9.879 5.630 664 H GLY 81 H GLY 81 -9.040 8.143 9.064 665 HA2 GLY 81 HA2 GLY 81 -11.334 7.136 8.702 666 HA3 GLY 81 HA3 GLY 81 -10.462 5.802 7.916 667 H GLY 82 H GLY 82 -10.547 7.727 10.922 668 HA2 GLY 82 HA2 GLY 82 -8.997 5.866 12.512 669 HA3 GLY 82 HA3 GLY 82 -9.992 7.215 13.104 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -14.420 11.671 5.105 2 HA2 GLY 1 HA2 GLY 1 -15.739 11.151 3.072 3 HA3 GLY 1 HA3 GLY 1 -14.032 10.726 2.922 4 H ASN 2 H ASN 2 -14.786 9.281 1.261 5 HA ASN 2 HA ASN 2 -15.619 6.608 2.284 6 HB2 ASN 2 HB2 ASN 2 -16.802 6.134 0.224 7 HB3 ASN 2 HB3 ASN 2 -17.559 7.467 1.077 8 HD21 ASN 2 HD21 ASN 2 -14.996 7.002 -1.488 9 HD22 ASN 2 HD22 ASN 2 -15.571 8.286 -2.515 10 H ARG 3 H ARG 3 -13.029 8.006 1.816 11 HA ARG 3 HA ARG 3 -11.827 6.004 0.022 12 HB2 ARG 3 HB2 ARG 3 -12.297 8.605 -0.759 13 HB3 ARG 3 HB3 ARG 3 -10.713 8.804 -0.036 14 HG2 ARG 3 HG2 ARG 3 -11.277 6.579 -2.009 15 HG3 ARG 3 HG3 ARG 3 -11.128 8.219 -2.583 16 HD2 ARG 3 HD2 ARG 3 -8.902 7.352 -0.791 17 HD3 ARG 3 HD3 ARG 3 -9.041 6.469 -2.304 18 HE ARG 3 HE ARG 3 -8.459 9.355 -1.991 19 HH11 ARG 3 HH11 ARG 3 -9.510 6.830 -4.320 20 HH12 ARG 3 HH12 ARG 3 -8.491 7.361 -5.586 21 HH21 ARG 3 HH21 ARG 3 -7.485 10.322 -3.766 22 HH22 ARG 3 HH22 ARG 3 -7.428 9.556 -5.301 23 H PHE 4 H PHE 4 -9.757 5.369 0.755 24 HA PHE 4 HA PHE 4 -8.900 6.378 3.429 25 HB2 PHE 4 HB2 PHE 4 -9.015 3.479 2.492 26 HB3 PHE 4 HB3 PHE 4 -8.314 4.031 3.997 27 HD1 PHE 4 HD2 PHE 4 -9.726 4.653 5.927 28 HD2 PHE 4 HD1 PHE 4 -11.441 3.211 2.246 29 HE1 PHE 4 HE2 PHE 4 -11.821 4.103 7.117 30 HE2 PHE 4 HE1 PHE 4 -13.512 2.562 3.497 31 HZ PHE 4 HZ PHE 4 -13.696 3.026 5.912 32 H ILE 5 H ILE 5 -6.536 5.755 3.796 33 HA ILE 5 HA ILE 5 -5.020 5.368 1.333 34 HB ILE 5 HB ILE 5 -4.346 7.569 3.325 35 HG12 ILE 5 HG12 ILE 5 -4.905 8.325 0.489 36 HG13 ILE 5 HG13 ILE 5 -6.325 7.840 1.345 37 HG21 ILE 5 HG21 ILE 5 -2.347 6.610 2.226 38 HG22 ILE 5 HG22 ILE 5 -3.092 6.822 0.633 39 HG23 ILE 5 HG23 ILE 5 -2.656 8.235 1.623 40 HD11 ILE 5 HD11 ILE 5 -4.391 9.955 2.313 41 HD12 ILE 5 HD12 ILE 5 -5.978 10.226 1.556 42 HD13 ILE 5 HD13 ILE 5 -5.888 9.435 3.142 43 H VAL 6 H VAL 6 -3.176 4.261 1.712 44 HA VAL 6 HA VAL 6 -2.671 3.187 4.440 45 HB VAL 6 HB VAL 6 -2.569 1.939 1.675 46 HG11 VAL 6 HG11 VAL 6 -1.270 0.981 4.210 47 HG12 VAL 6 HG12 VAL 6 -1.834 -0.175 2.984 48 HG13 VAL 6 HG13 VAL 6 -0.617 1.055 2.575 49 HG21 VAL 6 HG21 VAL 6 -4.786 1.939 2.688 50 HG22 VAL 6 HG22 VAL 6 -4.141 0.298 2.754 51 HG23 VAL 6 HG23 VAL 6 -4.128 1.322 4.209 52 H PHE 7 H PHE 7 -0.715 3.528 5.171 53 HA PHE 7 HA PHE 7 1.303 4.916 3.476 54 HB2 PHE 7 HB2 PHE 7 0.488 6.051 5.595 55 HB3 PHE 7 HB3 PHE 7 0.947 4.660 6.493 56 HD1 PHE 7 HD2 PHE 7 3.429 4.106 6.818 57 HD2 PHE 7 HD1 PHE 7 2.121 7.709 4.819 58 HE1 PHE 7 HE2 PHE 7 5.580 5.174 7.323 59 HE2 PHE 7 HE1 PHE 7 4.297 8.761 5.327 60 HZ PHE 7 HZ PHE 7 6.004 7.494 6.603 61 H VAL 8 H VAL 8 3.276 3.870 3.224 62 HA VAL 8 HA VAL 8 3.777 1.397 4.732 63 HB VAL 8 HB VAL 8 4.161 1.585 1.718 64 HG11 VAL 8 HG11 VAL 8 4.168 -0.846 3.553 65 HG12 VAL 8 HG12 VAL 8 4.550 -0.832 1.827 66 HG13 VAL 8 HG13 VAL 8 5.616 -0.036 2.996 67 HG21 VAL 8 HG21 VAL 8 1.849 0.274 3.198 68 HG22 VAL 8 HG22 VAL 8 1.763 1.597 2.020 69 HG23 VAL 8 HG23 VAL 8 2.246 -0.013 1.489 70 H GLY 9 H GLY 9 5.990 1.539 5.475 71 HA2 GLY 9 HA2 GLY 9 7.730 3.397 3.953 72 HA3 GLY 9 HA3 GLY 9 7.574 3.690 5.650 73 H SER 10 H SER 10 9.973 3.374 5.044 74 HA SER 10 HA SER 10 11.908 2.358 5.424 75 HB2 SER 10 HB2 SER 10 10.168 0.720 6.968 76 HB3 SER 10 HB3 SER 10 11.140 -0.391 6.027 77 HG SER 10 HG SER 10 12.244 0.060 7.868 78 H LEU 11 H LEU 11 10.215 2.176 2.910 79 HA LEU 11 HA LEU 11 10.669 -0.165 1.487 80 HB2 LEU 11 HB2 LEU 11 10.242 2.698 0.617 81 HB3 LEU 11 HB3 LEU 11 10.631 1.486 -0.570 82 HG LEU 11 HG LEU 11 8.709 0.186 -0.137 83 HD11 LEU 11 HD11 LEU 11 8.001 2.147 2.130 84 HD12 LEU 11 HD12 LEU 11 8.368 0.433 2.334 85 HD13 LEU 11 HD13 LEU 11 6.913 0.914 1.475 86 HD21 LEU 11 HD21 LEU 11 8.397 1.968 -1.633 87 HD22 LEU 11 HD22 LEU 11 8.030 3.119 -0.331 88 HD23 LEU 11 HD23 LEU 11 6.918 1.776 -0.706 89 HA PRO 12 HA PRO 12 14.932 -0.352 0.550 90 HB2 PRO 12 HB2 PRO 12 14.882 -1.562 -1.975 91 HB3 PRO 12 HB3 PRO 12 14.617 -2.416 -0.438 92 HG2 PRO 12 HG2 PRO 12 12.558 -1.349 -2.353 93 HG3 PRO 12 HG3 PRO 12 12.532 -2.906 -1.494 94 HD2 PRO 12 HD2 PRO 12 11.085 -0.849 -0.628 95 HD3 PRO 12 HD3 PRO 12 11.899 -1.948 0.522 96 H ARG 13 H ARG 13 16.631 0.525 -0.676 97 HA ARG 13 HA ARG 13 16.025 3.104 -1.794 98 HB2 ARG 13 HB2 ARG 13 18.562 1.410 -1.769 99 HB3 ARG 13 HB3 ARG 13 18.479 3.017 -2.476 100 HG2 ARG 13 HG2 ARG 13 17.940 2.465 0.460 101 HG3 ARG 13 HG3 ARG 13 19.444 3.082 -0.246 102 HD2 ARG 13 HD2 ARG 13 17.905 4.914 -1.326 103 HD3 ARG 13 HD3 ARG 13 16.745 4.436 -0.078 104 HE ARG 13 HE ARG 13 19.169 4.904 1.254 105 HH11 ARG 13 HH11 ARG 13 16.759 6.723 -0.629 106 HH12 ARG 13 HH12 ARG 13 17.355 8.278 -0.189 107 HH21 ARG 13 HH21 ARG 13 19.868 6.948 1.984 108 HH22 ARG 13 HH22 ARG 13 19.068 8.421 1.472 109 H ASP 14 H ASP 14 16.599 -0.110 -3.225 110 HA ASP 14 HA ASP 14 16.384 0.947 -5.948 111 HB2 ASP 14 HB2 ASP 14 17.087 -1.639 -4.807 112 HB3 ASP 14 HB3 ASP 14 16.683 -1.556 -6.506 113 H ILE 15 H ILE 15 13.966 0.953 -4.013 114 HA ILE 15 HA ILE 15 12.146 -1.008 -4.801 115 HB ILE 15 HB ILE 15 11.753 0.570 -2.953 116 HG12 ILE 15 HG12 ILE 15 9.341 1.007 -3.365 117 HG13 ILE 15 HG13 ILE 15 9.563 0.506 -5.079 118 HG21 ILE 15 HG21 ILE 15 12.588 2.620 -4.205 119 HG22 ILE 15 HG22 ILE 15 10.999 2.673 -4.986 120 HG23 ILE 15 HG23 ILE 15 11.143 2.812 -3.219 121 HD11 ILE 15 HD11 ILE 15 10.090 -1.221 -2.655 122 HD12 ILE 15 HD12 ILE 15 8.612 -1.225 -3.623 123 HD13 ILE 15 HD13 ILE 15 10.128 -1.739 -4.367 124 H THR 16 H THR 16 10.714 -1.294 -6.606 125 HA THR 16 HA THR 16 10.944 0.685 -8.781 126 HB THR 16 HB THR 16 10.645 -1.396 -10.246 127 HG1 THR 16 HG1 THR 16 11.333 -3.342 -9.324 128 HG21 THR 16 HG21 THR 16 13.077 -1.875 -10.300 129 HG22 THR 16 HG22 THR 16 13.268 -0.945 -8.793 130 HG23 THR 16 HG23 THR 16 12.714 -0.143 -10.270 131 H ALA 17 H ALA 17 9.074 0.913 -10.036 132 HA ALA 17 HA ALA 17 6.633 0.718 -8.548 133 HB1 ALA 17 HB1 ALA 17 7.010 2.480 -10.175 134 HB2 ALA 17 HB2 ALA 17 7.167 1.298 -11.486 135 HB3 ALA 17 HB3 ALA 17 5.605 1.507 -10.658 136 H VAL 18 H VAL 18 8.261 -1.531 -10.777 137 HA VAL 18 HA VAL 18 5.918 -3.107 -11.351 138 HB VAL 18 HB VAL 18 7.799 -3.352 -12.781 139 HG11 VAL 18 HG11 VAL 18 9.700 -2.934 -11.318 140 HG12 VAL 18 HG12 VAL 18 9.414 -4.465 -10.447 141 HG13 VAL 18 HG13 VAL 18 9.900 -4.463 -12.153 142 HG21 VAL 18 HG21 VAL 18 7.494 -5.948 -11.201 143 HG22 VAL 18 HG22 VAL 18 6.331 -5.347 -12.394 144 HG23 VAL 18 HG23 VAL 18 7.974 -5.778 -12.898 145 H GLU 19 H GLU 19 8.339 -3.183 -8.638 146 HA GLU 19 HA GLU 19 7.166 -5.569 -7.532 147 HB2 GLU 19 HB2 GLU 19 9.063 -3.409 -6.562 148 HB3 GLU 19 HB3 GLU 19 8.374 -4.536 -5.407 149 HG2 GLU 19 HG2 GLU 19 9.817 -5.357 -7.950 150 HG3 GLU 19 HG3 GLU 19 10.596 -5.255 -6.384 151 H LEU 20 H LEU 20 6.704 -2.056 -6.934 152 HA LEU 20 HA LEU 20 4.782 -2.421 -4.869 153 HB2 LEU 20 HB2 LEU 20 5.138 -0.178 -6.908 154 HB3 LEU 20 HB3 LEU 20 4.023 -0.084 -5.556 155 HG LEU 20 HG LEU 20 7.046 -0.344 -5.389 156 HD11 LEU 20 HD11 LEU 20 6.169 1.867 -5.982 157 HD12 LEU 20 HD12 LEU 20 6.896 1.855 -4.356 158 HD13 LEU 20 HD13 LEU 20 5.130 1.847 -4.534 159 HD21 LEU 20 HD21 LEU 20 6.251 -1.580 -3.482 160 HD22 LEU 20 HD22 LEU 20 4.964 -0.404 -3.168 161 HD23 LEU 20 HD23 LEU 20 6.659 0.036 -2.886 162 H GLN 21 H GLN 21 4.238 -2.121 -8.409 163 HA GLN 21 HA GLN 21 1.390 -2.309 -8.309 164 HB2 GLN 21 HB2 GLN 21 3.529 -2.921 -10.381 165 HB3 GLN 21 HB3 GLN 21 1.868 -3.304 -10.718 166 HG2 GLN 21 HG2 GLN 21 2.455 -0.500 -9.751 167 HG3 GLN 21 HG3 GLN 21 3.004 -0.929 -11.358 168 HE21 GLN 21 HE21 GLN 21 0.973 1.115 -10.835 169 HE22 GLN 21 HE22 GLN 21 -0.534 0.506 -11.451 170 H ASN 22 H ASN 22 3.958 -4.805 -8.364 171 HA ASN 22 HA ASN 22 2.140 -7.019 -8.715 172 HB2 ASN 22 HB2 ASN 22 4.495 -7.160 -9.426 173 HB3 ASN 22 HB3 ASN 22 5.053 -6.800 -7.796 174 HD21 ASN 22 HD21 ASN 22 5.649 -8.611 -6.557 175 HD22 ASN 22 HD22 ASN 22 5.034 -10.204 -6.890 176 H HIS 23 H HIS 23 4.045 -5.922 -5.843 177 HA HIS 23 HA HIS 23 3.080 -7.903 -4.110 178 HB2 HIS 23 HB2 HIS 23 4.778 -5.541 -3.948 179 HB3 HIS 23 HB3 HIS 23 3.713 -5.591 -2.576 180 HD2 HIS 23 HD2 HIS 23 4.062 -7.579 -0.818 181 HE1 HIS 23 HE1 HIS 23 7.531 -9.284 -2.612 182 HE2 HIS 23 HE2 HIS 23 6.045 -9.253 -0.526 183 H PHE 24 H PHE 24 1.584 -4.787 -4.916 184 HA PHE 24 HA PHE 24 -0.608 -5.307 -2.950 185 HB2 PHE 24 HB2 PHE 24 0.200 -2.847 -4.483 186 HB3 PHE 24 HB3 PHE 24 -1.242 -2.986 -3.500 187 HD1 PHE 24 HD1 PHE 24 -0.964 -3.734 -0.994 188 HD2 PHE 24 HD2 PHE 24 2.318 -2.424 -3.424 189 HE1 PHE 24 HE1 PHE 24 0.344 -3.234 1.065 190 HE2 PHE 24 HE2 PHE 24 3.599 -1.848 -1.422 191 HZ PHE 24 HZ PHE 24 2.607 -2.234 0.860 192 H LYS 25 H LYS 25 -0.044 -6.360 -6.029 193 HA LYS 25 HA LYS 25 -2.453 -5.742 -7.331 194 HB2 LYS 25 HB2 LYS 25 -1.695 -7.227 -8.863 195 HB3 LYS 25 HB3 LYS 25 -0.225 -6.947 -8.047 196 HG2 LYS 25 HG2 LYS 25 -0.671 -9.062 -6.667 197 HG3 LYS 25 HG3 LYS 25 -2.011 -9.401 -7.785 198 HD2 LYS 25 HD2 LYS 25 -0.466 -9.422 -9.686 199 HD3 LYS 25 HD3 LYS 25 0.871 -8.901 -8.645 200 HE2 LYS 25 HE2 LYS 25 0.446 -11.007 -7.249 201 HE3 LYS 25 HE3 LYS 25 -0.610 -11.546 -8.565 202 HZ1 LYS 25 HZ1 LYS 25 2.286 -11.033 -8.631 203 HZ2 LYS 25 HZ2 LYS 25 1.407 -11.155 -10.019 204 HZ3 LYS 25 HZ3 LYS 25 1.499 -12.431 -8.988 205 H ASN 26 H ASN 26 -1.750 -7.989 -4.716 206 HA ASN 26 HA ASN 26 -4.183 -9.532 -4.916 207 HB2 ASN 26 HB2 ASN 26 -2.477 -9.166 -2.425 208 HB3 ASN 26 HB3 ASN 26 -3.520 -10.518 -2.824 209 HD21 ASN 26 HD21 ASN 26 -2.775 -11.869 -4.938 210 HD22 ASN 26 HD22 ASN 26 -1.042 -11.939 -5.136 211 H SER 27 H SER 27 -3.489 -6.317 -3.629 212 HA SER 27 HA SER 27 -6.044 -6.258 -2.157 213 HB2 SER 27 HB2 SER 27 -4.877 -4.258 -1.022 214 HB3 SER 27 HB3 SER 27 -4.407 -5.911 -0.583 215 HG SER 27 HG SER 27 -3.023 -3.967 -1.975 216 H SER 28 H SER 28 -4.703 -5.251 -5.053 217 HA SER 28 HA SER 28 -5.188 -3.654 -6.595 218 HB2 SER 28 HB2 SER 28 -7.152 -5.242 -6.504 219 HB3 SER 28 HB3 SER 28 -8.023 -3.999 -5.610 220 HG SER 28 HG SER 28 -7.880 -2.654 -7.434 221 HA PRO 29 HA PRO 29 -5.594 0.079 -3.812 222 HB2 PRO 29 HB2 PRO 29 -3.366 1.428 -4.651 223 HB3 PRO 29 HB3 PRO 29 -3.294 0.102 -3.455 224 HG2 PRO 29 HG2 PRO 29 -2.818 -0.077 -6.447 225 HG3 PRO 29 HG3 PRO 29 -1.746 -0.691 -5.132 226 HD2 PRO 29 HD2 PRO 29 -3.494 -2.298 -6.430 227 HD3 PRO 29 HD3 PRO 29 -3.202 -2.493 -4.659 228 H ASP 30 H ASP 30 -5.925 2.456 -4.614 229 HA ASP 30 HA ASP 30 -7.137 2.433 -7.290 230 HB2 ASP 30 HB2 ASP 30 -8.458 3.340 -5.351 231 HB3 ASP 30 HB3 ASP 30 -7.220 4.588 -5.136 232 H GLN 31 H GLN 31 -4.499 3.818 -5.395 233 HA GLN 31 HA GLN 31 -3.266 4.829 -7.838 234 HB2 GLN 31 HB2 GLN 31 -4.475 6.765 -6.843 235 HB3 GLN 31 HB3 GLN 31 -3.662 6.479 -5.293 236 HG2 GLN 31 HG2 GLN 31 -1.515 7.110 -6.178 237 HG3 GLN 31 HG3 GLN 31 -2.120 7.087 -7.836 238 HE21 GLN 31 HE21 GLN 31 -1.747 9.045 -4.961 239 HE22 GLN 31 HE22 GLN 31 -2.569 10.446 -5.559 240 H ILE 32 H ILE 32 -0.946 4.993 -7.608 241 HA ILE 32 HA ILE 32 0.260 3.750 -5.184 242 HB ILE 32 HB ILE 32 0.751 3.034 -8.113 243 HG12 ILE 32 HG12 ILE 32 -0.190 1.294 -5.787 244 HG13 ILE 32 HG13 ILE 32 -1.259 1.968 -7.008 245 HG21 ILE 32 HG21 ILE 32 2.487 1.462 -7.253 246 HG22 ILE 32 HG22 ILE 32 2.906 3.124 -6.906 247 HG23 ILE 32 HG23 ILE 32 2.237 2.107 -5.617 248 HD11 ILE 32 HD11 ILE 32 0.935 -0.038 -7.607 249 HD12 ILE 32 HD12 ILE 32 -0.807 -0.321 -7.570 250 HD13 ILE 32 HD13 ILE 32 -0.132 0.769 -8.783 251 H ARG 33 H ARG 33 1.326 5.546 -4.365 252 HA ARG 33 HA ARG 33 3.035 7.063 -6.315 253 HB2 ARG 33 HB2 ARG 33 0.888 8.134 -4.956 254 HB3 ARG 33 HB3 ARG 33 2.238 8.565 -3.929 255 HG2 ARG 33 HG2 ARG 33 3.433 9.584 -5.822 256 HG3 ARG 33 HG3 ARG 33 2.145 9.051 -6.932 257 HD2 ARG 33 HD2 ARG 33 0.534 10.442 -5.559 258 HD3 ARG 33 HD3 ARG 33 1.946 11.168 -4.801 259 HE ARG 33 HE ARG 33 0.792 11.693 -7.352 260 HH11 ARG 33 HH11 ARG 33 4.028 11.845 -5.805 261 HH12 ARG 33 HH12 ARG 33 4.451 13.296 -6.609 262 HH21 ARG 33 HH21 ARG 33 1.500 13.512 -8.556 263 HH22 ARG 33 HH22 ARG 33 2.979 14.288 -8.174 264 H LEU 34 H LEU 34 4.949 6.214 -6.026 265 HA LEU 34 HA LEU 34 5.974 5.409 -3.396 266 HB2 LEU 34 HB2 LEU 34 6.372 4.109 -5.463 267 HB3 LEU 34 HB3 LEU 34 7.194 5.451 -6.205 268 HG LEU 34 HG LEU 34 8.549 3.411 -5.150 269 HD11 LEU 34 HD11 LEU 34 9.347 6.338 -4.703 270 HD12 LEU 34 HD12 LEU 34 9.596 5.399 -6.173 271 HD13 LEU 34 HD13 LEU 34 10.454 4.956 -4.686 272 HD21 LEU 34 HD21 LEU 34 7.447 3.675 -2.901 273 HD22 LEU 34 HD22 LEU 34 8.420 5.155 -2.678 274 HD23 LEU 34 HD23 LEU 34 9.209 3.618 -2.904 275 H ARG 35 H ARG 35 7.190 6.794 -2.107 276 HA ARG 35 HA ARG 35 8.172 9.371 -3.256 277 HB2 ARG 35 HB2 ARG 35 6.721 8.774 -0.651 278 HB3 ARG 35 HB3 ARG 35 7.877 10.104 -0.771 279 HG2 ARG 35 HG2 ARG 35 5.695 10.981 -1.097 280 HG3 ARG 35 HG3 ARG 35 6.604 11.117 -2.592 281 HD2 ARG 35 HD2 ARG 35 5.284 9.575 -3.734 282 HD3 ARG 35 HD3 ARG 35 4.847 8.720 -2.258 283 HE ARG 35 HE ARG 35 2.893 9.864 -2.348 284 HH11 ARG 35 HH11 ARG 35 5.239 12.161 -3.684 285 HH12 ARG 35 HH12 ARG 35 4.260 13.545 -3.351 286 HH21 ARG 35 HH21 ARG 35 1.500 11.588 -2.201 287 HH22 ARG 35 HH22 ARG 35 2.085 13.202 -2.385 288 H ALA 36 H ALA 36 10.094 8.310 -3.772 289 HA ALA 36 HA ALA 36 11.617 6.612 -2.146 290 HB1 ALA 36 HB1 ALA 36 13.517 7.375 -3.587 291 HB2 ALA 36 HB2 ALA 36 12.065 6.947 -4.510 292 HB3 ALA 36 HB3 ALA 36 12.484 8.658 -4.236 293 H ASP 37 H ASP 37 11.308 10.117 -1.997 294 HA ASP 37 HA ASP 37 13.558 10.966 -0.702 295 HB2 ASP 37 HB2 ASP 37 10.689 11.876 -0.236 296 HB3 ASP 37 HB3 ASP 37 12.145 12.792 0.193 297 H LYS 38 H LYS 38 10.922 9.150 0.822 298 HA LYS 38 HA LYS 38 12.469 9.094 3.359 299 HB2 LYS 38 HB2 LYS 38 9.702 10.095 2.887 300 HB3 LYS 38 HB3 LYS 38 9.851 8.980 4.229 301 HG2 LYS 38 HG2 LYS 38 11.821 11.228 3.955 302 HG3 LYS 38 HG3 LYS 38 10.216 11.517 4.644 303 HD2 LYS 38 HD2 LYS 38 10.569 9.817 6.358 304 HD3 LYS 38 HD3 LYS 38 12.160 9.419 5.700 305 HE2 LYS 38 HE2 LYS 38 13.027 11.606 6.283 306 HE3 LYS 38 HE3 LYS 38 11.404 12.196 6.685 307 HZ1 LYS 38 HZ1 LYS 38 12.812 10.049 8.167 308 HZ2 LYS 38 HZ2 LYS 38 11.316 10.634 8.492 309 HZ3 LYS 38 HZ3 LYS 38 12.630 11.602 8.663 310 H GLY 39 H GLY 39 11.801 7.288 0.860 311 HA2 GLY 39 HA2 GLY 39 11.523 5.045 0.487 312 HA3 GLY 39 HA3 GLY 39 12.086 4.810 2.157 313 H ILE 40 H ILE 40 9.079 6.317 0.714 314 HA ILE 40 HA ILE 40 7.450 4.351 2.123 315 HB ILE 40 HB ILE 40 5.944 6.425 2.635 316 HG12 ILE 40 HG12 ILE 40 8.508 7.905 2.813 317 HG13 ILE 40 HG13 ILE 40 7.655 7.902 1.262 318 HG21 ILE 40 HG21 ILE 40 6.689 5.379 4.546 319 HG22 ILE 40 HG22 ILE 40 8.417 5.740 4.240 320 HG23 ILE 40 HG23 ILE 40 7.300 7.001 4.766 321 HD11 ILE 40 HD11 ILE 40 6.466 8.902 3.872 322 HD12 ILE 40 HD12 ILE 40 7.025 9.876 2.493 323 HD13 ILE 40 HD13 ILE 40 5.635 8.793 2.316 324 H ALA 41 H ALA 41 5.123 4.621 1.431 325 HA ALA 41 HA ALA 41 4.746 5.789 -1.230 326 HB1 ALA 41 HB1 ALA 41 4.184 2.853 -0.663 327 HB2 ALA 41 HB2 ALA 41 3.817 3.714 -2.166 328 HB3 ALA 41 HB3 ALA 41 5.505 3.447 -1.700 329 H PHE 42 H PHE 42 2.480 6.044 -1.723 330 HA PHE 42 HA PHE 42 0.651 5.711 0.621 331 HB2 PHE 42 HB2 PHE 42 0.767 7.934 -1.431 332 HB3 PHE 42 HB3 PHE 42 -0.441 7.785 -0.172 333 HD1 PHE 42 HD2 PHE 42 3.098 8.511 -0.919 334 HD2 PHE 42 HD1 PHE 42 0.062 8.501 2.129 335 HE1 PHE 42 HE2 PHE 42 4.528 9.985 0.525 336 HE2 PHE 42 HE1 PHE 42 1.517 9.895 3.569 337 HZ PHE 42 HZ PHE 42 3.729 10.671 2.757 338 H LEU 43 H LEU 43 -0.954 4.401 0.123 339 HA LEU 43 HA LEU 43 -1.694 3.988 -2.744 340 HB2 LEU 43 HB2 LEU 43 -1.845 2.034 -0.431 341 HB3 LEU 43 HB3 LEU 43 -2.405 1.759 -2.073 342 HG LEU 43 HG LEU 43 0.225 2.508 -2.530 343 HD11 LEU 43 HD11 LEU 43 0.718 2.560 -0.081 344 HD12 LEU 43 HD12 LEU 43 1.642 1.320 -0.929 345 HD13 LEU 43 HD13 LEU 43 0.231 0.855 0.038 346 HD21 LEU 43 HD21 LEU 43 0.648 0.001 -2.689 347 HD22 LEU 43 HD22 LEU 43 -0.704 0.654 -3.621 348 HD23 LEU 43 HD23 LEU 43 -1.004 -0.235 -2.125 349 H GLU 44 H GLU 44 -3.621 4.911 -3.131 350 HA GLU 44 HA GLU 44 -5.438 5.672 -0.912 351 HB2 GLU 44 HB2 GLU 44 -5.598 6.135 -3.928 352 HB3 GLU 44 HB3 GLU 44 -6.627 6.850 -2.688 353 HG2 GLU 44 HG2 GLU 44 -4.647 7.996 -1.704 354 HG3 GLU 44 HG3 GLU 44 -3.625 7.314 -2.962 355 H PHE 45 H PHE 45 -7.696 4.804 -0.923 356 HA PHE 45 HA PHE 45 -8.282 2.563 -2.779 357 HB2 PHE 45 HB2 PHE 45 -8.549 2.441 0.266 358 HB3 PHE 45 HB3 PHE 45 -9.290 1.338 -0.872 359 HD1 PHE 45 HD2 PHE 45 -5.865 2.581 0.079 360 HD2 PHE 45 HD1 PHE 45 -8.303 -0.706 -1.326 361 HE1 PHE 45 HE2 PHE 45 -3.972 1.022 0.347 362 HE2 PHE 45 HE1 PHE 45 -6.371 -2.244 -1.015 363 HZ PHE 45 HZ PHE 45 -4.289 -1.398 -0.015 364 H ASP 46 H ASP 46 -10.390 2.596 -3.437 365 HA ASP 46 HA ASP 46 -12.167 4.728 -2.475 366 HB2 ASP 46 HB2 ASP 46 -11.916 3.002 -4.959 367 HB3 ASP 46 HB3 ASP 46 -13.431 3.797 -4.531 368 H ALA 47 H ALA 47 -13.479 4.202 -0.807 369 HA ALA 47 HA ALA 47 -14.430 1.495 -0.378 370 HB1 ALA 47 HB1 ALA 47 -15.505 3.984 0.982 371 HB2 ALA 47 HB2 ALA 47 -15.409 2.333 1.603 372 HB3 ALA 47 HB3 ALA 47 -13.922 3.306 1.415 373 H ASP 48 H ASP 48 -15.589 4.273 -2.119 374 HA ASP 48 HA ASP 48 -18.384 3.473 -1.986 375 HB2 ASP 48 HB2 ASP 48 -17.454 5.859 -2.281 376 HB3 ASP 48 HB3 ASP 48 -17.276 5.411 -3.986 377 H LYS 49 H LYS 49 -15.691 3.133 -4.328 378 HA LYS 49 HA LYS 49 -17.232 2.163 -6.467 379 HB2 LYS 49 HB2 LYS 49 -15.112 3.227 -6.786 380 HB3 LYS 49 HB3 LYS 49 -14.305 2.132 -5.646 381 HG2 LYS 49 HG2 LYS 49 -14.433 0.312 -7.051 382 HG3 LYS 49 HG3 LYS 49 -15.558 1.095 -8.194 383 HD2 LYS 49 HD2 LYS 49 -13.776 2.795 -8.684 384 HD3 LYS 49 HD3 LYS 49 -12.641 1.861 -7.684 385 HE2 LYS 49 HE2 LYS 49 -12.893 -0.087 -9.165 386 HE3 LYS 49 HE3 LYS 49 -14.134 0.760 -10.111 387 HZ1 LYS 49 HZ1 LYS 49 -11.303 1.576 -9.882 388 HZ2 LYS 49 HZ2 LYS 49 -12.451 2.404 -10.693 389 HZ3 LYS 49 HZ3 LYS 49 -12.017 0.897 -11.205 390 H ASP 50 H ASP 50 -15.076 0.462 -4.108 391 HA ASP 50 HA ASP 50 -16.483 -2.052 -4.876 392 HB2 ASP 50 HB2 ASP 50 -13.784 -1.482 -4.945 393 HB3 ASP 50 HB3 ASP 50 -13.928 -2.422 -3.472 394 H ARG 51 H ARG 51 -18.220 -1.259 -3.534 395 HA ARG 51 HA ARG 51 -18.201 -0.798 -0.794 396 HB2 ARG 51 HB2 ARG 51 -20.246 -2.222 -2.553 397 HB3 ARG 51 HB3 ARG 51 -20.569 -1.877 -0.864 398 HG2 ARG 51 HG2 ARG 51 -19.763 0.362 -2.740 399 HG3 ARG 51 HG3 ARG 51 -21.431 -0.231 -2.684 400 HD2 ARG 51 HD2 ARG 51 -21.653 0.298 -0.348 401 HD3 ARG 51 HD3 ARG 51 -19.943 0.721 -0.222 402 HE ARG 51 HE ARG 51 -20.588 2.475 -2.066 403 HH11 ARG 51 HH11 ARG 51 -23.079 1.582 0.405 404 HH12 ARG 51 HH12 ARG 51 -23.509 3.237 0.607 405 HH21 ARG 51 HH21 ARG 51 -21.370 4.653 -1.716 406 HH22 ARG 51 HH22 ARG 51 -22.739 4.839 -0.666 407 H THR 52 H THR 52 -18.117 -4.045 -2.373 408 HA THR 52 HA THR 52 -17.971 -5.251 0.336 409 HB THR 52 HB THR 52 -18.490 -7.361 -0.977 410 HG1 THR 52 HG1 THR 52 -17.999 -6.282 -3.115 411 HG21 THR 52 HG21 THR 52 -20.194 -6.093 0.323 412 HG22 THR 52 HG22 THR 52 -20.870 -6.825 -1.150 413 HG23 THR 52 HG23 THR 52 -20.520 -5.093 -1.106 414 H GLY 53 H GLY 53 -15.692 -4.034 -1.656 415 HA2 GLY 53 HA2 GLY 53 -13.819 -6.326 -1.156 416 HA3 GLY 53 HA3 GLY 53 -13.751 -5.266 -2.551 417 H ILE 54 H ILE 54 -14.354 -2.815 -0.714 418 HA ILE 54 HA ILE 54 -11.794 -1.924 -0.417 419 HB ILE 54 HB ILE 54 -13.706 -0.495 -0.397 420 HG12 ILE 54 HG12 ILE 54 -13.206 1.020 1.543 421 HG13 ILE 54 HG13 ILE 54 -12.229 -0.232 2.276 422 HG21 ILE 54 HG21 ILE 54 -15.302 -0.219 1.396 423 HG22 ILE 54 HG22 ILE 54 -15.342 -1.903 0.888 424 HG23 ILE 54 HG23 ILE 54 -14.508 -1.446 2.395 425 HD11 ILE 54 HD11 ILE 54 -10.869 1.440 1.058 426 HD12 ILE 54 HD12 ILE 54 -10.673 -0.167 0.354 427 HD13 ILE 54 HD13 ILE 54 -11.716 1.034 -0.454 428 H GLN 55 H GLN 55 -13.720 -3.482 2.150 429 HA GLN 55 HA GLN 55 -11.738 -3.214 4.177 430 HB2 GLN 55 HB2 GLN 55 -13.914 -3.466 4.894 431 HB3 GLN 55 HB3 GLN 55 -14.280 -4.741 3.776 432 HG2 GLN 55 HG2 GLN 55 -14.305 -5.598 6.005 433 HG3 GLN 55 HG3 GLN 55 -13.031 -6.361 5.067 434 HE21 GLN 55 HE21 GLN 55 -10.759 -5.832 5.608 435 HE22 GLN 55 HE22 GLN 55 -10.372 -5.111 7.134 436 H ARG 56 H ARG 56 -12.650 -6.049 2.143 437 HA ARG 56 HA ARG 56 -10.646 -7.858 2.960 438 HB2 ARG 56 HB2 ARG 56 -11.878 -7.336 0.218 439 HB3 ARG 56 HB3 ARG 56 -10.746 -8.644 0.485 440 HG2 ARG 56 HG2 ARG 56 -13.258 -8.427 2.187 441 HG3 ARG 56 HG3 ARG 56 -13.292 -9.098 0.554 442 HD2 ARG 56 HD2 ARG 56 -11.376 -10.640 1.284 443 HD3 ARG 56 HD3 ARG 56 -11.765 -10.145 2.946 444 HE ARG 56 HE ARG 56 -14.186 -10.840 1.854 445 HH11 ARG 56 HH11 ARG 56 -11.066 -12.576 2.036 446 HH12 ARG 56 HH12 ARG 56 -11.786 -14.142 2.081 447 HH21 ARG 56 HH21 ARG 56 -15.126 -12.926 1.960 448 HH22 ARG 56 HH22 ARG 56 -14.158 -14.354 1.853 449 H ARG 57 H ARG 57 -10.463 -5.491 0.324 450 HA ARG 57 HA ARG 57 -7.826 -5.836 -0.506 451 HB2 ARG 57 HB2 ARG 57 -9.709 -3.446 -0.441 452 HB3 ARG 57 HB3 ARG 57 -8.146 -3.358 -1.194 453 HG2 ARG 57 HG2 ARG 57 -8.699 -5.143 -2.773 454 HG3 ARG 57 HG3 ARG 57 -10.222 -5.453 -1.979 455 HD2 ARG 57 HD2 ARG 57 -11.037 -3.194 -2.541 456 HD3 ARG 57 HD3 ARG 57 -9.463 -2.793 -3.236 457 HE ARG 57 HE ARG 57 -10.698 -5.169 -4.374 458 HH11 ARG 57 HH11 ARG 57 -10.418 -1.590 -4.810 459 HH12 ARG 57 HH12 ARG 57 -11.134 -1.694 -6.399 460 HH21 ARG 57 HH21 ARG 57 -11.637 -5.141 -6.438 461 HH22 ARG 57 HH22 ARG 57 -11.628 -3.682 -7.368 462 H MET 58 H MET 58 -8.985 -3.433 1.999 463 HA MET 58 HA MET 58 -6.284 -2.682 2.635 464 HB2 MET 58 HB2 MET 58 -8.953 -2.237 4.012 465 HB3 MET 58 HB3 MET 58 -7.419 -1.755 4.750 466 HG2 MET 58 HG2 MET 58 -6.874 -0.611 2.500 467 HG3 MET 58 HG3 MET 58 -8.591 -0.771 2.133 468 HE1 MET 58 HE1 MET 58 -10.046 1.473 5.136 469 HE2 MET 58 HE2 MET 58 -10.515 0.521 3.709 470 HE3 MET 58 HE3 MET 58 -9.787 -0.283 5.123 471 H ASP 59 H ASP 59 -8.321 -5.356 3.794 472 HA ASP 59 HA ASP 59 -6.859 -5.946 6.154 473 HB2 ASP 59 HB2 ASP 59 -9.043 -6.968 4.971 474 HB3 ASP 59 HB3 ASP 59 -7.958 -8.170 4.415 475 H ILE 60 H ILE 60 -6.636 -7.093 2.849 476 HA ILE 60 HA ILE 60 -4.390 -8.839 3.119 477 HB ILE 60 HB ILE 60 -5.758 -7.455 0.781 478 HG12 ILE 60 HG12 ILE 60 -5.801 -10.425 1.374 479 HG13 ILE 60 HG13 ILE 60 -6.844 -9.368 2.310 480 HG21 ILE 60 HG21 ILE 60 -3.584 -9.599 0.686 481 HG22 ILE 60 HG22 ILE 60 -4.609 -9.139 -0.693 482 HG23 ILE 60 HG23 ILE 60 -3.499 -7.961 -0.002 483 HD11 ILE 60 HD11 ILE 60 -6.938 -9.736 -0.693 484 HD12 ILE 60 HD12 ILE 60 -8.158 -10.177 0.537 485 HD13 ILE 60 HD13 ILE 60 -7.832 -8.480 0.197 486 H ALA 61 H ALA 61 -4.741 -5.339 2.599 487 HA ALA 61 HA ALA 61 -1.959 -4.925 1.885 488 HB1 ALA 61 HB1 ALA 61 -4.054 -2.951 2.913 489 HB2 ALA 61 HB2 ALA 61 -2.496 -2.552 2.186 490 HB3 ALA 61 HB3 ALA 61 -3.747 -3.347 1.194 491 H LEU 62 H LEU 62 -3.973 -4.736 4.899 492 HA LEU 62 HA LEU 62 -1.960 -3.676 6.604 493 HB2 LEU 62 HB2 LEU 62 -4.461 -5.313 7.002 494 HB3 LEU 62 HB3 LEU 62 -3.378 -5.083 8.359 495 HG LEU 62 HG LEU 62 -4.278 -2.675 6.767 496 HD11 LEU 62 HD11 LEU 62 -6.365 -3.754 7.232 497 HD12 LEU 62 HD12 LEU 62 -6.191 -2.436 8.391 498 HD13 LEU 62 HD13 LEU 62 -5.900 -4.125 8.897 499 HD21 LEU 62 HD21 LEU 62 -2.518 -2.347 8.447 500 HD22 LEU 62 HD22 LEU 62 -3.520 -3.100 9.696 501 HD23 LEU 62 HD23 LEU 62 -4.001 -1.555 8.965 502 H LEU 63 H LEU 63 -2.681 -6.966 5.594 503 HA LEU 63 HA LEU 63 -0.918 -8.363 7.336 504 HB2 LEU 63 HB2 LEU 63 -2.135 -8.977 4.613 505 HB3 LEU 63 HB3 LEU 63 -1.076 -10.117 5.410 506 HG LEU 63 HG LEU 63 -3.702 -9.136 6.571 507 HD11 LEU 63 HD11 LEU 63 -2.901 -11.806 5.323 508 HD12 LEU 63 HD12 LEU 63 -3.968 -10.591 4.594 509 HD13 LEU 63 HD13 LEU 63 -4.471 -11.407 6.067 510 HD21 LEU 63 HD21 LEU 63 -3.311 -11.085 8.152 511 HD22 LEU 63 HD22 LEU 63 -2.283 -9.680 8.412 512 HD23 LEU 63 HD23 LEU 63 -1.623 -11.106 7.582 513 H GLN 64 H GLN 64 0.062 -6.162 4.921 514 HA GLN 64 HA GLN 64 2.489 -7.699 4.235 515 HB2 GLN 64 HB2 GLN 64 1.715 -4.940 3.272 516 HB3 GLN 64 HB3 GLN 64 2.877 -6.066 2.563 517 HG2 GLN 64 HG2 GLN 64 -0.137 -6.396 2.660 518 HG3 GLN 64 HG3 GLN 64 0.770 -5.877 1.279 519 HE21 GLN 64 HE21 GLN 64 -0.995 -8.047 1.380 520 HE22 GLN 64 HE22 GLN 64 -0.050 -9.435 0.792 521 H HIS 65 H HIS 65 1.656 -6.107 6.958 522 HA HIS 65 HA HIS 65 3.773 -4.197 7.296 523 HB2 HIS 65 HB2 HIS 65 1.557 -4.214 8.492 524 HB3 HIS 65 HB3 HIS 65 2.057 -5.655 9.353 525 HD2 HIS 65 HD2 HIS 65 1.613 -4.067 11.509 526 HE1 HIS 65 HE1 HIS 65 5.094 -1.659 11.102 527 HE2 HIS 65 HE2 HIS 65 3.221 -2.304 12.666 528 H GLY 66 H GLY 66 5.828 -4.811 7.456 529 HA2 GLY 66 HA2 GLY 66 7.647 -5.788 8.578 530 HA3 GLY 66 HA3 GLY 66 6.638 -7.082 9.184 531 H THR 67 H THR 67 6.097 -6.728 5.734 532 HA THR 67 HA THR 67 7.515 -9.229 5.359 533 HB THR 67 HB THR 67 6.777 -8.973 2.997 534 HG1 THR 67 HG1 THR 67 5.274 -7.346 2.564 535 HG21 THR 67 HG21 THR 67 5.340 -10.105 4.658 536 HG22 THR 67 HG22 THR 67 4.370 -9.255 3.450 537 HG23 THR 67 HG23 THR 67 4.572 -8.564 5.072 538 H LEU 68 H LEU 68 9.225 -9.580 3.864 539 HA LEU 68 HA LEU 68 11.226 -7.399 3.851 540 HB2 LEU 68 HB2 LEU 68 11.590 -10.377 3.424 541 HB3 LEU 68 HB3 LEU 68 12.864 -9.163 3.543 542 HG LEU 68 HG LEU 68 11.163 -10.406 5.721 543 HD11 LEU 68 HD11 LEU 68 14.098 -9.619 5.560 544 HD12 LEU 68 HD12 LEU 68 13.444 -11.259 5.411 545 HD13 LEU 68 HD13 LEU 68 13.315 -10.362 6.967 546 HD21 LEU 68 HD21 LEU 68 12.367 -7.650 5.784 547 HD22 LEU 68 HD22 LEU 68 12.112 -8.560 7.272 548 HD23 LEU 68 HD23 LEU 68 10.728 -8.164 6.252 549 H LEU 69 H LEU 69 11.017 -6.267 2.073 550 HA LEU 69 HA LEU 69 10.567 -7.593 -0.576 551 HB2 LEU 69 HB2 LEU 69 9.016 -5.740 0.722 552 HB3 LEU 69 HB3 LEU 69 10.075 -4.657 -0.164 553 HG LEU 69 HG LEU 69 8.684 -6.982 -1.556 554 HD11 LEU 69 HD11 LEU 69 7.418 -4.311 -0.828 555 HD12 LEU 69 HD12 LEU 69 6.887 -5.943 -0.382 556 HD13 LEU 69 HD13 LEU 69 6.796 -5.405 -2.061 557 HD21 LEU 69 HD21 LEU 69 9.406 -4.190 -2.572 558 HD22 LEU 69 HD22 LEU 69 8.707 -5.549 -3.488 559 HD23 LEU 69 HD23 LEU 69 10.351 -5.679 -2.852 560 H LYS 70 H LYS 70 12.416 -7.554 -1.817 561 HA LYS 70 HA LYS 70 14.644 -7.219 -2.333 562 HB2 LYS 70 HB2 LYS 70 13.831 -4.354 -1.974 563 HB3 LYS 70 HB3 LYS 70 15.315 -4.885 -2.702 564 HG2 LYS 70 HG2 LYS 70 14.029 -5.905 -4.555 565 HG3 LYS 70 HG3 LYS 70 12.522 -5.432 -3.730 566 HD2 LYS 70 HD2 LYS 70 13.509 -3.006 -3.734 567 HD3 LYS 70 HD3 LYS 70 14.670 -3.607 -4.917 568 HE2 LYS 70 HE2 LYS 70 11.953 -4.479 -5.441 569 HE3 LYS 70 HE3 LYS 70 11.974 -2.727 -5.312 570 HZ1 LYS 70 HZ1 LYS 70 13.706 -4.336 -7.110 571 HZ2 LYS 70 HZ2 LYS 70 13.738 -2.695 -6.997 572 HZ3 LYS 70 HZ3 LYS 70 12.410 -3.471 -7.593 573 H GLU 71 H GLU 71 14.457 -8.030 0.168 574 HA GLU 71 HA GLU 71 15.486 -8.249 2.171 575 HB2 GLU 71 HB2 GLU 71 17.790 -6.739 0.905 576 HB3 GLU 71 HB3 GLU 71 17.839 -7.823 2.303 577 HG2 GLU 71 HG2 GLU 71 16.915 -9.650 0.766 578 HG3 GLU 71 HG3 GLU 71 17.343 -8.577 -0.583 579 H LYS 72 H LYS 72 13.767 -5.796 1.880 580 HA LYS 72 HA LYS 72 14.896 -4.340 4.205 581 HB2 LYS 72 HB2 LYS 72 13.764 -3.248 1.640 582 HB3 LYS 72 HB3 LYS 72 13.482 -2.373 3.147 583 HG2 LYS 72 HG2 LYS 72 16.259 -3.303 2.289 584 HG3 LYS 72 HG3 LYS 72 15.600 -1.719 1.883 585 HD2 LYS 72 HD2 LYS 72 15.234 -1.286 4.338 586 HD3 LYS 72 HD3 LYS 72 16.137 -2.771 4.687 587 HE2 LYS 72 HE2 LYS 72 17.214 -0.446 3.077 588 HE3 LYS 72 HE3 LYS 72 17.467 -0.694 4.814 589 HZ1 LYS 72 HZ1 LYS 72 18.579 -2.768 4.303 590 HZ2 LYS 72 HZ2 LYS 72 19.326 -1.508 3.577 591 HZ3 LYS 72 HZ3 LYS 72 18.424 -2.516 2.679 592 H LYS 73 H LYS 73 13.673 -4.505 5.900 593 HA LYS 73 HA LYS 73 11.057 -5.795 5.704 594 HB2 LYS 73 HB2 LYS 73 12.818 -6.259 7.503 595 HB3 LYS 73 HB3 LYS 73 12.481 -4.657 8.151 596 HG2 LYS 73 HG2 LYS 73 10.191 -5.200 8.612 597 HG3 LYS 73 HG3 LYS 73 10.227 -6.613 7.621 598 HD2 LYS 73 HD2 LYS 73 10.803 -7.899 9.300 599 HD3 LYS 73 HD3 LYS 73 12.291 -6.986 9.596 600 HE2 LYS 73 HE2 LYS 73 9.545 -6.631 10.772 601 HE3 LYS 73 HE3 LYS 73 11.058 -7.068 11.595 602 HZ1 LYS 73 HZ1 LYS 73 11.832 -4.771 11.240 603 HZ2 LYS 73 HZ2 LYS 73 10.368 -4.705 11.956 604 HZ3 LYS 73 HZ3 LYS 73 10.479 -4.400 10.376 605 H ILE 74 H ILE 74 9.591 -4.487 4.971 606 HA ILE 74 HA ILE 74 9.487 -1.620 5.627 607 HB ILE 74 HB ILE 74 7.755 -1.502 3.939 608 HG12 ILE 74 HG12 ILE 74 8.054 -4.533 3.815 609 HG13 ILE 74 HG13 ILE 74 6.604 -3.631 4.217 610 HG21 ILE 74 HG21 ILE 74 9.198 -1.848 2.062 611 HG22 ILE 74 HG22 ILE 74 10.248 -1.482 3.436 612 HG23 ILE 74 HG23 ILE 74 10.082 -3.148 2.873 613 HD11 ILE 74 HD11 ILE 74 6.546 -2.787 1.891 614 HD12 ILE 74 HD12 ILE 74 8.008 -3.734 1.511 615 HD13 ILE 74 HD13 ILE 74 6.539 -4.575 1.976 616 H ASN 75 H ASN 75 7.239 -0.713 6.056 617 HA ASN 75 HA ASN 75 5.754 -2.319 8.076 618 HB2 ASN 75 HB2 ASN 75 5.419 -0.090 9.284 619 HB3 ASN 75 HB3 ASN 75 7.011 -0.840 9.447 620 HD21 ASN 75 HD21 ASN 75 5.156 1.896 7.974 621 HD22 ASN 75 HD22 ASN 75 6.587 2.656 7.265 622 H VAL 76 H VAL 76 3.534 -1.683 8.348 623 HA VAL 76 HA VAL 76 2.445 0.062 6.192 624 HB VAL 76 HB VAL 76 1.589 -2.729 7.030 625 HG11 VAL 76 HG11 VAL 76 -0.269 -2.469 5.349 626 HG12 VAL 76 HG12 VAL 76 -0.459 -1.518 6.819 627 HG13 VAL 76 HG13 VAL 76 0.091 -0.732 5.303 628 HG21 VAL 76 HG21 VAL 76 1.837 -3.345 4.734 629 HG22 VAL 76 HG22 VAL 76 2.275 -1.689 4.281 630 HG23 VAL 76 HG23 VAL 76 3.365 -2.660 5.315 631 H GLU 77 H GLU 77 0.561 1.193 6.792 632 HA GLU 77 HA GLU 77 -0.801 0.864 9.305 633 HB2 GLU 77 HB2 GLU 77 -0.180 3.245 10.016 634 HB3 GLU 77 HB3 GLU 77 0.993 1.986 10.329 635 HG2 GLU 77 HG2 GLU 77 1.674 3.105 7.788 636 HG3 GLU 77 HG3 GLU 77 1.228 4.458 8.824 637 H LEU 78 H LEU 78 -2.368 2.880 9.523 638 HA LEU 78 HA LEU 78 -3.550 3.443 6.869 639 HB2 LEU 78 HB2 LEU 78 -4.555 3.232 9.709 640 HB3 LEU 78 HB3 LEU 78 -5.352 4.358 8.637 641 HG LEU 78 HG LEU 78 -6.568 2.363 8.791 642 HD11 LEU 78 HD11 LEU 78 -6.593 3.607 6.640 643 HD12 LEU 78 HD12 LEU 78 -6.961 1.882 6.455 644 HD13 LEU 78 HD13 LEU 78 -5.359 2.497 6.001 645 HD21 LEU 78 HD21 LEU 78 -4.214 0.855 7.650 646 HD22 LEU 78 HD22 LEU 78 -5.834 0.191 7.946 647 HD23 LEU 78 HD23 LEU 78 -4.835 0.742 9.304 648 H THR 79 H THR 79 -4.222 5.633 6.456 649 HA THR 79 HA THR 79 -3.106 7.721 8.210 650 HB THR 79 HB THR 79 -1.293 7.133 6.833 651 HG1 THR 79 HG1 THR 79 -0.718 9.008 6.650 652 HG21 THR 79 HG21 THR 79 -1.297 7.589 4.324 653 HG22 THR 79 HG22 THR 79 -2.982 7.052 4.576 654 HG23 THR 79 HG23 THR 79 -1.706 6.018 5.061 655 H VAL 80 H VAL 80 -5.287 8.055 8.670 656 HA VAL 80 HA VAL 80 -6.521 10.016 7.076 657 HB VAL 80 HB VAL 80 -7.248 8.432 5.505 658 HG11 VAL 80 HG11 VAL 80 -8.423 6.387 5.945 659 HG12 VAL 80 HG12 VAL 80 -6.855 6.332 6.736 660 HG13 VAL 80 HG13 VAL 80 -8.325 6.632 7.701 661 HG21 VAL 80 HG21 VAL 80 -8.976 10.031 6.153 662 HG22 VAL 80 HG22 VAL 80 -9.657 8.488 5.607 663 HG23 VAL 80 HG23 VAL 80 -9.608 8.888 7.333 664 H GLY 81 H GLY 81 -7.141 7.552 9.517 665 HA2 GLY 81 HA2 GLY 81 -7.891 9.614 11.436 666 HA3 GLY 81 HA3 GLY 81 -9.273 8.713 10.851 667 H GLY 82 H GLY 82 -6.295 6.906 11.065 668 HA2 GLY 82 HA2 GLY 82 -6.059 5.994 13.589 669 HA3 GLY 82 HA3 GLY 82 -7.261 4.923 12.800 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -14.379 12.911 2.350 2 HA2 GLY 1 HA2 GLY 1 -16.235 12.106 0.987 3 HA3 GLY 1 HA3 GLY 1 -14.665 11.603 0.306 4 H ASN 2 H ASN 2 -14.418 9.449 -0.105 5 HA ASN 2 HA ASN 2 -15.652 7.436 1.582 6 HB2 ASN 2 HB2 ASN 2 -16.750 6.238 -0.342 7 HB3 ASN 2 HB3 ASN 2 -17.587 7.636 0.305 8 HD21 ASN 2 HD21 ASN 2 -15.077 7.054 -2.387 9 HD22 ASN 2 HD22 ASN 2 -15.911 8.068 -3.486 10 H ARG 3 H ARG 3 -13.017 7.835 1.490 11 HA ARG 3 HA ARG 3 -12.100 5.413 0.160 12 HB2 ARG 3 HB2 ARG 3 -10.385 6.375 -1.220 13 HB3 ARG 3 HB3 ARG 3 -11.932 7.054 -1.657 14 HG2 ARG 3 HG2 ARG 3 -10.702 8.895 -1.799 15 HG3 ARG 3 HG3 ARG 3 -11.200 9.064 -0.115 16 HD2 ARG 3 HD2 ARG 3 -9.038 8.310 0.669 17 HD3 ARG 3 HD3 ARG 3 -8.617 7.717 -0.947 18 HE ARG 3 HE ARG 3 -8.322 9.906 -1.754 19 HH11 ARG 3 HH11 ARG 3 -9.031 10.145 1.797 20 HH12 ARG 3 HH12 ARG 3 -8.229 11.678 1.858 21 HH21 ARG 3 HH21 ARG 3 -7.557 11.947 -1.543 22 HH22 ARG 3 HH22 ARG 3 -7.346 12.676 0.032 23 H PHE 4 H PHE 4 -9.821 4.877 0.791 24 HA PHE 4 HA PHE 4 -8.986 6.148 3.361 25 HB2 PHE 4 HB2 PHE 4 -9.259 3.165 2.731 26 HB3 PHE 4 HB3 PHE 4 -8.575 3.829 4.213 27 HD1 PHE 4 HD2 PHE 4 -10.041 4.970 5.860 28 HD2 PHE 4 HD1 PHE 4 -11.634 2.941 2.420 29 HE1 PHE 4 HE2 PHE 4 -12.301 4.944 6.919 30 HE2 PHE 4 HE1 PHE 4 -13.870 2.846 3.519 31 HZ PHE 4 HZ PHE 4 -14.206 3.871 5.743 32 H ILE 5 H ILE 5 -6.733 5.410 3.943 33 HA ILE 5 HA ILE 5 -5.097 4.966 1.511 34 HB ILE 5 HB ILE 5 -4.676 7.166 3.575 35 HG12 ILE 5 HG12 ILE 5 -5.223 7.709 0.643 36 HG13 ILE 5 HG13 ILE 5 -6.569 7.531 1.727 37 HG21 ILE 5 HG21 ILE 5 -2.865 7.941 1.986 38 HG22 ILE 5 HG22 ILE 5 -2.520 6.384 2.719 39 HG23 ILE 5 HG23 ILE 5 -3.108 6.460 1.041 40 HD11 ILE 5 HD11 ILE 5 -5.888 9.859 1.381 41 HD12 ILE 5 HD12 ILE 5 -6.031 9.310 3.060 42 HD13 ILE 5 HD13 ILE 5 -4.416 9.535 2.322 43 H VAL 6 H VAL 6 -3.119 3.945 1.928 44 HA VAL 6 HA VAL 6 -2.702 2.898 4.686 45 HB VAL 6 HB VAL 6 -2.308 1.464 2.031 46 HG11 VAL 6 HG11 VAL 6 -1.885 0.519 4.897 47 HG12 VAL 6 HG12 VAL 6 -1.782 -0.501 3.445 48 HG13 VAL 6 HG13 VAL 6 -0.619 0.813 3.685 49 HG21 VAL 6 HG21 VAL 6 -4.682 1.561 2.590 50 HG22 VAL 6 HG22 VAL 6 -4.091 -0.073 2.903 51 HG23 VAL 6 HG23 VAL 6 -4.353 1.044 4.259 52 H PHE 7 H PHE 7 -0.797 3.359 5.486 53 HA PHE 7 HA PHE 7 1.167 4.919 3.924 54 HB2 PHE 7 HB2 PHE 7 0.340 5.677 6.222 55 HB3 PHE 7 HB3 PHE 7 0.925 4.182 6.880 56 HD1 PHE 7 HD1 PHE 7 2.332 6.912 4.649 57 HD2 PHE 7 HD2 PHE 7 3.002 4.288 8.013 58 HE1 PHE 7 HE1 PHE 7 4.575 7.848 4.942 59 HE2 PHE 7 HE2 PHE 7 5.200 5.308 8.370 60 HZ PHE 7 HZ PHE 7 5.995 7.091 6.862 61 H VAL 8 H VAL 8 3.230 4.014 3.466 62 HA VAL 8 HA VAL 8 3.925 1.507 4.790 63 HB VAL 8 HB VAL 8 4.206 1.872 1.791 64 HG11 VAL 8 HG11 VAL 8 4.355 -0.698 3.406 65 HG12 VAL 8 HG12 VAL 8 4.788 -0.456 1.705 66 HG13 VAL 8 HG13 VAL 8 5.768 0.243 3.012 67 HG21 VAL 8 HG21 VAL 8 2.402 0.135 1.563 68 HG22 VAL 8 HG22 VAL 8 2.031 0.356 3.286 69 HG23 VAL 8 HG23 VAL 8 1.822 1.700 2.151 70 H GLY 9 H GLY 9 6.123 1.689 5.558 71 HA2 GLY 9 HA2 GLY 9 7.872 3.566 4.083 72 HA3 GLY 9 HA3 GLY 9 7.675 3.891 5.759 73 H SER 10 H SER 10 10.119 3.506 5.199 74 HA SER 10 HA SER 10 12.012 2.424 5.727 75 HB2 SER 10 HB2 SER 10 10.287 0.992 7.265 76 HB3 SER 10 HB3 SER 10 10.785 -0.262 6.146 77 HG SER 10 HG SER 10 12.075 0.118 8.136 78 H LEU 11 H LEU 11 10.472 2.410 3.088 79 HA LEU 11 HA LEU 11 11.065 0.045 1.671 80 HB2 LEU 11 HB2 LEU 11 10.438 2.870 0.788 81 HB3 LEU 11 HB3 LEU 11 10.826 1.611 -0.378 82 HG LEU 11 HG LEU 11 8.992 0.206 0.355 83 HD11 LEU 11 HD11 LEU 11 7.187 1.325 1.851 84 HD12 LEU 11 HD12 LEU 11 8.440 2.458 2.343 85 HD13 LEU 11 HD13 LEU 11 8.608 0.724 2.699 86 HD21 LEU 11 HD21 LEU 11 8.120 3.095 -0.114 87 HD22 LEU 11 HD22 LEU 11 7.131 1.636 -0.415 88 HD23 LEU 11 HD23 LEU 11 8.579 1.934 -1.363 89 HA PRO 12 HA PRO 12 15.396 0.320 0.842 90 HB2 PRO 12 HB2 PRO 12 15.449 -1.056 -1.637 91 HB3 PRO 12 HB3 PRO 12 15.482 -1.808 -0.030 92 HG2 PRO 12 HG2 PRO 12 13.213 -1.485 -1.940 93 HG3 PRO 12 HG3 PRO 12 13.510 -2.793 -0.764 94 HD2 PRO 12 HD2 PRO 12 11.682 -0.753 -0.400 95 HD3 PRO 12 HD3 PRO 12 12.444 -1.623 0.946 96 H ARG 13 H ARG 13 16.967 1.248 -0.719 97 HA ARG 13 HA ARG 13 16.000 3.641 -2.001 98 HB2 ARG 13 HB2 ARG 13 18.572 2.265 -1.853 99 HB3 ARG 13 HB3 ARG 13 18.338 3.299 -3.249 100 HG2 ARG 13 HG2 ARG 13 19.389 4.683 -1.798 101 HG3 ARG 13 HG3 ARG 13 17.714 5.176 -1.609 102 HD2 ARG 13 HD2 ARG 13 17.566 4.267 0.566 103 HD3 ARG 13 HD3 ARG 13 18.871 3.115 0.284 104 HE ARG 13 HE ARG 13 19.115 5.864 1.192 105 HH11 ARG 13 HH11 ARG 13 20.927 3.083 -0.179 106 HH12 ARG 13 HH12 ARG 13 22.435 3.940 -0.175 107 HH21 ARG 13 HH21 ARG 13 21.245 6.806 1.481 108 HH22 ARG 13 HH22 ARG 13 22.612 5.993 0.800 109 H ASP 14 H ASP 14 17.000 0.469 -3.235 110 HA ASP 14 HA ASP 14 16.447 0.976 -5.988 111 HB2 ASP 14 HB2 ASP 14 17.704 -1.087 -4.433 112 HB3 ASP 14 HB3 ASP 14 16.574 -1.836 -5.550 113 H ILE 15 H ILE 15 14.105 1.059 -3.829 114 HA ILE 15 HA ILE 15 12.264 -0.938 -4.638 115 HB ILE 15 HB ILE 15 12.040 0.413 -2.593 116 HG12 ILE 15 HG12 ILE 15 9.555 0.941 -2.885 117 HG13 ILE 15 HG13 ILE 15 9.691 0.408 -4.558 118 HG21 ILE 15 HG21 ILE 15 11.050 2.688 -4.302 119 HG22 ILE 15 HG22 ILE 15 11.382 2.673 -2.545 120 HG23 ILE 15 HG23 ILE 15 12.707 2.633 -3.705 121 HD11 ILE 15 HD11 ILE 15 10.393 -1.810 -3.816 122 HD12 ILE 15 HD12 ILE 15 10.403 -1.259 -2.116 123 HD13 ILE 15 HD13 ILE 15 8.884 -1.328 -3.022 124 H THR 16 H THR 16 10.751 -1.065 -6.357 125 HA THR 16 HA THR 16 10.745 1.167 -8.283 126 HB THR 16 HB THR 16 10.293 -1.493 -9.399 127 HG1 THR 16 HG1 THR 16 12.996 -1.178 -8.872 128 HG21 THR 16 HG21 THR 16 12.337 0.668 -10.035 129 HG22 THR 16 HG22 THR 16 10.719 0.482 -10.747 130 HG23 THR 16 HG23 THR 16 11.956 -0.746 -11.045 131 H ALA 17 H ALA 17 8.779 1.477 -9.388 132 HA ALA 17 HA ALA 17 6.383 1.055 -7.954 133 HB1 ALA 17 HB1 ALA 17 6.894 1.685 -10.894 134 HB2 ALA 17 HB2 ALA 17 5.309 1.793 -10.100 135 HB3 ALA 17 HB3 ALA 17 6.631 2.855 -9.571 136 H VAL 18 H VAL 18 7.995 -0.892 -10.432 137 HA VAL 18 HA VAL 18 5.863 -2.596 -11.157 138 HB VAL 18 HB VAL 18 8.881 -3.122 -10.980 139 HG11 VAL 18 HG11 VAL 18 6.821 -4.597 -12.678 140 HG12 VAL 18 HG12 VAL 18 8.579 -4.852 -12.682 141 HG13 VAL 18 HG13 VAL 18 7.645 -5.261 -11.243 142 HG21 VAL 18 HG21 VAL 18 7.208 -2.111 -13.306 143 HG22 VAL 18 HG22 VAL 18 8.440 -1.186 -12.423 144 HG23 VAL 18 HG23 VAL 18 8.922 -2.567 -13.405 145 H GLU 19 H GLU 19 8.274 -2.770 -8.515 146 HA GLU 19 HA GLU 19 7.536 -5.346 -7.556 147 HB2 GLU 19 HB2 GLU 19 8.777 -3.059 -5.992 148 HB3 GLU 19 HB3 GLU 19 8.951 -4.769 -5.671 149 HG2 GLU 19 HG2 GLU 19 10.013 -3.449 -8.211 150 HG3 GLU 19 HG3 GLU 19 10.889 -3.507 -6.713 151 H LEU 20 H LEU 20 6.608 -1.988 -6.789 152 HA LEU 20 HA LEU 20 4.907 -2.524 -4.585 153 HB2 LEU 20 HB2 LEU 20 5.699 -0.268 -6.278 154 HB3 LEU 20 HB3 LEU 20 3.972 -0.217 -6.030 155 HG LEU 20 HG LEU 20 4.251 -0.155 -3.599 156 HD11 LEU 20 HD11 LEU 20 7.231 -0.337 -4.221 157 HD12 LEU 20 HD12 LEU 20 6.290 -1.508 -3.269 158 HD13 LEU 20 HD13 LEU 20 6.567 0.114 -2.631 159 HD21 LEU 20 HD21 LEU 20 5.444 2.041 -3.478 160 HD22 LEU 20 HD22 LEU 20 4.370 1.965 -4.875 161 HD23 LEU 20 HD23 LEU 20 6.116 1.740 -5.104 162 H GLN 21 H GLN 21 4.074 -2.050 -8.066 163 HA GLN 21 HA GLN 21 1.291 -2.528 -7.722 164 HB2 GLN 21 HB2 GLN 21 3.219 -2.885 -10.048 165 HB3 GLN 21 HB3 GLN 21 1.531 -3.334 -10.221 166 HG2 GLN 21 HG2 GLN 21 2.168 -0.565 -9.182 167 HG3 GLN 21 HG3 GLN 21 2.471 -0.913 -10.863 168 HE21 GLN 21 HE21 GLN 21 -0.424 -2.492 -9.305 169 HE22 GLN 21 HE22 GLN 21 -1.536 -1.563 -10.223 170 H ASN 22 H ASN 22 4.022 -4.769 -8.445 171 HA ASN 22 HA ASN 22 2.441 -7.114 -8.572 172 HB2 ASN 22 HB2 ASN 22 4.693 -7.082 -9.446 173 HB3 ASN 22 HB3 ASN 22 5.368 -6.700 -7.853 174 HD21 ASN 22 HD21 ASN 22 6.257 -8.469 -6.849 175 HD22 ASN 22 HD22 ASN 22 5.694 -10.108 -7.023 176 H HIS 23 H HIS 23 4.052 -5.686 -5.659 177 HA HIS 23 HA HIS 23 3.342 -7.951 -4.034 178 HB2 HIS 23 HB2 HIS 23 4.769 -5.448 -3.630 179 HB3 HIS 23 HB3 HIS 23 3.654 -5.748 -2.306 180 HD2 HIS 23 HD2 HIS 23 4.091 -7.892 -0.776 181 HE1 HIS 23 HE1 HIS 23 7.708 -9.188 -2.603 182 HE2 HIS 23 HE2 HIS 23 6.148 -9.599 -0.690 183 H PHE 24 H PHE 24 1.804 -4.714 -4.444 184 HA PHE 24 HA PHE 24 -0.470 -5.571 -2.795 185 HB2 PHE 24 HB2 PHE 24 0.161 -2.980 -4.207 186 HB3 PHE 24 HB3 PHE 24 -1.263 -3.267 -3.210 187 HD1 PHE 24 HD2 PHE 24 -1.016 -3.926 -0.767 188 HD2 PHE 24 HD1 PHE 24 2.301 -2.581 -3.147 189 HE1 PHE 24 HE2 PHE 24 0.228 -3.354 1.303 190 HE2 PHE 24 HE1 PHE 24 3.564 -2.019 -1.066 191 HZ PHE 24 HZ PHE 24 2.506 -2.390 1.155 192 H LYS 25 H LYS 25 0.155 -6.475 -5.915 193 HA LYS 25 HA LYS 25 -2.044 -5.890 -7.391 194 HB2 LYS 25 HB2 LYS 25 -1.359 -7.621 -8.734 195 HB3 LYS 25 HB3 LYS 25 0.086 -7.178 -7.911 196 HG2 LYS 25 HG2 LYS 25 -0.269 -9.082 -6.320 197 HG3 LYS 25 HG3 LYS 25 -1.620 -9.631 -7.329 198 HD2 LYS 25 HD2 LYS 25 -0.199 -10.075 -9.184 199 HD3 LYS 25 HD3 LYS 25 1.140 -9.145 -8.496 200 HE2 LYS 25 HE2 LYS 25 1.146 -10.797 -6.549 201 HE3 LYS 25 HE3 LYS 25 0.081 -11.828 -7.522 202 HZ1 LYS 25 HZ1 LYS 25 2.719 -10.843 -8.406 203 HZ2 LYS 25 HZ2 LYS 25 1.775 -11.942 -9.184 204 HZ3 LYS 25 HZ3 LYS 25 2.508 -12.318 -7.728 205 H ASN 26 H ASN 26 -1.914 -8.426 -4.870 206 HA ASN 26 HA ASN 26 -4.550 -9.382 -5.541 207 HB2 ASN 26 HB2 ASN 26 -2.551 -10.497 -4.231 208 HB3 ASN 26 HB3 ASN 26 -3.309 -9.804 -2.814 209 HD21 ASN 26 HD21 ASN 26 -5.941 -10.202 -2.958 210 HD22 ASN 26 HD22 ASN 26 -6.304 -11.892 -3.089 211 H SER 27 H SER 27 -3.472 -6.645 -3.675 212 HA SER 27 HA SER 27 -6.073 -6.307 -2.284 213 HB2 SER 27 HB2 SER 27 -4.694 -4.195 -1.443 214 HB3 SER 27 HB3 SER 27 -4.514 -5.774 -0.713 215 HG SER 27 HG SER 27 -2.844 -4.871 -2.814 216 H SER 28 H SER 28 -4.413 -5.306 -5.138 217 HA SER 28 HA SER 28 -4.810 -3.791 -6.763 218 HB2 SER 28 HB2 SER 28 -7.674 -4.040 -5.896 219 HB3 SER 28 HB3 SER 28 -7.071 -3.653 -7.522 220 HG SER 28 HG SER 28 -6.279 -5.743 -7.661 221 HA PRO 29 HA PRO 29 -5.213 -0.061 -3.989 222 HB2 PRO 29 HB2 PRO 29 -2.898 1.188 -4.707 223 HB3 PRO 29 HB3 PRO 29 -2.959 -0.112 -3.471 224 HG2 PRO 29 HG2 PRO 29 -2.352 -0.402 -6.430 225 HG3 PRO 29 HG3 PRO 29 -1.338 -0.992 -5.072 226 HD2 PRO 29 HD2 PRO 29 -3.051 -2.620 -6.349 227 HD3 PRO 29 HD3 PRO 29 -2.940 -2.691 -4.561 228 H ASP 30 H ASP 30 -5.797 2.126 -4.719 229 HA ASP 30 HA ASP 30 -6.608 2.105 -7.542 230 HB2 ASP 30 HB2 ASP 30 -8.140 2.699 -5.506 231 HB3 ASP 30 HB3 ASP 30 -7.325 4.274 -5.567 232 H GLN 31 H GLN 31 -4.695 3.881 -5.143 233 HA GLN 31 HA GLN 31 -3.315 5.301 -7.341 234 HB2 GLN 31 HB2 GLN 31 -4.841 6.544 -5.548 235 HB3 GLN 31 HB3 GLN 31 -3.368 6.387 -4.582 236 HG2 GLN 31 HG2 GLN 31 -3.303 8.480 -5.678 237 HG3 GLN 31 HG3 GLN 31 -2.090 7.482 -6.451 238 HE21 GLN 31 HE21 GLN 31 -5.734 7.969 -6.883 239 HE22 GLN 31 HE22 GLN 31 -5.559 8.290 -8.597 240 H ILE 32 H ILE 32 -0.994 5.414 -7.183 241 HA ILE 32 HA ILE 32 0.299 4.002 -4.927 242 HB ILE 32 HB ILE 32 0.771 3.393 -7.878 243 HG12 ILE 32 HG12 ILE 32 -0.464 1.647 -5.700 244 HG13 ILE 32 HG13 ILE 32 -1.288 2.315 -7.118 245 HG21 ILE 32 HG21 ILE 32 2.041 1.983 -5.498 246 HG22 ILE 32 HG22 ILE 32 2.456 1.809 -7.212 247 HG23 ILE 32 HG23 ILE 32 2.846 3.302 -6.375 248 HD11 ILE 32 HD11 ILE 32 0.738 0.095 -7.047 249 HD12 ILE 32 HD12 ILE 32 -0.854 0.169 -7.838 250 HD13 ILE 32 HD13 ILE 32 0.495 1.078 -8.516 251 H ARG 33 H ARG 33 1.520 5.670 -4.136 252 HA ARG 33 HA ARG 33 3.206 7.134 -6.076 253 HB2 ARG 33 HB2 ARG 33 1.139 8.347 -4.513 254 HB3 ARG 33 HB3 ARG 33 2.675 8.909 -3.872 255 HG2 ARG 33 HG2 ARG 33 1.912 8.985 -6.831 256 HG3 ARG 33 HG3 ARG 33 1.804 10.350 -5.703 257 HD2 ARG 33 HD2 ARG 33 4.180 10.321 -5.318 258 HD3 ARG 33 HD3 ARG 33 4.419 8.891 -6.325 259 HE ARG 33 HE ARG 33 3.826 11.664 -7.164 260 HH11 ARG 33 HH11 ARG 33 4.870 8.405 -8.229 261 HH12 ARG 33 HH12 ARG 33 5.375 8.974 -9.782 262 HH21 ARG 33 HH21 ARG 33 4.355 12.334 -9.241 263 HH22 ARG 33 HH22 ARG 33 5.112 11.264 -10.346 264 H LEU 34 H LEU 34 5.108 6.323 -5.761 265 HA LEU 34 HA LEU 34 6.127 5.501 -3.103 266 HB2 LEU 34 HB2 LEU 34 6.281 3.957 -4.932 267 HB3 LEU 34 HB3 LEU 34 7.058 5.114 -5.975 268 HG LEU 34 HG LEU 34 8.450 3.174 -4.822 269 HD11 LEU 34 HD11 LEU 34 9.373 5.014 -6.219 270 HD12 LEU 34 HD12 LEU 34 10.460 4.634 -4.882 271 HD13 LEU 34 HD13 LEU 34 9.451 6.066 -4.793 272 HD21 LEU 34 HD21 LEU 34 8.731 5.203 -2.586 273 HD22 LEU 34 HD22 LEU 34 9.407 3.595 -2.725 274 HD23 LEU 34 HD23 LEU 34 7.669 3.781 -2.514 275 H ARG 35 H ARG 35 7.280 6.990 -1.906 276 HA ARG 35 HA ARG 35 8.707 9.192 -3.324 277 HB2 ARG 35 HB2 ARG 35 6.947 9.150 -0.892 278 HB3 ARG 35 HB3 ARG 35 8.401 10.127 -0.793 279 HG2 ARG 35 HG2 ARG 35 6.463 11.423 -1.453 280 HG3 ARG 35 HG3 ARG 35 7.784 11.532 -2.607 281 HD2 ARG 35 HD2 ARG 35 5.568 9.522 -3.056 282 HD3 ARG 35 HD3 ARG 35 5.246 11.211 -3.370 283 HE ARG 35 HE ARG 35 6.951 9.429 -4.925 284 HH11 ARG 35 HH11 ARG 35 6.219 12.889 -4.326 285 HH12 ARG 35 HH12 ARG 35 6.881 13.367 -5.856 286 HH21 ARG 35 HH21 ARG 35 7.759 10.136 -6.972 287 HH22 ARG 35 HH22 ARG 35 7.806 11.823 -7.309 288 H ALA 36 H ALA 36 10.622 7.914 -3.589 289 HA ALA 36 HA ALA 36 11.826 6.522 -1.385 290 HB1 ALA 36 HB1 ALA 36 13.850 6.505 -2.707 291 HB2 ALA 36 HB2 ALA 36 12.462 6.149 -3.756 292 HB3 ALA 36 HB3 ALA 36 13.226 7.779 -3.764 293 H ASP 37 H ASP 37 11.528 9.859 -2.159 294 HA ASP 37 HA ASP 37 13.681 11.192 -1.109 295 HB2 ASP 37 HB2 ASP 37 10.717 11.812 -1.007 296 HB3 ASP 37 HB3 ASP 37 11.964 13.002 -0.610 297 H LYS 38 H LYS 38 11.247 9.405 0.623 298 HA LYS 38 HA LYS 38 12.561 9.872 3.228 299 HB2 LYS 38 HB2 LYS 38 9.687 10.381 2.547 300 HB3 LYS 38 HB3 LYS 38 10.030 9.588 4.087 301 HG2 LYS 38 HG2 LYS 38 11.611 11.412 4.676 302 HG3 LYS 38 HG3 LYS 38 11.119 12.261 3.208 303 HD2 LYS 38 HD2 LYS 38 8.714 12.190 4.066 304 HD3 LYS 38 HD3 LYS 38 9.317 11.381 5.517 305 HE2 LYS 38 HE2 LYS 38 9.204 13.537 6.274 306 HE3 LYS 38 HE3 LYS 38 10.890 13.447 5.767 307 HZ1 LYS 38 HZ1 LYS 38 10.172 14.580 3.686 308 HZ2 LYS 38 HZ2 LYS 38 9.868 15.446 5.053 309 HZ3 LYS 38 HZ3 LYS 38 8.633 14.680 4.313 310 H GLY 39 H GLY 39 11.746 7.677 0.864 311 HA2 GLY 39 HA2 GLY 39 11.757 5.414 0.744 312 HA3 GLY 39 HA3 GLY 39 12.341 5.344 2.417 313 H ILE 40 H ILE 40 9.294 6.571 0.897 314 HA ILE 40 HA ILE 40 7.685 4.623 2.374 315 HB ILE 40 HB ILE 40 6.124 6.706 2.739 316 HG12 ILE 40 HG12 ILE 40 8.685 8.139 2.989 317 HG13 ILE 40 HG13 ILE 40 7.873 8.150 1.403 318 HG21 ILE 40 HG21 ILE 40 8.537 6.076 4.457 319 HG22 ILE 40 HG22 ILE 40 7.328 7.275 4.933 320 HG23 ILE 40 HG23 ILE 40 6.823 5.617 4.676 321 HD11 ILE 40 HD11 ILE 40 5.864 9.147 2.347 322 HD12 ILE 40 HD12 ILE 40 6.615 9.195 3.964 323 HD13 ILE 40 HD13 ILE 40 7.280 10.160 2.631 324 H ALA 41 H ALA 41 5.380 4.769 1.650 325 HA ALA 41 HA ALA 41 4.945 5.691 -1.091 326 HB1 ALA 41 HB1 ALA 41 5.880 3.404 -1.351 327 HB2 ALA 41 HB2 ALA 41 4.659 2.770 -0.228 328 HB3 ALA 41 HB3 ALA 41 4.177 3.442 -1.792 329 H PHE 42 H PHE 42 2.698 5.882 -1.552 330 HA PHE 42 HA PHE 42 0.842 5.540 0.780 331 HB2 PHE 42 HB2 PHE 42 0.823 7.684 -1.390 332 HB3 PHE 42 HB3 PHE 42 -0.392 7.470 -0.142 333 HD1 PHE 42 HD1 PHE 42 0.271 7.755 2.314 334 HD2 PHE 42 HD2 PHE 42 2.785 9.009 -0.966 335 HE1 PHE 42 HE1 PHE 42 1.475 9.340 3.825 336 HE2 PHE 42 HE2 PHE 42 4.018 10.522 0.575 337 HZ PHE 42 HZ PHE 42 3.311 10.738 2.944 338 H LEU 43 H LEU 43 -0.944 4.344 0.333 339 HA LEU 43 HA LEU 43 -1.556 3.708 -2.505 340 HB2 LEU 43 HB2 LEU 43 -1.513 1.756 -0.169 341 HB3 LEU 43 HB3 LEU 43 -2.203 1.453 -1.763 342 HG LEU 43 HG LEU 43 0.271 2.257 -2.545 343 HD11 LEU 43 HD11 LEU 43 1.994 1.274 -1.074 344 HD12 LEU 43 HD12 LEU 43 0.740 0.825 0.097 345 HD13 LEU 43 HD13 LEU 43 1.113 2.530 -0.191 346 HD21 LEU 43 HD21 LEU 43 -0.496 -0.543 -1.687 347 HD22 LEU 43 HD22 LEU 43 0.909 -0.130 -2.698 348 HD23 LEU 43 HD23 LEU 43 -0.714 0.223 -3.280 349 H GLU 44 H GLU 44 -3.430 4.636 -2.888 350 HA GLU 44 HA GLU 44 -5.352 5.146 -0.660 351 HB2 GLU 44 HB2 GLU 44 -5.533 6.205 -3.474 352 HB3 GLU 44 HB3 GLU 44 -6.337 6.801 -2.030 353 HG2 GLU 44 HG2 GLU 44 -4.181 7.664 -1.153 354 HG3 GLU 44 HG3 GLU 44 -3.311 6.995 -2.505 355 H PHE 45 H PHE 45 -7.533 4.361 -0.877 356 HA PHE 45 HA PHE 45 -8.176 2.604 -3.182 357 HB2 PHE 45 HB2 PHE 45 -8.430 1.857 -0.245 358 HB3 PHE 45 HB3 PHE 45 -8.991 0.899 -1.595 359 HD1 PHE 45 HD1 PHE 45 -5.916 2.225 0.098 360 HD2 PHE 45 HD2 PHE 45 -7.554 -0.759 -2.556 361 HE1 PHE 45 HE1 PHE 45 -3.912 0.812 0.420 362 HE2 PHE 45 HE2 PHE 45 -5.570 -2.166 -2.174 363 HZ PHE 45 HZ PHE 45 -3.719 -1.378 -0.720 364 H ASP 46 H ASP 46 -10.166 3.251 -3.918 365 HA ASP 46 HA ASP 46 -11.886 5.010 -2.348 366 HB2 ASP 46 HB2 ASP 46 -11.535 5.349 -4.748 367 HB3 ASP 46 HB3 ASP 46 -12.393 3.835 -5.061 368 H ALA 47 H ALA 47 -13.374 4.479 -1.011 369 HA ALA 47 HA ALA 47 -14.068 1.732 -0.463 370 HB1 ALA 47 HB1 ALA 47 -15.255 2.627 1.422 371 HB2 ALA 47 HB2 ALA 47 -13.746 3.558 1.275 372 HB3 ALA 47 HB3 ALA 47 -15.287 4.253 0.730 373 H ASP 48 H ASP 48 -15.677 4.526 -2.002 374 HA ASP 48 HA ASP 48 -18.299 3.311 -2.038 375 HB2 ASP 48 HB2 ASP 48 -18.085 5.679 -2.372 376 HB3 ASP 48 HB3 ASP 48 -17.075 5.460 -3.796 377 H LYS 49 H LYS 49 -15.412 3.068 -4.073 378 HA LYS 49 HA LYS 49 -16.536 1.836 -6.316 379 HB2 LYS 49 HB2 LYS 49 -14.194 2.792 -5.753 380 HB3 LYS 49 HB3 LYS 49 -13.786 1.167 -5.227 381 HG2 LYS 49 HG2 LYS 49 -14.166 0.330 -7.502 382 HG3 LYS 49 HG3 LYS 49 -14.848 1.908 -7.970 383 HD2 LYS 49 HD2 LYS 49 -12.742 3.026 -7.698 384 HD3 LYS 49 HD3 LYS 49 -11.988 1.608 -6.947 385 HE2 LYS 49 HE2 LYS 49 -11.915 0.401 -8.974 386 HE3 LYS 49 HE3 LYS 49 -13.088 1.473 -9.767 387 HZ1 LYS 49 HZ1 LYS 49 -10.704 1.784 -10.392 388 HZ2 LYS 49 HZ2 LYS 49 -10.429 2.463 -8.923 389 HZ3 LYS 49 HZ3 LYS 49 -11.508 3.149 -9.953 390 H ASP 50 H ASP 50 -16.223 0.433 -3.120 391 HA ASP 50 HA ASP 50 -17.502 -1.956 -3.998 392 HB2 ASP 50 HB2 ASP 50 -14.701 -2.118 -4.292 393 HB3 ASP 50 HB3 ASP 50 -15.006 -3.003 -2.834 394 H ARG 51 H ARG 51 -18.953 -1.353 -2.390 395 HA ARG 51 HA ARG 51 -18.452 -0.564 0.231 396 HB2 ARG 51 HB2 ARG 51 -20.723 -2.400 -0.692 397 HB3 ARG 51 HB3 ARG 51 -20.685 -1.425 0.785 398 HG2 ARG 51 HG2 ARG 51 -20.413 0.604 -0.732 399 HG3 ARG 51 HG3 ARG 51 -20.874 -0.458 -2.086 400 HD2 ARG 51 HD2 ARG 51 -23.005 -0.972 -1.006 401 HD3 ARG 51 HD3 ARG 51 -22.482 -0.109 0.454 402 HE ARG 51 HE ARG 51 -22.447 1.576 -1.885 403 HH11 ARG 51 HH11 ARG 51 -24.546 0.295 0.720 404 HH12 ARG 51 HH12 ARG 51 -25.562 1.703 0.743 405 HH21 ARG 51 HH21 ARG 51 -23.837 3.445 -1.813 406 HH22 ARG 51 HH22 ARG 51 -25.219 3.426 -0.749 407 H THR 52 H THR 52 -18.533 -3.941 -0.834 408 HA THR 52 HA THR 52 -17.711 -4.584 1.947 409 HB THR 52 HB THR 52 -19.095 -6.492 0.051 410 HG1 THR 52 HG1 THR 52 -20.634 -5.170 1.953 411 HG21 THR 52 HG21 THR 52 -19.908 -7.348 2.250 412 HG22 THR 52 HG22 THR 52 -18.927 -6.086 3.055 413 HG23 THR 52 HG23 THR 52 -18.136 -7.367 2.120 414 H GLY 53 H GLY 53 -16.386 -4.120 -1.037 415 HA2 GLY 53 HA2 GLY 53 -14.413 -6.321 -0.846 416 HA3 GLY 53 HA3 GLY 53 -14.634 -5.216 -2.197 417 H ILE 54 H ILE 54 -14.691 -2.777 -0.361 418 HA ILE 54 HA ILE 54 -11.999 -2.076 -0.444 419 HB ILE 54 HB ILE 54 -13.896 -0.499 -0.278 420 HG12 ILE 54 HG12 ILE 54 -12.898 1.114 1.357 421 HG13 ILE 54 HG13 ILE 54 -11.880 -0.158 2.003 422 HG21 ILE 54 HG21 ILE 54 -15.043 0.034 1.752 423 HG22 ILE 54 HG22 ILE 54 -15.266 -1.686 1.447 424 HG23 ILE 54 HG23 ILE 54 -14.106 -1.141 2.682 425 HD11 ILE 54 HD11 ILE 54 -11.767 0.771 -0.889 426 HD12 ILE 54 HD12 ILE 54 -10.726 1.375 0.415 427 HD13 ILE 54 HD13 ILE 54 -10.633 -0.326 -0.067 428 H GLN 55 H GLN 55 -13.797 -3.624 2.197 429 HA GLN 55 HA GLN 55 -11.857 -3.427 4.192 430 HB2 GLN 55 HB2 GLN 55 -14.366 -4.490 4.042 431 HB3 GLN 55 HB3 GLN 55 -13.469 -5.978 3.969 432 HG2 GLN 55 HG2 GLN 55 -13.982 -4.195 6.243 433 HG3 GLN 55 HG3 GLN 55 -13.654 -5.926 6.193 434 HE21 GLN 55 HE21 GLN 55 -11.206 -6.542 5.815 435 HE22 GLN 55 HE22 GLN 55 -10.135 -5.573 6.764 436 H ARG 56 H ARG 56 -12.463 -6.148 1.984 437 HA ARG 56 HA ARG 56 -10.272 -7.774 2.601 438 HB2 ARG 56 HB2 ARG 56 -11.860 -7.385 0.030 439 HB3 ARG 56 HB3 ARG 56 -10.490 -8.487 0.097 440 HG2 ARG 56 HG2 ARG 56 -12.679 -9.602 0.436 441 HG3 ARG 56 HG3 ARG 56 -11.483 -9.875 1.692 442 HD2 ARG 56 HD2 ARG 56 -12.645 -8.489 3.273 443 HD3 ARG 56 HD3 ARG 56 -13.619 -7.742 1.995 444 HE ARG 56 HE ARG 56 -15.192 -9.252 2.473 445 HH11 ARG 56 HH11 ARG 56 -12.124 -10.969 3.106 446 HH12 ARG 56 HH12 ARG 56 -12.910 -12.508 3.237 447 HH21 ARG 56 HH21 ARG 56 -16.151 -11.240 2.623 448 HH22 ARG 56 HH22 ARG 56 -15.194 -12.695 2.755 449 H ARG 57 H ARG 57 -10.426 -5.042 0.299 450 HA ARG 57 HA ARG 57 -7.786 -5.365 -0.734 451 HB2 ARG 57 HB2 ARG 57 -9.462 -2.833 -0.398 452 HB3 ARG 57 HB3 ARG 57 -7.951 -2.940 -1.291 453 HG2 ARG 57 HG2 ARG 57 -8.952 -4.672 -2.789 454 HG3 ARG 57 HG3 ARG 57 -10.482 -4.521 -1.961 455 HD2 ARG 57 HD2 ARG 57 -10.957 -2.436 -2.824 456 HD3 ARG 57 HD3 ARG 57 -9.255 -1.998 -3.008 457 HE ARG 57 HE ARG 57 -10.051 -4.179 -4.736 458 HH11 ARG 57 HH11 ARG 57 -10.180 -0.633 -4.568 459 HH12 ARG 57 HH12 ARG 57 -9.703 -0.439 -6.250 460 HH21 ARG 57 HH21 ARG 57 -9.810 -3.883 -6.955 461 HH22 ARG 57 HH22 ARG 57 -9.659 -2.275 -7.635 462 H MET 58 H MET 58 -8.979 -3.499 2.125 463 HA MET 58 HA MET 58 -6.387 -2.677 2.944 464 HB2 MET 58 HB2 MET 58 -9.020 -2.955 4.504 465 HB3 MET 58 HB3 MET 58 -7.510 -2.423 5.251 466 HG2 MET 58 HG2 MET 58 -7.297 -0.718 3.460 467 HG3 MET 58 HG3 MET 58 -8.958 -1.081 2.959 468 HE1 MET 58 HE1 MET 58 -10.464 0.928 3.449 469 HE2 MET 58 HE2 MET 58 -11.079 -0.459 4.393 470 HE3 MET 58 HE3 MET 58 -11.006 1.165 5.124 471 H ASP 59 H ASP 59 -8.363 -5.549 3.925 472 HA ASP 59 HA ASP 59 -6.792 -6.622 5.981 473 HB2 ASP 59 HB2 ASP 59 -8.213 -8.057 3.707 474 HB3 ASP 59 HB3 ASP 59 -7.432 -8.920 5.005 475 H ILE 60 H ILE 60 -6.518 -7.147 2.476 476 HA ILE 60 HA ILE 60 -4.231 -8.880 2.590 477 HB ILE 60 HB ILE 60 -5.589 -7.288 0.384 478 HG12 ILE 60 HG12 ILE 60 -5.625 -10.306 0.800 479 HG13 ILE 60 HG13 ILE 60 -6.801 -9.261 1.585 480 HG21 ILE 60 HG21 ILE 60 -3.234 -7.710 -0.290 481 HG22 ILE 60 HG22 ILE 60 -3.442 -9.434 0.076 482 HG23 ILE 60 HG23 ILE 60 -4.362 -8.673 -1.238 483 HD11 ILE 60 HD11 ILE 60 -7.792 -10.123 -0.417 484 HD12 ILE 60 HD12 ILE 60 -7.532 -8.383 -0.630 485 HD13 ILE 60 HD13 ILE 60 -6.441 -9.538 -1.399 486 H ALA 61 H ALA 61 -4.620 -5.326 2.065 487 HA ALA 61 HA ALA 61 -1.844 -4.881 1.546 488 HB1 ALA 61 HB1 ALA 61 -2.359 -2.530 2.022 489 HB2 ALA 61 HB2 ALA 61 -3.627 -3.242 1.005 490 HB3 ALA 61 HB3 ALA 61 -3.915 -2.981 2.742 491 H LEU 62 H LEU 62 -3.779 -4.871 4.572 492 HA LEU 62 HA LEU 62 -1.688 -4.036 6.335 493 HB2 LEU 62 HB2 LEU 62 -4.294 -5.549 6.700 494 HB3 LEU 62 HB3 LEU 62 -3.218 -5.260 8.059 495 HG LEU 62 HG LEU 62 -4.463 -3.057 6.351 496 HD11 LEU 62 HD11 LEU 62 -5.142 -4.014 9.166 497 HD12 LEU 62 HD12 LEU 62 -6.113 -4.325 7.714 498 HD13 LEU 62 HD13 LEU 62 -5.912 -2.671 8.297 499 HD21 LEU 62 HD21 LEU 62 -3.674 -1.656 8.375 500 HD22 LEU 62 HD22 LEU 62 -2.431 -2.189 7.248 501 HD23 LEU 62 HD23 LEU 62 -2.656 -3.044 8.786 502 H LEU 63 H LEU 63 -2.388 -7.174 4.896 503 HA LEU 63 HA LEU 63 -0.803 -8.611 6.874 504 HB2 LEU 63 HB2 LEU 63 -2.070 -9.200 4.156 505 HB3 LEU 63 HB3 LEU 63 -0.878 -10.326 4.746 506 HG LEU 63 HG LEU 63 -3.267 -9.524 6.448 507 HD11 LEU 63 HD11 LEU 63 -3.069 -11.814 4.449 508 HD12 LEU 63 HD12 LEU 63 -4.133 -10.392 4.336 509 HD13 LEU 63 HD13 LEU 63 -4.384 -11.571 5.630 510 HD21 LEU 63 HD21 LEU 63 -2.808 -11.733 7.510 511 HD22 LEU 63 HD22 LEU 63 -1.436 -10.631 7.653 512 HD23 LEU 63 HD23 LEU 63 -1.395 -11.934 6.455 513 H GLN 64 H GLN 64 0.030 -6.400 4.471 514 HA GLN 64 HA GLN 64 2.552 -7.721 3.854 515 HB2 GLN 64 HB2 GLN 64 1.698 -5.021 2.801 516 HB3 GLN 64 HB3 GLN 64 2.947 -6.139 2.249 517 HG2 GLN 64 HG2 GLN 64 0.911 -7.823 2.067 518 HG3 GLN 64 HG3 GLN 64 -0.027 -6.341 1.948 519 HE21 GLN 64 HE21 GLN 64 -0.348 -7.954 0.068 520 HE22 GLN 64 HE22 GLN 64 0.546 -7.535 -1.423 521 H HIS 65 H HIS 65 1.712 -6.337 6.677 522 HA HIS 65 HA HIS 65 3.775 -4.359 7.028 523 HB2 HIS 65 HB2 HIS 65 1.594 -4.438 8.254 524 HB3 HIS 65 HB3 HIS 65 2.069 -5.959 8.987 525 HD2 HIS 65 HD2 HIS 65 2.215 -5.171 11.473 526 HE1 HIS 65 HE1 HIS 65 4.966 -1.959 11.027 527 HE2 HIS 65 HE2 HIS 65 3.648 -3.333 12.700 528 H GLY 66 H GLY 66 5.865 -4.980 7.197 529 HA2 GLY 66 HA2 GLY 66 7.627 -6.085 8.265 530 HA3 GLY 66 HA3 GLY 66 6.576 -7.398 8.765 531 H THR 67 H THR 67 6.127 -6.811 5.374 532 HA THR 67 HA THR 67 7.373 -9.325 4.697 533 HB THR 67 HB THR 67 6.828 -8.524 2.336 534 HG1 THR 67 HG1 THR 67 5.701 -6.602 2.105 535 HG21 THR 67 HG21 THR 67 4.377 -8.684 2.589 536 HG22 THR 67 HG22 THR 67 4.544 -8.411 4.343 537 HG23 THR 67 HG23 THR 67 5.199 -9.878 3.613 538 H LEU 68 H LEU 68 9.280 -9.623 3.503 539 HA LEU 68 HA LEU 68 11.224 -7.375 3.710 540 HB2 LEU 68 HB2 LEU 68 11.587 -10.290 2.979 541 HB3 LEU 68 HB3 LEU 68 12.879 -9.092 3.072 542 HG LEU 68 HG LEU 68 11.218 -10.179 5.388 543 HD11 LEU 68 HD11 LEU 68 13.378 -10.990 6.213 544 HD12 LEU 68 HD12 LEU 68 14.190 -10.355 4.760 545 HD13 LEU 68 HD13 LEU 68 13.016 -11.686 4.611 546 HD21 LEU 68 HD21 LEU 68 12.806 -8.826 6.811 547 HD22 LEU 68 HD22 LEU 68 11.644 -7.894 5.867 548 HD23 LEU 68 HD23 LEU 68 13.343 -7.995 5.332 549 H LEU 69 H LEU 69 11.011 -6.070 1.992 550 HA LEU 69 HA LEU 69 10.443 -7.250 -0.705 551 HB2 LEU 69 HB2 LEU 69 9.127 -5.154 0.629 552 HB3 LEU 69 HB3 LEU 69 10.217 -4.305 -0.468 553 HG LEU 69 HG LEU 69 8.303 -6.541 -1.284 554 HD11 LEU 69 HD11 LEU 69 7.959 -3.521 -1.534 555 HD12 LEU 69 HD12 LEU 69 6.997 -4.644 -0.539 556 HD13 LEU 69 HD13 LEU 69 6.912 -4.748 -2.294 557 HD21 LEU 69 HD21 LEU 69 9.723 -4.505 -3.049 558 HD22 LEU 69 HD22 LEU 69 8.672 -5.842 -3.568 559 HD23 LEU 69 HD23 LEU 69 10.244 -6.196 -2.842 560 H LYS 70 H LYS 70 12.323 -7.503 -1.806 561 HA LYS 70 HA LYS 70 14.559 -7.414 -2.273 562 HB2 LYS 70 HB2 LYS 70 13.994 -4.477 -2.266 563 HB3 LYS 70 HB3 LYS 70 15.445 -5.218 -2.929 564 HG2 LYS 70 HG2 LYS 70 14.424 -5.605 -4.882 565 HG3 LYS 70 HG3 LYS 70 13.298 -6.688 -4.077 566 HD2 LYS 70 HD2 LYS 70 11.823 -5.209 -5.036 567 HD3 LYS 70 HD3 LYS 70 12.008 -4.486 -3.446 568 HE2 LYS 70 HE2 LYS 70 12.165 -2.739 -5.059 569 HE3 LYS 70 HE3 LYS 70 13.795 -2.972 -4.383 570 HZ1 LYS 70 HZ1 LYS 70 12.887 -4.110 -6.973 571 HZ2 LYS 70 HZ2 LYS 70 14.414 -4.076 -6.423 572 HZ3 LYS 70 HZ3 LYS 70 13.696 -2.682 -6.833 573 H GLU 71 H GLU 71 14.456 -8.182 -0.048 574 HA GLU 71 HA GLU 71 15.474 -8.599 1.953 575 HB2 GLU 71 HB2 GLU 71 17.651 -6.753 0.909 576 HB3 GLU 71 HB3 GLU 71 17.830 -8.014 2.117 577 HG2 GLU 71 HG2 GLU 71 17.380 -9.755 0.480 578 HG3 GLU 71 HG3 GLU 71 16.995 -8.566 -0.777 579 H LYS 72 H LYS 72 13.928 -5.793 1.670 580 HA LYS 72 HA LYS 72 14.896 -4.717 4.274 581 HB2 LYS 72 HB2 LYS 72 14.107 -3.433 1.687 582 HB3 LYS 72 HB3 LYS 72 13.533 -2.633 3.149 583 HG2 LYS 72 HG2 LYS 72 16.440 -3.485 2.872 584 HG3 LYS 72 HG3 LYS 72 15.875 -1.958 2.198 585 HD2 LYS 72 HD2 LYS 72 15.258 -2.620 5.095 586 HD3 LYS 72 HD3 LYS 72 16.846 -1.996 4.624 587 HE2 LYS 72 HE2 LYS 72 16.076 0.046 3.949 588 HE3 LYS 72 HE3 LYS 72 14.465 -0.546 3.546 589 HZ1 LYS 72 HZ1 LYS 72 14.644 0.891 5.550 590 HZ2 LYS 72 HZ2 LYS 72 15.388 -0.318 6.343 591 HZ3 LYS 72 HZ3 LYS 72 13.826 -0.486 5.778 592 H LYS 73 H LYS 73 13.632 -4.998 5.926 593 HA LYS 73 HA LYS 73 10.914 -5.954 5.650 594 HB2 LYS 73 HB2 LYS 73 12.655 -6.411 7.554 595 HB3 LYS 73 HB3 LYS 73 12.283 -4.792 8.111 596 HG2 LYS 73 HG2 LYS 73 10.534 -5.557 9.239 597 HG3 LYS 73 HG3 LYS 73 9.762 -6.071 7.748 598 HD2 LYS 73 HD2 LYS 73 10.693 -8.298 7.905 599 HD3 LYS 73 HD3 LYS 73 11.800 -7.840 9.193 600 HE2 LYS 73 HE2 LYS 73 8.773 -7.625 9.484 601 HE3 LYS 73 HE3 LYS 73 9.654 -9.109 9.856 602 HZ1 LYS 73 HZ1 LYS 73 10.862 -8.012 11.521 603 HZ2 LYS 73 HZ2 LYS 73 9.263 -7.687 11.767 604 HZ3 LYS 73 HZ3 LYS 73 10.280 -6.527 11.148 605 H ILE 74 H ILE 74 9.238 -4.621 5.087 606 HA ILE 74 HA ILE 74 9.495 -1.761 5.802 607 HB ILE 74 HB ILE 74 8.064 -1.190 4.041 608 HG12 ILE 74 HG12 ILE 74 7.966 -4.099 3.264 609 HG13 ILE 74 HG13 ILE 74 6.640 -2.990 3.701 610 HG21 ILE 74 HG21 ILE 74 9.682 -1.450 2.284 611 HG22 ILE 74 HG22 ILE 74 10.602 -1.511 3.800 612 HG23 ILE 74 HG23 ILE 74 10.245 -2.999 2.920 613 HD11 ILE 74 HD11 ILE 74 6.582 -3.439 1.381 614 HD12 ILE 74 HD12 ILE 74 6.996 -1.727 1.643 615 HD13 ILE 74 HD13 ILE 74 8.254 -2.902 1.156 616 H ASN 75 H ASN 75 7.205 -0.692 6.043 617 HA ASN 75 HA ASN 75 5.705 -2.296 8.086 618 HB2 ASN 75 HB2 ASN 75 5.375 -0.109 9.265 619 HB3 ASN 75 HB3 ASN 75 7.063 -0.630 9.327 620 HD21 ASN 75 HD21 ASN 75 4.762 1.548 7.563 621 HD22 ASN 75 HD22 ASN 75 5.950 2.796 7.264 622 H VAL 76 H VAL 76 3.427 -1.875 8.197 623 HA VAL 76 HA VAL 76 2.346 -0.083 6.113 624 HB VAL 76 HB VAL 76 1.597 -2.983 6.657 625 HG11 VAL 76 HG11 VAL 76 -0.077 -2.604 4.808 626 HG12 VAL 76 HG12 VAL 76 -0.442 -1.639 6.234 627 HG13 VAL 76 HG13 VAL 76 0.354 -0.892 4.829 628 HG21 VAL 76 HG21 VAL 76 2.583 -1.707 4.102 629 HG22 VAL 76 HG22 VAL 76 3.553 -2.772 5.153 630 HG23 VAL 76 HG23 VAL 76 2.109 -3.389 4.327 631 H GLU 77 H GLU 77 0.567 1.133 6.911 632 HA GLU 77 HA GLU 77 -0.934 0.212 9.212 633 HB2 GLU 77 HB2 GLU 77 -0.609 2.509 10.338 634 HB3 GLU 77 HB3 GLU 77 0.503 1.172 10.646 635 HG2 GLU 77 HG2 GLU 77 2.072 2.302 8.938 636 HG3 GLU 77 HG3 GLU 77 0.977 3.688 9.046 637 H LEU 78 H LEU 78 -2.902 1.423 9.566 638 HA LEU 78 HA LEU 78 -4.022 2.399 7.098 639 HB2 LEU 78 HB2 LEU 78 -4.919 1.317 9.600 640 HB3 LEU 78 HB3 LEU 78 -5.633 2.893 9.507 641 HG LEU 78 HG LEU 78 -7.104 1.237 8.674 642 HD11 LEU 78 HD11 LEU 78 -7.784 2.238 6.600 643 HD12 LEU 78 HD12 LEU 78 -6.139 2.765 6.219 644 HD13 LEU 78 HD13 LEU 78 -7.032 3.528 7.548 645 HD21 LEU 78 HD21 LEU 78 -5.002 0.504 6.588 646 HD22 LEU 78 HD22 LEU 78 -6.638 -0.188 6.744 647 HD23 LEU 78 HD23 LEU 78 -5.454 -0.426 8.024 648 H THR 79 H THR 79 -4.695 4.389 6.622 649 HA THR 79 HA THR 79 -4.313 6.627 8.508 650 HB THR 79 HB THR 79 -3.266 7.942 6.659 651 HG1 THR 79 HG1 THR 79 -3.502 5.554 5.394 652 HG21 THR 79 HG21 THR 79 -2.067 6.963 8.654 653 HG22 THR 79 HG22 THR 79 -1.051 7.246 7.246 654 HG23 THR 79 HG23 THR 79 -1.579 5.596 7.640 655 H VAL 80 H VAL 80 -5.597 8.277 8.230 656 HA VAL 80 HA VAL 80 -7.472 9.402 7.896 657 HB VAL 80 HB VAL 80 -7.029 8.747 4.973 658 HG11 VAL 80 HG11 VAL 80 -8.257 10.910 4.662 659 HG12 VAL 80 HG12 VAL 80 -9.254 9.656 5.428 660 HG13 VAL 80 HG13 VAL 80 -8.567 10.940 6.425 661 HG21 VAL 80 HG21 VAL 80 -4.995 9.760 5.951 662 HG22 VAL 80 HG22 VAL 80 -5.833 10.925 4.936 663 HG23 VAL 80 HG23 VAL 80 -5.974 11.044 6.701 664 H GLY 81 H GLY 81 -8.775 8.081 9.110 665 HA2 GLY 81 HA2 GLY 81 -11.251 7.505 8.408 666 HA3 GLY 81 HA3 GLY 81 -10.448 6.109 7.688 667 H GLY 82 H GLY 82 -8.493 6.529 10.208 668 HA2 GLY 82 HA2 GLY 82 -8.960 6.190 12.635 669 HA3 GLY 82 HA3 GLY 82 -10.216 5.035 12.174 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -12.400 11.346 2.268 2 HA2 GLY 1 HA2 GLY 1 -15.124 11.670 1.152 3 HA3 GLY 1 HA3 GLY 1 -13.650 11.483 0.174 4 H ASN 2 H ASN 2 -15.019 9.686 -0.723 5 HA ASN 2 HA ASN 2 -15.414 7.311 0.889 6 HB2 ASN 2 HB2 ASN 2 -16.201 6.266 -1.191 7 HB3 ASN 2 HB3 ASN 2 -17.058 7.730 -0.746 8 HD21 ASN 2 HD21 ASN 2 -14.265 6.722 -2.816 9 HD22 ASN 2 HD22 ASN 2 -14.580 7.859 -4.114 10 H ARG 3 H ARG 3 -12.700 7.906 1.112 11 HA ARG 3 HA ARG 3 -11.618 5.420 0.157 12 HB2 ARG 3 HB2 ARG 3 -9.660 6.307 -0.966 13 HB3 ARG 3 HB3 ARG 3 -11.129 6.576 -1.891 14 HG2 ARG 3 HG2 ARG 3 -11.037 8.904 -1.594 15 HG3 ARG 3 HG3 ARG 3 -9.984 8.796 -0.163 16 HD2 ARG 3 HD2 ARG 3 -8.126 8.010 -1.439 17 HD3 ARG 3 HD3 ARG 3 -9.102 7.845 -2.904 18 HE ARG 3 HE ARG 3 -8.283 10.374 -1.545 19 HH11 ARG 3 HH11 ARG 3 -9.261 8.720 -4.596 20 HH12 ARG 3 HH12 ARG 3 -9.245 10.186 -5.507 21 HH21 ARG 3 HH21 ARG 3 -7.740 12.100 -2.943 22 HH22 ARG 3 HH22 ARG 3 -7.905 11.888 -4.642 23 H PHE 4 H PHE 4 -9.827 4.800 1.195 24 HA PHE 4 HA PHE 4 -8.831 6.405 3.473 25 HB2 PHE 4 HB2 PHE 4 -9.006 3.384 3.134 26 HB3 PHE 4 HB3 PHE 4 -8.442 4.233 4.548 27 HD1 PHE 4 HD2 PHE 4 -11.530 3.391 2.579 28 HD2 PHE 4 HD1 PHE 4 -9.959 5.198 6.149 29 HE1 PHE 4 HE2 PHE 4 -13.823 3.638 3.452 30 HE2 PHE 4 HE1 PHE 4 -12.248 5.357 7.072 31 HZ PHE 4 HZ PHE 4 -14.206 4.631 5.687 32 H ILE 5 H ILE 5 -6.570 5.667 3.959 33 HA ILE 5 HA ILE 5 -5.075 5.025 1.455 34 HB ILE 5 HB ILE 5 -4.576 7.408 3.276 35 HG12 ILE 5 HG12 ILE 5 -5.219 7.644 0.323 36 HG13 ILE 5 HG13 ILE 5 -6.530 7.560 1.460 37 HG21 ILE 5 HG21 ILE 5 -3.051 6.433 0.815 38 HG22 ILE 5 HG22 ILE 5 -2.806 8.017 1.574 39 HG23 ILE 5 HG23 ILE 5 -2.443 6.553 2.480 40 HD11 ILE 5 HD11 ILE 5 -6.060 9.832 0.977 41 HD12 ILE 5 HD12 ILE 5 -5.797 9.451 2.685 42 HD13 ILE 5 HD13 ILE 5 -4.398 9.658 1.591 43 H VAL 6 H VAL 6 -3.362 3.744 1.762 44 HA VAL 6 HA VAL 6 -2.802 2.825 4.538 45 HB VAL 6 HB VAL 6 -2.021 1.639 1.829 46 HG11 VAL 6 HG11 VAL 6 -0.511 0.941 3.651 47 HG12 VAL 6 HG12 VAL 6 -1.900 0.463 4.646 48 HG13 VAL 6 HG13 VAL 6 -1.524 -0.409 3.141 49 HG21 VAL 6 HG21 VAL 6 -3.733 -0.104 2.336 50 HG22 VAL 6 HG22 VAL 6 -4.290 0.865 3.718 51 HG23 VAL 6 HG23 VAL 6 -4.452 1.491 2.061 52 H PHE 7 H PHE 7 -0.665 2.983 5.304 53 HA PHE 7 HA PHE 7 1.210 4.805 3.858 54 HB2 PHE 7 HB2 PHE 7 0.247 5.654 6.047 55 HB3 PHE 7 HB3 PHE 7 0.800 4.195 6.791 56 HD1 PHE 7 HD2 PHE 7 3.255 3.772 7.179 57 HD2 PHE 7 HD1 PHE 7 1.844 7.489 5.500 58 HE1 PHE 7 HE2 PHE 7 5.406 4.828 7.713 59 HE2 PHE 7 HE1 PHE 7 4.027 8.522 5.989 60 HZ PHE 7 HZ PHE 7 5.802 7.184 7.107 61 H VAL 8 H VAL 8 3.172 3.790 3.378 62 HA VAL 8 HA VAL 8 3.843 1.330 4.852 63 HB VAL 8 HB VAL 8 4.026 1.574 1.824 64 HG11 VAL 8 HG11 VAL 8 5.695 0.021 3.010 65 HG12 VAL 8 HG12 VAL 8 4.331 -0.912 3.563 66 HG13 VAL 8 HG13 VAL 8 4.627 -0.767 1.822 67 HG21 VAL 8 HG21 VAL 8 2.036 -0.062 3.462 68 HG22 VAL 8 HG22 VAL 8 1.632 1.326 2.487 69 HG23 VAL 8 HG23 VAL 8 2.230 -0.100 1.686 70 H GLY 9 H GLY 9 5.993 1.478 5.596 71 HA2 GLY 9 HA2 GLY 9 7.772 3.344 4.128 72 HA3 GLY 9 HA3 GLY 9 7.621 3.595 5.822 73 H SER 10 H SER 10 9.998 3.249 5.200 74 HA SER 10 HA SER 10 11.927 2.234 5.578 75 HB2 SER 10 HB2 SER 10 10.226 0.630 7.085 76 HB3 SER 10 HB3 SER 10 10.996 -0.521 6.000 77 HG SER 10 HG SER 10 12.211 -0.276 7.808 78 H LEU 11 H LEU 11 10.251 2.128 3.022 79 HA LEU 11 HA LEU 11 10.822 -0.159 1.523 80 HB2 LEU 11 HB2 LEU 11 10.263 2.714 0.747 81 HB3 LEU 11 HB3 LEU 11 10.616 1.498 -0.468 82 HG LEU 11 HG LEU 11 8.745 0.134 0.164 83 HD11 LEU 11 HD11 LEU 11 6.973 1.129 1.736 84 HD12 LEU 11 HD12 LEU 11 8.197 2.239 2.319 85 HD13 LEU 11 HD13 LEU 11 8.391 0.488 2.559 86 HD21 LEU 11 HD21 LEU 11 8.369 1.929 -1.435 87 HD22 LEU 11 HD22 LEU 11 7.997 3.073 -0.132 88 HD23 LEU 11 HD23 LEU 11 6.923 1.687 -0.471 89 HA PRO 12 HA PRO 12 15.153 0.070 0.679 90 HB2 PRO 12 HB2 PRO 12 15.163 -1.158 -1.884 91 HB3 PRO 12 HB3 PRO 12 15.218 -1.991 -0.333 92 HG2 PRO 12 HG2 PRO 12 12.923 -1.603 -2.180 93 HG3 PRO 12 HG3 PRO 12 13.217 -2.927 -1.015 94 HD2 PRO 12 HD2 PRO 12 11.424 -0.844 -0.629 95 HD3 PRO 12 HD3 PRO 12 12.152 -1.795 0.687 96 H ARG 13 H ARG 13 16.749 1.026 -0.777 97 HA ARG 13 HA ARG 13 15.824 3.457 -2.054 98 HB2 ARG 13 HB2 ARG 13 18.487 2.001 -1.876 99 HB3 ARG 13 HB3 ARG 13 18.300 3.310 -3.043 100 HG2 ARG 13 HG2 ARG 13 17.568 3.713 -0.122 101 HG3 ARG 13 HG3 ARG 13 19.226 3.915 -0.712 102 HD2 ARG 13 HD2 ARG 13 18.692 5.713 -2.122 103 HD3 ARG 13 HD3 ARG 13 16.967 5.324 -2.130 104 HE ARG 13 HE ARG 13 18.108 6.124 0.462 105 HH11 ARG 13 HH11 ARG 13 16.756 7.374 -2.522 106 HH12 ARG 13 HH12 ARG 13 15.834 8.665 -1.808 107 HH21 ARG 13 HH21 ARG 13 17.074 7.841 1.456 108 HH22 ARG 13 HH22 ARG 13 16.132 9.020 0.597 109 H ASP 14 H ASP 14 16.706 0.227 -3.277 110 HA ASP 14 HA ASP 14 16.297 1.008 -6.032 111 HB2 ASP 14 HB2 ASP 14 17.619 -1.112 -4.819 112 HB3 ASP 14 HB3 ASP 14 16.248 -1.861 -5.621 113 H ILE 15 H ILE 15 13.942 1.135 -3.962 114 HA ILE 15 HA ILE 15 12.032 -0.732 -4.985 115 HB ILE 15 HB ILE 15 11.884 0.379 -2.775 116 HG12 ILE 15 HG12 ILE 15 9.377 0.991 -3.043 117 HG13 ILE 15 HG13 ILE 15 9.596 0.528 -4.739 118 HG21 ILE 15 HG21 ILE 15 12.554 2.699 -3.687 119 HG22 ILE 15 HG22 ILE 15 10.890 2.809 -4.256 120 HG23 ILE 15 HG23 ILE 15 11.248 2.636 -2.511 121 HD11 ILE 15 HD11 ILE 15 8.661 -1.264 -3.491 122 HD12 ILE 15 HD12 ILE 15 10.285 -1.722 -4.036 123 HD13 ILE 15 HD13 ILE 15 10.010 -1.246 -2.335 124 H THR 16 H THR 16 10.652 -0.676 -6.698 125 HA THR 16 HA THR 16 10.391 1.722 -8.352 126 HB THR 16 HB THR 16 10.497 0.024 -10.309 127 HG1 THR 16 HG1 THR 16 12.618 -1.191 -9.114 128 HG21 THR 16 HG21 THR 16 12.846 0.564 -10.639 129 HG22 THR 16 HG22 THR 16 13.064 0.901 -8.906 130 HG23 THR 16 HG23 THR 16 12.048 1.955 -9.893 131 H ALA 17 H ALA 17 8.386 1.891 -9.435 132 HA ALA 17 HA ALA 17 6.231 1.144 -7.751 133 HB1 ALA 17 HB1 ALA 17 4.772 2.003 -9.506 134 HB2 ALA 17 HB2 ALA 17 6.164 3.076 -9.284 135 HB3 ALA 17 HB3 ALA 17 6.097 1.959 -10.677 136 H VAL 18 H VAL 18 7.723 -0.615 -10.372 137 HA VAL 18 HA VAL 18 5.501 -2.388 -10.917 138 HB VAL 18 HB VAL 18 7.179 -2.274 -12.555 139 HG11 VAL 18 HG11 VAL 18 9.105 -1.427 -11.344 140 HG12 VAL 18 HG12 VAL 18 9.314 -2.996 -10.519 141 HG13 VAL 18 HG13 VAL 18 9.544 -2.850 -12.264 142 HG21 VAL 18 HG21 VAL 18 6.353 -4.569 -12.324 143 HG22 VAL 18 HG22 VAL 18 8.035 -4.577 -12.836 144 HG23 VAL 18 HG23 VAL 18 7.634 -4.953 -11.148 145 H GLU 19 H GLU 19 8.121 -2.364 -8.500 146 HA GLU 19 HA GLU 19 7.578 -4.974 -7.439 147 HB2 GLU 19 HB2 GLU 19 8.872 -2.570 -6.083 148 HB3 GLU 19 HB3 GLU 19 9.015 -4.241 -5.591 149 HG2 GLU 19 HG2 GLU 19 9.980 -3.268 -8.327 150 HG3 GLU 19 HG3 GLU 19 10.954 -3.161 -6.890 151 H LEU 20 H LEU 20 6.561 -1.643 -6.614 152 HA LEU 20 HA LEU 20 5.036 -2.338 -4.287 153 HB2 LEU 20 HB2 LEU 20 4.739 -0.027 -6.262 154 HB3 LEU 20 HB3 LEU 20 3.811 -0.170 -4.779 155 HG LEU 20 HG LEU 20 6.831 0.106 -4.987 156 HD11 LEU 20 HD11 LEU 20 6.439 2.308 -3.964 157 HD12 LEU 20 HD12 LEU 20 4.689 2.025 -3.975 158 HD13 LEU 20 HD13 LEU 20 5.572 2.164 -5.509 159 HD21 LEU 20 HD21 LEU 20 6.285 -1.210 -2.969 160 HD22 LEU 20 HD22 LEU 20 5.043 -0.033 -2.506 161 HD23 LEU 20 HD23 LEU 20 6.761 0.410 -2.507 162 H GLN 21 H GLN 21 4.039 -2.002 -7.796 163 HA GLN 21 HA GLN 21 1.356 -2.594 -7.381 164 HB2 GLN 21 HB2 GLN 21 2.154 -1.538 -9.375 165 HB3 GLN 21 HB3 GLN 21 3.364 -2.789 -9.652 166 HG2 GLN 21 HG2 GLN 21 1.602 -2.998 -11.219 167 HG3 GLN 21 HG3 GLN 21 1.695 -4.413 -10.178 168 HE21 GLN 21 HE21 GLN 21 -0.612 -4.702 -11.153 169 HE22 GLN 21 HE22 GLN 21 -1.925 -3.941 -10.262 170 H ASN 22 H ASN 22 4.243 -4.715 -7.776 171 HA ASN 22 HA ASN 22 2.729 -7.184 -8.000 172 HB2 ASN 22 HB2 ASN 22 4.995 -7.222 -8.802 173 HB3 ASN 22 HB3 ASN 22 5.608 -6.392 -7.391 174 HD21 ASN 22 HD21 ASN 22 6.915 -7.682 -6.260 175 HD22 ASN 22 HD22 ASN 22 6.578 -9.341 -5.797 176 H HIS 23 H HIS 23 4.220 -5.449 -5.214 177 HA HIS 23 HA HIS 23 3.579 -7.544 -3.365 178 HB2 HIS 23 HB2 HIS 23 5.205 -5.361 -3.286 179 HB3 HIS 23 HB3 HIS 23 3.848 -4.758 -2.328 180 HD2 HIS 23 HD2 HIS 23 3.257 -6.234 -0.075 181 HE1 HIS 23 HE1 HIS 23 6.642 -8.821 -0.260 182 HE2 HIS 23 HE2 HIS 23 4.672 -8.039 1.204 183 H PHE 24 H PHE 24 1.830 -4.631 -4.409 184 HA PHE 24 HA PHE 24 -0.397 -5.297 -2.566 185 HB2 PHE 24 HB2 PHE 24 0.253 -2.759 -4.054 186 HB3 PHE 24 HB3 PHE 24 -1.204 -3.032 -3.090 187 HD1 PHE 24 HD1 PHE 24 -0.991 -3.771 -0.663 188 HD2 PHE 24 HD2 PHE 24 2.287 -2.125 -2.912 189 HE1 PHE 24 HE1 PHE 24 0.235 -3.322 1.456 190 HE2 PHE 24 HE2 PHE 24 3.499 -1.643 -0.802 191 HZ PHE 24 HZ PHE 24 2.489 -2.296 1.381 192 H LYS 25 H LYS 25 0.407 -6.334 -5.553 193 HA LYS 25 HA LYS 25 -1.722 -5.854 -7.211 194 HB2 LYS 25 HB2 LYS 25 0.567 -7.425 -7.214 195 HB3 LYS 25 HB3 LYS 25 -0.639 -8.658 -7.204 196 HG2 LYS 25 HG2 LYS 25 -1.726 -7.455 -9.152 197 HG3 LYS 25 HG3 LYS 25 -0.354 -6.335 -9.151 198 HD2 LYS 25 HD2 LYS 25 1.185 -8.358 -9.346 199 HD3 LYS 25 HD3 LYS 25 -0.281 -9.324 -9.643 200 HE2 LYS 25 HE2 LYS 25 -0.783 -8.081 -11.650 201 HE3 LYS 25 HE3 LYS 25 0.447 -6.865 -11.264 202 HZ1 LYS 25 HZ1 LYS 25 1.184 -8.405 -12.949 203 HZ2 LYS 25 HZ2 LYS 25 1.064 -9.683 -11.924 204 HZ3 LYS 25 HZ3 LYS 25 2.145 -8.468 -11.626 205 H ASN 26 H ASN 26 -1.433 -8.315 -4.676 206 HA ASN 26 HA ASN 26 -3.872 -9.646 -5.067 207 HB2 ASN 26 HB2 ASN 26 -2.284 -9.197 -2.502 208 HB3 ASN 26 HB3 ASN 26 -3.569 -10.381 -2.684 209 HD21 ASN 26 HD21 ASN 26 -3.199 -12.242 -4.110 210 HD22 ASN 26 HD22 ASN 26 -1.585 -12.621 -4.701 211 H SER 27 H SER 27 -3.255 -6.542 -3.387 212 HA SER 27 HA SER 27 -6.024 -6.458 -2.371 213 HB2 SER 27 HB2 SER 27 -5.020 -4.315 -1.301 214 HB3 SER 27 HB3 SER 27 -4.632 -5.892 -0.667 215 HG SER 27 HG SER 27 -2.607 -5.802 -1.445 216 H SER 28 H SER 28 -4.031 -5.210 -4.921 217 HA SER 28 HA SER 28 -4.284 -3.958 -6.691 218 HB2 SER 28 HB2 SER 28 -5.909 -5.588 -7.248 219 HB3 SER 28 HB3 SER 28 -7.194 -4.681 -6.463 220 HG SER 28 HG SER 28 -6.892 -3.028 -7.980 221 HA PRO 29 HA PRO 29 -5.172 -0.132 -4.200 222 HB2 PRO 29 HB2 PRO 29 -2.919 1.241 -4.945 223 HB3 PRO 29 HB3 PRO 29 -2.943 0.026 -3.635 224 HG2 PRO 29 HG2 PRO 29 -2.204 -0.401 -6.560 225 HG3 PRO 29 HG3 PRO 29 -1.221 -0.865 -5.142 226 HD2 PRO 29 HD2 PRO 29 -2.743 -2.681 -6.295 227 HD3 PRO 29 HD3 PRO 29 -2.777 -2.561 -4.509 228 H ASP 30 H ASP 30 -5.431 2.163 -4.962 229 HA ASP 30 HA ASP 30 -6.478 2.197 -7.735 230 HB2 ASP 30 HB2 ASP 30 -7.823 2.902 -5.650 231 HB3 ASP 30 HB3 ASP 30 -6.769 4.315 -5.565 232 H GLN 31 H GLN 31 -4.245 3.785 -5.479 233 HA GLN 31 HA GLN 31 -2.854 5.102 -7.739 234 HB2 GLN 31 HB2 GLN 31 -4.268 6.712 -6.561 235 HB3 GLN 31 HB3 GLN 31 -3.492 6.232 -5.052 236 HG2 GLN 31 HG2 GLN 31 -1.309 7.107 -5.892 237 HG3 GLN 31 HG3 GLN 31 -2.106 7.609 -7.392 238 HE21 GLN 31 HE21 GLN 31 -3.980 9.244 -7.103 239 HE22 GLN 31 HE22 GLN 31 -3.770 10.386 -5.763 240 H ILE 32 H ILE 32 -0.566 5.335 -7.433 241 HA ILE 32 HA ILE 32 0.639 3.968 -5.128 242 HB ILE 32 HB ILE 32 1.298 3.323 -8.039 243 HG12 ILE 32 HG12 ILE 32 0.064 1.564 -5.871 244 HG13 ILE 32 HG13 ILE 32 -0.763 2.181 -7.306 245 HG21 ILE 32 HG21 ILE 32 3.004 1.820 -7.248 246 HG22 ILE 32 HG22 ILE 32 3.303 3.369 -6.475 247 HG23 ILE 32 HG23 ILE 32 2.528 2.064 -5.556 248 HD11 ILE 32 HD11 ILE 32 -0.236 -0.074 -7.761 249 HD12 ILE 32 HD12 ILE 32 0.847 0.917 -8.754 250 HD13 ILE 32 HD13 ILE 32 1.453 0.117 -7.276 251 H ARG 33 H ARG 33 1.736 5.718 -4.291 252 HA ARG 33 HA ARG 33 3.369 7.318 -6.155 253 HB2 ARG 33 HB2 ARG 33 1.243 8.400 -4.687 254 HB3 ARG 33 HB3 ARG 33 2.677 8.876 -3.792 255 HG2 ARG 33 HG2 ARG 33 2.196 9.365 -6.771 256 HG3 ARG 33 HG3 ARG 33 2.038 10.528 -5.466 257 HD2 ARG 33 HD2 ARG 33 4.056 11.078 -6.431 258 HD3 ARG 33 HD3 ARG 33 4.542 10.189 -4.985 259 HE ARG 33 HE ARG 33 4.445 8.340 -7.134 260 HH11 ARG 33 HH11 ARG 33 6.292 11.355 -6.636 261 HH12 ARG 33 HH12 ARG 33 7.658 10.751 -7.537 262 HH21 ARG 33 HH21 ARG 33 6.202 7.623 -8.240 263 HH22 ARG 33 HH22 ARG 33 7.598 8.620 -8.490 264 H LEU 34 H LEU 34 5.326 6.518 -5.832 265 HA LEU 34 HA LEU 34 6.207 5.590 -3.187 266 HB2 LEU 34 HB2 LEU 34 6.576 4.278 -5.228 267 HB3 LEU 34 HB3 LEU 34 7.499 5.566 -5.952 268 HG LEU 34 HG LEU 34 8.657 3.436 -4.811 269 HD11 LEU 34 HD11 LEU 34 9.604 6.336 -4.611 270 HD12 LEU 34 HD12 LEU 34 9.937 5.156 -5.886 271 HD13 LEU 34 HD13 LEU 34 10.650 4.952 -4.286 272 HD21 LEU 34 HD21 LEU 34 7.585 3.902 -2.567 273 HD22 LEU 34 HD22 LEU 34 8.719 5.263 -2.403 274 HD23 LEU 34 HD23 LEU 34 9.320 3.639 -2.581 275 H ARG 35 H ARG 35 7.365 6.898 -1.766 276 HA ARG 35 HA ARG 35 8.641 9.363 -2.802 277 HB2 ARG 35 HB2 ARG 35 7.111 8.781 -0.250 278 HB3 ARG 35 HB3 ARG 35 8.196 10.164 -0.419 279 HG2 ARG 35 HG2 ARG 35 5.732 9.626 -2.156 280 HG3 ARG 35 HG3 ARG 35 5.838 10.759 -0.802 281 HD2 ARG 35 HD2 ARG 35 7.754 11.893 -2.018 282 HD3 ARG 35 HD3 ARG 35 7.342 10.912 -3.443 283 HE ARG 35 HE ARG 35 4.951 12.092 -2.782 284 HH11 ARG 35 HH11 ARG 35 8.208 13.319 -3.630 285 HH12 ARG 35 HH12 ARG 35 7.598 14.929 -3.933 286 HH21 ARG 35 HH21 ARG 35 4.221 14.211 -3.407 287 HH22 ARG 35 HH22 ARG 35 5.405 15.387 -3.909 288 H ALA 36 H ALA 36 10.430 8.036 -3.328 289 HA ALA 36 HA ALA 36 11.834 6.344 -1.552 290 HB1 ALA 36 HB1 ALA 36 12.296 6.417 -3.977 291 HB2 ALA 36 HB2 ALA 36 12.906 8.077 -3.822 292 HB3 ALA 36 HB3 ALA 36 13.769 6.731 -3.057 293 H ASP 37 H ASP 37 11.679 9.811 -1.735 294 HA ASP 37 HA ASP 37 13.958 10.821 -0.606 295 HB2 ASP 37 HB2 ASP 37 11.017 11.540 -0.228 296 HB3 ASP 37 HB3 ASP 37 12.308 12.465 0.539 297 H LYS 38 H LYS 38 11.315 9.160 1.084 298 HA LYS 38 HA LYS 38 12.949 9.099 3.577 299 HB2 LYS 38 HB2 LYS 38 10.014 9.719 3.363 300 HB3 LYS 38 HB3 LYS 38 10.879 9.325 4.856 301 HG2 LYS 38 HG2 LYS 38 12.347 11.305 4.468 302 HG3 LYS 38 HG3 LYS 38 11.297 11.779 3.121 303 HD2 LYS 38 HD2 LYS 38 9.387 12.038 4.560 304 HD3 LYS 38 HD3 LYS 38 10.195 11.208 5.912 305 HE2 LYS 38 HE2 LYS 38 11.847 13.001 6.087 306 HE3 LYS 38 HE3 LYS 38 11.077 13.879 4.752 307 HZ1 LYS 38 HZ1 LYS 38 9.096 14.077 6.102 308 HZ2 LYS 38 HZ2 LYS 38 10.376 14.676 6.942 309 HZ3 LYS 38 HZ3 LYS 38 9.775 13.213 7.331 310 H GLY 39 H GLY 39 12.175 7.211 1.197 311 HA2 GLY 39 HA2 GLY 39 11.753 4.981 0.890 312 HA3 GLY 39 HA3 GLY 39 12.284 4.774 2.567 313 H ILE 40 H ILE 40 9.362 6.391 1.102 314 HA ILE 40 HA ILE 40 7.600 4.484 2.473 315 HB ILE 40 HB ILE 40 6.173 6.654 2.898 316 HG12 ILE 40 HG12 ILE 40 8.870 7.845 3.156 317 HG13 ILE 40 HG13 ILE 40 7.971 8.028 1.651 318 HG21 ILE 40 HG21 ILE 40 7.204 6.999 5.154 319 HG22 ILE 40 HG22 ILE 40 6.779 5.356 4.758 320 HG23 ILE 40 HG23 ILE 40 8.496 5.864 4.677 321 HD11 ILE 40 HD11 ILE 40 6.116 9.138 2.825 322 HD12 ILE 40 HD12 ILE 40 7.052 9.080 4.337 323 HD13 ILE 40 HD13 ILE 40 7.644 10.023 2.949 324 H ALA 41 H ALA 41 5.300 4.921 1.723 325 HA ALA 41 HA ALA 41 5.077 6.038 -0.976 326 HB1 ALA 41 HB1 ALA 41 4.300 3.954 -1.935 327 HB2 ALA 41 HB2 ALA 41 5.863 3.633 -1.223 328 HB3 ALA 41 HB3 ALA 41 4.393 3.115 -0.371 329 H PHE 42 H PHE 42 2.740 5.985 -1.653 330 HA PHE 42 HA PHE 42 0.825 5.830 0.627 331 HB2 PHE 42 HB2 PHE 42 0.996 8.012 -1.487 332 HB3 PHE 42 HB3 PHE 42 -0.338 7.781 -0.373 333 HD1 PHE 42 HD2 PHE 42 0.008 8.035 2.122 334 HD2 PHE 42 HD1 PHE 42 3.040 9.127 -0.750 335 HE1 PHE 42 HE2 PHE 42 1.141 9.418 3.840 336 HE2 PHE 42 HE1 PHE 42 4.177 10.491 0.989 337 HZ PHE 42 HZ PHE 42 3.194 10.699 3.262 338 H LEU 43 H LEU 43 -0.873 4.530 0.106 339 HA LEU 43 HA LEU 43 -1.450 3.903 -2.721 340 HB2 LEU 43 HB2 LEU 43 -1.084 1.926 -0.419 341 HB3 LEU 43 HB3 LEU 43 -1.954 1.589 -1.913 342 HG LEU 43 HG LEU 43 0.309 2.507 -3.019 343 HD11 LEU 43 HD11 LEU 43 1.249 1.261 -0.406 344 HD12 LEU 43 HD12 LEU 43 1.653 2.862 -1.047 345 HD13 LEU 43 HD13 LEU 43 2.279 1.411 -1.835 346 HD21 LEU 43 HD21 LEU 43 -0.160 -0.313 -2.012 347 HD22 LEU 43 HD22 LEU 43 1.005 0.133 -3.292 348 HD23 LEU 43 HD23 LEU 43 -0.714 0.419 -3.531 349 H GLU 44 H GLU 44 -3.351 4.813 -2.979 350 HA GLU 44 HA GLU 44 -5.319 4.979 -0.739 351 HB2 GLU 44 HB2 GLU 44 -5.645 6.266 -3.466 352 HB3 GLU 44 HB3 GLU 44 -6.331 6.723 -1.901 353 HG2 GLU 44 HG2 GLU 44 -3.808 7.249 -1.264 354 HG3 GLU 44 HG3 GLU 44 -3.538 7.220 -3.003 355 H PHE 45 H PHE 45 -7.500 4.121 -1.097 356 HA PHE 45 HA PHE 45 -7.848 2.431 -3.534 357 HB2 PHE 45 HB2 PHE 45 -8.312 1.599 -0.655 358 HB3 PHE 45 HB3 PHE 45 -8.875 0.724 -2.057 359 HD1 PHE 45 HD1 PHE 45 -5.557 2.053 -0.675 360 HD2 PHE 45 HD2 PHE 45 -7.726 -1.207 -2.497 361 HE1 PHE 45 HE1 PHE 45 -3.564 0.636 -0.506 362 HE2 PHE 45 HE2 PHE 45 -5.762 -2.634 -2.218 363 HZ PHE 45 HZ PHE 45 -3.628 -1.731 -1.300 364 H ASP 46 H ASP 46 -9.967 2.655 -4.353 365 HA ASP 46 HA ASP 46 -11.650 4.717 -3.138 366 HB2 ASP 46 HB2 ASP 46 -11.242 4.556 -5.566 367 HB3 ASP 46 HB3 ASP 46 -12.141 3.036 -5.601 368 H ALA 47 H ALA 47 -12.889 4.268 -1.460 369 HA ALA 47 HA ALA 47 -13.818 1.623 -0.792 370 HB1 ALA 47 HB1 ALA 47 -13.120 3.423 0.861 371 HB2 ALA 47 HB2 ALA 47 -14.629 4.277 0.458 372 HB3 ALA 47 HB3 ALA 47 -14.694 2.673 1.191 373 H ASP 48 H ASP 48 -15.208 4.238 -2.665 374 HA ASP 48 HA ASP 48 -17.980 3.372 -2.205 375 HB2 ASP 48 HB2 ASP 48 -17.718 5.685 -2.782 376 HB3 ASP 48 HB3 ASP 48 -16.725 5.302 -4.199 377 H LYS 49 H LYS 49 -15.291 2.654 -4.364 378 HA LYS 49 HA LYS 49 -16.643 1.433 -6.490 379 HB2 LYS 49 HB2 LYS 49 -14.115 1.984 -6.037 380 HB3 LYS 49 HB3 LYS 49 -14.037 0.348 -5.372 381 HG2 LYS 49 HG2 LYS 49 -14.905 -0.496 -7.603 382 HG3 LYS 49 HG3 LYS 49 -14.862 1.183 -8.167 383 HD2 LYS 49 HD2 LYS 49 -12.341 1.123 -7.418 384 HD3 LYS 49 HD3 LYS 49 -12.561 -0.627 -7.357 385 HE2 LYS 49 HE2 LYS 49 -11.739 -0.360 -9.505 386 HE3 LYS 49 HE3 LYS 49 -13.476 -0.324 -9.823 387 HZ1 LYS 49 HZ1 LYS 49 -12.330 1.450 -10.950 388 HZ2 LYS 49 HZ2 LYS 49 -11.653 1.999 -9.563 389 HZ3 LYS 49 HZ3 LYS 49 -13.266 2.158 -9.770 390 H ASP 50 H ASP 50 -16.064 0.157 -3.211 391 HA ASP 50 HA ASP 50 -17.936 -1.994 -3.722 392 HB2 ASP 50 HB2 ASP 50 -15.797 -2.921 -4.669 393 HB3 ASP 50 HB3 ASP 50 -15.068 -2.773 -3.071 394 H ARG 51 H ARG 51 -19.084 -0.949 -2.005 395 HA ARG 51 HA ARG 51 -17.946 -0.333 0.532 396 HB2 ARG 51 HB2 ARG 51 -20.811 -1.270 0.032 397 HB3 ARG 51 HB3 ARG 51 -20.191 -0.486 1.475 398 HG2 ARG 51 HG2 ARG 51 -19.580 1.491 -0.153 399 HG3 ARG 51 HG3 ARG 51 -20.782 0.732 -1.202 400 HD2 ARG 51 HD2 ARG 51 -21.182 1.703 1.648 401 HD3 ARG 51 HD3 ARG 51 -21.833 2.463 0.190 402 HE ARG 51 HE ARG 51 -22.901 -0.041 0.077 403 HH11 ARG 51 HH11 ARG 51 -22.843 2.307 2.800 404 HH12 ARG 51 HH12 ARG 51 -24.375 1.818 3.386 405 HH21 ARG 51 HH21 ARG 51 -24.825 -0.769 1.003 406 HH22 ARG 51 HH22 ARG 51 -25.606 0.123 2.257 407 H THR 52 H THR 52 -18.900 -3.545 -0.752 408 HA THR 52 HA THR 52 -18.765 -4.663 1.961 409 HB THR 52 HB THR 52 -19.665 -6.662 0.779 410 HG1 THR 52 HG1 THR 52 -20.138 -6.592 -1.309 411 HG21 THR 52 HG21 THR 52 -21.920 -5.787 0.511 412 HG22 THR 52 HG22 THR 52 -21.309 -4.138 0.296 413 HG23 THR 52 HG23 THR 52 -21.156 -4.943 1.869 414 H GLY 53 H GLY 53 -16.652 -4.201 -0.712 415 HA2 GLY 53 HA2 GLY 53 -14.840 -6.419 0.226 416 HA3 GLY 53 HA3 GLY 53 -14.946 -5.798 -1.396 417 H ILE 54 H ILE 54 -14.995 -2.884 0.110 418 HA ILE 54 HA ILE 54 -12.273 -2.402 -0.367 419 HB ILE 54 HB ILE 54 -13.940 -0.642 -0.371 420 HG12 ILE 54 HG12 ILE 54 -12.637 1.074 1.015 421 HG13 ILE 54 HG13 ILE 54 -11.660 -0.229 1.627 422 HG21 ILE 54 HG21 ILE 54 -14.856 0.349 1.648 423 HG22 ILE 54 HG22 ILE 54 -15.334 -1.342 1.553 424 HG23 ILE 54 HG23 ILE 54 -14.027 -0.845 2.662 425 HD11 ILE 54 HD11 ILE 54 -11.923 0.634 -1.281 426 HD12 ILE 54 HD12 ILE 54 -10.520 0.806 -0.227 427 HD13 ILE 54 HD13 ILE 54 -11.014 -0.789 -0.779 428 H GLN 55 H GLN 55 -13.938 -3.360 2.574 429 HA GLN 55 HA GLN 55 -11.849 -3.016 4.445 430 HB2 GLN 55 HB2 GLN 55 -14.161 -3.394 5.056 431 HB3 GLN 55 HB3 GLN 55 -14.169 -4.990 4.303 432 HG2 GLN 55 HG2 GLN 55 -12.306 -4.277 6.593 433 HG3 GLN 55 HG3 GLN 55 -13.969 -4.810 6.849 434 HE21 GLN 55 HE21 GLN 55 -10.753 -5.911 6.358 435 HE22 GLN 55 HE22 GLN 55 -11.154 -7.597 6.059 436 H ARG 56 H ARG 56 -12.783 -6.099 2.672 437 HA ARG 56 HA ARG 56 -10.579 -7.539 3.465 438 HB2 ARG 56 HB2 ARG 56 -12.748 -7.914 1.649 439 HB3 ARG 56 HB3 ARG 56 -11.301 -8.116 0.667 440 HG2 ARG 56 HG2 ARG 56 -11.553 -10.234 1.471 441 HG3 ARG 56 HG3 ARG 56 -10.435 -9.607 2.674 442 HD2 ARG 56 HD2 ARG 56 -12.046 -10.565 4.071 443 HD3 ARG 56 HD3 ARG 56 -12.699 -8.937 3.952 444 HE ARG 56 HE ARG 56 -14.466 -9.722 2.670 445 HH11 ARG 56 HH11 ARG 56 -12.034 -12.341 3.025 446 HH12 ARG 56 HH12 ARG 56 -13.006 -13.483 2.161 447 HH21 ARG 56 HH21 ARG 56 -15.707 -11.344 1.509 448 HH22 ARG 56 HH22 ARG 56 -15.010 -12.931 1.283 449 H ARG 57 H ARG 57 -10.809 -5.312 0.684 450 HA ARG 57 HA ARG 57 -8.261 -5.895 -0.456 451 HB2 ARG 57 HB2 ARG 57 -9.923 -3.353 -0.376 452 HB3 ARG 57 HB3 ARG 57 -8.446 -3.515 -1.334 453 HG2 ARG 57 HG2 ARG 57 -9.434 -5.200 -2.709 454 HG3 ARG 57 HG3 ARG 57 -10.858 -5.371 -1.656 455 HD2 ARG 57 HD2 ARG 57 -11.624 -3.145 -2.209 456 HD3 ARG 57 HD3 ARG 57 -10.099 -2.746 -2.995 457 HE ARG 57 HE ARG 57 -10.723 -3.790 -4.879 458 HH11 ARG 57 HH11 ARG 57 -12.963 -4.806 -2.368 459 HH12 ARG 57 HH12 ARG 57 -14.258 -5.251 -3.457 460 HH21 ARG 57 HH21 ARG 57 -12.215 -4.638 -6.325 461 HH22 ARG 57 HH22 ARG 57 -13.793 -5.209 -5.809 462 H MET 58 H MET 58 -9.202 -3.608 2.191 463 HA MET 58 HA MET 58 -6.571 -2.596 2.577 464 HB2 MET 58 HB2 MET 58 -9.211 -2.450 4.002 465 HB3 MET 58 HB3 MET 58 -7.820 -2.438 5.089 466 HG2 MET 58 HG2 MET 58 -6.801 -0.639 3.755 467 HG3 MET 58 HG3 MET 58 -8.260 -0.563 2.759 468 HE1 MET 58 HE1 MET 58 -10.751 -0.346 4.176 469 HE2 MET 58 HE2 MET 58 -10.789 1.340 4.779 470 HE3 MET 58 HE3 MET 58 -10.132 1.012 3.166 471 H ASP 59 H ASP 59 -8.369 -5.303 4.073 472 HA ASP 59 HA ASP 59 -6.603 -6.158 6.023 473 HB2 ASP 59 HB2 ASP 59 -8.908 -7.059 4.835 474 HB3 ASP 59 HB3 ASP 59 -7.831 -8.325 4.346 475 H ILE 60 H ILE 60 -6.698 -7.053 2.622 476 HA ILE 60 HA ILE 60 -4.453 -8.845 2.619 477 HB ILE 60 HB ILE 60 -5.920 -7.348 0.419 478 HG12 ILE 60 HG12 ILE 60 -6.094 -10.330 0.941 479 HG13 ILE 60 HG13 ILE 60 -7.049 -9.238 1.930 480 HG21 ILE 60 HG21 ILE 60 -3.894 -9.632 0.187 481 HG22 ILE 60 HG22 ILE 60 -4.927 -9.056 -1.133 482 HG23 ILE 60 HG23 ILE 60 -3.700 -7.987 -0.443 483 HD11 ILE 60 HD11 ILE 60 -8.102 -8.277 -0.083 484 HD12 ILE 60 HD12 ILE 60 -7.224 -9.453 -1.085 485 HD13 ILE 60 HD13 ILE 60 -8.408 -10.004 0.125 486 H ALA 61 H ALA 61 -4.776 -5.287 2.151 487 HA ALA 61 HA ALA 61 -1.999 -4.987 1.361 488 HB1 ALA 61 HB1 ALA 61 -3.942 -2.907 2.457 489 HB2 ALA 61 HB2 ALA 61 -2.406 -2.597 1.638 490 HB3 ALA 61 HB3 ALA 61 -3.749 -3.330 0.742 491 H LEU 62 H LEU 62 -3.848 -4.842 4.465 492 HA LEU 62 HA LEU 62 -1.653 -3.876 6.048 493 HB2 LEU 62 HB2 LEU 62 -4.228 -5.333 6.694 494 HB3 LEU 62 HB3 LEU 62 -3.079 -4.854 7.945 495 HG LEU 62 HG LEU 62 -4.150 -2.836 5.944 496 HD11 LEU 62 HD11 LEU 62 -5.913 -2.229 7.548 497 HD12 LEU 62 HD12 LEU 62 -5.431 -3.569 8.610 498 HD13 LEU 62 HD13 LEU 62 -6.101 -3.894 7.003 499 HD21 LEU 62 HD21 LEU 62 -3.477 -2.097 8.763 500 HD22 LEU 62 HD22 LEU 62 -3.198 -1.226 7.246 501 HD23 LEU 62 HD23 LEU 62 -2.118 -2.531 7.726 502 H LEU 63 H LEU 63 -2.562 -7.074 4.936 503 HA LEU 63 HA LEU 63 -0.913 -8.560 6.753 504 HB2 LEU 63 HB2 LEU 63 -2.205 -9.101 4.071 505 HB3 LEU 63 HB3 LEU 63 -1.035 -10.258 4.678 506 HG LEU 63 HG LEU 63 -3.352 -9.359 6.417 507 HD11 LEU 63 HD11 LEU 63 -3.339 -11.667 4.434 508 HD12 LEU 63 HD12 LEU 63 -4.331 -10.189 4.346 509 HD13 LEU 63 HD13 LEU 63 -4.595 -11.341 5.655 510 HD21 LEU 63 HD21 LEU 63 -2.967 -11.520 7.530 511 HD22 LEU 63 HD22 LEU 63 -1.483 -10.566 7.534 512 HD23 LEU 63 HD23 LEU 63 -1.667 -11.907 6.384 513 H GLN 64 H GLN 64 0.036 -6.355 4.349 514 HA GLN 64 HA GLN 64 2.514 -7.785 3.697 515 HB2 GLN 64 HB2 GLN 64 1.759 -4.980 2.866 516 HB3 GLN 64 HB3 GLN 64 2.977 -6.058 2.179 517 HG2 GLN 64 HG2 GLN 64 -0.036 -6.269 1.958 518 HG3 GLN 64 HG3 GLN 64 1.121 -6.012 0.673 519 HE21 GLN 64 HE21 GLN 64 -0.931 -8.266 1.887 520 HE22 GLN 64 HE22 GLN 64 -0.104 -9.735 1.396 521 H HIS 65 H HIS 65 1.637 -6.302 6.555 522 HA HIS 65 HA HIS 65 3.773 -4.516 7.031 523 HB2 HIS 65 HB2 HIS 65 1.667 -4.604 8.369 524 HB3 HIS 65 HB3 HIS 65 2.104 -6.223 8.923 525 HD2 HIS 65 HD2 HIS 65 3.088 -6.126 11.300 526 HE1 HIS 65 HE1 HIS 65 5.261 -2.471 11.043 527 HE2 HIS 65 HE2 HIS 65 4.647 -4.399 12.569 528 H GLY 66 H GLY 66 5.719 -4.974 7.543 529 HA2 GLY 66 HA2 GLY 66 7.688 -6.044 8.175 530 HA3 GLY 66 HA3 GLY 66 6.756 -7.283 8.959 531 H THR 67 H THR 67 5.963 -7.025 5.490 532 HA THR 67 HA THR 67 7.217 -9.615 5.113 533 HB THR 67 HB THR 67 6.615 -9.167 2.704 534 HG1 THR 67 HG1 THR 67 6.632 -6.823 3.017 535 HG21 THR 67 HG21 THR 67 4.173 -9.387 3.056 536 HG22 THR 67 HG22 THR 67 4.359 -8.854 4.744 537 HG23 THR 67 HG23 THR 67 5.070 -10.386 4.207 538 H LEU 68 H LEU 68 9.111 -10.062 3.843 539 HA LEU 68 HA LEU 68 11.074 -7.837 3.750 540 HB2 LEU 68 HB2 LEU 68 11.302 -10.827 3.321 541 HB3 LEU 68 HB3 LEU 68 12.644 -9.713 3.108 542 HG LEU 68 HG LEU 68 11.155 -10.131 5.748 543 HD11 LEU 68 HD11 LEU 68 13.935 -11.011 4.911 544 HD12 LEU 68 HD12 LEU 68 12.532 -12.091 5.141 545 HD13 LEU 68 HD13 LEU 68 13.187 -11.191 6.534 546 HD21 LEU 68 HD21 LEU 68 13.136 -8.878 6.677 547 HD22 LEU 68 HD22 LEU 68 12.108 -7.934 5.603 548 HD23 LEU 68 HD23 LEU 68 13.657 -8.541 5.009 549 H LEU 69 H LEU 69 10.856 -6.667 2.026 550 HA LEU 69 HA LEU 69 10.162 -7.894 -0.618 551 HB2 LEU 69 HB2 LEU 69 8.462 -6.306 0.049 552 HB3 LEU 69 HB3 LEU 69 9.682 -5.121 0.524 553 HG LEU 69 HG LEU 69 10.374 -4.790 -1.777 554 HD11 LEU 69 HD11 LEU 69 9.955 -7.041 -2.766 555 HD12 LEU 69 HD12 LEU 69 9.157 -5.774 -3.695 556 HD13 LEU 69 HD13 LEU 69 8.223 -6.787 -2.594 557 HD21 LEU 69 HD21 LEU 69 7.357 -4.628 -1.469 558 HD22 LEU 69 HD22 LEU 69 8.320 -3.735 -2.657 559 HD23 LEU 69 HD23 LEU 69 8.536 -3.416 -0.929 560 H LYS 70 H LYS 70 11.897 -8.000 -1.954 561 HA LYS 70 HA LYS 70 14.011 -7.752 -2.756 562 HB2 LYS 70 HB2 LYS 70 13.428 -4.846 -2.184 563 HB3 LYS 70 HB3 LYS 70 14.720 -5.424 -3.233 564 HG2 LYS 70 HG2 LYS 70 13.297 -6.065 -4.929 565 HG3 LYS 70 HG3 LYS 70 11.970 -6.458 -3.862 566 HD2 LYS 70 HD2 LYS 70 11.231 -4.601 -5.006 567 HD3 LYS 70 HD3 LYS 70 11.631 -4.007 -3.415 568 HE2 LYS 70 HE2 LYS 70 12.307 -2.453 -5.125 569 HE3 LYS 70 HE3 LYS 70 13.728 -3.048 -4.226 570 HZ1 LYS 70 HZ1 LYS 70 13.965 -2.914 -6.723 571 HZ2 LYS 70 HZ2 LYS 70 12.896 -4.155 -6.850 572 HZ3 LYS 70 HZ3 LYS 70 14.318 -4.385 -6.117 573 H GLU 71 H GLU 71 13.915 -8.593 -0.093 574 HA GLU 71 HA GLU 71 15.175 -8.977 1.679 575 HB2 GLU 71 HB2 GLU 71 17.503 -7.856 0.078 576 HB3 GLU 71 HB3 GLU 71 17.548 -9.000 1.431 577 HG2 GLU 71 HG2 GLU 71 16.014 -10.509 0.036 578 HG3 GLU 71 HG3 GLU 71 16.339 -9.446 -1.337 579 H LYS 72 H LYS 72 13.708 -6.541 1.646 580 HA LYS 72 HA LYS 72 15.071 -5.128 3.833 581 HB2 LYS 72 HB2 LYS 72 14.347 -4.047 1.154 582 HB3 LYS 72 HB3 LYS 72 13.727 -3.096 2.491 583 HG2 LYS 72 HG2 LYS 72 16.643 -3.994 2.374 584 HG3 LYS 72 HG3 LYS 72 16.107 -2.521 1.590 585 HD2 LYS 72 HD2 LYS 72 15.568 -3.038 4.542 586 HD3 LYS 72 HD3 LYS 72 17.048 -2.258 3.952 587 HE2 LYS 72 HE2 LYS 72 15.949 -0.397 3.116 588 HE3 LYS 72 HE3 LYS 72 14.383 -1.205 2.999 589 HZ1 LYS 72 HZ1 LYS 72 14.048 -1.012 5.272 590 HZ2 LYS 72 HZ2 LYS 72 14.623 0.425 4.775 591 HZ3 LYS 72 HZ3 LYS 72 15.629 -0.588 5.598 592 H LYS 73 H LYS 73 13.746 -5.251 5.547 593 HA LYS 73 HA LYS 73 11.012 -6.116 5.174 594 HB2 LYS 73 HB2 LYS 73 12.744 -6.457 7.222 595 HB3 LYS 73 HB3 LYS 73 11.996 -4.953 7.783 596 HG2 LYS 73 HG2 LYS 73 9.869 -5.898 7.968 597 HG3 LYS 73 HG3 LYS 73 10.236 -7.195 6.829 598 HD2 LYS 73 HD2 LYS 73 10.031 -8.136 8.998 599 HD3 LYS 73 HD3 LYS 73 11.703 -8.301 8.481 600 HE2 LYS 73 HE2 LYS 73 10.648 -6.088 10.276 601 HE3 LYS 73 HE3 LYS 73 11.247 -7.644 10.864 602 HZ1 LYS 73 HZ1 LYS 73 12.967 -5.741 9.355 603 HZ2 LYS 73 HZ2 LYS 73 13.417 -7.189 10.012 604 HZ3 LYS 73 HZ3 LYS 73 13.007 -5.951 10.957 605 H ILE 74 H ILE 74 9.233 -4.859 5.568 606 HA ILE 74 HA ILE 74 9.521 -1.904 5.850 607 HB ILE 74 HB ILE 74 7.792 -1.657 4.094 608 HG12 ILE 74 HG12 ILE 74 8.258 -4.654 3.689 609 HG13 ILE 74 HG13 ILE 74 6.750 -3.891 4.194 610 HG21 ILE 74 HG21 ILE 74 9.318 -1.818 2.261 611 HG22 ILE 74 HG22 ILE 74 10.300 -1.517 3.698 612 HG23 ILE 74 HG23 ILE 74 10.218 -3.150 3.013 613 HD11 ILE 74 HD11 ILE 74 6.717 -4.569 1.858 614 HD12 ILE 74 HD12 ILE 74 6.637 -2.786 1.994 615 HD13 ILE 74 HD13 ILE 74 8.140 -3.600 1.490 616 H ASN 75 H ASN 75 7.352 -0.833 6.244 617 HA ASN 75 HA ASN 75 5.755 -2.443 8.210 618 HB2 ASN 75 HB2 ASN 75 5.406 -0.245 9.365 619 HB3 ASN 75 HB3 ASN 75 7.085 -0.802 9.444 620 HD21 ASN 75 HD21 ASN 75 4.816 1.567 7.913 621 HD22 ASN 75 HD22 ASN 75 6.088 2.612 7.323 622 H VAL 76 H VAL 76 3.461 -1.984 8.340 623 HA VAL 76 HA VAL 76 2.385 -0.172 6.259 624 HB VAL 76 HB VAL 76 1.453 -2.995 6.916 625 HG11 VAL 76 HG11 VAL 76 0.385 -0.900 4.970 626 HG12 VAL 76 HG12 VAL 76 -0.141 -2.590 4.993 627 HG13 VAL 76 HG13 VAL 76 -0.467 -1.548 6.380 628 HG21 VAL 76 HG21 VAL 76 1.978 -3.597 4.647 629 HG22 VAL 76 HG22 VAL 76 2.575 -1.973 4.298 630 HG23 VAL 76 HG23 VAL 76 3.458 -3.014 5.431 631 H GLU 77 H GLU 77 0.673 1.084 7.008 632 HA GLU 77 HA GLU 77 -0.820 0.426 9.398 633 HB2 GLU 77 HB2 GLU 77 -0.408 2.708 10.381 634 HB3 GLU 77 HB3 GLU 77 0.907 1.531 10.575 635 HG2 GLU 77 HG2 GLU 77 1.985 2.750 8.574 636 HG3 GLU 77 HG3 GLU 77 0.716 3.984 8.833 637 H LEU 78 H LEU 78 -2.706 2.088 9.630 638 HA LEU 78 HA LEU 78 -3.662 2.794 6.962 639 HB2 LEU 78 HB2 LEU 78 -4.721 1.664 9.408 640 HB3 LEU 78 HB3 LEU 78 -5.458 3.224 9.240 641 HG LEU 78 HG LEU 78 -6.778 1.548 8.326 642 HD11 LEU 78 HD11 LEU 78 -5.718 3.027 5.880 643 HD12 LEU 78 HD12 LEU 78 -6.640 3.836 7.161 644 HD13 LEU 78 HD13 LEU 78 -7.385 2.540 6.228 645 HD21 LEU 78 HD21 LEU 78 -6.205 0.130 6.417 646 HD22 LEU 78 HD22 LEU 78 -5.093 -0.099 7.767 647 HD23 LEU 78 HD23 LEU 78 -4.576 0.841 6.350 648 H THR 79 H THR 79 -4.569 4.839 6.550 649 HA THR 79 HA THR 79 -4.251 6.985 8.520 650 HB THR 79 HB THR 79 -3.253 8.419 6.768 651 HG1 THR 79 HG1 THR 79 -3.411 6.076 5.295 652 HG21 THR 79 HG21 THR 79 -1.502 6.011 7.381 653 HG22 THR 79 HG22 THR 79 -1.788 7.366 8.477 654 HG23 THR 79 HG23 THR 79 -0.965 7.646 6.934 655 H VAL 80 H VAL 80 -5.411 8.856 7.848 656 HA VAL 80 HA VAL 80 -7.361 9.877 7.549 657 HB VAL 80 HB VAL 80 -7.050 8.915 4.687 658 HG11 VAL 80 HG11 VAL 80 -8.205 11.075 4.197 659 HG12 VAL 80 HG12 VAL 80 -9.227 9.988 5.144 660 HG13 VAL 80 HG13 VAL 80 -8.422 11.334 5.953 661 HG21 VAL 80 HG21 VAL 80 -4.936 9.904 5.396 662 HG22 VAL 80 HG22 VAL 80 -5.799 11.089 4.418 663 HG23 VAL 80 HG23 VAL 80 -5.781 11.252 6.186 664 H GLY 81 H GLY 81 -8.769 8.829 8.886 665 HA2 GLY 81 HA2 GLY 81 -11.231 8.138 8.221 666 HA3 GLY 81 HA3 GLY 81 -10.409 6.615 7.841 667 H GLY 82 H GLY 82 -11.346 8.842 10.323 668 HA2 GLY 82 HA2 GLY 82 -9.942 7.725 12.579 669 HA3 GLY 82 HA3 GLY 82 -11.368 8.778 12.629 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -14.580 11.615 2.791 2 HA2 GLY 1 HA2 GLY 1 -15.534 11.894 0.634 3 HA3 GLY 1 HA3 GLY 1 -14.022 11.297 -0.103 4 H ASN 2 H ASN 2 -14.309 9.300 -0.915 5 HA ASN 2 HA ASN 2 -15.576 7.225 0.772 6 HB2 ASN 2 HB2 ASN 2 -16.574 6.221 -1.259 7 HB3 ASN 2 HB3 ASN 2 -17.324 7.725 -0.742 8 HD21 ASN 2 HD21 ASN 2 -15.091 6.331 -3.233 9 HD22 ASN 2 HD22 ASN 2 -15.493 7.530 -4.420 10 H ARG 3 H ARG 3 -12.931 7.753 0.844 11 HA ARG 3 HA ARG 3 -11.831 5.323 -0.275 12 HB2 ARG 3 HB2 ARG 3 -9.814 6.360 -1.192 13 HB3 ARG 3 HB3 ARG 3 -11.254 6.614 -2.143 14 HG2 ARG 3 HG2 ARG 3 -11.259 8.889 -1.866 15 HG3 ARG 3 HG3 ARG 3 -10.495 8.850 -0.285 16 HD2 ARG 3 HD2 ARG 3 -8.319 8.203 -1.320 17 HD3 ARG 3 HD3 ARG 3 -9.116 8.053 -2.891 18 HE ARG 3 HE ARG 3 -8.927 10.291 -3.240 19 HH11 ARG 3 HH11 ARG 3 -8.435 9.816 0.241 20 HH12 ARG 3 HH12 ARG 3 -7.785 11.401 0.513 21 HH21 ARG 3 HH21 ARG 3 -7.804 12.269 -2.928 22 HH22 ARG 3 HH22 ARG 3 -7.545 12.877 -1.353 23 H PHE 4 H PHE 4 -9.633 4.914 0.622 24 HA PHE 4 HA PHE 4 -9.064 6.148 3.293 25 HB2 PHE 4 HB2 PHE 4 -9.277 3.177 2.541 26 HB3 PHE 4 HB3 PHE 4 -8.507 3.777 4.000 27 HD1 PHE 4 HD1 PHE 4 -11.809 3.604 2.241 28 HD2 PHE 4 HD2 PHE 4 -9.722 4.138 5.964 29 HE1 PHE 4 HE1 PHE 4 -13.976 3.503 3.468 30 HE2 PHE 4 HE2 PHE 4 -11.877 4.027 7.188 31 HZ PHE 4 HZ PHE 4 -14.001 3.738 5.947 32 H ILE 5 H ILE 5 -6.702 5.474 3.888 33 HA ILE 5 HA ILE 5 -5.103 5.048 1.446 34 HB ILE 5 HB ILE 5 -4.700 7.201 3.533 35 HG12 ILE 5 HG12 ILE 5 -4.719 7.799 0.594 36 HG13 ILE 5 HG13 ILE 5 -6.251 7.418 1.229 37 HG21 ILE 5 HG21 ILE 5 -2.697 7.911 2.225 38 HG22 ILE 5 HG22 ILE 5 -2.476 6.301 2.910 39 HG23 ILE 5 HG23 ILE 5 -2.864 6.479 1.192 40 HD11 ILE 5 HD11 ILE 5 -5.924 9.813 1.384 41 HD12 ILE 5 HD12 ILE 5 -5.992 9.140 3.020 42 HD13 ILE 5 HD13 ILE 5 -4.420 9.591 2.306 43 H VAL 6 H VAL 6 -3.440 3.776 1.669 44 HA VAL 6 HA VAL 6 -2.895 2.449 4.280 45 HB VAL 6 HB VAL 6 -2.620 1.679 1.371 46 HG11 VAL 6 HG11 VAL 6 -0.568 0.907 2.591 47 HG12 VAL 6 HG12 VAL 6 -1.618 -0.082 3.616 48 HG13 VAL 6 HG13 VAL 6 -1.540 -0.362 1.868 49 HG21 VAL 6 HG21 VAL 6 -4.847 1.319 2.333 50 HG22 VAL 6 HG22 VAL 6 -4.061 -0.236 2.022 51 HG23 VAL 6 HG23 VAL 6 -4.142 0.396 3.671 52 H PHE 7 H PHE 7 -1.106 3.137 5.259 53 HA PHE 7 HA PHE 7 0.867 4.863 3.888 54 HB2 PHE 7 HB2 PHE 7 -0.144 5.535 6.083 55 HB3 PHE 7 HB3 PHE 7 0.360 4.033 6.784 56 HD1 PHE 7 HD1 PHE 7 2.967 3.518 6.796 57 HD2 PHE 7 HD2 PHE 7 1.231 7.445 6.495 58 HE1 PHE 7 HE1 PHE 7 5.160 4.509 7.210 59 HE2 PHE 7 HE2 PHE 7 3.374 8.431 7.206 60 HZ PHE 7 HZ PHE 7 5.384 6.968 7.439 61 H VAL 8 H VAL 8 2.876 3.982 3.383 62 HA VAL 8 HA VAL 8 3.699 1.468 4.707 63 HB VAL 8 HB VAL 8 4.022 1.853 1.715 64 HG11 VAL 8 HG11 VAL 8 4.135 -0.628 3.443 65 HG12 VAL 8 HG12 VAL 8 4.530 -0.533 1.716 66 HG13 VAL 8 HG13 VAL 8 5.548 0.263 2.934 67 HG21 VAL 8 HG21 VAL 8 1.617 1.711 2.009 68 HG22 VAL 8 HG22 VAL 8 2.185 0.153 1.420 69 HG23 VAL 8 HG23 VAL 8 1.791 0.346 3.135 70 H GLY 9 H GLY 9 5.945 1.578 5.367 71 HA2 GLY 9 HA2 GLY 9 7.652 3.447 3.873 72 HA3 GLY 9 HA3 GLY 9 7.495 3.845 5.534 73 H SER 10 H SER 10 9.933 3.417 5.032 74 HA SER 10 HA SER 10 11.822 2.347 5.444 75 HB2 SER 10 HB2 SER 10 10.002 0.802 6.994 76 HB3 SER 10 HB3 SER 10 11.042 -0.336 6.172 77 HG SER 10 HG SER 10 11.994 0.333 8.080 78 H LEU 11 H LEU 11 10.418 2.281 2.892 79 HA LEU 11 HA LEU 11 10.833 -0.215 1.604 80 HB2 LEU 11 HB2 LEU 11 10.373 2.610 0.628 81 HB3 LEU 11 HB3 LEU 11 10.775 1.339 -0.503 82 HG LEU 11 HG LEU 11 8.869 -0.002 0.089 83 HD11 LEU 11 HD11 LEU 11 7.059 0.996 1.577 84 HD12 LEU 11 HD12 LEU 11 8.246 2.182 2.143 85 HD13 LEU 11 HD13 LEU 11 8.480 0.449 2.463 86 HD21 LEU 11 HD21 LEU 11 7.134 1.402 -0.770 87 HD22 LEU 11 HD22 LEU 11 8.647 1.903 -1.524 88 HD23 LEU 11 HD23 LEU 11 7.971 2.883 -0.232 89 HA PRO 12 HA PRO 12 15.165 -0.294 0.731 90 HB2 PRO 12 HB2 PRO 12 15.126 -1.656 -1.740 91 HB3 PRO 12 HB3 PRO 12 14.951 -2.445 -0.150 92 HG2 PRO 12 HG2 PRO 12 12.853 -1.611 -2.127 93 HG3 PRO 12 HG3 PRO 12 12.884 -3.078 -1.151 94 HD2 PRO 12 HD2 PRO 12 11.329 -1.007 -0.455 95 HD3 PRO 12 HD3 PRO 12 12.153 -1.998 0.775 96 H ARG 13 H ARG 13 16.810 0.264 -1.022 97 HA ARG 13 HA ARG 13 16.181 2.905 -2.102 98 HB2 ARG 13 HB2 ARG 13 18.526 1.041 -2.701 99 HB3 ARG 13 HB3 ARG 13 18.425 2.747 -3.132 100 HG2 ARG 13 HG2 ARG 13 18.419 1.715 -0.289 101 HG3 ARG 13 HG3 ARG 13 19.869 2.223 -1.178 102 HD2 ARG 13 HD2 ARG 13 18.883 4.481 -1.471 103 HD3 ARG 13 HD3 ARG 13 17.516 3.985 -0.445 104 HE ARG 13 HE ARG 13 19.869 3.378 0.960 105 HH11 ARG 13 HH11 ARG 13 18.076 6.218 -0.195 106 HH12 ARG 13 HH12 ARG 13 18.571 7.268 1.089 107 HH21 ARG 13 HH21 ARG 13 20.773 4.841 2.562 108 HH22 ARG 13 HH22 ARG 13 20.258 6.491 2.611 109 H ASP 14 H ASP 14 16.804 -0.310 -3.472 110 HA ASP 14 HA ASP 14 16.322 0.311 -6.191 111 HB2 ASP 14 HB2 ASP 14 16.381 -2.211 -4.727 112 HB3 ASP 14 HB3 ASP 14 16.274 -2.149 -6.493 113 H ILE 15 H ILE 15 13.971 0.579 -3.929 114 HA ILE 15 HA ILE 15 11.925 -1.102 -4.919 115 HB ILE 15 HB ILE 15 11.840 0.110 -2.725 116 HG12 ILE 15 HG12 ILE 15 9.336 0.842 -3.150 117 HG13 ILE 15 HG13 ILE 15 9.609 0.158 -4.749 118 HG21 ILE 15 HG21 ILE 15 12.673 2.312 -3.562 119 HG22 ILE 15 HG22 ILE 15 11.091 2.559 -4.294 120 HG23 ILE 15 HG23 ILE 15 11.259 2.387 -2.524 121 HD11 ILE 15 HD11 ILE 15 8.619 -1.478 -3.381 122 HD12 ILE 15 HD12 ILE 15 10.286 -1.983 -3.689 123 HD13 ILE 15 HD13 ILE 15 9.845 -1.277 -2.110 124 H THR 16 H THR 16 10.609 -1.002 -6.646 125 HA THR 16 HA THR 16 10.575 1.372 -8.384 126 HB THR 16 HB THR 16 10.429 -0.916 -10.038 127 HG1 THR 16 HG1 THR 16 12.474 -1.087 -8.089 128 HG21 THR 16 HG21 THR 16 12.779 0.979 -9.562 129 HG22 THR 16 HG22 THR 16 11.381 1.276 -10.621 130 HG23 THR 16 HG23 THR 16 12.502 -0.034 -11.003 131 H ALA 17 H ALA 17 8.630 1.550 -9.643 132 HA ALA 17 HA ALA 17 6.301 0.962 -8.150 133 HB1 ALA 17 HB1 ALA 17 6.678 1.566 -11.114 134 HB2 ALA 17 HB2 ALA 17 5.101 1.495 -10.303 135 HB3 ALA 17 HB3 ALA 17 6.279 2.722 -9.826 136 H VAL 18 H VAL 18 8.037 -0.935 -10.583 137 HA VAL 18 HA VAL 18 5.997 -2.790 -11.214 138 HB VAL 18 HB VAL 18 9.009 -3.293 -10.958 139 HG11 VAL 18 HG11 VAL 18 6.917 -4.816 -12.574 140 HG12 VAL 18 HG12 VAL 18 8.665 -5.110 -12.603 141 HG13 VAL 18 HG13 VAL 18 7.757 -5.424 -11.124 142 HG21 VAL 18 HG21 VAL 18 9.008 -2.852 -13.457 143 HG22 VAL 18 HG22 VAL 18 7.359 -2.250 -13.279 144 HG23 VAL 18 HG23 VAL 18 8.710 -1.432 -12.457 145 H GLU 19 H GLU 19 8.368 -2.749 -8.571 146 HA GLU 19 HA GLU 19 7.720 -5.269 -7.478 147 HB2 GLU 19 HB2 GLU 19 8.799 -2.911 -5.907 148 HB3 GLU 19 HB3 GLU 19 9.055 -4.629 -5.604 149 HG2 GLU 19 HG2 GLU 19 10.046 -3.077 -8.021 150 HG3 GLU 19 HG3 GLU 19 11.017 -3.460 -6.611 151 H LEU 20 H LEU 20 6.601 -1.965 -6.816 152 HA LEU 20 HA LEU 20 4.885 -2.620 -4.601 153 HB2 LEU 20 HB2 LEU 20 4.975 -0.261 -6.528 154 HB3 LEU 20 HB3 LEU 20 3.925 -0.329 -5.128 155 HG LEU 20 HG LEU 20 6.959 -0.356 -5.089 156 HD11 LEU 20 HD11 LEU 20 5.834 1.785 -5.615 157 HD12 LEU 20 HD12 LEU 20 6.691 1.818 -4.055 158 HD13 LEU 20 HD13 LEU 20 4.923 1.670 -4.097 159 HD21 LEU 20 HD21 LEU 20 6.255 -1.710 -3.181 160 HD22 LEU 20 HD22 LEU 20 4.986 -0.541 -2.780 161 HD23 LEU 20 HD23 LEU 20 6.690 -0.103 -2.586 162 H GLN 21 H GLN 21 4.244 -2.220 -8.113 163 HA GLN 21 HA GLN 21 1.418 -2.511 -8.035 164 HB2 GLN 21 HB2 GLN 21 3.570 -3.226 -10.062 165 HB3 GLN 21 HB3 GLN 21 1.868 -3.487 -10.414 166 HG2 GLN 21 HG2 GLN 21 2.885 -0.746 -9.572 167 HG3 GLN 21 HG3 GLN 21 3.060 -1.325 -11.231 168 HE21 GLN 21 HE21 GLN 21 1.730 0.499 -11.850 169 HE22 GLN 21 HE22 GLN 21 0.020 0.576 -11.483 170 H ASN 22 H ASN 22 4.073 -4.901 -8.375 171 HA ASN 22 HA ASN 22 2.455 -7.237 -8.428 172 HB2 ASN 22 HB2 ASN 22 4.752 -7.099 -9.253 173 HB3 ASN 22 HB3 ASN 22 5.358 -6.664 -7.653 174 HD21 ASN 22 HD21 ASN 22 6.246 -8.313 -6.538 175 HD22 ASN 22 HD22 ASN 22 5.835 -10.007 -6.731 176 H HIS 23 H HIS 23 4.020 -5.573 -5.614 177 HA HIS 23 HA HIS 23 3.195 -7.701 -3.844 178 HB2 HIS 23 HB2 HIS 23 4.923 -5.429 -3.652 179 HB3 HIS 23 HB3 HIS 23 3.730 -5.277 -2.398 180 HD2 HIS 23 HD2 HIS 23 3.320 -8.026 -1.164 181 HE1 HIS 23 HE1 HIS 23 7.497 -8.881 -1.541 182 HE2 HIS 23 HE2 HIS 23 5.270 -9.570 -0.388 183 H PHE 24 H PHE 24 1.497 -4.853 -4.974 184 HA PHE 24 HA PHE 24 -0.545 -5.304 -2.848 185 HB2 PHE 24 HB2 PHE 24 0.094 -2.817 -4.364 186 HB3 PHE 24 HB3 PHE 24 -1.361 -3.028 -3.403 187 HD1 PHE 24 HD2 PHE 24 -1.291 -3.302 -0.930 188 HD2 PHE 24 HD1 PHE 24 2.321 -2.632 -3.199 189 HE1 PHE 24 HE2 PHE 24 -0.047 -2.805 1.162 190 HE2 PHE 24 HE1 PHE 24 3.533 -2.133 -1.131 191 HZ PHE 24 HZ PHE 24 2.343 -2.201 1.074 192 H LYS 25 H LYS 25 0.035 -6.325 -5.933 193 HA LYS 25 HA LYS 25 -2.132 -5.922 -7.444 194 HB2 LYS 25 HB2 LYS 25 0.182 -7.271 -7.605 195 HB3 LYS 25 HB3 LYS 25 -0.819 -8.660 -7.263 196 HG2 LYS 25 HG2 LYS 25 -2.254 -8.006 -9.199 197 HG3 LYS 25 HG3 LYS 25 -1.206 -6.581 -9.438 198 HD2 LYS 25 HD2 LYS 25 0.732 -8.029 -9.858 199 HD3 LYS 25 HD3 LYS 25 -0.258 -9.483 -9.606 200 HE2 LYS 25 HE2 LYS 25 -1.569 -9.050 -11.565 201 HE3 LYS 25 HE3 LYS 25 -0.947 -7.398 -11.701 202 HZ1 LYS 25 HZ1 LYS 25 1.182 -8.228 -12.317 203 HZ2 LYS 25 HZ2 LYS 25 0.077 -8.964 -13.279 204 HZ3 LYS 25 HZ3 LYS 25 0.757 -9.800 -12.068 205 H ASN 26 H ASN 26 -1.992 -8.117 -4.611 206 HA ASN 26 HA ASN 26 -4.544 -9.362 -5.356 207 HB2 ASN 26 HB2 ASN 26 -2.927 -9.647 -2.805 208 HB3 ASN 26 HB3 ASN 26 -4.328 -10.614 -3.272 209 HD21 ASN 26 HD21 ASN 26 -1.158 -11.111 -2.995 210 HD22 ASN 26 HD22 ASN 26 -0.855 -12.036 -4.441 211 H SER 27 H SER 27 -3.396 -6.848 -3.104 212 HA SER 27 HA SER 27 -5.939 -6.404 -1.764 213 HB2 SER 27 HB2 SER 27 -4.618 -4.090 -1.390 214 HB3 SER 27 HB3 SER 27 -4.272 -5.541 -0.469 215 HG SER 27 HG SER 27 -2.895 -4.845 -2.840 216 H SER 28 H SER 28 -4.647 -5.447 -4.877 217 HA SER 28 HA SER 28 -5.448 -4.154 -6.526 218 HB2 SER 28 HB2 SER 28 -8.062 -5.055 -5.283 219 HB3 SER 28 HB3 SER 28 -7.912 -4.311 -6.889 220 HG SER 28 HG SER 28 -7.716 -6.800 -6.598 221 HA PRO 29 HA PRO 29 -5.900 -0.273 -3.883 222 HB2 PRO 29 HB2 PRO 29 -3.678 0.990 -4.800 223 HB3 PRO 29 HB3 PRO 29 -3.601 -0.211 -3.484 224 HG2 PRO 29 HG2 PRO 29 -3.099 -0.657 -6.452 225 HG3 PRO 29 HG3 PRO 29 -2.036 -1.125 -5.080 226 HD2 PRO 29 HD2 PRO 29 -3.714 -2.913 -6.177 227 HD3 PRO 29 HD3 PRO 29 -3.534 -2.834 -4.397 228 H ASP 30 H ASP 30 -5.886 1.987 -4.806 229 HA ASP 30 HA ASP 30 -7.085 1.933 -7.538 230 HB2 ASP 30 HB2 ASP 30 -8.623 2.648 -5.713 231 HB3 ASP 30 HB3 ASP 30 -7.513 3.988 -5.335 232 H GLN 31 H GLN 31 -4.999 3.640 -5.249 233 HA GLN 31 HA GLN 31 -3.512 4.989 -7.493 234 HB2 GLN 31 HB2 GLN 31 -4.927 6.382 -5.879 235 HB3 GLN 31 HB3 GLN 31 -3.832 5.849 -4.604 236 HG2 GLN 31 HG2 GLN 31 -3.103 7.992 -5.101 237 HG3 GLN 31 HG3 GLN 31 -1.931 6.973 -5.886 238 HE21 GLN 31 HE21 GLN 31 -5.146 8.368 -6.569 239 HE22 GLN 31 HE22 GLN 31 -4.833 8.688 -8.304 240 H ILE 32 H ILE 32 -1.224 5.168 -7.209 241 HA ILE 32 HA ILE 32 0.147 3.735 -5.028 242 HB ILE 32 HB ILE 32 0.446 3.154 -8.023 243 HG12 ILE 32 HG12 ILE 32 -0.333 1.270 -5.749 244 HG13 ILE 32 HG13 ILE 32 -1.448 1.943 -6.933 245 HG21 ILE 32 HG21 ILE 32 2.674 3.244 -6.865 246 HG22 ILE 32 HG22 ILE 32 2.105 1.997 -5.740 247 HG23 ILE 32 HG23 ILE 32 2.287 1.645 -7.468 248 HD11 ILE 32 HD11 ILE 32 0.776 0.012 -7.601 249 HD12 ILE 32 HD12 ILE 32 -0.970 -0.284 -7.575 250 HD13 ILE 32 HD13 ILE 32 -0.293 0.840 -8.764 251 H ARG 33 H ARG 33 1.797 5.204 -4.377 252 HA ARG 33 HA ARG 33 3.088 6.874 -6.380 253 HB2 ARG 33 HB2 ARG 33 1.039 7.968 -4.925 254 HB3 ARG 33 HB3 ARG 33 2.318 8.248 -3.790 255 HG2 ARG 33 HG2 ARG 33 2.424 9.039 -6.725 256 HG3 ARG 33 HG3 ARG 33 1.970 10.084 -5.379 257 HD2 ARG 33 HD2 ARG 33 4.234 9.903 -4.419 258 HD3 ARG 33 HD3 ARG 33 4.688 8.736 -5.674 259 HE ARG 33 HE ARG 33 3.738 11.214 -6.787 260 HH11 ARG 33 HH11 ARG 33 6.717 9.582 -5.559 261 HH12 ARG 33 HH12 ARG 33 7.744 10.774 -6.292 262 HH21 ARG 33 HH21 ARG 33 5.230 12.350 -8.138 263 HH22 ARG 33 HH22 ARG 33 6.925 12.279 -7.751 264 H LEU 34 H LEU 34 5.034 5.862 -6.130 265 HA LEU 34 HA LEU 34 6.142 5.157 -3.547 266 HB2 LEU 34 HB2 LEU 34 6.453 3.891 -5.666 267 HB3 LEU 34 HB3 LEU 34 7.345 5.225 -6.343 268 HG LEU 34 HG LEU 34 8.552 3.005 -5.265 269 HD11 LEU 34 HD11 LEU 34 10.573 4.523 -4.966 270 HD12 LEU 34 HD12 LEU 34 9.493 5.919 -5.064 271 HD13 LEU 34 HD13 LEU 34 9.684 4.833 -6.456 272 HD21 LEU 34 HD21 LEU 34 8.579 4.950 -2.962 273 HD22 LEU 34 HD22 LEU 34 9.352 3.364 -3.089 274 HD23 LEU 34 HD23 LEU 34 7.610 3.475 -3.012 275 H ARG 35 H ARG 35 7.355 6.522 -2.242 276 HA ARG 35 HA ARG 35 8.313 9.094 -3.384 277 HB2 ARG 35 HB2 ARG 35 6.387 8.715 -1.300 278 HB3 ARG 35 HB3 ARG 35 7.822 9.479 -0.610 279 HG2 ARG 35 HG2 ARG 35 7.793 11.300 -2.061 280 HG3 ARG 35 HG3 ARG 35 6.734 10.490 -3.247 281 HD2 ARG 35 HD2 ARG 35 4.927 10.488 -1.683 282 HD3 ARG 35 HD3 ARG 35 5.933 11.339 -0.477 283 HE ARG 35 HE ARG 35 6.205 13.136 -2.241 284 HH11 ARG 35 HH11 ARG 35 3.096 11.391 -1.964 285 HH12 ARG 35 HH12 ARG 35 2.332 12.298 -3.204 286 HH21 ARG 35 HH21 ARG 35 4.996 14.683 -3.317 287 HH22 ARG 35 HH22 ARG 35 3.363 14.381 -3.803 288 H ALA 36 H ALA 36 10.306 8.274 -3.849 289 HA ALA 36 HA ALA 36 12.004 6.840 -2.083 290 HB1 ALA 36 HB1 ALA 36 13.822 7.594 -3.581 291 HB2 ALA 36 HB2 ALA 36 12.418 7.034 -4.508 292 HB3 ALA 36 HB3 ALA 36 12.730 8.782 -4.319 293 H ASP 37 H ASP 37 11.134 10.207 -2.114 294 HA ASP 37 HA ASP 37 13.280 11.542 -0.923 295 HB2 ASP 37 HB2 ASP 37 10.294 11.810 -0.461 296 HB3 ASP 37 HB3 ASP 37 11.469 12.953 0.188 297 H LYS 38 H LYS 38 10.891 9.366 0.595 298 HA LYS 38 HA LYS 38 12.395 9.514 3.153 299 HB2 LYS 38 HB2 LYS 38 9.508 10.069 2.629 300 HB3 LYS 38 HB3 LYS 38 9.871 9.170 4.097 301 HG2 LYS 38 HG2 LYS 38 11.160 11.827 3.393 302 HG3 LYS 38 HG3 LYS 38 9.695 11.631 4.351 303 HD2 LYS 38 HD2 LYS 38 11.163 10.014 5.833 304 HD3 LYS 38 HD3 LYS 38 12.537 10.838 5.080 305 HE2 LYS 38 HE2 LYS 38 10.217 12.159 6.561 306 HE3 LYS 38 HE3 LYS 38 11.793 11.837 7.276 307 HZ1 LYS 38 HZ1 LYS 38 11.509 13.520 4.855 308 HZ2 LYS 38 HZ2 LYS 38 12.778 13.463 5.887 309 HZ3 LYS 38 HZ3 LYS 38 11.345 14.124 6.367 310 H GLY 39 H GLY 39 11.572 7.377 0.704 311 HA2 GLY 39 HA2 GLY 39 11.771 5.052 0.742 312 HA3 GLY 39 HA3 GLY 39 12.119 5.121 2.464 313 H ILE 40 H ILE 40 9.220 6.405 0.798 314 HA ILE 40 HA ILE 40 7.481 4.466 2.188 315 HB ILE 40 HB ILE 40 5.915 6.555 2.385 316 HG12 ILE 40 HG12 ILE 40 8.499 7.992 2.611 317 HG13 ILE 40 HG13 ILE 40 7.717 7.898 1.014 318 HG21 ILE 40 HG21 ILE 40 8.332 6.102 4.197 319 HG22 ILE 40 HG22 ILE 40 7.056 7.267 4.586 320 HG23 ILE 40 HG23 ILE 40 6.642 5.577 4.432 321 HD11 ILE 40 HD11 ILE 40 6.536 9.202 3.476 322 HD12 ILE 40 HD12 ILE 40 7.106 10.007 2.005 323 HD13 ILE 40 HD13 ILE 40 5.684 8.950 1.941 324 H ALA 41 H ALA 41 5.186 4.621 1.279 325 HA ALA 41 HA ALA 41 4.943 5.300 -1.544 326 HB1 ALA 41 HB1 ALA 41 4.218 2.820 -1.900 327 HB2 ALA 41 HB2 ALA 41 5.942 3.150 -1.821 328 HB3 ALA 41 HB3 ALA 41 5.102 2.492 -0.410 329 H PHE 42 H PHE 42 2.841 6.194 -1.607 330 HA PHE 42 HA PHE 42 0.934 5.332 0.531 331 HB2 PHE 42 HB2 PHE 42 0.826 7.647 -1.454 332 HB3 PHE 42 HB3 PHE 42 -0.363 7.305 -0.217 333 HD1 PHE 42 HD2 PHE 42 0.240 7.480 2.223 334 HD2 PHE 42 HD1 PHE 42 2.876 8.835 -0.909 335 HE1 PHE 42 HE2 PHE 42 1.450 8.893 3.853 336 HE2 PHE 42 HE1 PHE 42 4.076 10.278 0.751 337 HZ PHE 42 HZ PHE 42 3.366 10.291 3.121 338 H LEU 43 H LEU 43 -1.185 4.651 -0.001 339 HA LEU 43 HA LEU 43 -1.743 4.122 -2.856 340 HB2 LEU 43 HB2 LEU 43 -2.108 2.128 -0.621 341 HB3 LEU 43 HB3 LEU 43 -2.639 1.942 -2.291 342 HG LEU 43 HG LEU 43 -0.002 2.381 -2.711 343 HD11 LEU 43 HD11 LEU 43 -0.168 0.886 -0.030 344 HD12 LEU 43 HD12 LEU 43 0.521 2.503 -0.239 345 HD13 LEU 43 HD13 LEU 43 1.288 1.110 -0.998 346 HD21 LEU 43 HD21 LEU 43 0.246 -0.122 -2.783 347 HD22 LEU 43 HD22 LEU 43 -1.181 0.499 -3.619 348 HD23 LEU 43 HD23 LEU 43 -1.343 -0.267 -2.013 349 H GLU 44 H GLU 44 -3.880 4.628 -3.294 350 HA GLU 44 HA GLU 44 -5.668 5.354 -1.001 351 HB2 GLU 44 HB2 GLU 44 -6.009 6.097 -3.936 352 HB3 GLU 44 HB3 GLU 44 -7.025 6.594 -2.605 353 HG2 GLU 44 HG2 GLU 44 -5.262 7.947 -1.633 354 HG3 GLU 44 HG3 GLU 44 -4.099 7.410 -2.842 355 H PHE 45 H PHE 45 -7.767 4.385 -1.041 356 HA PHE 45 HA PHE 45 -8.227 2.185 -3.007 357 HB2 PHE 45 HB2 PHE 45 -8.348 2.065 0.039 358 HB3 PHE 45 HB3 PHE 45 -9.183 0.931 -1.003 359 HD1 PHE 45 HD1 PHE 45 -5.707 2.201 -0.244 360 HD2 PHE 45 HD2 PHE 45 -8.162 -1.008 -1.740 361 HE1 PHE 45 HE1 PHE 45 -3.737 0.706 -0.334 362 HE2 PHE 45 HE2 PHE 45 -6.177 -2.494 -1.787 363 HZ PHE 45 HZ PHE 45 -3.955 -1.632 -1.090 364 H ASP 46 H ASP 46 -10.008 2.888 -4.068 365 HA ASP 46 HA ASP 46 -11.982 4.686 -3.012 366 HB2 ASP 46 HB2 ASP 46 -11.285 4.454 -5.416 367 HB3 ASP 46 HB3 ASP 46 -12.265 2.979 -5.477 368 H ALA 47 H ALA 47 -13.332 4.218 -1.534 369 HA ALA 47 HA ALA 47 -14.250 1.539 -0.871 370 HB1 ALA 47 HB1 ALA 47 -15.025 4.190 0.399 371 HB2 ALA 47 HB2 ALA 47 -15.140 2.565 1.097 372 HB3 ALA 47 HB3 ALA 47 -13.548 3.293 0.824 373 H ASP 48 H ASP 48 -15.386 4.033 -3.001 374 HA ASP 48 HA ASP 48 -18.257 3.426 -2.563 375 HB2 ASP 48 HB2 ASP 48 -17.672 5.688 -3.330 376 HB3 ASP 48 HB3 ASP 48 -16.863 5.033 -4.762 377 H LYS 49 H LYS 49 -15.493 2.752 -4.765 378 HA LYS 49 HA LYS 49 -16.977 1.213 -6.644 379 HB2 LYS 49 HB2 LYS 49 -14.860 1.959 -7.331 380 HB3 LYS 49 HB3 LYS 49 -14.061 1.431 -5.841 381 HG2 LYS 49 HG2 LYS 49 -14.277 -0.828 -6.387 382 HG3 LYS 49 HG3 LYS 49 -15.284 -0.531 -7.813 383 HD2 LYS 49 HD2 LYS 49 -13.404 0.465 -8.989 384 HD3 LYS 49 HD3 LYS 49 -12.366 0.358 -7.559 385 HE2 LYS 49 HE2 LYS 49 -13.698 -2.072 -8.839 386 HE3 LYS 49 HE3 LYS 49 -12.111 -1.495 -9.358 387 HZ1 LYS 49 HZ1 LYS 49 -12.724 -2.294 -6.552 388 HZ2 LYS 49 HZ2 LYS 49 -11.238 -1.946 -7.195 389 HZ3 LYS 49 HZ3 LYS 49 -12.044 -3.288 -7.642 390 H ASP 50 H ASP 50 -15.215 0.268 -3.684 391 HA ASP 50 HA ASP 50 -16.644 -2.375 -3.728 392 HB2 ASP 50 HB2 ASP 50 -13.924 -1.583 -2.634 393 HB3 ASP 50 HB3 ASP 50 -14.758 -3.072 -2.217 394 H ARG 51 H ARG 51 -18.484 -1.001 -2.747 395 HA ARG 51 HA ARG 51 -18.412 0.308 -0.314 396 HB2 ARG 51 HB2 ARG 51 -20.486 -1.426 -1.652 397 HB3 ARG 51 HB3 ARG 51 -20.791 -0.890 -0.013 398 HG2 ARG 51 HG2 ARG 51 -19.998 1.136 -2.141 399 HG3 ARG 51 HG3 ARG 51 -21.662 0.572 -2.001 400 HD2 ARG 51 HD2 ARG 51 -21.777 1.294 0.345 401 HD3 ARG 51 HD3 ARG 51 -20.085 1.788 0.286 402 HE ARG 51 HE ARG 51 -20.602 3.614 -1.121 403 HH11 ARG 51 HH11 ARG 51 -23.622 1.990 -0.021 404 HH12 ARG 51 HH12 ARG 51 -24.593 3.321 -0.541 405 HH21 ARG 51 HH21 ARG 51 -21.910 5.202 -1.832 406 HH22 ARG 51 HH22 ARG 51 -23.636 5.134 -1.787 407 H THR 52 H THR 52 -18.314 -3.198 -0.714 408 HA THR 52 HA THR 52 -17.947 -3.372 2.212 409 HB THR 52 HB THR 52 -18.954 -5.781 1.826 410 HG1 THR 52 HG1 THR 52 -20.770 -5.537 0.374 411 HG21 THR 52 HG21 THR 52 -19.823 -4.002 3.290 412 HG22 THR 52 HG22 THR 52 -21.124 -4.851 2.468 413 HG23 THR 52 HG23 THR 52 -20.626 -3.234 1.909 414 H GLY 53 H GLY 53 -16.621 -4.093 -0.922 415 HA2 GLY 53 HA2 GLY 53 -14.809 -6.161 -0.010 416 HA3 GLY 53 HA3 GLY 53 -14.778 -5.312 -1.563 417 H ILE 54 H ILE 54 -14.797 -2.653 0.167 418 HA ILE 54 HA ILE 54 -12.144 -1.989 -0.050 419 HB ILE 54 HB ILE 54 -13.929 -0.371 0.210 420 HG12 ILE 54 HG12 ILE 54 -13.030 1.194 1.915 421 HG13 ILE 54 HG13 ILE 54 -11.981 -0.080 2.523 422 HG21 ILE 54 HG21 ILE 54 -15.406 -1.571 1.833 423 HG22 ILE 54 HG22 ILE 54 -14.261 -1.171 3.137 424 HG23 ILE 54 HG23 ILE 54 -15.123 0.104 2.265 425 HD11 ILE 54 HD11 ILE 54 -10.807 -0.175 0.353 426 HD12 ILE 54 HD12 ILE 54 -11.929 1.037 -0.320 427 HD13 ILE 54 HD13 ILE 54 -10.815 1.477 0.993 428 H GLN 55 H GLN 55 -13.782 -3.463 2.724 429 HA GLN 55 HA GLN 55 -11.742 -3.320 4.661 430 HB2 GLN 55 HB2 GLN 55 -14.063 -3.885 5.104 431 HB3 GLN 55 HB3 GLN 55 -13.994 -5.337 4.119 432 HG2 GLN 55 HG2 GLN 55 -12.333 -4.969 6.644 433 HG3 GLN 55 HG3 GLN 55 -13.959 -5.641 6.640 434 HE21 GLN 55 HE21 GLN 55 -10.605 -6.435 6.329 435 HE22 GLN 55 HE22 GLN 55 -10.864 -8.041 5.714 436 H ARG 56 H ARG 56 -12.565 -6.137 2.581 437 HA ARG 56 HA ARG 56 -10.350 -7.730 3.096 438 HB2 ARG 56 HB2 ARG 56 -11.777 -7.364 0.419 439 HB3 ARG 56 HB3 ARG 56 -10.736 -8.715 0.831 440 HG2 ARG 56 HG2 ARG 56 -13.305 -8.075 2.363 441 HG3 ARG 56 HG3 ARG 56 -13.218 -9.088 0.933 442 HD2 ARG 56 HD2 ARG 56 -11.495 -10.511 2.144 443 HD3 ARG 56 HD3 ARG 56 -11.968 -9.652 3.632 444 HE ARG 56 HE ARG 56 -14.367 -10.402 2.604 445 HH11 ARG 56 HH11 ARG 56 -11.445 -12.332 3.421 446 HH12 ARG 56 HH12 ARG 56 -12.335 -13.801 3.539 447 HH21 ARG 56 HH21 ARG 56 -15.428 -12.445 2.460 448 HH22 ARG 56 HH22 ARG 56 -14.585 -13.870 2.961 449 H ARG 57 H ARG 57 -10.652 -5.276 0.494 450 HA ARG 57 HA ARG 57 -8.094 -5.553 -0.627 451 HB2 ARG 57 HB2 ARG 57 -9.741 -3.025 -0.314 452 HB3 ARG 57 HB3 ARG 57 -8.328 -3.225 -1.355 453 HG2 ARG 57 HG2 ARG 57 -9.469 -4.819 -2.775 454 HG3 ARG 57 HG3 ARG 57 -10.810 -4.958 -1.659 455 HD2 ARG 57 HD2 ARG 57 -11.553 -3.565 -3.418 456 HD3 ARG 57 HD3 ARG 57 -11.348 -2.545 -2.008 457 HE ARG 57 HE ARG 57 -8.979 -2.596 -3.704 458 HH11 ARG 57 HH11 ARG 57 -12.231 -1.313 -3.946 459 HH12 ARG 57 HH12 ARG 57 -11.842 0.365 -3.930 460 HH21 ARG 57 HH21 ARG 57 -8.373 -0.597 -4.568 461 HH22 ARG 57 HH22 ARG 57 -9.528 0.661 -4.891 462 H MET 58 H MET 58 -9.038 -3.332 2.066 463 HA MET 58 HA MET 58 -6.358 -2.389 2.490 464 HB2 MET 58 HB2 MET 58 -8.925 -2.317 4.132 465 HB3 MET 58 HB3 MET 58 -7.400 -1.711 4.759 466 HG2 MET 58 HG2 MET 58 -7.267 -0.400 2.471 467 HG3 MET 58 HG3 MET 58 -9.012 -0.662 2.435 468 HE1 MET 58 HE1 MET 58 -9.787 -0.507 5.542 469 HE2 MET 58 HE2 MET 58 -10.114 1.231 5.730 470 HE3 MET 58 HE3 MET 58 -10.685 0.376 4.284 471 H ASP 59 H ASP 59 -8.208 -5.119 3.857 472 HA ASP 59 HA ASP 59 -6.494 -5.800 6.002 473 HB2 ASP 59 HB2 ASP 59 -8.727 -6.902 4.621 474 HB3 ASP 59 HB3 ASP 59 -7.557 -8.172 4.713 475 H ILE 60 H ILE 60 -6.562 -6.855 2.596 476 HA ILE 60 HA ILE 60 -4.324 -8.629 2.747 477 HB ILE 60 HB ILE 60 -5.473 -7.064 0.406 478 HG12 ILE 60 HG12 ILE 60 -5.965 -10.008 0.784 479 HG13 ILE 60 HG13 ILE 60 -6.901 -8.883 1.734 480 HG21 ILE 60 HG21 ILE 60 -4.454 -8.879 -1.040 481 HG22 ILE 60 HG22 ILE 60 -3.248 -7.859 -0.243 482 HG23 ILE 60 HG23 ILE 60 -3.601 -9.479 0.391 483 HD11 ILE 60 HD11 ILE 60 -6.805 -9.030 -1.294 484 HD12 ILE 60 HD12 ILE 60 -8.202 -9.266 -0.217 485 HD13 ILE 60 HD13 ILE 60 -7.517 -7.662 -0.411 486 H ALA 61 H ALA 61 -4.598 -5.119 2.220 487 HA ALA 61 HA ALA 61 -1.821 -4.788 1.470 488 HB1 ALA 61 HB1 ALA 61 -2.273 -2.419 1.747 489 HB2 ALA 61 HB2 ALA 61 -3.629 -3.160 0.876 490 HB3 ALA 61 HB3 ALA 61 -3.786 -2.742 2.598 491 H LEU 62 H LEU 62 -3.722 -4.538 4.531 492 HA LEU 62 HA LEU 62 -1.560 -3.651 6.178 493 HB2 LEU 62 HB2 LEU 62 -4.219 -5.006 6.667 494 HB3 LEU 62 HB3 LEU 62 -3.072 -4.869 7.987 495 HG LEU 62 HG LEU 62 -3.901 -2.421 6.400 496 HD11 LEU 62 HD11 LEU 62 -5.557 -1.984 8.200 497 HD12 LEU 62 HD12 LEU 62 -5.194 -3.573 8.906 498 HD13 LEU 62 HD13 LEU 62 -5.933 -3.463 7.294 499 HD21 LEU 62 HD21 LEU 62 -2.818 -2.800 9.243 500 HD22 LEU 62 HD22 LEU 62 -3.202 -1.247 8.481 501 HD23 LEU 62 HD23 LEU 62 -1.873 -2.224 7.863 502 H LEU 63 H LEU 63 -2.573 -6.865 5.147 503 HA LEU 63 HA LEU 63 -1.005 -8.346 6.992 504 HB2 LEU 63 HB2 LEU 63 -2.150 -8.923 4.241 505 HB3 LEU 63 HB3 LEU 63 -1.087 -10.086 4.994 506 HG LEU 63 HG LEU 63 -3.778 -9.164 6.046 507 HD11 LEU 63 HD11 LEU 63 -3.801 -10.817 4.230 508 HD12 LEU 63 HD12 LEU 63 -4.258 -11.604 5.756 509 HD13 LEU 63 HD13 LEU 63 -2.622 -11.828 5.105 510 HD21 LEU 63 HD21 LEU 63 -1.669 -10.821 7.430 511 HD22 LEU 63 HD22 LEU 63 -3.414 -10.940 7.808 512 HD23 LEU 63 HD23 LEU 63 -2.570 -9.419 8.043 513 H GLN 64 H GLN 64 0.139 -6.352 4.458 514 HA GLN 64 HA GLN 64 2.547 -8.000 4.024 515 HB2 GLN 64 HB2 GLN 64 1.985 -5.265 2.864 516 HB3 GLN 64 HB3 GLN 64 3.155 -6.475 2.330 517 HG2 GLN 64 HG2 GLN 64 0.143 -6.513 2.057 518 HG3 GLN 64 HG3 GLN 64 1.328 -6.556 0.777 519 HE21 GLN 64 HE21 GLN 64 -0.957 -8.408 1.927 520 HE22 GLN 64 HE22 GLN 64 -0.276 -10.001 1.643 521 H HIS 65 H HIS 65 1.640 -6.142 6.591 522 HA HIS 65 HA HIS 65 3.765 -4.365 6.991 523 HB2 HIS 65 HB2 HIS 65 1.705 -4.372 8.326 524 HB3 HIS 65 HB3 HIS 65 2.091 -5.967 8.967 525 HD2 HIS 65 HD2 HIS 65 3.221 -5.902 11.249 526 HE1 HIS 65 HE1 HIS 65 5.380 -2.249 10.935 527 HE2 HIS 65 HE2 HIS 65 4.859 -4.218 12.456 528 H GLY 66 H GLY 66 5.829 -4.870 7.007 529 HA2 GLY 66 HA2 GLY 66 7.774 -5.793 8.022 530 HA3 GLY 66 HA3 GLY 66 6.861 -7.146 8.619 531 H THR 67 H THR 67 6.354 -6.552 5.136 532 HA THR 67 HA THR 67 7.620 -9.080 4.576 533 HB THR 67 HB THR 67 7.208 -8.234 2.164 534 HG1 THR 67 HG1 THR 67 6.113 -6.365 1.929 535 HG21 THR 67 HG21 THR 67 5.620 -9.741 3.175 536 HG22 THR 67 HG22 THR 67 4.707 -8.437 2.390 537 HG23 THR 67 HG23 THR 67 4.909 -8.451 4.155 538 H LEU 68 H LEU 68 9.486 -9.435 3.355 539 HA LEU 68 HA LEU 68 11.570 -7.328 3.565 540 HB2 LEU 68 HB2 LEU 68 11.801 -10.303 2.978 541 HB3 LEU 68 HB3 LEU 68 13.145 -9.163 3.048 542 HG LEU 68 HG LEU 68 11.380 -10.106 5.350 543 HD11 LEU 68 HD11 LEU 68 13.306 -11.509 4.745 544 HD12 LEU 68 HD12 LEU 68 13.527 -10.748 6.333 545 HD13 LEU 68 HD13 LEU 68 14.397 -10.109 4.913 546 HD21 LEU 68 HD21 LEU 68 12.904 -8.606 6.752 547 HD22 LEU 68 HD22 LEU 68 11.622 -7.822 5.822 548 HD23 LEU 68 HD23 LEU 68 13.320 -7.761 5.253 549 H LEU 69 H LEU 69 11.478 -6.080 1.907 550 HA LEU 69 HA LEU 69 11.069 -7.109 -0.874 551 HB2 LEU 69 HB2 LEU 69 10.249 -4.676 0.657 552 HB3 LEU 69 HB3 LEU 69 10.959 -4.298 -0.898 553 HG LEU 69 HG LEU 69 8.673 -6.287 -0.605 554 HD11 LEU 69 HD11 LEU 69 7.239 -4.393 -1.403 555 HD12 LEU 69 HD12 LEU 69 8.616 -3.282 -1.220 556 HD13 LEU 69 HD13 LEU 69 7.921 -4.095 0.198 557 HD21 LEU 69 HD21 LEU 69 10.071 -6.438 -2.680 558 HD22 LEU 69 HD22 LEU 69 9.763 -4.695 -2.977 559 HD23 LEU 69 HD23 LEU 69 8.437 -5.870 -3.028 560 H LYS 70 H LYS 70 13.021 -7.210 -2.009 561 HA LYS 70 HA LYS 70 15.228 -7.021 -2.436 562 HB2 LYS 70 HB2 LYS 70 14.356 -4.168 -2.215 563 HB3 LYS 70 HB3 LYS 70 16.013 -4.498 -2.584 564 HG2 LYS 70 HG2 LYS 70 15.650 -5.066 -4.689 565 HG3 LYS 70 HG3 LYS 70 14.281 -6.088 -4.303 566 HD2 LYS 70 HD2 LYS 70 14.157 -3.037 -4.455 567 HD3 LYS 70 HD3 LYS 70 13.775 -4.102 -5.814 568 HE2 LYS 70 HE2 LYS 70 12.381 -4.111 -3.113 569 HE3 LYS 70 HE3 LYS 70 11.722 -3.322 -4.568 570 HZ1 LYS 70 HZ1 LYS 70 11.730 -5.574 -5.622 571 HZ2 LYS 70 HZ2 LYS 70 10.820 -5.624 -4.279 572 HZ3 LYS 70 HZ3 LYS 70 12.324 -6.257 -4.299 573 H GLU 71 H GLU 71 14.757 -7.796 0.111 574 HA GLU 71 HA GLU 71 15.723 -8.301 2.046 575 HB2 GLU 71 HB2 GLU 71 18.242 -6.902 1.110 576 HB3 GLU 71 HB3 GLU 71 18.070 -8.089 2.399 577 HG2 GLU 71 HG2 GLU 71 17.075 -9.660 0.589 578 HG3 GLU 71 HG3 GLU 71 17.768 -8.520 -0.583 579 H LYS 72 H LYS 72 14.300 -5.615 1.745 580 HA LYS 72 HA LYS 72 15.249 -4.425 4.308 581 HB2 LYS 72 HB2 LYS 72 14.177 -3.160 1.769 582 HB3 LYS 72 HB3 LYS 72 13.997 -2.336 3.307 583 HG2 LYS 72 HG2 LYS 72 16.723 -3.364 2.422 584 HG3 LYS 72 HG3 LYS 72 16.126 -1.789 1.893 585 HD2 LYS 72 HD2 LYS 72 15.894 -0.979 4.146 586 HD3 LYS 72 HD3 LYS 72 16.201 -2.592 4.820 587 HE2 LYS 72 HE2 LYS 72 18.468 -2.582 3.852 588 HE3 LYS 72 HE3 LYS 72 18.211 -0.938 3.252 589 HZ1 LYS 72 HZ1 LYS 72 17.858 -1.617 6.097 590 HZ2 LYS 72 HZ2 LYS 72 18.148 -0.130 5.424 591 HZ3 LYS 72 HZ3 LYS 72 19.344 -1.285 5.486 592 H LYS 73 H LYS 73 13.844 -4.500 5.931 593 HA LYS 73 HA LYS 73 11.246 -5.737 5.418 594 HB2 LYS 73 HB2 LYS 73 12.782 -6.309 7.368 595 HB3 LYS 73 HB3 LYS 73 12.406 -4.736 8.061 596 HG2 LYS 73 HG2 LYS 73 10.165 -5.312 8.502 597 HG3 LYS 73 HG3 LYS 73 10.094 -6.397 7.125 598 HD2 LYS 73 HD2 LYS 73 9.952 -7.853 8.898 599 HD3 LYS 73 HD3 LYS 73 11.635 -8.005 8.432 600 HE2 LYS 73 HE2 LYS 73 10.466 -6.336 10.688 601 HE3 LYS 73 HE3 LYS 73 11.279 -7.892 10.850 602 HZ1 LYS 73 HZ1 LYS 73 12.490 -5.308 10.158 603 HZ2 LYS 73 HZ2 LYS 73 13.310 -6.709 9.868 604 HZ3 LYS 73 HZ3 LYS 73 12.857 -6.283 11.405 605 H ILE 74 H ILE 74 9.634 -4.503 4.816 606 HA ILE 74 HA ILE 74 9.569 -1.629 5.400 607 HB ILE 74 HB ILE 74 7.872 -1.489 3.785 608 HG12 ILE 74 HG12 ILE 74 7.364 -3.786 2.472 609 HG13 ILE 74 HG13 ILE 74 7.691 -4.512 4.025 610 HG21 ILE 74 HG21 ILE 74 9.916 -3.462 2.691 611 HG22 ILE 74 HG22 ILE 74 9.062 -2.179 1.810 612 HG23 ILE 74 HG23 ILE 74 10.261 -1.769 3.055 613 HD11 ILE 74 HD11 ILE 74 5.808 -3.401 5.029 614 HD12 ILE 74 HD12 ILE 74 5.647 -2.318 3.621 615 HD13 ILE 74 HD13 ILE 74 5.277 -4.040 3.468 616 H ASN 75 H ASN 75 7.254 -0.741 5.871 617 HA ASN 75 HA ASN 75 5.847 -2.361 7.926 618 HB2 ASN 75 HB2 ASN 75 5.539 -0.164 9.156 619 HB3 ASN 75 HB3 ASN 75 7.099 -0.979 9.369 620 HD21 ASN 75 HD21 ASN 75 5.401 1.665 7.632 621 HD22 ASN 75 HD22 ASN 75 6.848 2.641 7.346 622 H VAL 76 H VAL 76 3.617 -1.821 8.146 623 HA VAL 76 HA VAL 76 2.505 0.049 6.138 624 HB VAL 76 HB VAL 76 1.574 -2.783 6.783 625 HG11 VAL 76 HG11 VAL 76 0.411 -0.663 4.911 626 HG12 VAL 76 HG12 VAL 76 -0.088 -2.363 4.910 627 HG13 VAL 76 HG13 VAL 76 -0.375 -1.371 6.331 628 HG21 VAL 76 HG21 VAL 76 2.029 -3.443 4.550 629 HG22 VAL 76 HG22 VAL 76 2.499 -1.809 4.079 630 HG23 VAL 76 HG23 VAL 76 3.516 -2.754 5.199 631 H GLU 77 H GLU 77 0.590 1.120 6.912 632 HA GLU 77 HA GLU 77 -0.693 0.384 9.380 633 HB2 GLU 77 HB2 GLU 77 -0.484 2.573 10.434 634 HB3 GLU 77 HB3 GLU 77 1.001 1.609 10.512 635 HG2 GLU 77 HG2 GLU 77 1.679 3.138 8.501 636 HG3 GLU 77 HG3 GLU 77 0.363 4.180 9.058 637 H LEU 78 H LEU 78 -2.692 1.880 9.747 638 HA LEU 78 HA LEU 78 -3.823 2.501 7.117 639 HB2 LEU 78 HB2 LEU 78 -4.722 1.374 9.566 640 HB3 LEU 78 HB3 LEU 78 -5.397 2.971 9.604 641 HG LEU 78 HG LEU 78 -6.814 1.175 8.735 642 HD11 LEU 78 HD11 LEU 78 -6.323 3.315 6.609 643 HD12 LEU 78 HD12 LEU 78 -7.271 3.541 8.102 644 HD13 LEU 78 HD13 LEU 78 -7.815 2.393 6.872 645 HD21 LEU 78 HD21 LEU 78 -5.223 1.180 6.158 646 HD22 LEU 78 HD22 LEU 78 -6.477 0.052 6.693 647 HD23 LEU 78 HD23 LEU 78 -4.888 0.052 7.497 648 H THR 79 H THR 79 -4.759 4.551 6.704 649 HA THR 79 HA THR 79 -4.202 6.746 8.584 650 HB THR 79 HB THR 79 -3.398 8.086 6.510 651 HG1 THR 79 HG1 THR 79 -3.507 5.688 5.396 652 HG21 THR 79 HG21 THR 79 -1.037 7.535 6.966 653 HG22 THR 79 HG22 THR 79 -1.541 6.097 7.868 654 HG23 THR 79 HG23 THR 79 -1.982 7.727 8.435 655 H VAL 80 H VAL 80 -5.646 8.330 8.497 656 HA VAL 80 HA VAL 80 -7.660 9.255 8.265 657 HB VAL 80 HB VAL 80 -6.886 8.955 5.345 658 HG11 VAL 80 HG11 VAL 80 -9.306 9.505 5.719 659 HG12 VAL 80 HG12 VAL 80 -8.807 10.969 6.580 660 HG13 VAL 80 HG13 VAL 80 -8.398 10.749 4.858 661 HG21 VAL 80 HG21 VAL 80 -6.085 11.283 5.610 662 HG22 VAL 80 HG22 VAL 80 -6.404 11.199 7.355 663 HG23 VAL 80 HG23 VAL 80 -5.169 10.158 6.609 664 H GLY 81 H GLY 81 -8.872 7.582 9.278 665 HA2 GLY 81 HA2 GLY 81 -11.187 6.823 8.022 666 HA3 GLY 81 HA3 GLY 81 -10.061 5.534 7.610 667 H GLY 82 H GLY 82 -11.612 7.291 10.263 668 HA2 GLY 82 HA2 GLY 82 -10.976 5.177 12.260 669 HA3 GLY 82 HA3 GLY 82 -11.667 6.796 12.580 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -12.409 10.181 3.713 2 HA2 GLY 1 HA2 GLY 1 -15.317 10.354 3.216 3 HA3 GLY 1 HA3 GLY 1 -14.092 10.842 2.020 4 H ASN 2 H ASN 2 -15.655 9.122 0.928 5 HA ASN 2 HA ASN 2 -15.418 6.396 1.463 6 HB2 ASN 2 HB2 ASN 2 -16.345 6.044 -0.784 7 HB3 ASN 2 HB3 ASN 2 -17.165 7.389 -0.002 8 HD21 ASN 2 HD21 ASN 2 -15.022 6.506 -2.770 9 HD22 ASN 2 HD22 ASN 2 -15.222 8.068 -3.488 10 H ARG 3 H ARG 3 -12.678 8.000 0.788 11 HA ARG 3 HA ARG 3 -11.567 5.609 -0.604 12 HB2 ARG 3 HB2 ARG 3 -11.848 7.613 -2.143 13 HB3 ARG 3 HB3 ARG 3 -10.647 8.426 -1.111 14 HG2 ARG 3 HG2 ARG 3 -9.351 6.055 -1.691 15 HG3 ARG 3 HG3 ARG 3 -10.359 6.232 -3.132 16 HD2 ARG 3 HD2 ARG 3 -8.164 7.964 -2.058 17 HD3 ARG 3 HD3 ARG 3 -8.383 7.261 -3.695 18 HE ARG 3 HE ARG 3 -10.512 9.012 -3.393 19 HH11 ARG 3 HH11 ARG 3 -6.933 9.556 -3.482 20 HH12 ARG 3 HH12 ARG 3 -7.201 11.261 -3.645 21 HH21 ARG 3 HH21 ARG 3 -10.617 11.241 -3.774 22 HH22 ARG 3 HH22 ARG 3 -9.178 12.209 -3.596 23 H PHE 4 H PHE 4 -10.286 4.695 0.719 24 HA PHE 4 HA PHE 4 -8.991 6.249 2.913 25 HB2 PHE 4 HB2 PHE 4 -9.443 3.260 2.634 26 HB3 PHE 4 HB3 PHE 4 -8.933 4.116 4.088 27 HD1 PHE 4 HD2 PHE 4 -10.674 5.977 4.960 28 HD2 PHE 4 HD1 PHE 4 -11.742 2.794 2.272 29 HE1 PHE 4 HE2 PHE 4 -13.032 6.199 5.658 30 HE2 PHE 4 HE1 PHE 4 -14.104 2.960 3.055 31 HZ PHE 4 HZ PHE 4 -14.748 4.677 4.707 32 H ILE 5 H ILE 5 -6.791 5.368 3.542 33 HA ILE 5 HA ILE 5 -5.176 4.646 1.214 34 HB ILE 5 HB ILE 5 -4.869 7.107 2.959 35 HG12 ILE 5 HG12 ILE 5 -4.702 7.078 -0.052 36 HG13 ILE 5 HG13 ILE 5 -6.299 7.081 0.631 37 HG21 ILE 5 HG21 ILE 5 -2.815 6.022 0.982 38 HG22 ILE 5 HG22 ILE 5 -2.744 7.618 1.750 39 HG23 ILE 5 HG23 ILE 5 -2.612 6.178 2.737 40 HD11 ILE 5 HD11 ILE 5 -5.585 9.326 0.149 41 HD12 ILE 5 HD12 ILE 5 -5.936 9.068 1.863 42 HD13 ILE 5 HD13 ILE 5 -4.237 9.195 1.298 43 H VAL 6 H VAL 6 -3.241 3.675 1.689 44 HA VAL 6 HA VAL 6 -2.803 2.699 4.470 45 HB VAL 6 HB VAL 6 -2.372 1.283 1.798 46 HG11 VAL 6 HG11 VAL 6 -1.856 0.344 4.654 47 HG12 VAL 6 HG12 VAL 6 -1.791 -0.693 3.218 48 HG13 VAL 6 HG13 VAL 6 -0.637 0.635 3.397 49 HG21 VAL 6 HG21 VAL 6 -4.760 1.319 2.437 50 HG22 VAL 6 HG22 VAL 6 -4.097 -0.307 2.617 51 HG23 VAL 6 HG23 VAL 6 -4.345 0.708 4.048 52 H PHE 7 H PHE 7 -0.765 3.006 5.219 53 HA PHE 7 HA PHE 7 1.163 4.584 3.602 54 HB2 PHE 7 HB2 PHE 7 0.396 5.480 5.818 55 HB3 PHE 7 HB3 PHE 7 0.943 4.030 6.600 56 HD1 PHE 7 HD1 PHE 7 1.987 7.165 4.947 57 HD2 PHE 7 HD2 PHE 7 3.444 3.564 6.832 58 HE1 PHE 7 HE1 PHE 7 4.227 8.161 5.174 59 HE2 PHE 7 HE2 PHE 7 5.639 4.602 7.132 60 HZ PHE 7 HZ PHE 7 6.047 6.869 6.293 61 H VAL 8 H VAL 8 3.274 3.774 3.332 62 HA VAL 8 HA VAL 8 3.952 1.262 4.695 63 HB VAL 8 HB VAL 8 4.468 1.649 1.739 64 HG11 VAL 8 HG11 VAL 8 4.423 -0.888 3.421 65 HG12 VAL 8 HG12 VAL 8 4.915 -0.766 1.732 66 HG13 VAL 8 HG13 VAL 8 5.880 -0.017 3.020 67 HG21 VAL 8 HG21 VAL 8 2.031 1.546 1.901 68 HG22 VAL 8 HG22 VAL 8 2.645 0.039 1.246 69 HG23 VAL 8 HG23 VAL 8 2.131 0.112 2.945 70 H GLY 9 H GLY 9 6.199 1.370 5.427 71 HA2 GLY 9 HA2 GLY 9 7.833 3.614 4.264 72 HA3 GLY 9 HA3 GLY 9 7.665 3.449 5.959 73 H SER 10 H SER 10 10.135 3.356 5.304 74 HA SER 10 HA SER 10 12.059 2.311 5.419 75 HB2 SER 10 HB2 SER 10 10.283 0.513 6.822 76 HB3 SER 10 HB3 SER 10 11.447 -0.451 5.945 77 HG SER 10 HG SER 10 11.892 0.416 8.142 78 H LEU 11 H LEU 11 10.225 2.128 2.971 79 HA LEU 11 HA LEU 11 10.702 -0.107 1.439 80 HB2 LEU 11 HB2 LEU 11 10.301 2.787 0.686 81 HB3 LEU 11 HB3 LEU 11 10.661 1.613 -0.560 82 HG LEU 11 HG LEU 11 8.735 0.277 -0.070 83 HD11 LEU 11 HD11 LEU 11 6.954 1.200 1.528 84 HD12 LEU 11 HD12 LEU 11 8.157 2.305 2.186 85 HD13 LEU 11 HD13 LEU 11 8.358 0.549 2.364 86 HD21 LEU 11 HD21 LEU 11 8.096 3.231 -0.259 87 HD22 LEU 11 HD22 LEU 11 6.991 1.894 -0.687 88 HD23 LEU 11 HD23 LEU 11 8.489 2.101 -1.584 89 HA PRO 12 HA PRO 12 14.946 -0.367 0.394 90 HB2 PRO 12 HB2 PRO 12 14.700 -1.282 -2.293 91 HB3 PRO 12 HB3 PRO 12 14.790 -2.276 -0.827 92 HG2 PRO 12 HG2 PRO 12 12.418 -1.535 -2.456 93 HG3 PRO 12 HG3 PRO 12 12.620 -2.927 -1.363 94 HD2 PRO 12 HD2 PRO 12 11.110 -0.726 -0.775 95 HD3 PRO 12 HD3 PRO 12 11.825 -1.840 0.439 96 H ARG 13 H ARG 13 16.621 0.629 -0.901 97 HA ARG 13 HA ARG 13 15.836 3.319 -1.689 98 HB2 ARG 13 HB2 ARG 13 18.530 1.949 -1.947 99 HB3 ARG 13 HB3 ARG 13 18.187 3.674 -2.174 100 HG2 ARG 13 HG2 ARG 13 17.028 3.120 0.321 101 HG3 ARG 13 HG3 ARG 13 18.478 2.108 0.326 102 HD2 ARG 13 HD2 ARG 13 19.874 4.074 -0.034 103 HD3 ARG 13 HD3 ARG 13 18.442 5.080 -0.338 104 HE ARG 13 HE ARG 13 18.106 3.866 2.188 105 HH11 ARG 13 HH11 ARG 13 20.342 6.223 0.761 106 HH12 ARG 13 HH12 ARG 13 20.648 7.018 2.274 107 HH21 ARG 13 HH21 ARG 13 18.277 5.103 4.054 108 HH22 ARG 13 HH22 ARG 13 19.516 6.304 4.226 109 H ASP 14 H ASP 14 16.754 0.355 -3.393 110 HA ASP 14 HA ASP 14 16.335 1.653 -5.985 111 HB2 ASP 14 HB2 ASP 14 18.007 -0.405 -5.001 112 HB3 ASP 14 HB3 ASP 14 16.945 -1.167 -6.177 113 H ILE 15 H ILE 15 14.046 1.304 -4.169 114 HA ILE 15 HA ILE 15 12.326 -0.777 -4.909 115 HB ILE 15 HB ILE 15 11.972 0.613 -2.969 116 HG12 ILE 15 HG12 ILE 15 9.549 1.138 -3.244 117 HG13 ILE 15 HG13 ILE 15 9.701 0.774 -4.978 118 HG21 ILE 15 HG21 ILE 15 12.749 2.812 -3.994 119 HG22 ILE 15 HG22 ILE 15 11.168 2.915 -4.776 120 HG23 ILE 15 HG23 ILE 15 11.309 2.892 -2.999 121 HD11 ILE 15 HD11 ILE 15 9.931 -1.081 -2.606 122 HD12 ILE 15 HD12 ILE 15 8.786 -1.112 -3.954 123 HD13 ILE 15 HD13 ILE 15 10.449 -1.566 -4.253 124 H THR 16 H THR 16 10.812 -1.096 -6.638 125 HA THR 16 HA THR 16 10.722 0.956 -8.743 126 HB THR 16 HB THR 16 10.609 -1.100 -10.261 127 HG1 THR 16 HG1 THR 16 11.619 -2.917 -9.462 128 HG21 THR 16 HG21 THR 16 13.228 -0.491 -8.820 129 HG22 THR 16 HG22 THR 16 12.548 0.452 -10.149 130 HG23 THR 16 HG23 THR 16 13.068 -1.222 -10.424 131 H ALA 17 H ALA 17 8.757 1.145 -9.826 132 HA ALA 17 HA ALA 17 6.479 0.870 -8.103 133 HB1 ALA 17 HB1 ALA 17 5.194 1.606 -10.073 134 HB2 ALA 17 HB2 ALA 17 6.669 2.583 -9.894 135 HB3 ALA 17 HB3 ALA 17 6.595 1.293 -11.117 136 H VAL 18 H VAL 18 7.853 -1.281 -10.573 137 HA VAL 18 HA VAL 18 5.533 -2.902 -10.869 138 HB VAL 18 HB VAL 18 7.424 -3.060 -12.430 139 HG11 VAL 18 HG11 VAL 18 9.312 -2.844 -10.803 140 HG12 VAL 18 HG12 VAL 18 8.996 -4.508 -10.254 141 HG13 VAL 18 HG13 VAL 18 9.509 -4.201 -11.915 142 HG21 VAL 18 HG21 VAL 18 5.937 -5.002 -12.333 143 HG22 VAL 18 HG22 VAL 18 7.595 -5.510 -12.666 144 HG23 VAL 18 HG23 VAL 18 6.924 -5.738 -11.040 145 H GLU 19 H GLU 19 8.091 -2.895 -8.388 146 HA GLU 19 HA GLU 19 7.291 -5.382 -7.143 147 HB2 GLU 19 HB2 GLU 19 8.789 -2.895 -6.165 148 HB3 GLU 19 HB3 GLU 19 8.640 -4.359 -5.246 149 HG2 GLU 19 HG2 GLU 19 9.793 -4.316 -8.081 150 HG3 GLU 19 HG3 GLU 19 10.763 -4.006 -6.674 151 H LEU 20 H LEU 20 6.583 -1.937 -6.613 152 HA LEU 20 HA LEU 20 4.937 -2.272 -4.329 153 HB2 LEU 20 HB2 LEU 20 4.925 -0.120 -6.491 154 HB3 LEU 20 HB3 LEU 20 4.041 -0.013 -4.975 155 HG LEU 20 HG LEU 20 7.060 -0.181 -5.306 156 HD11 LEU 20 HD11 LEU 20 5.259 1.985 -4.187 157 HD12 LEU 20 HD12 LEU 20 6.032 2.022 -5.789 158 HD13 LEU 20 HD13 LEU 20 7.025 2.053 -4.312 159 HD21 LEU 20 HD21 LEU 20 7.035 0.269 -2.768 160 HD22 LEU 20 HD22 LEU 20 6.613 -1.375 -3.279 161 HD23 LEU 20 HD23 LEU 20 5.335 -0.241 -2.837 162 H GLN 21 H GLN 21 3.906 -1.910 -7.799 163 HA GLN 21 HA GLN 21 1.168 -2.317 -7.235 164 HB2 GLN 21 HB2 GLN 21 2.825 -2.839 -9.747 165 HB3 GLN 21 HB3 GLN 21 1.067 -2.888 -9.681 166 HG2 GLN 21 HG2 GLN 21 1.772 -0.414 -8.477 167 HG3 GLN 21 HG3 GLN 21 2.930 -0.591 -9.767 168 HE21 GLN 21 HE21 GLN 21 2.044 1.230 -10.879 169 HE22 GLN 21 HE22 GLN 21 0.443 1.222 -11.577 170 H ASN 22 H ASN 22 3.813 -4.675 -7.935 171 HA ASN 22 HA ASN 22 2.038 -6.935 -8.042 172 HB2 ASN 22 HB2 ASN 22 4.254 -7.098 -9.035 173 HB3 ASN 22 HB3 ASN 22 5.035 -6.648 -7.506 174 HD21 ASN 22 HD21 ASN 22 5.738 -8.315 -6.186 175 HD22 ASN 22 HD22 ASN 22 5.016 -9.915 -6.224 176 H HIS 23 H HIS 23 3.905 -5.499 -5.248 177 HA HIS 23 HA HIS 23 3.204 -7.704 -3.580 178 HB2 HIS 23 HB2 HIS 23 4.776 -5.320 -3.262 179 HB3 HIS 23 HB3 HIS 23 3.599 -5.397 -1.949 180 HD2 HIS 23 HD2 HIS 23 3.415 -8.022 -0.793 181 HE1 HIS 23 HE1 HIS 23 7.439 -9.069 -1.728 182 HE2 HIS 23 HE2 HIS 23 5.360 -9.719 -0.379 183 H PHE 24 H PHE 24 1.342 -4.951 -4.550 184 HA PHE 24 HA PHE 24 -0.755 -5.660 -2.535 185 HB2 PHE 24 HB2 PHE 24 -0.278 -3.062 -4.009 186 HB3 PHE 24 HB3 PHE 24 -1.594 -3.379 -2.876 187 HD1 PHE 24 HD1 PHE 24 -0.897 -4.245 -0.472 188 HD2 PHE 24 HD2 PHE 24 1.722 -2.115 -3.149 189 HE1 PHE 24 HE1 PHE 24 0.558 -3.598 1.439 190 HE2 PHE 24 HE2 PHE 24 3.165 -1.479 -1.286 191 HZ PHE 24 HZ PHE 24 2.600 -2.245 1.045 192 H LYS 25 H LYS 25 0.006 -6.482 -5.589 193 HA LYS 25 HA LYS 25 -2.160 -5.909 -7.205 194 HB2 LYS 25 HB2 LYS 25 0.058 -7.730 -7.242 195 HB3 LYS 25 HB3 LYS 25 -1.310 -8.628 -7.752 196 HG2 LYS 25 HG2 LYS 25 -0.537 -5.926 -8.926 197 HG3 LYS 25 HG3 LYS 25 0.073 -7.458 -9.541 198 HD2 LYS 25 HD2 LYS 25 -2.130 -8.189 -10.173 199 HD3 LYS 25 HD3 LYS 25 -2.898 -6.786 -9.400 200 HE2 LYS 25 HE2 LYS 25 -0.823 -6.519 -11.617 201 HE3 LYS 25 HE3 LYS 25 -2.557 -6.681 -11.946 202 HZ1 LYS 25 HZ1 LYS 25 -1.888 -4.351 -11.863 203 HZ2 LYS 25 HZ2 LYS 25 -1.449 -4.491 -10.285 204 HZ3 LYS 25 HZ3 LYS 25 -2.983 -4.720 -10.709 205 H ASN 26 H ASN 26 -2.007 -8.542 -4.779 206 HA ASN 26 HA ASN 26 -4.465 -9.807 -5.408 207 HB2 ASN 26 HB2 ASN 26 -2.715 -10.666 -3.864 208 HB3 ASN 26 HB3 ASN 26 -3.140 -9.426 -2.689 209 HD21 ASN 26 HD21 ASN 26 -3.146 -11.971 -1.798 210 HD22 ASN 26 HD22 ASN 26 -4.759 -12.533 -1.555 211 H SER 27 H SER 27 -3.793 -7.230 -2.982 212 HA SER 27 HA SER 27 -6.510 -6.683 -2.340 213 HB2 SER 27 HB2 SER 27 -5.286 -4.447 -1.535 214 HB3 SER 27 HB3 SER 27 -5.090 -5.970 -0.695 215 HG SER 27 HG SER 27 -3.300 -5.114 -2.727 216 H SER 28 H SER 28 -4.567 -5.641 -5.032 217 HA SER 28 HA SER 28 -4.813 -4.259 -6.728 218 HB2 SER 28 HB2 SER 28 -6.687 -5.940 -6.987 219 HB3 SER 28 HB3 SER 28 -7.792 -4.617 -6.566 220 HG SER 28 HG SER 28 -7.234 -4.999 -8.879 221 HA PRO 29 HA PRO 29 -5.698 -0.490 -4.172 222 HB2 PRO 29 HB2 PRO 29 -3.376 0.846 -4.683 223 HB3 PRO 29 HB3 PRO 29 -3.454 -0.467 -3.475 224 HG2 PRO 29 HG2 PRO 29 -2.618 -0.688 -6.388 225 HG3 PRO 29 HG3 PRO 29 -1.707 -1.253 -4.950 226 HD2 PRO 29 HD2 PRO 29 -3.237 -2.954 -6.338 227 HD3 PRO 29 HD3 PRO 29 -3.261 -2.990 -4.545 228 H ASP 30 H ASP 30 -5.790 1.828 -4.921 229 HA ASP 30 HA ASP 30 -6.700 1.919 -7.715 230 HB2 ASP 30 HB2 ASP 30 -8.190 2.670 -5.846 231 HB3 ASP 30 HB3 ASP 30 -7.021 3.946 -5.467 232 H GLN 31 H GLN 31 -4.247 3.198 -5.505 233 HA GLN 31 HA GLN 31 -2.789 4.227 -7.799 234 HB2 GLN 31 HB2 GLN 31 -4.239 5.986 -6.014 235 HB3 GLN 31 HB3 GLN 31 -2.540 6.152 -5.618 236 HG2 GLN 31 HG2 GLN 31 -2.331 7.583 -7.293 237 HG3 GLN 31 HG3 GLN 31 -2.567 6.279 -8.444 238 HE21 GLN 31 HE21 GLN 31 -5.225 5.681 -8.552 239 HE22 GLN 31 HE22 GLN 31 -6.158 7.129 -8.812 240 H ILE 32 H ILE 32 -0.520 4.757 -7.226 241 HA ILE 32 HA ILE 32 0.581 3.490 -4.795 242 HB ILE 32 HB ILE 32 1.328 2.843 -7.695 243 HG12 ILE 32 HG12 ILE 32 1.256 0.429 -6.429 244 HG13 ILE 32 HG13 ILE 32 0.072 1.263 -5.456 245 HG21 ILE 32 HG21 ILE 32 3.404 3.234 -6.434 246 HG22 ILE 32 HG22 ILE 32 2.862 2.091 -5.189 247 HG23 ILE 32 HG23 ILE 32 3.206 1.540 -6.845 248 HD11 ILE 32 HD11 ILE 32 -0.092 1.261 -8.490 249 HD12 ILE 32 HD12 ILE 32 -0.695 -0.090 -7.528 250 HD13 ILE 32 HD13 ILE 32 -1.403 1.528 -7.325 251 H ARG 33 H ARG 33 1.470 5.356 -3.927 252 HA ARG 33 HA ARG 33 2.933 7.175 -5.798 253 HB2 ARG 33 HB2 ARG 33 0.701 7.914 -4.710 254 HB3 ARG 33 HB3 ARG 33 1.608 8.056 -3.210 255 HG2 ARG 33 HG2 ARG 33 2.880 9.855 -4.020 256 HG3 ARG 33 HG3 ARG 33 2.708 9.348 -5.706 257 HD2 ARG 33 HD2 ARG 33 1.422 11.323 -5.488 258 HD3 ARG 33 HD3 ARG 33 0.299 9.974 -5.664 259 HE ARG 33 HE ARG 33 0.743 10.542 -2.871 260 HH11 ARG 33 HH11 ARG 33 -1.040 11.780 -5.729 261 HH12 ARG 33 HH12 ARG 33 -2.018 12.829 -4.806 262 HH21 ARG 33 HH21 ARG 33 -0.639 11.824 -1.654 263 HH22 ARG 33 HH22 ARG 33 -1.980 12.648 -2.399 264 H LEU 34 H LEU 34 4.990 6.550 -5.597 265 HA LEU 34 HA LEU 34 6.106 5.698 -3.009 266 HB2 LEU 34 HB2 LEU 34 6.387 4.322 -4.980 267 HB3 LEU 34 HB3 LEU 34 7.135 5.607 -5.876 268 HG LEU 34 HG LEU 34 8.600 3.651 -4.879 269 HD11 LEU 34 HD11 LEU 34 9.461 6.564 -4.456 270 HD12 LEU 34 HD12 LEU 34 9.501 5.694 -5.991 271 HD13 LEU 34 HD13 LEU 34 10.517 5.151 -4.661 272 HD21 LEU 34 HD21 LEU 34 9.398 3.886 -2.681 273 HD22 LEU 34 HD22 LEU 34 7.632 3.937 -2.594 274 HD23 LEU 34 HD23 LEU 34 8.591 5.417 -2.403 275 H ARG 35 H ARG 35 7.290 7.011 -1.734 276 HA ARG 35 HA ARG 35 8.492 9.486 -2.843 277 HB2 ARG 35 HB2 ARG 35 6.646 9.114 -0.542 278 HB3 ARG 35 HB3 ARG 35 8.086 10.031 -0.145 279 HG2 ARG 35 HG2 ARG 35 6.245 10.736 -2.459 280 HG3 ARG 35 HG3 ARG 35 6.161 11.429 -0.835 281 HD2 ARG 35 HD2 ARG 35 8.534 12.186 -1.050 282 HD3 ARG 35 HD3 ARG 35 8.526 11.671 -2.751 283 HE ARG 35 HE ARG 35 6.312 13.406 -2.263 284 HH11 ARG 35 HH11 ARG 35 9.878 13.646 -2.682 285 HH12 ARG 35 HH12 ARG 35 9.828 15.367 -2.559 286 HH21 ARG 35 HH21 ARG 35 6.306 15.581 -2.543 287 HH22 ARG 35 HH22 ARG 35 7.756 16.498 -2.850 288 H ALA 36 H ALA 36 10.339 8.213 -3.297 289 HA ALA 36 HA ALA 36 11.760 6.670 -1.361 290 HB1 ALA 36 HB1 ALA 36 12.178 6.422 -3.758 291 HB2 ALA 36 HB2 ALA 36 12.768 8.091 -3.851 292 HB3 ALA 36 HB3 ALA 36 13.664 6.889 -2.912 293 H ASP 37 H ASP 37 11.423 10.079 -1.753 294 HA ASP 37 HA ASP 37 13.702 11.282 -0.752 295 HB2 ASP 37 HB2 ASP 37 10.749 11.811 -0.307 296 HB3 ASP 37 HB3 ASP 37 11.978 12.868 0.382 297 H LYS 38 H LYS 38 11.241 9.459 0.964 298 HA LYS 38 HA LYS 38 12.814 9.506 3.498 299 HB2 LYS 38 HB2 LYS 38 9.859 9.850 3.056 300 HB3 LYS 38 HB3 LYS 38 10.451 9.260 4.585 301 HG2 LYS 38 HG2 LYS 38 11.147 11.976 3.357 302 HG3 LYS 38 HG3 LYS 38 9.915 11.661 4.576 303 HD2 LYS 38 HD2 LYS 38 11.592 12.300 5.979 304 HD3 LYS 38 HD3 LYS 38 11.917 10.564 5.930 305 HE2 LYS 38 HE2 LYS 38 13.507 11.224 3.912 306 HE3 LYS 38 HE3 LYS 38 13.338 12.855 4.540 307 HZ1 LYS 38 HZ1 LYS 38 14.077 11.783 6.734 308 HZ2 LYS 38 HZ2 LYS 38 15.210 11.977 5.576 309 HZ3 LYS 38 HZ3 LYS 38 14.554 10.504 5.819 310 H GLY 39 H GLY 39 11.482 7.607 0.995 311 HA2 GLY 39 HA2 GLY 39 11.665 5.317 0.694 312 HA3 GLY 39 HA3 GLY 39 12.266 5.134 2.354 313 H ILE 40 H ILE 40 9.238 6.817 1.363 314 HA ILE 40 HA ILE 40 7.679 4.746 2.728 315 HB ILE 40 HB ILE 40 6.302 6.578 3.570 316 HG12 ILE 40 HG12 ILE 40 8.391 8.380 2.357 317 HG13 ILE 40 HG13 ILE 40 6.736 8.225 1.781 318 HG21 ILE 40 HG21 ILE 40 9.254 6.964 4.314 319 HG22 ILE 40 HG22 ILE 40 7.878 7.440 5.298 320 HG23 ILE 40 HG23 ILE 40 8.172 5.732 4.987 321 HD11 ILE 40 HD11 ILE 40 6.885 10.278 2.995 322 HD12 ILE 40 HD12 ILE 40 5.897 9.150 3.940 323 HD13 ILE 40 HD13 ILE 40 7.584 9.481 4.412 324 H ALA 41 H ALA 41 5.300 4.970 1.978 325 HA ALA 41 HA ALA 41 4.894 6.133 -0.650 326 HB1 ALA 41 HB1 ALA 41 4.683 3.125 -0.220 327 HB2 ALA 41 HB2 ALA 41 4.223 4.014 -1.693 328 HB3 ALA 41 HB3 ALA 41 5.918 3.944 -1.207 329 H PHE 42 H PHE 42 2.635 5.750 -1.330 330 HA PHE 42 HA PHE 42 0.704 5.294 0.886 331 HB2 PHE 42 HB2 PHE 42 0.623 7.560 -1.158 332 HB3 PHE 42 HB3 PHE 42 -0.526 7.270 0.135 333 HD1 PHE 42 HD2 PHE 42 2.908 8.445 -0.676 334 HD2 PHE 42 HD1 PHE 42 -0.025 7.883 2.444 335 HE1 PHE 42 HE2 PHE 42 4.270 9.861 0.870 336 HE2 PHE 42 HE1 PHE 42 1.307 9.280 3.952 337 HZ PHE 42 HZ PHE 42 3.479 10.257 3.196 338 H LEU 43 H LEU 43 -1.145 4.242 0.200 339 HA LEU 43 HA LEU 43 -1.549 3.772 -2.707 340 HB2 LEU 43 HB2 LEU 43 -1.689 1.682 -0.495 341 HB3 LEU 43 HB3 LEU 43 -2.267 1.478 -2.133 342 HG LEU 43 HG LEU 43 0.312 2.294 -2.655 343 HD11 LEU 43 HD11 LEU 43 1.682 0.725 -1.046 344 HD12 LEU 43 HD12 LEU 43 0.333 0.912 0.047 345 HD13 LEU 43 HD13 LEU 43 1.220 2.343 -0.468 346 HD21 LEU 43 HD21 LEU 43 -0.883 0.419 -3.631 347 HD22 LEU 43 HD22 LEU 43 -0.586 -0.552 -2.183 348 HD23 LEU 43 HD23 LEU 43 0.779 0.002 -3.198 349 H GLU 44 H GLU 44 -3.595 4.335 -3.225 350 HA GLU 44 HA GLU 44 -5.518 4.821 -1.010 351 HB2 GLU 44 HB2 GLU 44 -6.040 5.604 -3.866 352 HB3 GLU 44 HB3 GLU 44 -6.547 6.353 -2.356 353 HG2 GLU 44 HG2 GLU 44 -4.049 7.056 -2.099 354 HG3 GLU 44 HG3 GLU 44 -3.872 6.578 -3.776 355 H PHE 45 H PHE 45 -7.734 4.067 -1.254 356 HA PHE 45 HA PHE 45 -8.280 2.031 -3.328 357 HB2 PHE 45 HB2 PHE 45 -8.589 1.583 -0.339 358 HB3 PHE 45 HB3 PHE 45 -9.145 0.513 -1.607 359 HD1 PHE 45 HD2 PHE 45 -6.010 1.882 -0.029 360 HD2 PHE 45 HD1 PHE 45 -7.758 -1.147 -2.534 361 HE1 PHE 45 HE2 PHE 45 -3.943 0.521 0.152 362 HE2 PHE 45 HE1 PHE 45 -5.708 -2.504 -2.340 363 HZ PHE 45 HZ PHE 45 -3.776 -1.665 -0.981 364 H ASP 46 H ASP 46 -10.261 2.635 -4.166 365 HA ASP 46 HA ASP 46 -11.915 4.553 -2.684 366 HB2 ASP 46 HB2 ASP 46 -11.424 4.772 -5.121 367 HB3 ASP 46 HB3 ASP 46 -12.561 3.441 -5.402 368 H ALA 47 H ALA 47 -13.476 3.950 -1.370 369 HA ALA 47 HA ALA 47 -14.305 1.212 -0.997 370 HB1 ALA 47 HB1 ALA 47 -14.037 2.957 0.826 371 HB2 ALA 47 HB2 ALA 47 -15.510 3.728 0.209 372 HB3 ALA 47 HB3 ALA 47 -15.584 2.077 0.850 373 H ASP 48 H ASP 48 -15.470 3.944 -2.905 374 HA ASP 48 HA ASP 48 -18.230 3.009 -3.033 375 HB2 ASP 48 HB2 ASP 48 -17.450 5.381 -3.500 376 HB3 ASP 48 HB3 ASP 48 -16.801 4.785 -5.034 377 H LYS 49 H LYS 49 -15.151 2.238 -4.512 378 HA LYS 49 HA LYS 49 -16.186 1.020 -6.863 379 HB2 LYS 49 HB2 LYS 49 -13.746 1.683 -6.098 380 HB3 LYS 49 HB3 LYS 49 -13.635 -0.003 -5.621 381 HG2 LYS 49 HG2 LYS 49 -14.121 -0.701 -7.946 382 HG3 LYS 49 HG3 LYS 49 -14.558 0.956 -8.359 383 HD2 LYS 49 HD2 LYS 49 -12.179 1.659 -7.824 384 HD3 LYS 49 HD3 LYS 49 -11.764 -0.061 -7.713 385 HE2 LYS 49 HE2 LYS 49 -12.245 -0.452 -9.982 386 HE3 LYS 49 HE3 LYS 49 -13.277 0.976 -10.124 387 HZ1 LYS 49 HZ1 LYS 49 -10.355 1.118 -9.762 388 HZ2 LYS 49 HZ2 LYS 49 -11.378 2.364 -10.165 389 HZ3 LYS 49 HZ3 LYS 49 -11.111 1.145 -11.216 390 H ASP 50 H ASP 50 -16.019 -0.254 -3.528 391 HA ASP 50 HA ASP 50 -17.995 -2.222 -4.111 392 HB2 ASP 50 HB2 ASP 50 -16.182 -3.549 -5.046 393 HB3 ASP 50 HB3 ASP 50 -15.254 -3.385 -3.545 394 H ARG 51 H ARG 51 -19.127 -1.501 -2.420 395 HA ARG 51 HA ARG 51 -18.266 -0.452 0.001 396 HB2 ARG 51 HB2 ARG 51 -20.806 -1.993 -0.713 397 HB3 ARG 51 HB3 ARG 51 -20.542 -1.250 0.852 398 HG2 ARG 51 HG2 ARG 51 -20.094 0.944 -0.435 399 HG3 ARG 51 HG3 ARG 51 -20.910 0.131 -1.796 400 HD2 ARG 51 HD2 ARG 51 -22.682 -0.494 0.037 401 HD3 ARG 51 HD3 ARG 51 -21.907 0.775 1.008 402 HE ARG 51 HE ARG 51 -22.545 1.916 -1.482 403 HH11 ARG 51 HH11 ARG 51 -24.121 0.576 1.418 404 HH12 ARG 51 HH12 ARG 51 -25.688 1.229 1.021 405 HH21 ARG 51 HH21 ARG 51 -24.719 2.718 -2.023 406 HH22 ARG 51 HH22 ARG 51 -26.060 2.167 -1.061 407 H THR 52 H THR 52 -18.258 -3.916 -0.737 408 HA THR 52 HA THR 52 -17.642 -4.305 2.165 409 HB THR 52 HB THR 52 -18.704 -6.579 1.932 410 HG1 THR 52 HG1 THR 52 -20.502 -6.478 0.380 411 HG21 THR 52 HG21 THR 52 -19.707 -4.596 3.127 412 HG22 THR 52 HG22 THR 52 -20.921 -5.682 2.462 413 HG23 THR 52 HG23 THR 52 -20.558 -4.159 1.635 414 H GLY 53 H GLY 53 -16.673 -4.763 -1.112 415 HA2 GLY 53 HA2 GLY 53 -14.641 -6.749 -0.570 416 HA3 GLY 53 HA3 GLY 53 -14.804 -5.742 -2.014 417 H ILE 54 H ILE 54 -14.791 -3.177 -0.493 418 HA ILE 54 HA ILE 54 -12.101 -2.495 -0.586 419 HB ILE 54 HB ILE 54 -13.921 -0.908 -0.647 420 HG12 ILE 54 HG12 ILE 54 -13.135 0.811 1.007 421 HG13 ILE 54 HG13 ILE 54 -12.158 -0.410 1.788 422 HG21 ILE 54 HG21 ILE 54 -15.303 -0.258 1.220 423 HG22 ILE 54 HG22 ILE 54 -15.477 -1.996 1.045 424 HG23 ILE 54 HG23 ILE 54 -14.446 -1.337 2.324 425 HD11 ILE 54 HD11 ILE 54 -11.851 0.442 -1.119 426 HD12 ILE 54 HD12 ILE 54 -10.883 1.047 0.240 427 HD13 ILE 54 HD13 ILE 54 -10.782 -0.661 -0.220 428 H GLN 55 H GLN 55 -14.004 -3.780 2.120 429 HA GLN 55 HA GLN 55 -12.206 -3.426 4.231 430 HB2 GLN 55 HB2 GLN 55 -14.601 -4.128 4.356 431 HB3 GLN 55 HB3 GLN 55 -14.181 -5.718 3.737 432 HG2 GLN 55 HG2 GLN 55 -12.941 -4.607 6.276 433 HG3 GLN 55 HG3 GLN 55 -14.510 -5.402 6.279 434 HE21 GLN 55 HE21 GLN 55 -11.008 -5.945 5.752 435 HE22 GLN 55 HE22 GLN 55 -11.139 -7.685 5.654 436 H ARG 56 H ARG 56 -12.612 -6.336 2.141 437 HA ARG 56 HA ARG 56 -10.359 -7.759 3.079 438 HB2 ARG 56 HB2 ARG 56 -12.058 -7.856 0.595 439 HB3 ARG 56 HB3 ARG 56 -10.454 -8.564 0.474 440 HG2 ARG 56 HG2 ARG 56 -12.010 -10.270 1.088 441 HG3 ARG 56 HG3 ARG 56 -10.858 -10.009 2.399 442 HD2 ARG 56 HD2 ARG 56 -12.980 -10.296 3.423 443 HD3 ARG 56 HD3 ARG 56 -12.616 -8.578 3.554 444 HE ARG 56 HE ARG 56 -14.148 -9.179 1.156 445 HH11 ARG 56 HH11 ARG 56 -14.583 -8.725 4.680 446 HH12 ARG 56 HH12 ARG 56 -16.291 -8.971 4.576 447 HH21 ARG 56 HH21 ARG 56 -16.318 -9.195 1.051 448 HH22 ARG 56 HH22 ARG 56 -17.332 -9.195 2.478 449 H ARG 57 H ARG 57 -10.542 -5.253 0.509 450 HA ARG 57 HA ARG 57 -7.858 -5.562 -0.365 451 HB2 ARG 57 HB2 ARG 57 -9.462 -2.957 -0.276 452 HB3 ARG 57 HB3 ARG 57 -8.006 -3.293 -1.208 453 HG2 ARG 57 HG2 ARG 57 -9.253 -5.210 -2.317 454 HG3 ARG 57 HG3 ARG 57 -10.731 -4.602 -1.569 455 HD2 ARG 57 HD2 ARG 57 -10.752 -2.624 -2.813 456 HD3 ARG 57 HD3 ARG 57 -9.022 -2.704 -3.102 457 HE ARG 57 HE ARG 57 -9.239 -4.274 -4.757 458 HH11 ARG 57 HH11 ARG 57 -12.454 -3.184 -3.660 459 HH12 ARG 57 HH12 ARG 57 -13.288 -4.487 -4.465 460 HH21 ARG 57 HH21 ARG 57 -10.471 -5.762 -6.111 461 HH22 ARG 57 HH22 ARG 57 -12.196 -5.494 -6.266 462 H MET 58 H MET 58 -9.171 -3.395 2.212 463 HA MET 58 HA MET 58 -6.663 -2.298 2.975 464 HB2 MET 58 HB2 MET 58 -9.323 -2.711 4.412 465 HB3 MET 58 HB3 MET 58 -7.904 -2.158 5.303 466 HG2 MET 58 HG2 MET 58 -7.620 -0.320 3.662 467 HG3 MET 58 HG3 MET 58 -9.144 -0.794 2.905 468 HE1 MET 58 HE1 MET 58 -10.567 1.064 3.131 469 HE2 MET 58 HE2 MET 58 -11.465 -0.297 3.879 470 HE3 MET 58 HE3 MET 58 -11.541 1.331 4.591 471 H ASP 59 H ASP 59 -8.399 -5.217 4.165 472 HA ASP 59 HA ASP 59 -6.581 -5.900 6.225 473 HB2 ASP 59 HB2 ASP 59 -8.568 -7.391 4.599 474 HB3 ASP 59 HB3 ASP 59 -7.403 -8.324 5.535 475 H ILE 60 H ILE 60 -6.744 -7.139 2.861 476 HA ILE 60 HA ILE 60 -4.407 -8.730 2.941 477 HB ILE 60 HB ILE 60 -5.950 -7.424 0.682 478 HG12 ILE 60 HG12 ILE 60 -5.815 -10.359 1.520 479 HG13 ILE 60 HG13 ILE 60 -7.024 -9.250 2.143 480 HG21 ILE 60 HG21 ILE 60 -4.796 -8.933 -0.895 481 HG22 ILE 60 HG22 ILE 60 -3.642 -7.843 -0.144 482 HG23 ILE 60 HG23 ILE 60 -3.752 -9.528 0.411 483 HD11 ILE 60 HD11 ILE 60 -8.030 -10.476 0.363 484 HD12 ILE 60 HD12 ILE 60 -7.810 -8.807 -0.200 485 HD13 ILE 60 HD13 ILE 60 -6.714 -10.094 -0.756 486 H ALA 61 H ALA 61 -4.821 -5.248 2.266 487 HA ALA 61 HA ALA 61 -2.114 -4.835 1.403 488 HB1 ALA 61 HB1 ALA 61 -4.208 -2.941 2.571 489 HB2 ALA 61 HB2 ALA 61 -2.670 -2.446 1.872 490 HB3 ALA 61 HB3 ALA 61 -3.883 -3.244 0.850 491 H LEU 62 H LEU 62 -3.804 -4.582 4.571 492 HA LEU 62 HA LEU 62 -1.531 -3.591 6.038 493 HB2 LEU 62 HB2 LEU 62 -4.099 -4.995 6.817 494 HB3 LEU 62 HB3 LEU 62 -2.885 -4.602 8.027 495 HG LEU 62 HG LEU 62 -3.958 -2.453 6.169 496 HD11 LEU 62 HD11 LEU 62 -5.145 -3.345 8.831 497 HD12 LEU 62 HD12 LEU 62 -5.920 -3.463 7.236 498 HD13 LEU 62 HD13 LEU 62 -5.596 -1.876 7.951 499 HD21 LEU 62 HD21 LEU 62 -3.215 -0.934 7.893 500 HD22 LEU 62 HD22 LEU 62 -1.881 -2.046 7.594 501 HD23 LEU 62 HD23 LEU 62 -2.899 -2.264 9.018 502 H LEU 63 H LEU 63 -2.670 -6.812 5.259 503 HA LEU 63 HA LEU 63 -0.944 -8.303 6.925 504 HB2 LEU 63 HB2 LEU 63 -2.470 -8.893 4.391 505 HB3 LEU 63 HB3 LEU 63 -1.514 -10.155 5.148 506 HG LEU 63 HG LEU 63 -3.603 -8.604 6.739 507 HD11 LEU 63 HD11 LEU 63 -4.755 -9.701 4.858 508 HD12 LEU 63 HD12 LEU 63 -5.150 -10.472 6.392 509 HD13 LEU 63 HD13 LEU 63 -3.988 -11.250 5.286 510 HD21 LEU 63 HD21 LEU 63 -1.916 -9.842 8.045 511 HD22 LEU 63 HD22 LEU 63 -2.346 -11.332 7.165 512 HD23 LEU 63 HD23 LEU 63 -3.543 -10.517 8.220 513 H GLN 64 H GLN 64 0.138 -6.290 4.582 514 HA GLN 64 HA GLN 64 2.429 -7.997 3.752 515 HB2 GLN 64 HB2 GLN 64 1.858 -5.168 2.866 516 HB3 GLN 64 HB3 GLN 64 2.982 -6.322 2.159 517 HG2 GLN 64 HG2 GLN 64 -0.037 -6.360 2.003 518 HG3 GLN 64 HG3 GLN 64 1.114 -6.137 0.695 519 HE21 GLN 64 HE21 GLN 64 -1.050 -8.321 1.702 520 HE22 GLN 64 HE22 GLN 64 -0.183 -9.800 1.221 521 H HIS 65 H HIS 65 1.726 -6.248 6.529 522 HA HIS 65 HA HIS 65 3.891 -4.514 6.876 523 HB2 HIS 65 HB2 HIS 65 1.798 -4.434 8.186 524 HB3 HIS 65 HB3 HIS 65 2.102 -6.054 8.805 525 HD2 HIS 65 HD2 HIS 65 2.843 -5.846 11.246 526 HE1 HIS 65 HE1 HIS 65 5.445 -2.485 10.956 527 HE2 HIS 65 HE2 HIS 65 4.515 -4.267 12.529 528 H GLY 66 H GLY 66 5.783 -4.861 7.560 529 HA2 GLY 66 HA2 GLY 66 7.762 -5.796 8.317 530 HA3 GLY 66 HA3 GLY 66 6.870 -7.038 9.134 531 H THR 67 H THR 67 6.338 -6.737 5.627 532 HA THR 67 HA THR 67 7.613 -9.372 5.287 533 HB THR 67 HB THR 67 6.781 -9.204 2.980 534 HG1 THR 67 HG1 THR 67 5.433 -6.836 3.709 535 HG21 THR 67 HG21 THR 67 5.330 -10.111 4.750 536 HG22 THR 67 HG22 THR 67 4.384 -9.280 3.500 537 HG23 THR 67 HG23 THR 67 4.673 -8.527 5.086 538 H LEU 68 H LEU 68 9.284 -9.741 3.702 539 HA LEU 68 HA LEU 68 11.299 -7.590 3.715 540 HB2 LEU 68 HB2 LEU 68 11.521 -10.538 3.042 541 HB3 LEU 68 HB3 LEU 68 12.850 -9.378 3.107 542 HG LEU 68 HG LEU 68 11.239 -10.566 5.377 543 HD11 LEU 68 HD11 LEU 68 13.462 -10.909 6.363 544 HD12 LEU 68 HD12 LEU 68 14.211 -10.149 4.936 545 HD13 LEU 68 HD13 LEU 68 13.284 -11.670 4.766 546 HD21 LEU 68 HD21 LEU 68 11.115 -8.337 6.036 547 HD22 LEU 68 HD22 LEU 68 12.751 -7.971 5.426 548 HD23 LEU 68 HD23 LEU 68 12.541 -8.967 6.876 549 H LEU 69 H LEU 69 11.135 -6.290 2.079 550 HA LEU 69 HA LEU 69 10.541 -7.350 -0.640 551 HB2 LEU 69 HB2 LEU 69 8.840 -5.814 0.187 552 HB3 LEU 69 HB3 LEU 69 10.065 -4.623 0.632 553 HG LEU 69 HG LEU 69 10.634 -4.234 -1.699 554 HD11 LEU 69 HD11 LEU 69 9.303 -5.333 -3.524 555 HD12 LEU 69 HD12 LEU 69 8.593 -6.406 -2.325 556 HD13 LEU 69 HD13 LEU 69 10.327 -6.465 -2.681 557 HD21 LEU 69 HD21 LEU 69 8.479 -3.308 -2.517 558 HD22 LEU 69 HD22 LEU 69 8.777 -2.931 -0.809 559 HD23 LEU 69 HD23 LEU 69 7.627 -4.218 -1.254 560 H LYS 70 H LYS 70 12.399 -7.505 -1.796 561 HA LYS 70 HA LYS 70 14.595 -7.216 -2.445 562 HB2 LYS 70 HB2 LYS 70 13.715 -4.376 -2.251 563 HB3 LYS 70 HB3 LYS 70 15.244 -4.875 -2.913 564 HG2 LYS 70 HG2 LYS 70 14.319 -5.571 -4.851 565 HG3 LYS 70 HG3 LYS 70 13.110 -6.529 -4.018 566 HD2 LYS 70 HD2 LYS 70 11.841 -5.111 -5.208 567 HD3 LYS 70 HD3 LYS 70 11.781 -4.415 -3.613 568 HE2 LYS 70 HE2 LYS 70 11.974 -2.626 -5.252 569 HE3 LYS 70 HE3 LYS 70 13.459 -2.726 -4.270 570 HZ1 LYS 70 HZ1 LYS 70 13.341 -4.052 -6.912 571 HZ2 LYS 70 HZ2 LYS 70 14.625 -3.668 -6.004 572 HZ3 LYS 70 HZ3 LYS 70 13.808 -2.472 -6.749 573 H GLU 71 H GLU 71 14.613 -8.109 -0.097 574 HA GLU 71 HA GLU 71 15.632 -8.424 1.849 575 HB2 GLU 71 HB2 GLU 71 17.946 -6.992 0.519 576 HB3 GLU 71 HB3 GLU 71 18.015 -8.045 1.947 577 HG2 GLU 71 HG2 GLU 71 17.001 -9.884 0.515 578 HG3 GLU 71 HG3 GLU 71 17.332 -8.862 -0.895 579 H LYS 72 H LYS 72 14.094 -5.794 1.634 580 HA LYS 72 HA LYS 72 15.170 -4.523 4.100 581 HB2 LYS 72 HB2 LYS 72 13.977 -3.347 1.567 582 HB3 LYS 72 HB3 LYS 72 13.797 -2.504 3.092 583 HG2 LYS 72 HG2 LYS 72 16.519 -3.441 2.118 584 HG3 LYS 72 HG3 LYS 72 15.843 -1.919 1.568 585 HD2 LYS 72 HD2 LYS 72 16.218 -2.623 4.499 586 HD3 LYS 72 HD3 LYS 72 17.426 -1.768 3.534 587 HE2 LYS 72 HE2 LYS 72 15.921 0.102 3.163 588 HE3 LYS 72 HE3 LYS 72 14.573 -0.776 3.910 589 HZ1 LYS 72 HZ1 LYS 72 15.566 0.780 5.459 590 HZ2 LYS 72 HZ2 LYS 72 17.030 -0.015 5.351 591 HZ3 LYS 72 HZ3 LYS 72 15.712 -0.757 5.981 592 H LYS 73 H LYS 73 13.857 -4.753 5.801 593 HA LYS 73 HA LYS 73 11.226 -5.965 5.421 594 HB2 LYS 73 HB2 LYS 73 12.869 -6.600 7.231 595 HB3 LYS 73 HB3 LYS 73 12.610 -5.022 7.948 596 HG2 LYS 73 HG2 LYS 73 10.328 -5.489 8.495 597 HG3 LYS 73 HG3 LYS 73 10.213 -6.723 7.259 598 HD2 LYS 73 HD2 LYS 73 10.281 -8.026 9.133 599 HD3 LYS 73 HD3 LYS 73 11.974 -8.058 8.683 600 HE2 LYS 73 HE2 LYS 73 10.647 -6.352 10.791 601 HE3 LYS 73 HE3 LYS 73 11.714 -7.752 11.025 602 HZ1 LYS 73 HZ1 LYS 73 12.987 -5.845 11.396 603 HZ2 LYS 73 HZ2 LYS 73 12.518 -5.117 10.011 604 HZ3 LYS 73 HZ3 LYS 73 13.522 -6.439 9.958 605 H ILE 74 H ILE 74 9.761 -4.598 4.762 606 HA ILE 74 HA ILE 74 9.722 -1.767 5.600 607 HB ILE 74 HB ILE 74 7.995 -1.525 3.941 608 HG12 ILE 74 HG12 ILE 74 8.156 -4.540 3.578 609 HG13 ILE 74 HG13 ILE 74 6.778 -3.586 4.125 610 HG21 ILE 74 HG21 ILE 74 10.265 -3.177 2.736 611 HG22 ILE 74 HG22 ILE 74 9.402 -1.812 2.004 612 HG23 ILE 74 HG23 ILE 74 10.487 -1.540 3.375 613 HD11 ILE 74 HD11 ILE 74 8.025 -3.524 1.355 614 HD12 ILE 74 HD12 ILE 74 6.487 -4.195 1.845 615 HD13 ILE 74 HD13 ILE 74 6.721 -2.438 1.913 616 H ASN 75 H ASN 75 7.556 -0.820 6.077 617 HA ASN 75 HA ASN 75 5.989 -2.508 7.986 618 HB2 ASN 75 HB2 ASN 75 5.642 -0.357 9.200 619 HB3 ASN 75 HB3 ASN 75 7.325 -0.929 9.269 620 HD21 ASN 75 HD21 ASN 75 5.133 1.636 8.230 621 HD22 ASN 75 HD22 ASN 75 6.319 2.550 7.273 622 H VAL 76 H VAL 76 3.698 -1.947 8.164 623 HA VAL 76 HA VAL 76 2.649 -0.128 6.090 624 HB VAL 76 HB VAL 76 1.551 -2.890 6.745 625 HG11 VAL 76 HG11 VAL 76 -0.005 -2.411 4.828 626 HG12 VAL 76 HG12 VAL 76 -0.256 -1.309 6.185 627 HG13 VAL 76 HG13 VAL 76 0.645 -0.763 4.762 628 HG21 VAL 76 HG21 VAL 76 2.683 -1.945 4.108 629 HG22 VAL 76 HG22 VAL 76 3.578 -2.983 5.250 630 HG23 VAL 76 HG23 VAL 76 2.069 -3.556 4.512 631 H GLU 77 H GLU 77 0.851 1.071 6.843 632 HA GLU 77 HA GLU 77 -0.526 0.497 9.310 633 HB2 GLU 77 HB2 GLU 77 0.177 2.746 10.323 634 HB3 GLU 77 HB3 GLU 77 1.280 1.391 10.466 635 HG2 GLU 77 HG2 GLU 77 2.041 2.751 8.093 636 HG3 GLU 77 HG3 GLU 77 1.669 4.006 9.235 637 H LEU 78 H LEU 78 -1.976 2.587 9.823 638 HA LEU 78 HA LEU 78 -3.437 3.127 7.323 639 HB2 LEU 78 HB2 LEU 78 -4.003 3.012 10.253 640 HB3 LEU 78 HB3 LEU 78 -4.747 4.377 9.485 641 HG LEU 78 HG LEU 78 -6.257 2.553 9.652 642 HD11 LEU 78 HD11 LEU 78 -6.485 4.134 7.756 643 HD12 LEU 78 HD12 LEU 78 -7.133 2.535 7.386 644 HD13 LEU 78 HD13 LEU 78 -5.557 3.026 6.729 645 HD21 LEU 78 HD21 LEU 78 -4.608 0.706 9.539 646 HD22 LEU 78 HD22 LEU 78 -4.465 0.973 7.790 647 HD23 LEU 78 HD23 LEU 78 -6.021 0.457 8.514 648 H THR 79 H THR 79 -4.036 5.227 6.613 649 HA THR 79 HA THR 79 -3.132 7.566 8.073 650 HB THR 79 HB THR 79 -2.191 8.452 5.794 651 HG1 THR 79 HG1 THR 79 -1.845 5.675 5.559 652 HG21 THR 79 HG21 THR 79 0.101 7.886 6.387 653 HG22 THR 79 HG22 THR 79 -0.474 6.633 7.505 654 HG23 THR 79 HG23 THR 79 -0.832 8.327 7.833 655 H VAL 80 H VAL 80 -4.292 9.394 7.368 656 HA VAL 80 HA VAL 80 -6.053 10.561 6.666 657 HB VAL 80 HB VAL 80 -6.108 8.729 4.241 658 HG11 VAL 80 HG11 VAL 80 -7.221 11.504 4.705 659 HG12 VAL 80 HG12 VAL 80 -7.089 10.713 3.112 660 HG13 VAL 80 HG13 VAL 80 -8.126 10.008 4.346 661 HG21 VAL 80 HG21 VAL 80 -4.411 11.169 4.856 662 HG22 VAL 80 HG22 VAL 80 -3.891 9.561 4.333 663 HG23 VAL 80 HG23 VAL 80 -4.735 10.632 3.207 664 H GLY 81 H GLY 81 -6.977 7.319 5.674 665 HA2 GLY 81 HA2 GLY 81 -9.750 7.541 6.367 666 HA3 GLY 81 HA3 GLY 81 -8.854 6.079 5.910 667 H GLY 82 H GLY 82 -6.990 6.712 8.364 668 HA2 GLY 82 HA2 GLY 82 -8.781 5.965 10.576 669 HA3 GLY 82 HA3 GLY 82 -7.455 4.851 10.125 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -12.706 10.318 3.764 2 HA2 GLY 1 HA2 GLY 1 -15.603 9.836 4.186 3 HA3 GLY 1 HA3 GLY 1 -14.887 10.693 2.793 4 H ASN 2 H ASN 2 -15.586 9.236 1.198 5 HA ASN 2 HA ASN 2 -15.258 6.422 1.425 6 HB2 ASN 2 HB2 ASN 2 -15.980 6.319 -0.855 7 HB3 ASN 2 HB3 ASN 2 -16.855 7.690 -0.169 8 HD21 ASN 2 HD21 ASN 2 -14.603 6.684 -2.719 9 HD22 ASN 2 HD22 ASN 2 -14.220 8.246 -3.302 10 H ARG 3 H ARG 3 -12.808 8.540 1.084 11 HA ARG 3 HA ARG 3 -11.165 6.535 -0.422 12 HB2 ARG 3 HB2 ARG 3 -11.820 9.041 -1.240 13 HB3 ARG 3 HB3 ARG 3 -10.269 9.345 -0.480 14 HG2 ARG 3 HG2 ARG 3 -10.665 7.064 -2.464 15 HG3 ARG 3 HG3 ARG 3 -10.499 8.715 -3.024 16 HD2 ARG 3 HD2 ARG 3 -8.444 7.341 -1.233 17 HD3 ARG 3 HD3 ARG 3 -8.367 7.401 -3.000 18 HE ARG 3 HE ARG 3 -7.783 9.556 -1.117 19 HH11 ARG 3 HH11 ARG 3 -8.873 8.954 -4.490 20 HH12 ARG 3 HH12 ARG 3 -8.266 10.453 -5.062 21 HH21 ARG 3 HH21 ARG 3 -6.714 11.417 -2.010 22 HH22 ARG 3 HH22 ARG 3 -6.765 11.646 -3.724 23 H PHE 4 H PHE 4 -10.081 5.462 0.847 24 HA PHE 4 HA PHE 4 -8.806 6.498 3.337 25 HB2 PHE 4 HB2 PHE 4 -9.354 3.660 2.353 26 HB3 PHE 4 HB3 PHE 4 -8.630 4.073 3.900 27 HD1 PHE 4 HD2 PHE 4 -11.805 4.372 1.892 28 HD2 PHE 4 HD1 PHE 4 -10.000 4.602 5.807 29 HE1 PHE 4 HE2 PHE 4 -14.044 4.624 2.927 30 HE2 PHE 4 HE1 PHE 4 -12.240 4.789 6.827 31 HZ PHE 4 HZ PHE 4 -14.269 4.819 5.388 32 H ILE 5 H ILE 5 -6.568 5.703 3.832 33 HA ILE 5 HA ILE 5 -4.950 5.089 1.474 34 HB ILE 5 HB ILE 5 -4.534 7.394 3.394 35 HG12 ILE 5 HG12 ILE 5 -4.550 7.789 0.411 36 HG13 ILE 5 HG13 ILE 5 -6.100 7.607 1.179 37 HG21 ILE 5 HG21 ILE 5 -2.308 6.450 2.861 38 HG22 ILE 5 HG22 ILE 5 -2.681 6.502 1.130 39 HG23 ILE 5 HG23 ILE 5 -2.508 8.001 2.064 40 HD11 ILE 5 HD11 ILE 5 -4.102 9.697 2.046 41 HD12 ILE 5 HD12 ILE 5 -5.512 9.948 0.990 42 HD13 ILE 5 HD13 ILE 5 -5.751 9.436 2.671 43 H VAL 6 H VAL 6 -2.985 4.023 1.905 44 HA VAL 6 HA VAL 6 -2.700 2.874 4.652 45 HB VAL 6 HB VAL 6 -2.101 1.595 1.955 46 HG11 VAL 6 HG11 VAL 6 -0.483 0.868 3.670 47 HG12 VAL 6 HG12 VAL 6 -1.807 0.481 4.783 48 HG13 VAL 6 HG13 VAL 6 -1.600 -0.443 3.277 49 HG21 VAL 6 HG21 VAL 6 -3.874 -0.018 2.591 50 HG22 VAL 6 HG22 VAL 6 -4.219 0.924 4.052 51 HG23 VAL 6 HG23 VAL 6 -4.523 1.618 2.442 52 H PHE 7 H PHE 7 -0.818 3.263 5.626 53 HA PHE 7 HA PHE 7 1.206 4.953 4.329 54 HB2 PHE 7 HB2 PHE 7 0.406 5.441 6.723 55 HB3 PHE 7 HB3 PHE 7 0.914 3.850 7.177 56 HD1 PHE 7 HD2 PHE 7 2.568 6.605 5.155 57 HD2 PHE 7 HD1 PHE 7 2.830 3.956 8.549 58 HE1 PHE 7 HE2 PHE 7 4.883 7.301 5.527 59 HE2 PHE 7 HE1 PHE 7 5.135 4.696 8.947 60 HZ PHE 7 HZ PHE 7 6.184 6.339 7.419 61 H VAL 8 H VAL 8 3.206 4.031 3.655 62 HA VAL 8 HA VAL 8 3.907 1.417 4.817 63 HB VAL 8 HB VAL 8 4.124 1.899 1.831 64 HG11 VAL 8 HG11 VAL 8 4.174 -0.659 3.481 65 HG12 VAL 8 HG12 VAL 8 4.536 -0.508 1.759 66 HG13 VAL 8 HG13 VAL 8 5.610 0.191 2.991 67 HG21 VAL 8 HG21 VAL 8 1.714 1.822 2.235 68 HG22 VAL 8 HG22 VAL 8 2.237 0.285 1.541 69 HG23 VAL 8 HG23 VAL 8 1.901 0.396 3.278 70 H GLY 9 H GLY 9 6.090 1.458 5.450 71 HA2 GLY 9 HA2 GLY 9 7.862 3.358 4.080 72 HA3 GLY 9 HA3 GLY 9 7.727 3.608 5.779 73 H SER 10 H SER 10 10.139 3.137 5.454 74 HA SER 10 HA SER 10 11.971 1.913 5.722 75 HB2 SER 10 HB2 SER 10 9.886 0.189 6.892 76 HB3 SER 10 HB3 SER 10 11.210 -0.738 6.226 77 HG SER 10 HG SER 10 12.539 0.936 7.472 78 H LEU 11 H LEU 11 10.305 1.950 3.113 79 HA LEU 11 HA LEU 11 10.829 -0.368 1.596 80 HB2 LEU 11 HB2 LEU 11 10.347 2.542 0.876 81 HB3 LEU 11 HB3 LEU 11 10.769 1.389 -0.370 82 HG LEU 11 HG LEU 11 8.828 0.033 0.038 83 HD11 LEU 11 HD11 LEU 11 6.992 0.924 1.554 84 HD12 LEU 11 HD12 LEU 11 8.136 2.085 2.233 85 HD13 LEU 11 HD13 LEU 11 8.382 0.343 2.466 86 HD21 LEU 11 HD21 LEU 11 7.080 1.627 -0.643 87 HD22 LEU 11 HD22 LEU 11 8.597 1.854 -1.495 88 HD23 LEU 11 HD23 LEU 11 8.146 2.982 -0.194 89 HA PRO 12 HA PRO 12 15.161 -0.129 0.697 90 HB2 PRO 12 HB2 PRO 12 15.257 -1.253 -1.858 91 HB3 PRO 12 HB3 PRO 12 15.069 -2.196 -0.368 92 HG2 PRO 12 HG2 PRO 12 12.968 -1.364 -2.327 93 HG3 PRO 12 HG3 PRO 12 13.082 -2.879 -1.426 94 HD2 PRO 12 HD2 PRO 12 11.393 -0.881 -0.671 95 HD3 PRO 12 HD3 PRO 12 12.160 -1.991 0.497 96 H ARG 13 H ARG 13 16.711 1.005 -0.627 97 HA ARG 13 HA ARG 13 15.719 3.521 -1.625 98 HB2 ARG 13 HB2 ARG 13 17.925 3.154 -0.564 99 HB3 ARG 13 HB3 ARG 13 18.481 2.293 -2.000 100 HG2 ARG 13 HG2 ARG 13 18.685 4.224 -3.252 101 HG3 ARG 13 HG3 ARG 13 17.222 4.953 -2.560 102 HD2 ARG 13 HD2 ARG 13 18.453 5.250 -0.428 103 HD3 ARG 13 HD3 ARG 13 19.950 4.813 -1.260 104 HE ARG 13 HE ARG 13 19.865 6.753 -2.533 105 HH11 ARG 13 HH11 ARG 13 17.315 6.752 -0.037 106 HH12 ARG 13 HH12 ARG 13 16.773 8.367 -0.383 107 HH21 ARG 13 HH21 ARG 13 19.051 8.868 -3.032 108 HH22 ARG 13 HH22 ARG 13 17.754 9.579 -2.131 109 H ASP 14 H ASP 14 16.720 0.502 -3.188 110 HA ASP 14 HA ASP 14 16.449 1.626 -5.883 111 HB2 ASP 14 HB2 ASP 14 18.162 -0.186 -4.879 112 HB3 ASP 14 HB3 ASP 14 16.914 -1.201 -5.582 113 H ILE 15 H ILE 15 14.084 1.116 -3.917 114 HA ILE 15 HA ILE 15 12.422 -0.916 -4.796 115 HB ILE 15 HB ILE 15 12.023 0.455 -2.813 116 HG12 ILE 15 HG12 ILE 15 9.584 0.912 -3.144 117 HG13 ILE 15 HG13 ILE 15 9.800 0.500 -4.863 118 HG21 ILE 15 HG21 ILE 15 11.340 2.697 -2.826 119 HG22 ILE 15 HG22 ILE 15 12.755 2.667 -3.855 120 HG23 ILE 15 HG23 ILE 15 11.158 2.708 -4.610 121 HD11 ILE 15 HD11 ILE 15 10.159 -1.273 -2.480 122 HD12 ILE 15 HD12 ILE 15 8.929 -1.348 -3.770 123 HD13 ILE 15 HD13 ILE 15 10.594 -1.759 -4.147 124 H THR 16 H THR 16 10.835 -1.177 -6.551 125 HA THR 16 HA THR 16 10.648 1.079 -8.430 126 HB THR 16 HB THR 16 10.723 -0.667 -10.266 127 HG1 THR 16 HG1 THR 16 11.918 -2.451 -9.872 128 HG21 THR 16 HG21 THR 16 12.449 1.074 -9.903 129 HG22 THR 16 HG22 THR 16 13.177 -0.424 -10.465 130 HG23 THR 16 HG23 THR 16 13.295 0.013 -8.762 131 H ALA 17 H ALA 17 8.724 1.327 -9.511 132 HA ALA 17 HA ALA 17 6.466 0.697 -7.946 133 HB1 ALA 17 HB1 ALA 17 6.630 1.552 -10.860 134 HB2 ALA 17 HB2 ALA 17 5.148 1.525 -9.877 135 HB3 ALA 17 HB3 ALA 17 6.479 2.596 -9.414 136 H VAL 18 H VAL 18 8.000 -1.186 -10.512 137 HA VAL 18 HA VAL 18 5.739 -2.820 -11.081 138 HB VAL 18 HB VAL 18 7.573 -2.776 -12.609 139 HG11 VAL 18 HG11 VAL 18 9.788 -3.683 -12.179 140 HG12 VAL 18 HG12 VAL 18 9.473 -2.333 -11.104 141 HG13 VAL 18 HG13 VAL 18 9.376 -4.006 -10.490 142 HG21 VAL 18 HG21 VAL 18 6.341 -4.908 -12.522 143 HG22 VAL 18 HG22 VAL 18 8.025 -5.154 -12.988 144 HG23 VAL 18 HG23 VAL 18 7.506 -5.555 -11.339 145 H GLU 19 H GLU 19 8.203 -2.919 -8.508 146 HA GLU 19 HA GLU 19 7.376 -5.513 -7.444 147 HB2 GLU 19 HB2 GLU 19 8.917 -3.140 -6.227 148 HB3 GLU 19 HB3 GLU 19 8.862 -4.731 -5.538 149 HG2 GLU 19 HG2 GLU 19 10.028 -4.079 -8.279 150 HG3 GLU 19 HG3 GLU 19 10.926 -4.262 -6.800 151 H LEU 20 H LEU 20 6.667 -2.072 -6.708 152 HA LEU 20 HA LEU 20 5.037 -2.588 -4.429 153 HB2 LEU 20 HB2 LEU 20 4.937 -0.267 -6.398 154 HB3 LEU 20 HB3 LEU 20 4.089 -0.328 -4.854 155 HG LEU 20 HG LEU 20 7.103 -0.372 -5.262 156 HD11 LEU 20 HD11 LEU 20 7.068 1.803 -4.195 157 HD12 LEU 20 HD12 LEU 20 5.343 1.611 -3.818 158 HD13 LEU 20 HD13 LEU 20 5.879 1.849 -5.513 159 HD21 LEU 20 HD21 LEU 20 5.437 -0.592 -2.738 160 HD22 LEU 20 HD22 LEU 20 7.140 -0.092 -2.710 161 HD23 LEU 20 HD23 LEU 20 6.684 -1.709 -3.292 162 H GLN 21 H GLN 21 4.169 -2.164 -7.900 163 HA GLN 21 HA GLN 21 1.364 -2.547 -7.593 164 HB2 GLN 21 HB2 GLN 21 3.354 -2.985 -9.854 165 HB3 GLN 21 HB3 GLN 21 1.664 -3.427 -10.062 166 HG2 GLN 21 HG2 GLN 21 2.462 -0.623 -9.199 167 HG3 GLN 21 HG3 GLN 21 2.432 -1.108 -10.889 168 HE21 GLN 21 HE21 GLN 21 0.626 0.188 -11.582 169 HE22 GLN 21 HE22 GLN 21 -0.959 -0.005 -10.880 170 H ASN 22 H ASN 22 4.051 -4.831 -8.242 171 HA ASN 22 HA ASN 22 2.516 -7.141 -8.435 172 HB2 ASN 22 HB2 ASN 22 4.909 -6.983 -9.064 173 HB3 ASN 22 HB3 ASN 22 5.350 -6.862 -7.355 174 HD21 ASN 22 HD21 ASN 22 6.288 -8.781 -6.878 175 HD22 ASN 22 HD22 ASN 22 5.593 -10.348 -7.122 176 H HIS 23 H HIS 23 3.912 -5.793 -5.365 177 HA HIS 23 HA HIS 23 2.974 -8.046 -3.816 178 HB2 HIS 23 HB2 HIS 23 3.985 -5.310 -3.188 179 HB3 HIS 23 HB3 HIS 23 3.117 -6.203 -1.921 180 HD2 HIS 23 HD2 HIS 23 4.393 -8.162 -0.733 181 HE1 HIS 23 HE1 HIS 23 7.792 -8.348 -3.291 182 HE2 HIS 23 HE2 HIS 23 6.734 -9.303 -1.173 183 H PHE 24 H PHE 24 1.630 -4.730 -4.119 184 HA PHE 24 HA PHE 24 -0.846 -5.520 -2.833 185 HB2 PHE 24 HB2 PHE 24 -0.100 -2.968 -4.252 186 HB3 PHE 24 HB3 PHE 24 -1.566 -3.222 -3.317 187 HD1 PHE 24 HD1 PHE 24 -1.454 -3.747 -0.830 188 HD2 PHE 24 HD2 PHE 24 1.979 -2.491 -3.098 189 HE1 PHE 24 HE1 PHE 24 -0.292 -3.107 1.273 190 HE2 PHE 24 HE2 PHE 24 3.085 -1.756 -1.035 191 HZ PHE 24 HZ PHE 24 1.973 -2.110 1.184 192 H LYS 25 H LYS 25 0.049 -6.459 -5.870 193 HA LYS 25 HA LYS 25 -2.041 -5.929 -7.512 194 HB2 LYS 25 HB2 LYS 25 -1.226 -7.588 -8.808 195 HB3 LYS 25 HB3 LYS 25 0.164 -7.307 -7.820 196 HG2 LYS 25 HG2 LYS 25 -0.634 -9.292 -6.376 197 HG3 LYS 25 HG3 LYS 25 -1.812 -9.618 -7.645 198 HD2 LYS 25 HD2 LYS 25 1.216 -9.759 -7.882 199 HD3 LYS 25 HD3 LYS 25 0.048 -11.078 -7.926 200 HE2 LYS 25 HE2 LYS 25 -0.933 -9.955 -10.006 201 HE3 LYS 25 HE3 LYS 25 0.477 -8.889 -9.997 202 HZ1 LYS 25 HZ1 LYS 25 0.948 -10.729 -11.419 203 HZ2 LYS 25 HZ2 LYS 25 0.444 -11.822 -10.313 204 HZ3 LYS 25 HZ3 LYS 25 1.837 -10.966 -10.071 205 H ASN 26 H ASN 26 -2.113 -8.107 -4.751 206 HA ASN 26 HA ASN 26 -4.681 -9.313 -5.567 207 HB2 ASN 26 HB2 ASN 26 -2.597 -10.458 -4.402 208 HB3 ASN 26 HB3 ASN 26 -3.343 -9.866 -2.923 209 HD21 ASN 26 HD21 ASN 26 -5.971 -10.317 -3.092 210 HD22 ASN 26 HD22 ASN 26 -6.348 -11.976 -3.377 211 H SER 27 H SER 27 -3.760 -6.467 -4.007 212 HA SER 27 HA SER 27 -6.292 -6.248 -2.461 213 HB2 SER 27 HB2 SER 27 -4.949 -4.333 -1.322 214 HB3 SER 27 HB3 SER 27 -4.741 -5.978 -0.815 215 HG SER 27 HG SER 27 -3.074 -4.766 -2.741 216 H SER 28 H SER 28 -4.717 -5.272 -5.302 217 HA SER 28 HA SER 28 -4.954 -3.588 -6.800 218 HB2 SER 28 HB2 SER 28 -7.856 -4.045 -6.071 219 HB3 SER 28 HB3 SER 28 -7.237 -3.332 -7.576 220 HG SER 28 HG SER 28 -7.625 -5.469 -7.904 221 HA PRO 29 HA PRO 29 -5.422 0.115 -3.968 222 HB2 PRO 29 HB2 PRO 29 -3.141 1.390 -4.725 223 HB3 PRO 29 HB3 PRO 29 -3.175 0.094 -3.493 224 HG2 PRO 29 HG2 PRO 29 -2.527 -0.162 -6.451 225 HG3 PRO 29 HG3 PRO 29 -1.564 -0.784 -5.071 226 HD2 PRO 29 HD2 PRO 29 -3.265 -2.368 -6.435 227 HD3 PRO 29 HD3 PRO 29 -3.138 -2.521 -4.655 228 H ASP 30 H ASP 30 -5.660 2.387 -4.630 229 HA ASP 30 HA ASP 30 -6.886 2.552 -7.305 230 HB2 ASP 30 HB2 ASP 30 -8.113 3.368 -5.263 231 HB3 ASP 30 HB3 ASP 30 -6.852 4.585 -5.037 232 H GLN 31 H GLN 31 -4.352 4.004 -5.273 233 HA GLN 31 HA GLN 31 -2.977 4.890 -7.720 234 HB2 GLN 31 HB2 GLN 31 -4.404 6.774 -7.016 235 HB3 GLN 31 HB3 GLN 31 -3.645 6.743 -5.423 236 HG2 GLN 31 HG2 GLN 31 -1.781 7.826 -6.107 237 HG3 GLN 31 HG3 GLN 31 -1.733 7.021 -7.669 238 HE21 GLN 31 HE21 GLN 31 -3.425 9.620 -5.910 239 HE22 GLN 31 HE22 GLN 31 -3.717 10.617 -7.338 240 H ILE 32 H ILE 32 -0.731 5.356 -7.385 241 HA ILE 32 HA ILE 32 0.523 4.292 -4.944 242 HB ILE 32 HB ILE 32 0.968 3.514 -7.856 243 HG12 ILE 32 HG12 ILE 32 0.346 1.746 -5.435 244 HG13 ILE 32 HG13 ILE 32 -0.881 2.327 -6.555 245 HG21 ILE 32 HG21 ILE 32 2.647 2.480 -5.547 246 HG22 ILE 32 HG22 ILE 32 2.860 2.160 -7.275 247 HG23 ILE 32 HG23 ILE 32 3.194 3.762 -6.661 248 HD11 ILE 32 HD11 ILE 32 -0.313 0.105 -7.158 249 HD12 ILE 32 HD12 ILE 32 0.204 1.227 -8.435 250 HD13 ILE 32 HD13 ILE 32 1.398 0.505 -7.328 251 H ARG 33 H ARG 33 2.034 5.764 -4.224 252 HA ARG 33 HA ARG 33 3.490 7.557 -6.060 253 HB2 ARG 33 HB2 ARG 33 1.517 8.325 -3.946 254 HB3 ARG 33 HB3 ARG 33 3.103 9.053 -3.742 255 HG2 ARG 33 HG2 ARG 33 1.895 10.568 -5.043 256 HG3 ARG 33 HG3 ARG 33 3.074 9.785 -6.107 257 HD2 ARG 33 HD2 ARG 33 1.466 8.861 -7.449 258 HD3 ARG 33 HD3 ARG 33 0.428 8.459 -6.076 259 HE ARG 33 HE ARG 33 -0.706 10.393 -6.265 260 HH11 ARG 33 HH11 ARG 33 2.180 10.754 -8.329 261 HH12 ARG 33 HH12 ARG 33 1.989 12.448 -8.538 262 HH21 ARG 33 HH21 ARG 33 -1.268 12.467 -6.988 263 HH22 ARG 33 HH22 ARG 33 -0.259 13.333 -8.086 264 H LEU 34 H LEU 34 5.479 6.645 -5.835 265 HA LEU 34 HA LEU 34 6.336 5.641 -3.213 266 HB2 LEU 34 HB2 LEU 34 6.662 4.251 -5.197 267 HB3 LEU 34 HB3 LEU 34 7.588 5.481 -5.980 268 HG LEU 34 HG LEU 34 8.772 3.395 -4.896 269 HD11 LEU 34 HD11 LEU 34 10.768 4.817 -4.399 270 HD12 LEU 34 HD12 LEU 34 9.769 6.267 -4.497 271 HD13 LEU 34 HD13 LEU 34 9.988 5.243 -5.921 272 HD21 LEU 34 HD21 LEU 34 7.649 3.665 -2.702 273 HD22 LEU 34 HD22 LEU 34 8.636 5.120 -2.404 274 HD23 LEU 34 HD23 LEU 34 9.408 3.567 -2.632 275 H ARG 35 H ARG 35 7.472 6.904 -1.803 276 HA ARG 35 HA ARG 35 8.871 9.324 -2.830 277 HB2 ARG 35 HB2 ARG 35 7.251 8.892 -0.301 278 HB3 ARG 35 HB3 ARG 35 8.277 10.301 -0.578 279 HG2 ARG 35 HG2 ARG 35 6.011 9.521 -2.479 280 HG3 ARG 35 HG3 ARG 35 5.747 10.526 -1.065 281 HD2 ARG 35 HD2 ARG 35 7.040 12.311 -1.877 282 HD3 ARG 35 HD3 ARG 35 7.888 11.300 -3.043 283 HE ARG 35 HE ARG 35 6.190 11.462 -4.566 284 HH11 ARG 35 HH11 ARG 35 4.852 12.728 -1.487 285 HH12 ARG 35 HH12 ARG 35 3.577 13.576 -2.311 286 HH21 ARG 35 HH21 ARG 35 4.747 12.994 -5.526 287 HH22 ARG 35 HH22 ARG 35 3.500 13.727 -4.546 288 H ALA 36 H ALA 36 10.557 7.755 -3.218 289 HA ALA 36 HA ALA 36 11.838 6.112 -1.375 290 HB1 ALA 36 HB1 ALA 36 13.831 6.394 -2.830 291 HB2 ALA 36 HB2 ALA 36 12.371 6.152 -3.792 292 HB3 ALA 36 HB3 ALA 36 13.058 7.778 -3.624 293 H ASP 37 H ASP 37 11.962 9.578 -1.683 294 HA ASP 37 HA ASP 37 14.263 10.343 -0.422 295 HB2 ASP 37 HB2 ASP 37 11.500 11.562 -0.627 296 HB3 ASP 37 HB3 ASP 37 12.792 12.397 0.239 297 H LYS 38 H LYS 38 11.498 8.905 1.131 298 HA LYS 38 HA LYS 38 12.899 8.987 3.728 299 HB2 LYS 38 HB2 LYS 38 10.180 10.037 3.061 300 HB3 LYS 38 HB3 LYS 38 10.295 9.116 4.553 301 HG2 LYS 38 HG2 LYS 38 12.157 11.432 3.908 302 HG3 LYS 38 HG3 LYS 38 10.614 11.572 4.724 303 HD2 LYS 38 HD2 LYS 38 11.510 9.830 6.442 304 HD3 LYS 38 HD3 LYS 38 13.105 10.085 5.699 305 HE2 LYS 38 HE2 LYS 38 12.761 12.570 6.099 306 HE3 LYS 38 HE3 LYS 38 11.287 12.165 6.975 307 HZ1 LYS 38 HZ1 LYS 38 14.060 11.792 7.821 308 HZ2 LYS 38 HZ2 LYS 38 12.949 10.729 8.389 309 HZ3 LYS 38 HZ3 LYS 38 12.787 12.331 8.643 310 H GLY 39 H GLY 39 12.207 7.093 1.315 311 HA2 GLY 39 HA2 GLY 39 11.845 4.856 1.001 312 HA3 GLY 39 HA3 GLY 39 12.281 4.642 2.708 313 H ILE 40 H ILE 40 9.458 6.431 1.254 314 HA ILE 40 HA ILE 40 7.624 4.512 2.505 315 HB ILE 40 HB ILE 40 6.232 6.672 2.991 316 HG12 ILE 40 HG12 ILE 40 8.950 7.868 3.116 317 HG13 ILE 40 HG13 ILE 40 7.953 8.065 1.668 318 HG21 ILE 40 HG21 ILE 40 8.639 5.913 4.683 319 HG22 ILE 40 HG22 ILE 40 7.377 7.052 5.207 320 HG23 ILE 40 HG23 ILE 40 6.934 5.409 4.846 321 HD11 ILE 40 HD11 ILE 40 7.353 9.170 4.420 322 HD12 ILE 40 HD12 ILE 40 7.701 10.063 2.931 323 HD13 ILE 40 HD13 ILE 40 6.185 9.162 3.072 324 H ALA 41 H ALA 41 5.372 4.951 1.796 325 HA ALA 41 HA ALA 41 5.065 6.003 -0.919 326 HB1 ALA 41 HB1 ALA 41 5.759 3.651 -1.253 327 HB2 ALA 41 HB2 ALA 41 4.531 3.121 -0.082 328 HB3 ALA 41 HB3 ALA 41 4.039 3.826 -1.620 329 H PHE 42 H PHE 42 2.717 5.927 -1.481 330 HA PHE 42 HA PHE 42 0.842 5.943 0.845 331 HB2 PHE 42 HB2 PHE 42 1.087 8.081 -1.336 332 HB3 PHE 42 HB3 PHE 42 -0.226 7.969 -0.191 333 HD1 PHE 42 HD2 PHE 42 3.348 8.836 -0.623 334 HD2 PHE 42 HD1 PHE 42 0.025 8.698 2.133 335 HE1 PHE 42 HE2 PHE 42 4.543 10.383 0.917 336 HE2 PHE 42 HE1 PHE 42 1.216 10.267 3.634 337 HZ PHE 42 HZ PHE 42 3.457 11.138 3.017 338 H LEU 43 H LEU 43 -0.719 4.481 0.330 339 HA LEU 43 HA LEU 43 -1.358 4.054 -2.569 340 HB2 LEU 43 HB2 LEU 43 -1.411 2.114 -0.218 341 HB3 LEU 43 HB3 LEU 43 -2.214 1.839 -1.773 342 HG LEU 43 HG LEU 43 0.178 2.327 -2.778 343 HD11 LEU 43 HD11 LEU 43 1.996 1.402 -1.360 344 HD12 LEU 43 HD12 LEU 43 0.848 1.210 -0.027 345 HD13 LEU 43 HD13 LEU 43 1.301 2.830 -0.574 346 HD21 LEU 43 HD21 LEU 43 -0.600 -0.304 -1.493 347 HD22 LEU 43 HD22 LEU 43 0.697 -0.073 -2.689 348 HD23 LEU 43 HD23 LEU 43 -0.956 0.269 -3.146 349 H GLU 44 H GLU 44 -3.264 4.910 -3.033 350 HA GLU 44 HA GLU 44 -5.219 5.623 -0.901 351 HB2 GLU 44 HB2 GLU 44 -5.061 6.121 -3.910 352 HB3 GLU 44 HB3 GLU 44 -6.355 6.708 -2.889 353 HG2 GLU 44 HG2 GLU 44 -5.007 8.309 -1.816 354 HG3 GLU 44 HG3 GLU 44 -3.501 7.508 -2.275 355 H PHE 45 H PHE 45 -7.419 4.771 -1.044 356 HA PHE 45 HA PHE 45 -7.994 2.631 -2.987 357 HB2 PHE 45 HB2 PHE 45 -8.078 2.334 0.040 358 HB3 PHE 45 HB3 PHE 45 -8.854 1.256 -1.100 359 HD1 PHE 45 HD2 PHE 45 -5.466 2.459 -0.013 360 HD2 PHE 45 HD1 PHE 45 -7.759 -0.603 -2.007 361 HE1 PHE 45 HE2 PHE 45 -3.520 0.933 0.068 362 HE2 PHE 45 HE1 PHE 45 -5.844 -2.141 -1.819 363 HZ PHE 45 HZ PHE 45 -3.706 -1.401 -0.833 364 H ASP 46 H ASP 46 -10.123 2.773 -3.604 365 HA ASP 46 HA ASP 46 -11.810 4.882 -2.361 366 HB2 ASP 46 HB2 ASP 46 -11.299 5.273 -4.669 367 HB3 ASP 46 HB3 ASP 46 -11.834 3.660 -5.128 368 H ALA 47 H ALA 47 -13.156 4.124 -0.902 369 HA ALA 47 HA ALA 47 -14.146 1.430 -0.749 370 HB1 ALA 47 HB1 ALA 47 -13.831 2.972 1.208 371 HB2 ALA 47 HB2 ALA 47 -15.175 3.964 0.598 372 HB3 ALA 47 HB3 ALA 47 -15.466 2.289 1.114 373 H ASP 48 H ASP 48 -15.237 4.255 -2.499 374 HA ASP 48 HA ASP 48 -18.033 3.410 -2.658 375 HB2 ASP 48 HB2 ASP 48 -16.997 5.824 -2.905 376 HB3 ASP 48 HB3 ASP 48 -16.699 5.340 -4.580 377 H LYS 49 H LYS 49 -15.002 2.767 -4.325 378 HA LYS 49 HA LYS 49 -16.080 1.894 -6.816 379 HB2 LYS 49 HB2 LYS 49 -13.614 2.500 -5.999 380 HB3 LYS 49 HB3 LYS 49 -13.516 0.765 -5.678 381 HG2 LYS 49 HG2 LYS 49 -14.154 0.351 -8.073 382 HG3 LYS 49 HG3 LYS 49 -14.248 2.111 -8.303 383 HD2 LYS 49 HD2 LYS 49 -11.807 2.285 -7.682 384 HD3 LYS 49 HD3 LYS 49 -11.762 0.525 -7.525 385 HE2 LYS 49 HE2 LYS 49 -10.897 0.876 -9.672 386 HE3 LYS 49 HE3 LYS 49 -12.575 0.437 -9.981 387 HZ1 LYS 49 HZ1 LYS 49 -12.991 2.919 -10.134 388 HZ2 LYS 49 HZ2 LYS 49 -12.019 2.287 -11.302 389 HZ3 LYS 49 HZ3 LYS 49 -11.379 3.157 -10.079 390 H ASP 50 H ASP 50 -15.542 0.247 -3.669 391 HA ASP 50 HA ASP 50 -17.295 -1.931 -4.529 392 HB2 ASP 50 HB2 ASP 50 -15.077 -2.625 -5.387 393 HB3 ASP 50 HB3 ASP 50 -14.417 -2.517 -3.754 394 H ARG 51 H ARG 51 -18.622 -1.201 -2.877 395 HA ARG 51 HA ARG 51 -18.203 -0.505 -0.270 396 HB2 ARG 51 HB2 ARG 51 -20.338 -0.742 -1.690 397 HB3 ARG 51 HB3 ARG 51 -20.410 -2.394 -1.068 398 HG2 ARG 51 HG2 ARG 51 -20.519 -1.500 1.254 399 HG3 ARG 51 HG3 ARG 51 -20.425 0.162 0.621 400 HD2 ARG 51 HD2 ARG 51 -22.409 -0.394 -0.813 401 HD3 ARG 51 HD3 ARG 51 -22.506 -1.952 -0.002 402 HE ARG 51 HE ARG 51 -22.627 0.489 1.681 403 HH11 ARG 51 HH11 ARG 51 -24.177 -2.500 0.739 404 HH12 ARG 51 HH12 ARG 51 -25.759 -2.058 1.249 405 HH21 ARG 51 HH21 ARG 51 -24.793 1.109 2.535 406 HH22 ARG 51 HH22 ARG 51 -26.118 0.067 2.181 407 H THR 52 H THR 52 -18.202 -3.883 -1.465 408 HA THR 52 HA THR 52 -17.831 -4.730 1.347 409 HB THR 52 HB THR 52 -19.868 -5.446 0.007 410 HG1 THR 52 HG1 THR 52 -18.846 -6.314 2.078 411 HG21 THR 52 HG21 THR 52 -19.593 -7.594 -1.151 412 HG22 THR 52 HG22 THR 52 -17.839 -7.478 -0.958 413 HG23 THR 52 HG23 THR 52 -18.679 -6.298 -1.965 414 H GLY 53 H GLY 53 -16.138 -4.488 -1.635 415 HA2 GLY 53 HA2 GLY 53 -14.166 -6.516 -0.783 416 HA3 GLY 53 HA3 GLY 53 -14.227 -5.715 -2.339 417 H ILE 54 H ILE 54 -14.546 -3.006 -0.624 418 HA ILE 54 HA ILE 54 -11.843 -2.239 -0.704 419 HB ILE 54 HB ILE 54 -13.765 -0.715 -0.652 420 HG12 ILE 54 HG12 ILE 54 -12.896 0.904 1.110 421 HG13 ILE 54 HG13 ILE 54 -11.751 -0.321 1.604 422 HG21 ILE 54 HG21 ILE 54 -15.207 -1.914 1.020 423 HG22 ILE 54 HG22 ILE 54 -14.106 -1.381 2.311 424 HG23 ILE 54 HG23 ILE 54 -15.015 -0.200 1.361 425 HD11 ILE 54 HD11 ILE 54 -10.775 -0.300 -0.693 426 HD12 ILE 54 HD12 ILE 54 -11.980 0.862 -1.191 427 HD13 ILE 54 HD13 ILE 54 -10.791 1.329 0.039 428 H GLN 55 H GLN 55 -13.780 -3.728 1.781 429 HA GLN 55 HA GLN 55 -12.051 -3.611 4.001 430 HB2 GLN 55 HB2 GLN 55 -14.437 -4.040 4.140 431 HB3 GLN 55 HB3 GLN 55 -14.303 -5.491 3.144 432 HG2 GLN 55 HG2 GLN 55 -14.617 -5.911 5.570 433 HG3 GLN 55 HG3 GLN 55 -13.174 -6.679 4.878 434 HE21 GLN 55 HE21 GLN 55 -11.115 -6.037 5.538 435 HE22 GLN 55 HE22 GLN 55 -10.824 -4.765 6.735 436 H ARG 56 H ARG 56 -12.674 -6.381 1.811 437 HA ARG 56 HA ARG 56 -10.535 -8.046 2.643 438 HB2 ARG 56 HB2 ARG 56 -11.644 -7.812 -0.197 439 HB3 ARG 56 HB3 ARG 56 -10.739 -9.178 0.446 440 HG2 ARG 56 HG2 ARG 56 -13.496 -8.281 1.397 441 HG3 ARG 56 HG3 ARG 56 -13.167 -9.616 0.283 442 HD2 ARG 56 HD2 ARG 56 -12.085 -10.922 1.930 443 HD3 ARG 56 HD3 ARG 56 -12.016 -9.573 3.065 444 HE ARG 56 HE ARG 56 -14.426 -11.110 2.234 445 HH11 ARG 56 HH11 ARG 56 -12.889 -8.891 4.595 446 HH12 ARG 56 HH12 ARG 56 -14.211 -9.016 5.711 447 HH21 ARG 56 HH21 ARG 56 -16.190 -11.112 3.686 448 HH22 ARG 56 HH22 ARG 56 -16.162 -10.113 5.122 449 H ARG 57 H ARG 57 -10.525 -5.394 0.258 450 HA ARG 57 HA ARG 57 -7.850 -5.840 -0.676 451 HB2 ARG 57 HB2 ARG 57 -9.650 -3.398 -0.570 452 HB3 ARG 57 HB3 ARG 57 -8.036 -3.345 -1.261 453 HG2 ARG 57 HG2 ARG 57 -8.727 -5.039 -2.960 454 HG3 ARG 57 HG3 ARG 57 -10.307 -5.149 -2.225 455 HD2 ARG 57 HD2 ARG 57 -10.751 -2.757 -2.675 456 HD3 ARG 57 HD3 ARG 57 -9.111 -2.535 -3.263 457 HE ARG 57 HE ARG 57 -9.792 -3.163 -5.293 458 HH11 ARG 57 HH11 ARG 57 -12.013 -4.681 -3.025 459 HH12 ARG 57 HH12 ARG 57 -13.288 -4.941 -4.197 460 HH21 ARG 57 HH21 ARG 57 -11.305 -3.798 -6.916 461 HH22 ARG 57 HH22 ARG 57 -12.797 -4.589 -6.482 462 H MET 58 H MET 58 -9.188 -3.751 1.968 463 HA MET 58 HA MET 58 -6.673 -2.768 2.835 464 HB2 MET 58 HB2 MET 58 -9.470 -2.836 3.962 465 HB3 MET 58 HB3 MET 58 -8.168 -2.755 5.149 466 HG2 MET 58 HG2 MET 58 -7.185 -0.836 3.982 467 HG3 MET 58 HG3 MET 58 -8.567 -0.810 2.881 468 HE1 MET 58 HE1 MET 58 -10.937 1.488 4.527 469 HE2 MET 58 HE2 MET 58 -10.026 1.073 3.065 470 HE3 MET 58 HE3 MET 58 -11.150 -0.111 3.780 471 H ASP 59 H ASP 59 -8.546 -5.659 3.820 472 HA ASP 59 HA ASP 59 -6.996 -6.533 6.012 473 HB2 ASP 59 HB2 ASP 59 -8.402 -8.082 3.829 474 HB3 ASP 59 HB3 ASP 59 -7.653 -8.885 5.183 475 H ILE 60 H ILE 60 -6.705 -7.304 2.537 476 HA ILE 60 HA ILE 60 -4.317 -8.872 2.776 477 HB ILE 60 HB ILE 60 -5.823 -7.637 0.415 478 HG12 ILE 60 HG12 ILE 60 -5.513 -10.498 1.513 479 HG13 ILE 60 HG13 ILE 60 -6.911 -9.469 1.804 480 HG21 ILE 60 HG21 ILE 60 -4.515 -9.200 -1.039 481 HG22 ILE 60 HG22 ILE 60 -3.565 -7.898 -0.372 482 HG23 ILE 60 HG23 ILE 60 -3.434 -9.522 0.339 483 HD11 ILE 60 HD11 ILE 60 -7.580 -10.964 0.149 484 HD12 ILE 60 HD12 ILE 60 -7.288 -9.438 -0.707 485 HD13 ILE 60 HD13 ILE 60 -6.098 -10.763 -0.789 486 H ALA 61 H ALA 61 -4.858 -5.403 2.372 487 HA ALA 61 HA ALA 61 -2.111 -4.863 1.587 488 HB1 ALA 61 HB1 ALA 61 -3.974 -3.315 1.018 489 HB2 ALA 61 HB2 ALA 61 -4.247 -3.013 2.747 490 HB3 ALA 61 HB3 ALA 61 -2.724 -2.517 1.997 491 H LEU 62 H LEU 62 -4.032 -4.782 4.630 492 HA LEU 62 HA LEU 62 -1.949 -3.806 6.321 493 HB2 LEU 62 HB2 LEU 62 -4.570 -5.245 6.720 494 HB3 LEU 62 HB3 LEU 62 -3.470 -5.162 8.082 495 HG LEU 62 HG LEU 62 -4.265 -2.656 6.556 496 HD11 LEU 62 HD11 LEU 62 -5.929 -2.274 8.367 497 HD12 LEU 62 HD12 LEU 62 -5.601 -3.899 8.992 498 HD13 LEU 62 HD13 LEU 62 -6.319 -3.698 7.381 499 HD21 LEU 62 HD21 LEU 62 -3.598 -1.555 8.688 500 HD22 LEU 62 HD22 LEU 62 -2.250 -2.467 8.016 501 HD23 LEU 62 HD23 LEU 62 -3.172 -3.128 9.377 502 H LEU 63 H LEU 63 -2.622 -7.028 5.143 503 HA LEU 63 HA LEU 63 -0.934 -8.346 7.104 504 HB2 LEU 63 HB2 LEU 63 -2.275 -9.125 4.478 505 HB3 LEU 63 HB3 LEU 63 -1.097 -10.222 5.175 506 HG LEU 63 HG LEU 63 -3.413 -9.200 6.841 507 HD11 LEU 63 HD11 LEU 63 -4.383 -10.225 4.842 508 HD12 LEU 63 HD12 LEU 63 -4.630 -11.268 6.249 509 HD13 LEU 63 HD13 LEU 63 -3.367 -11.667 5.058 510 HD21 LEU 63 HD21 LEU 63 -1.519 -10.284 8.040 511 HD22 LEU 63 HD22 LEU 63 -1.691 -11.717 7.013 512 HD23 LEU 63 HD23 LEU 63 -2.987 -11.256 8.136 513 H GLN 64 H GLN 64 -0.023 -6.234 4.648 514 HA GLN 64 HA GLN 64 2.359 -7.780 3.910 515 HB2 GLN 64 HB2 GLN 64 1.616 -4.908 3.243 516 HB3 GLN 64 HB3 GLN 64 2.973 -5.823 2.566 517 HG2 GLN 64 HG2 GLN 64 0.004 -6.349 2.180 518 HG3 GLN 64 HG3 GLN 64 1.134 -5.706 0.999 519 HE21 GLN 64 HE21 GLN 64 -0.226 -8.563 2.316 520 HE22 GLN 64 HE22 GLN 64 0.810 -9.743 1.543 521 H HIS 65 H HIS 65 1.495 -5.997 6.693 522 HA HIS 65 HA HIS 65 3.905 -4.592 7.248 523 HB2 HIS 65 HB2 HIS 65 1.700 -4.300 8.413 524 HB3 HIS 65 HB3 HIS 65 1.921 -5.851 9.191 525 HD2 HIS 65 HD2 HIS 65 2.653 -5.402 11.659 526 HE1 HIS 65 HE1 HIS 65 5.015 -1.911 11.104 527 HE2 HIS 65 HE2 HIS 65 4.082 -3.528 12.830 528 H GLY 66 H GLY 66 5.813 -5.563 7.303 529 HA2 GLY 66 HA2 GLY 66 7.382 -6.836 8.634 530 HA3 GLY 66 HA3 GLY 66 6.204 -8.108 8.897 531 H THR 67 H THR 67 5.776 -7.309 5.684 532 HA THR 67 HA THR 67 7.206 -9.615 4.724 533 HB THR 67 HB THR 67 6.586 -8.774 2.465 534 HG1 THR 67 HG1 THR 67 5.328 -6.622 3.834 535 HG21 THR 67 HG21 THR 67 4.963 -10.160 3.651 536 HG22 THR 67 HG22 THR 67 4.138 -8.935 2.682 537 HG23 THR 67 HG23 THR 67 4.282 -8.747 4.447 538 H LEU 68 H LEU 68 9.038 -9.670 3.374 539 HA LEU 68 HA LEU 68 10.993 -7.480 3.750 540 HB2 LEU 68 HB2 LEU 68 11.205 -10.372 2.888 541 HB3 LEU 68 HB3 LEU 68 12.566 -9.258 2.883 542 HG LEU 68 HG LEU 68 11.005 -9.907 5.423 543 HD11 LEU 68 HD11 LEU 68 11.933 -11.969 4.478 544 HD12 LEU 68 HD12 LEU 68 12.813 -11.490 5.932 545 HD13 LEU 68 HD13 LEU 68 13.515 -11.192 4.292 546 HD21 LEU 68 HD21 LEU 68 13.093 -9.108 6.509 547 HD22 LEU 68 HD22 LEU 68 12.389 -7.867 5.459 548 HD23 LEU 68 HD23 LEU 68 13.794 -8.763 4.908 549 H LEU 69 H LEU 69 10.790 -6.085 2.143 550 HA LEU 69 HA LEU 69 10.037 -6.972 -0.605 551 HB2 LEU 69 HB2 LEU 69 8.597 -5.285 0.428 552 HB3 LEU 69 HB3 LEU 69 10.001 -4.265 0.772 553 HG LEU 69 HG LEU 69 10.419 -3.992 -1.674 554 HD11 LEU 69 HD11 LEU 69 7.851 -5.625 -1.931 555 HD12 LEU 69 HD12 LEU 69 9.440 -6.032 -2.613 556 HD13 LEU 69 HD13 LEU 69 8.537 -4.650 -3.237 557 HD21 LEU 69 HD21 LEU 69 9.113 -2.336 -0.472 558 HD22 LEU 69 HD22 LEU 69 7.659 -3.342 -0.608 559 HD23 LEU 69 HD23 LEU 69 8.324 -2.622 -2.044 560 H LYS 70 H LYS 70 11.828 -7.407 -1.718 561 HA LYS 70 HA LYS 70 14.013 -7.416 -2.434 562 HB2 LYS 70 HB2 LYS 70 13.892 -4.442 -2.431 563 HB3 LYS 70 HB3 LYS 70 14.845 -5.519 -3.410 564 HG2 LYS 70 HG2 LYS 70 12.532 -6.480 -4.199 565 HG3 LYS 70 HG3 LYS 70 11.864 -4.958 -3.620 566 HD2 LYS 70 HD2 LYS 70 14.253 -5.025 -5.492 567 HD3 LYS 70 HD3 LYS 70 12.649 -5.301 -6.117 568 HE2 LYS 70 HE2 LYS 70 11.961 -2.998 -5.157 569 HE3 LYS 70 HE3 LYS 70 13.664 -2.820 -4.701 570 HZ1 LYS 70 HZ1 LYS 70 14.182 -3.206 -7.111 571 HZ2 LYS 70 HZ2 LYS 70 13.471 -1.815 -6.808 572 HZ3 LYS 70 HZ3 LYS 70 12.593 -3.049 -7.471 573 H GLU 71 H GLU 71 13.997 -8.078 -0.076 574 HA GLU 71 HA GLU 71 15.056 -8.422 1.875 575 HB2 GLU 71 HB2 GLU 71 17.516 -7.440 0.408 576 HB3 GLU 71 HB3 GLU 71 17.444 -8.500 1.828 577 HG2 GLU 71 HG2 GLU 71 15.780 -9.909 0.289 578 HG3 GLU 71 HG3 GLU 71 16.593 -9.061 -1.020 579 H LYS 72 H LYS 72 13.597 -6.128 1.941 580 HA LYS 72 HA LYS 72 14.915 -4.682 4.160 581 HB2 LYS 72 HB2 LYS 72 13.749 -3.490 1.644 582 HB3 LYS 72 HB3 LYS 72 13.418 -2.660 3.158 583 HG2 LYS 72 HG2 LYS 72 16.231 -3.458 2.321 584 HG3 LYS 72 HG3 LYS 72 15.486 -1.934 1.850 585 HD2 LYS 72 HD2 LYS 72 15.208 -1.230 4.162 586 HD3 LYS 72 HD3 LYS 72 15.875 -2.781 4.753 587 HE2 LYS 72 HE2 LYS 72 17.950 -2.396 3.560 588 HE3 LYS 72 HE3 LYS 72 17.320 -0.901 2.852 589 HZ1 LYS 72 HZ1 LYS 72 18.671 -0.284 4.622 590 HZ2 LYS 72 HZ2 LYS 72 18.070 -1.397 5.651 591 HZ3 LYS 72 HZ3 LYS 72 17.140 -0.095 5.222 592 H LYS 73 H LYS 73 13.670 -4.975 5.891 593 HA LYS 73 HA LYS 73 10.984 -6.109 5.502 594 HB2 LYS 73 HB2 LYS 73 12.737 -6.679 7.396 595 HB3 LYS 73 HB3 LYS 73 12.001 -5.323 8.249 596 HG2 LYS 73 HG2 LYS 73 9.850 -6.391 8.289 597 HG3 LYS 73 HG3 LYS 73 10.267 -7.438 6.939 598 HD2 LYS 73 HD2 LYS 73 10.295 -8.947 8.602 599 HD3 LYS 73 HD3 LYS 73 12.001 -8.558 8.506 600 HE2 LYS 73 HE2 LYS 73 9.966 -7.535 10.530 601 HE3 LYS 73 HE3 LYS 73 11.209 -8.760 10.791 602 HZ1 LYS 73 HZ1 LYS 73 11.662 -5.873 10.408 603 HZ2 LYS 73 HZ2 LYS 73 12.881 -6.985 10.310 604 HZ3 LYS 73 HZ3 LYS 73 12.035 -6.779 11.695 605 H ILE 74 H ILE 74 9.454 -4.679 4.868 606 HA ILE 74 HA ILE 74 9.537 -1.877 5.617 607 HB ILE 74 HB ILE 74 7.719 -1.578 4.173 608 HG12 ILE 74 HG12 ILE 74 7.592 -4.486 3.482 609 HG13 ILE 74 HG13 ILE 74 6.375 -3.465 4.315 610 HG21 ILE 74 HG21 ILE 74 9.848 -3.314 2.830 611 HG22 ILE 74 HG22 ILE 74 8.976 -1.965 2.077 612 HG23 ILE 74 HG23 ILE 74 10.126 -1.659 3.382 613 HD11 ILE 74 HD11 ILE 74 6.386 -2.020 2.217 614 HD12 ILE 74 HD12 ILE 74 7.175 -3.418 1.450 615 HD13 ILE 74 HD13 ILE 74 5.565 -3.594 2.175 616 H ASN 75 H ASN 75 7.240 -0.852 6.030 617 HA ASN 75 HA ASN 75 5.855 -2.247 8.266 618 HB2 ASN 75 HB2 ASN 75 5.598 -0.048 9.325 619 HB3 ASN 75 HB3 ASN 75 7.308 -0.499 9.325 620 HD21 ASN 75 HD21 ASN 75 4.787 1.601 7.794 621 HD22 ASN 75 HD22 ASN 75 5.932 2.724 7.092 622 H VAL 76 H VAL 76 3.598 -1.759 8.317 623 HA VAL 76 HA VAL 76 2.498 -0.120 6.134 624 HB VAL 76 HB VAL 76 1.852 -3.013 6.776 625 HG11 VAL 76 HG11 VAL 76 0.081 -2.790 5.027 626 HG12 VAL 76 HG12 VAL 76 -0.270 -1.822 6.455 627 HG13 VAL 76 HG13 VAL 76 0.367 -1.041 4.992 628 HG21 VAL 76 HG21 VAL 76 2.515 -1.875 4.066 629 HG22 VAL 76 HG22 VAL 76 3.757 -2.587 5.137 630 HG23 VAL 76 HG23 VAL 76 2.415 -3.556 4.588 631 H GLU 77 H GLU 77 1.081 1.302 7.128 632 HA GLU 77 HA GLU 77 -0.409 0.436 9.502 633 HB2 GLU 77 HB2 GLU 77 0.879 3.166 9.612 634 HB3 GLU 77 HB3 GLU 77 0.195 2.183 10.898 635 HG2 GLU 77 HG2 GLU 77 2.239 0.574 10.363 636 HG3 GLU 77 HG3 GLU 77 2.881 2.041 9.596 637 H LEU 78 H LEU 78 -1.922 2.432 10.122 638 HA LEU 78 HA LEU 78 -3.650 2.822 7.816 639 HB2 LEU 78 HB2 LEU 78 -3.753 3.092 10.810 640 HB3 LEU 78 HB3 LEU 78 -4.741 4.232 9.951 641 HG LEU 78 HG LEU 78 -5.981 2.260 10.645 642 HD11 LEU 78 HD11 LEU 78 -7.202 1.947 8.579 643 HD12 LEU 78 HD12 LEU 78 -5.821 2.518 7.624 644 HD13 LEU 78 HD13 LEU 78 -6.664 3.627 8.717 645 HD21 LEU 78 HD21 LEU 78 -4.177 0.569 10.364 646 HD22 LEU 78 HD22 LEU 78 -4.350 0.695 8.603 647 HD23 LEU 78 HD23 LEU 78 -5.700 0.092 9.595 648 H THR 79 H THR 79 -4.480 4.862 7.021 649 HA THR 79 HA THR 79 -3.247 7.333 7.988 650 HB THR 79 HB THR 79 -3.286 7.511 5.142 651 HG1 THR 79 HG1 THR 79 -3.036 5.195 5.296 652 HG21 THR 79 HG21 THR 79 -0.880 7.361 6.962 653 HG22 THR 79 HG22 THR 79 -1.801 8.830 6.543 654 HG23 THR 79 HG23 THR 79 -0.897 7.958 5.295 655 H VAL 80 H VAL 80 -4.844 8.846 8.084 656 HA VAL 80 HA VAL 80 -6.852 9.833 7.908 657 HB VAL 80 HB VAL 80 -6.802 8.812 5.020 658 HG11 VAL 80 HG11 VAL 80 -7.836 11.186 4.665 659 HG12 VAL 80 HG12 VAL 80 -8.878 9.884 5.188 660 HG13 VAL 80 HG13 VAL 80 -8.277 11.072 6.378 661 HG21 VAL 80 HG21 VAL 80 -5.625 10.985 4.534 662 HG22 VAL 80 HG22 VAL 80 -5.462 11.238 6.281 663 HG23 VAL 80 HG23 VAL 80 -4.648 9.879 5.476 664 H GLY 81 H GLY 81 -9.279 9.082 6.606 665 HA2 GLY 81 HA2 GLY 81 -10.873 7.329 6.496 666 HA3 GLY 81 HA3 GLY 81 -9.955 6.407 7.675 667 H GLY 82 H GLY 82 -12.079 9.215 7.198 668 HA2 GLY 82 HA2 GLY 82 -13.568 8.923 9.559 669 HA3 GLY 82 HA3 GLY 82 -12.426 10.276 9.684 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -14.240 9.176 5.869 2 HA2 GLY 1 HA2 GLY 1 -15.945 9.138 4.178 3 HA3 GLY 1 HA3 GLY 1 -14.453 9.801 3.467 4 H ASN 2 H ASN 2 -14.772 9.002 1.279 5 HA ASN 2 HA ASN 2 -15.118 6.077 1.042 6 HB2 ASN 2 HB2 ASN 2 -15.918 6.347 -1.172 7 HB3 ASN 2 HB3 ASN 2 -16.726 7.617 -0.250 8 HD21 ASN 2 HD21 ASN 2 -14.394 6.966 -2.955 9 HD22 ASN 2 HD22 ASN 2 -13.986 8.649 -3.160 10 H ARG 3 H ARG 3 -12.696 8.254 0.838 11 HA ARG 3 HA ARG 3 -11.090 6.271 -0.742 12 HB2 ARG 3 HB2 ARG 3 -11.614 8.736 -1.685 13 HB3 ARG 3 HB3 ARG 3 -10.071 9.050 -0.911 14 HG2 ARG 3 HG2 ARG 3 -10.610 6.738 -2.838 15 HG3 ARG 3 HG3 ARG 3 -10.175 8.322 -3.412 16 HD2 ARG 3 HD2 ARG 3 -8.323 6.911 -1.447 17 HD3 ARG 3 HD3 ARG 3 -8.364 6.470 -3.159 18 HE ARG 3 HE ARG 3 -7.417 8.485 -3.790 19 HH11 ARG 3 HH11 ARG 3 -7.795 8.376 -0.322 20 HH12 ARG 3 HH12 ARG 3 -7.348 10.006 -0.026 21 HH21 ARG 3 HH21 ARG 3 -6.600 10.531 -3.509 22 HH22 ARG 3 HH22 ARG 3 -6.399 11.273 -1.954 23 H PHE 4 H PHE 4 -9.818 5.214 0.418 24 HA PHE 4 HA PHE 4 -8.714 6.288 2.964 25 HB2 PHE 4 HB2 PHE 4 -9.094 3.422 1.955 26 HB3 PHE 4 HB3 PHE 4 -8.425 3.881 3.508 27 HD1 PHE 4 HD1 PHE 4 -11.601 4.110 1.478 28 HD2 PHE 4 HD2 PHE 4 -9.821 3.934 5.414 29 HE1 PHE 4 HE1 PHE 4 -13.858 4.193 2.554 30 HE2 PHE 4 HE2 PHE 4 -12.045 3.950 6.432 31 HZ PHE 4 HZ PHE 4 -14.082 4.091 5.001 32 H ILE 5 H ILE 5 -6.478 5.572 3.451 33 HA ILE 5 HA ILE 5 -4.802 5.022 1.135 34 HB ILE 5 HB ILE 5 -4.092 7.161 3.192 35 HG12 ILE 5 HG12 ILE 5 -4.341 8.382 0.656 36 HG13 ILE 5 HG13 ILE 5 -5.776 7.425 0.721 37 HG21 ILE 5 HG21 ILE 5 -2.124 6.141 2.183 38 HG22 ILE 5 HG22 ILE 5 -2.778 6.425 0.551 39 HG23 ILE 5 HG23 ILE 5 -2.335 7.783 1.610 40 HD11 ILE 5 HD11 ILE 5 -6.329 8.475 2.921 41 HD12 ILE 5 HD12 ILE 5 -4.787 9.374 2.835 42 HD13 ILE 5 HD13 ILE 5 -6.062 9.692 1.650 43 H VAL 6 H VAL 6 -2.860 3.993 1.715 44 HA VAL 6 HA VAL 6 -2.739 2.754 4.418 45 HB VAL 6 HB VAL 6 -2.058 1.521 1.708 46 HG11 VAL 6 HG11 VAL 6 -1.881 0.370 4.525 47 HG12 VAL 6 HG12 VAL 6 -1.595 -0.532 3.021 48 HG13 VAL 6 HG13 VAL 6 -0.516 0.785 3.470 49 HG21 VAL 6 HG21 VAL 6 -4.478 1.540 2.091 50 HG22 VAL 6 HG22 VAL 6 -3.857 -0.105 2.251 51 HG23 VAL 6 HG23 VAL 6 -4.249 0.826 3.708 52 H PHE 7 H PHE 7 -0.895 3.247 5.420 53 HA PHE 7 HA PHE 7 1.148 4.910 4.097 54 HB2 PHE 7 HB2 PHE 7 0.463 5.419 6.519 55 HB3 PHE 7 HB3 PHE 7 0.854 3.778 6.927 56 HD1 PHE 7 HD1 PHE 7 2.712 6.341 4.881 57 HD2 PHE 7 HD2 PHE 7 2.769 3.790 8.349 58 HE1 PHE 7 HE1 PHE 7 5.071 6.910 5.271 59 HE2 PHE 7 HE2 PHE 7 5.097 4.404 8.773 60 HZ PHE 7 HZ PHE 7 6.266 5.955 7.230 61 H VAL 8 H VAL 8 3.104 3.938 3.372 62 HA VAL 8 HA VAL 8 3.756 1.274 4.494 63 HB VAL 8 HB VAL 8 3.913 1.876 1.526 64 HG11 VAL 8 HG11 VAL 8 3.922 -0.876 2.770 65 HG12 VAL 8 HG12 VAL 8 4.615 -0.335 1.235 66 HG13 VAL 8 HG13 VAL 8 5.395 0.056 2.790 67 HG21 VAL 8 HG21 VAL 8 1.535 1.729 2.001 68 HG22 VAL 8 HG22 VAL 8 2.043 0.182 1.308 69 HG23 VAL 8 HG23 VAL 8 1.785 0.316 3.049 70 H GLY 9 H GLY 9 5.912 1.410 5.308 71 HA2 GLY 9 HA2 GLY 9 7.716 3.296 3.902 72 HA3 GLY 9 HA3 GLY 9 7.530 3.537 5.604 73 H SER 10 H SER 10 9.911 3.226 5.091 74 HA SER 10 HA SER 10 11.849 2.159 5.448 75 HB2 SER 10 HB2 SER 10 10.026 0.569 6.965 76 HB3 SER 10 HB3 SER 10 11.034 -0.552 6.069 77 HG SER 10 HG SER 10 12.135 -0.015 7.936 78 H LEU 11 H LEU 11 10.261 2.038 2.901 79 HA LEU 11 HA LEU 11 10.834 -0.357 1.528 80 HB2 LEU 11 HB2 LEU 11 10.215 2.468 0.623 81 HB3 LEU 11 HB3 LEU 11 10.659 1.244 -0.547 82 HG LEU 11 HG LEU 11 8.802 -0.179 0.027 83 HD11 LEU 11 HD11 LEU 11 8.092 1.940 2.139 84 HD12 LEU 11 HD12 LEU 11 8.460 0.224 2.434 85 HD13 LEU 11 HD13 LEU 11 7.003 0.670 1.575 86 HD21 LEU 11 HD21 LEU 11 6.935 1.296 -0.645 87 HD22 LEU 11 HD22 LEU 11 8.391 1.607 -1.588 88 HD23 LEU 11 HD23 LEU 11 7.928 2.726 -0.281 89 HA PRO 12 HA PRO 12 15.151 -0.073 0.683 90 HB2 PRO 12 HB2 PRO 12 15.263 -1.409 -1.785 91 HB3 PRO 12 HB3 PRO 12 15.105 -2.230 -0.215 92 HG2 PRO 12 HG2 PRO 12 12.994 -1.602 -2.235 93 HG3 PRO 12 HG3 PRO 12 13.107 -3.017 -1.179 94 HD2 PRO 12 HD2 PRO 12 11.412 -0.996 -0.642 95 HD3 PRO 12 HD3 PRO 12 12.189 -1.987 0.628 96 H ARG 13 H ARG 13 16.673 1.152 -0.560 97 HA ARG 13 HA ARG 13 15.565 3.427 -1.941 98 HB2 ARG 13 HB2 ARG 13 18.365 2.344 -1.571 99 HB3 ARG 13 HB3 ARG 13 18.083 3.437 -2.906 100 HG2 ARG 13 HG2 ARG 13 18.808 4.826 -1.262 101 HG3 ARG 13 HG3 ARG 13 17.078 5.117 -1.300 102 HD2 ARG 13 HD2 ARG 13 16.724 4.135 0.800 103 HD3 ARG 13 HD3 ARG 13 18.138 3.088 0.664 104 HE ARG 13 HE ARG 13 18.077 5.811 1.695 105 HH11 ARG 13 HH11 ARG 13 20.189 3.229 0.408 106 HH12 ARG 13 HH12 ARG 13 21.649 4.091 0.700 107 HH21 ARG 13 HH21 ARG 13 20.028 6.818 2.340 108 HH22 ARG 13 HH22 ARG 13 21.542 6.240 1.696 109 H ASP 14 H ASP 14 16.598 0.264 -3.176 110 HA ASP 14 HA ASP 14 16.365 1.223 -5.939 111 HB2 ASP 14 HB2 ASP 14 18.027 -0.637 -4.787 112 HB3 ASP 14 HB3 ASP 14 16.835 -1.621 -5.640 113 H ILE 15 H ILE 15 13.970 0.764 -3.991 114 HA ILE 15 HA ILE 15 12.275 -1.265 -4.978 115 HB ILE 15 HB ILE 15 11.960 0.081 -2.910 116 HG12 ILE 15 HG12 ILE 15 9.524 0.572 -3.172 117 HG13 ILE 15 HG13 ILE 15 9.657 0.113 -4.858 118 HG21 ILE 15 HG21 ILE 15 11.013 2.309 -4.696 119 HG22 ILE 15 HG22 ILE 15 11.172 2.305 -2.913 120 HG23 ILE 15 HG23 ILE 15 12.604 2.309 -3.933 121 HD11 ILE 15 HD11 ILE 15 10.343 -2.167 -4.143 122 HD12 ILE 15 HD12 ILE 15 10.216 -1.638 -2.433 123 HD13 ILE 15 HD13 ILE 15 8.778 -1.690 -3.465 124 H THR 16 H THR 16 10.654 -1.307 -6.669 125 HA THR 16 HA THR 16 10.725 0.953 -8.605 126 HB THR 16 HB THR 16 10.548 -0.724 -10.357 127 HG1 THR 16 HG1 THR 16 11.071 -2.627 -8.307 128 HG21 THR 16 HG21 THR 16 12.843 0.009 -9.708 129 HG22 THR 16 HG22 THR 16 12.787 -1.660 -10.306 130 HG23 THR 16 HG23 THR 16 12.937 -1.358 -8.573 131 H ALA 17 H ALA 17 8.804 1.239 -9.860 132 HA ALA 17 HA ALA 17 6.387 1.040 -8.353 133 HB1 ALA 17 HB1 ALA 17 5.334 1.780 -10.495 134 HB2 ALA 17 HB2 ALA 17 6.743 2.772 -10.079 135 HB3 ALA 17 HB3 ALA 17 6.883 1.519 -11.325 136 H VAL 18 H VAL 18 7.921 -1.064 -10.765 137 HA VAL 18 HA VAL 18 5.591 -2.619 -11.292 138 HB VAL 18 HB VAL 18 7.238 -2.850 -12.903 139 HG11 VAL 18 HG11 VAL 18 9.237 -2.082 -11.711 140 HG12 VAL 18 HG12 VAL 18 9.308 -3.636 -10.834 141 HG13 VAL 18 HG13 VAL 18 9.558 -3.571 -12.573 142 HG21 VAL 18 HG21 VAL 18 7.564 -5.429 -11.325 143 HG22 VAL 18 HG22 VAL 18 6.171 -5.036 -12.355 144 HG23 VAL 18 HG23 VAL 18 7.781 -5.201 -13.067 145 H GLU 19 H GLU 19 8.221 -2.975 -8.866 146 HA GLU 19 HA GLU 19 7.144 -5.417 -7.795 147 HB2 GLU 19 HB2 GLU 19 9.021 -3.311 -6.702 148 HB3 GLU 19 HB3 GLU 19 8.707 -4.859 -5.901 149 HG2 GLU 19 HG2 GLU 19 9.614 -6.143 -7.680 150 HG3 GLU 19 HG3 GLU 19 9.664 -4.792 -8.802 151 H LEU 20 H LEU 20 6.652 -1.933 -7.082 152 HA LEU 20 HA LEU 20 5.192 -2.431 -4.646 153 HB2 LEU 20 HB2 LEU 20 5.194 -0.101 -6.608 154 HB3 LEU 20 HB3 LEU 20 4.107 -0.152 -5.227 155 HG LEU 20 HG LEU 20 7.145 -0.123 -5.127 156 HD11 LEU 20 HD11 LEU 20 6.766 2.052 -4.052 157 HD12 LEU 20 HD12 LEU 20 5.011 1.849 -4.208 158 HD13 LEU 20 HD13 LEU 20 6.023 2.008 -5.670 159 HD21 LEU 20 HD21 LEU 20 5.142 -0.271 -2.819 160 HD22 LEU 20 HD22 LEU 20 6.866 0.124 -2.657 161 HD23 LEU 20 HD23 LEU 20 6.397 -1.464 -3.216 162 H GLN 21 H GLN 21 4.164 -2.075 -8.064 163 HA GLN 21 HA GLN 21 1.386 -2.405 -7.528 164 HB2 GLN 21 HB2 GLN 21 3.069 -3.145 -9.964 165 HB3 GLN 21 HB3 GLN 21 1.323 -3.427 -9.842 166 HG2 GLN 21 HG2 GLN 21 1.054 -0.998 -9.288 167 HG3 GLN 21 HG3 GLN 21 2.719 -0.743 -9.826 168 HE21 GLN 21 HE21 GLN 21 -0.516 -0.944 -10.730 169 HE22 GLN 21 HE22 GLN 21 -0.347 -0.986 -12.473 170 H ASN 22 H ASN 22 3.936 -4.814 -8.317 171 HA ASN 22 HA ASN 22 2.336 -7.098 -8.193 172 HB2 ASN 22 HB2 ASN 22 4.704 -6.991 -8.986 173 HB3 ASN 22 HB3 ASN 22 5.252 -6.756 -7.325 174 HD21 ASN 22 HD21 ASN 22 6.335 -8.672 -6.804 175 HD22 ASN 22 HD22 ASN 22 5.698 -10.247 -7.177 176 H HIS 23 H HIS 23 4.035 -5.532 -5.386 177 HA HIS 23 HA HIS 23 3.250 -7.608 -3.586 178 HB2 HIS 23 HB2 HIS 23 4.720 -5.098 -3.392 179 HB3 HIS 23 HB3 HIS 23 3.629 -5.313 -2.016 180 HD2 HIS 23 HD2 HIS 23 4.027 -7.570 -0.539 181 HE1 HIS 23 HE1 HIS 23 7.778 -8.625 -2.281 182 HE2 HIS 23 HE2 HIS 23 6.183 -9.165 -0.399 183 H PHE 24 H PHE 24 1.496 -4.735 -4.595 184 HA PHE 24 HA PHE 24 -0.715 -5.448 -2.666 185 HB2 PHE 24 HB2 PHE 24 -0.091 -2.803 -3.946 186 HB3 PHE 24 HB3 PHE 24 -1.439 -3.136 -2.881 187 HD1 PHE 24 HD1 PHE 24 -1.064 -3.730 -0.466 188 HD2 PHE 24 HD2 PHE 24 2.139 -2.370 -3.020 189 HE1 PHE 24 HE1 PHE 24 0.302 -3.145 1.530 190 HE2 PHE 24 HE2 PHE 24 3.454 -1.721 -1.052 191 HZ PHE 24 HZ PHE 24 2.562 -2.163 1.245 192 H LYS 25 H LYS 25 0.047 -6.090 -5.743 193 HA LYS 25 HA LYS 25 -2.137 -5.364 -7.290 194 HB2 LYS 25 HB2 LYS 25 0.086 -7.215 -7.426 195 HB3 LYS 25 HB3 LYS 25 -1.300 -8.031 -8.060 196 HG2 LYS 25 HG2 LYS 25 -0.620 -5.198 -8.975 197 HG3 LYS 25 HG3 LYS 25 0.216 -6.611 -9.643 198 HD2 LYS 25 HD2 LYS 25 -1.824 -7.580 -10.389 199 HD3 LYS 25 HD3 LYS 25 -2.809 -6.361 -9.576 200 HE2 LYS 25 HE2 LYS 25 -2.840 -5.828 -11.872 201 HE3 LYS 25 HE3 LYS 25 -1.827 -4.616 -11.087 202 HZ1 LYS 25 HZ1 LYS 25 -0.879 -5.383 -13.140 203 HZ2 LYS 25 HZ2 LYS 25 -0.839 -6.958 -12.609 204 HZ3 LYS 25 HZ3 LYS 25 0.103 -5.793 -11.907 205 H ASN 26 H ASN 26 -1.893 -8.188 -5.128 206 HA ASN 26 HA ASN 26 -4.415 -9.283 -5.707 207 HB2 ASN 26 HB2 ASN 26 -2.303 -10.029 -4.114 208 HB3 ASN 26 HB3 ASN 26 -3.429 -9.513 -2.881 209 HD21 ASN 26 HD21 ASN 26 -3.614 -11.361 -6.038 210 HD22 ASN 26 HD22 ASN 26 -4.622 -12.610 -5.394 211 H SER 27 H SER 27 -3.575 -6.610 -3.504 212 HA SER 27 HA SER 27 -6.279 -6.368 -2.420 213 HB2 SER 27 HB2 SER 27 -5.061 -4.205 -1.470 214 HB3 SER 27 HB3 SER 27 -4.799 -5.783 -0.778 215 HG SER 27 HG SER 27 -3.121 -4.702 -2.779 216 H SER 28 H SER 28 -4.557 -5.222 -5.169 217 HA SER 28 HA SER 28 -4.957 -3.763 -6.802 218 HB2 SER 28 HB2 SER 28 -7.891 -3.746 -6.278 219 HB3 SER 28 HB3 SER 28 -6.997 -3.851 -7.785 220 HG SER 28 HG SER 28 -6.400 -6.016 -7.087 221 HA PRO 29 HA PRO 29 -5.380 0.141 -4.218 222 HB2 PRO 29 HB2 PRO 29 -2.992 1.263 -4.884 223 HB3 PRO 29 HB3 PRO 29 -3.155 0.049 -3.579 224 HG2 PRO 29 HG2 PRO 29 -2.305 -0.420 -6.454 225 HG3 PRO 29 HG3 PRO 29 -1.513 -1.005 -4.966 226 HD2 PRO 29 HD2 PRO 29 -3.172 -2.598 -6.357 227 HD3 PRO 29 HD3 PRO 29 -3.154 -2.610 -4.565 228 H ASP 30 H ASP 30 -5.566 2.324 -5.034 229 HA ASP 30 HA ASP 30 -6.541 2.468 -7.802 230 HB2 ASP 30 HB2 ASP 30 -7.870 3.427 -5.898 231 HB3 ASP 30 HB3 ASP 30 -6.534 4.491 -5.501 232 H GLN 31 H GLN 31 -4.293 4.017 -5.546 233 HA GLN 31 HA GLN 31 -2.715 4.971 -7.853 234 HB2 GLN 31 HB2 GLN 31 -4.281 6.661 -6.450 235 HB3 GLN 31 HB3 GLN 31 -2.883 6.660 -5.374 236 HG2 GLN 31 HG2 GLN 31 -2.792 8.530 -6.898 237 HG3 GLN 31 HG3 GLN 31 -1.455 7.436 -7.249 238 HE21 GLN 31 HE21 GLN 31 -4.713 8.478 -8.339 239 HE22 GLN 31 HE22 GLN 31 -4.466 8.044 -10.023 240 H ILE 32 H ILE 32 -0.489 5.491 -7.455 241 HA ILE 32 HA ILE 32 0.733 4.370 -5.066 242 HB ILE 32 HB ILE 32 1.613 3.416 -7.813 243 HG12 ILE 32 HG12 ILE 32 0.115 1.742 -5.754 244 HG13 ILE 32 HG13 ILE 32 -0.668 2.442 -7.178 245 HG21 ILE 32 HG21 ILE 32 2.342 2.245 -5.095 246 HG22 ILE 32 HG22 ILE 32 3.106 1.932 -6.664 247 HG23 ILE 32 HG23 ILE 32 3.317 3.492 -5.892 248 HD11 ILE 32 HD11 ILE 32 -0.141 0.164 -7.614 249 HD12 ILE 32 HD12 ILE 32 0.734 1.259 -8.708 250 HD13 ILE 32 HD13 ILE 32 1.587 0.462 -7.365 251 H ARG 33 H ARG 33 2.304 5.771 -4.478 252 HA ARG 33 HA ARG 33 3.832 7.414 -6.387 253 HB2 ARG 33 HB2 ARG 33 1.767 8.363 -4.462 254 HB3 ARG 33 HB3 ARG 33 3.343 9.017 -4.082 255 HG2 ARG 33 HG2 ARG 33 2.575 10.620 -5.498 256 HG3 ARG 33 HG3 ARG 33 3.513 9.606 -6.599 257 HD2 ARG 33 HD2 ARG 33 1.664 9.859 -7.864 258 HD3 ARG 33 HD3 ARG 33 1.198 8.393 -6.988 259 HE ARG 33 HE ARG 33 0.209 10.365 -5.394 260 HH11 ARG 33 HH11 ARG 33 -0.185 9.499 -8.821 261 HH12 ARG 33 HH12 ARG 33 -1.581 10.479 -9.098 262 HH21 ARG 33 HH21 ARG 33 -1.911 11.354 -5.637 263 HH22 ARG 33 HH22 ARG 33 -2.612 11.494 -7.211 264 H LEU 34 H LEU 34 5.821 6.474 -5.989 265 HA LEU 34 HA LEU 34 6.513 5.645 -3.245 266 HB2 LEU 34 HB2 LEU 34 6.790 4.114 -5.105 267 HB3 LEU 34 HB3 LEU 34 7.863 5.219 -5.928 268 HG LEU 34 HG LEU 34 8.825 3.080 -4.597 269 HD11 LEU 34 HD11 LEU 34 10.013 5.909 -4.556 270 HD12 LEU 34 HD12 LEU 34 10.248 4.650 -5.758 271 HD13 LEU 34 HD13 LEU 34 10.912 4.466 -4.125 272 HD21 LEU 34 HD21 LEU 34 8.833 5.150 -2.350 273 HD22 LEU 34 HD22 LEU 34 9.447 3.508 -2.332 274 HD23 LEU 34 HD23 LEU 34 7.702 3.782 -2.448 275 H ARG 35 H ARG 35 7.418 7.131 -1.947 276 HA ARG 35 HA ARG 35 9.097 9.310 -3.158 277 HB2 ARG 35 HB2 ARG 35 7.703 9.092 -0.457 278 HB3 ARG 35 HB3 ARG 35 8.981 10.253 -0.813 279 HG2 ARG 35 HG2 ARG 35 7.110 11.522 -1.193 280 HG3 ARG 35 HG3 ARG 35 7.546 11.000 -2.822 281 HD2 ARG 35 HD2 ARG 35 5.827 9.183 -2.648 282 HD3 ARG 35 HD3 ARG 35 5.383 9.778 -1.052 283 HE ARG 35 HE ARG 35 4.877 10.893 -3.691 284 HH11 ARG 35 HH11 ARG 35 4.805 11.856 -0.227 285 HH12 ARG 35 HH12 ARG 35 3.789 13.192 -0.508 286 HH21 ARG 35 HH21 ARG 35 3.574 12.776 -3.992 287 HH22 ARG 35 HH22 ARG 35 2.941 13.643 -2.639 288 H ALA 36 H ALA 36 10.815 7.819 -3.637 289 HA ALA 36 HA ALA 36 12.021 6.043 -1.833 290 HB1 ALA 36 HB1 ALA 36 12.570 6.031 -4.216 291 HB2 ALA 36 HB2 ALA 36 13.297 7.636 -4.082 292 HB3 ALA 36 HB3 ALA 36 14.042 6.256 -3.260 293 H ASP 37 H ASP 37 12.383 9.539 -2.107 294 HA ASP 37 HA ASP 37 14.621 10.201 -0.736 295 HB2 ASP 37 HB2 ASP 37 11.840 11.416 -0.763 296 HB3 ASP 37 HB3 ASP 37 13.179 12.201 0.067 297 H LYS 38 H LYS 38 11.635 8.992 0.663 298 HA LYS 38 HA LYS 38 12.838 9.033 3.412 299 HB2 LYS 38 HB2 LYS 38 10.042 9.627 2.495 300 HB3 LYS 38 HB3 LYS 38 10.383 9.199 4.175 301 HG2 LYS 38 HG2 LYS 38 11.938 11.460 2.914 302 HG3 LYS 38 HG3 LYS 38 10.243 11.724 3.287 303 HD2 LYS 38 HD2 LYS 38 12.093 10.622 5.409 304 HD3 LYS 38 HD3 LYS 38 12.068 12.347 5.051 305 HE2 LYS 38 HE2 LYS 38 9.537 10.796 5.761 306 HE3 LYS 38 HE3 LYS 38 10.564 11.602 6.957 307 HZ1 LYS 38 HZ1 LYS 38 8.772 13.024 6.308 308 HZ2 LYS 38 HZ2 LYS 38 9.126 12.932 4.741 309 HZ3 LYS 38 HZ3 LYS 38 10.180 13.690 5.808 310 H GLY 39 H GLY 39 11.849 7.124 0.828 311 HA2 GLY 39 HA2 GLY 39 11.605 4.891 0.520 312 HA3 GLY 39 HA3 GLY 39 12.199 4.617 2.162 313 H ILE 40 H ILE 40 9.282 6.372 0.894 314 HA ILE 40 HA ILE 40 7.531 4.474 2.263 315 HB ILE 40 HB ILE 40 6.151 6.635 2.803 316 HG12 ILE 40 HG12 ILE 40 8.864 7.812 3.026 317 HG13 ILE 40 HG13 ILE 40 7.933 8.059 1.537 318 HG21 ILE 40 HG21 ILE 40 8.577 5.740 4.380 319 HG22 ILE 40 HG22 ILE 40 7.435 6.929 5.023 320 HG23 ILE 40 HG23 ILE 40 6.860 5.324 4.612 321 HD11 ILE 40 HD11 ILE 40 7.091 9.007 4.303 322 HD12 ILE 40 HD12 ILE 40 7.657 10.004 2.954 323 HD13 ILE 40 HD13 ILE 40 6.117 9.142 2.819 324 H ALA 41 H ALA 41 5.331 4.706 1.532 325 HA ALA 41 HA ALA 41 5.023 5.883 -1.155 326 HB1 ALA 41 HB1 ALA 41 4.171 3.044 -0.449 327 HB2 ALA 41 HB2 ALA 41 4.252 3.804 -2.055 328 HB3 ALA 41 HB3 ALA 41 5.731 3.411 -1.213 329 H PHE 42 H PHE 42 2.710 5.836 -1.735 330 HA PHE 42 HA PHE 42 0.813 5.999 0.582 331 HB2 PHE 42 HB2 PHE 42 1.163 8.064 -1.654 332 HB3 PHE 42 HB3 PHE 42 -0.237 8.005 -0.590 333 HD1 PHE 42 HD1 PHE 42 3.353 8.794 -0.855 334 HD2 PHE 42 HD2 PHE 42 -0.065 8.673 1.768 335 HE1 PHE 42 HE1 PHE 42 4.562 10.233 0.843 336 HE2 PHE 42 HE2 PHE 42 1.111 10.216 3.348 337 HZ PHE 42 HZ PHE 42 3.378 11.001 2.855 338 H LEU 43 H LEU 43 -0.469 4.314 0.100 339 HA LEU 43 HA LEU 43 -1.252 3.882 -2.764 340 HB2 LEU 43 HB2 LEU 43 -1.066 1.959 -0.428 341 HB3 LEU 43 HB3 LEU 43 -1.934 1.620 -1.935 342 HG LEU 43 HG LEU 43 0.352 2.350 -3.091 343 HD11 LEU 43 HD11 LEU 43 2.340 1.609 -1.817 344 HD12 LEU 43 HD12 LEU 43 1.313 1.279 -0.418 345 HD13 LEU 43 HD13 LEU 43 1.554 2.940 -0.949 346 HD21 LEU 43 HD21 LEU 43 -0.630 0.190 -3.380 347 HD22 LEU 43 HD22 LEU 43 -0.113 -0.330 -1.759 348 HD23 LEU 43 HD23 LEU 43 1.100 -0.004 -3.019 349 H GLU 44 H GLU 44 -3.139 4.694 -3.251 350 HA GLU 44 HA GLU 44 -5.130 5.394 -1.183 351 HB2 GLU 44 HB2 GLU 44 -4.708 5.931 -4.152 352 HB3 GLU 44 HB3 GLU 44 -6.133 6.451 -3.290 353 HG2 GLU 44 HG2 GLU 44 -4.855 7.949 -1.873 354 HG3 GLU 44 HG3 GLU 44 -3.324 7.270 -2.435 355 H PHE 45 H PHE 45 -7.335 4.610 -1.439 356 HA PHE 45 HA PHE 45 -7.897 2.534 -3.458 357 HB2 PHE 45 HB2 PHE 45 -8.163 2.176 -0.441 358 HB3 PHE 45 HB3 PHE 45 -8.817 1.103 -1.661 359 HD1 PHE 45 HD2 PHE 45 -5.507 2.437 -0.409 360 HD2 PHE 45 HD1 PHE 45 -7.666 -0.802 -2.279 361 HE1 PHE 45 HE2 PHE 45 -3.535 0.975 -0.171 362 HE2 PHE 45 HE1 PHE 45 -5.748 -2.275 -1.916 363 HZ PHE 45 HZ PHE 45 -3.633 -1.397 -0.914 364 H ASP 46 H ASP 46 -10.049 2.680 -4.098 365 HA ASP 46 HA ASP 46 -11.795 4.729 -2.820 366 HB2 ASP 46 HB2 ASP 46 -11.381 5.242 -5.106 367 HB3 ASP 46 HB3 ASP 46 -11.850 3.600 -5.601 368 H ALA 47 H ALA 47 -13.099 4.090 -1.474 369 HA ALA 47 HA ALA 47 -14.165 1.397 -1.247 370 HB1 ALA 47 HB1 ALA 47 -15.174 2.209 0.778 371 HB2 ALA 47 HB2 ALA 47 -13.574 2.969 0.700 372 HB3 ALA 47 HB3 ALA 47 -15.018 3.899 0.263 373 H ASP 48 H ASP 48 -15.097 4.391 -2.889 374 HA ASP 48 HA ASP 48 -17.956 3.976 -2.769 375 HB2 ASP 48 HB2 ASP 48 -16.754 6.106 -3.518 376 HB3 ASP 48 HB3 ASP 48 -16.399 5.289 -5.041 377 H LYS 49 H LYS 49 -15.241 2.707 -4.614 378 HA LYS 49 HA LYS 49 -16.660 1.426 -6.722 379 HB2 LYS 49 HB2 LYS 49 -14.040 1.758 -6.067 380 HB3 LYS 49 HB3 LYS 49 -14.241 0.082 -5.594 381 HG2 LYS 49 HG2 LYS 49 -14.778 1.311 -8.329 382 HG3 LYS 49 HG3 LYS 49 -13.361 0.371 -7.855 383 HD2 LYS 49 HD2 LYS 49 -15.210 -1.496 -7.330 384 HD3 LYS 49 HD3 LYS 49 -16.151 -0.574 -8.502 385 HE2 LYS 49 HE2 LYS 49 -13.358 -1.744 -8.910 386 HE3 LYS 49 HE3 LYS 49 -14.859 -2.449 -9.523 387 HZ1 LYS 49 HZ1 LYS 49 -15.127 -0.517 -10.921 388 HZ2 LYS 49 HZ2 LYS 49 -13.693 -1.248 -11.197 389 HZ3 LYS 49 HZ3 LYS 49 -13.712 0.158 -10.352 390 H ASP 50 H ASP 50 -16.163 0.367 -3.302 391 HA ASP 50 HA ASP 50 -18.198 -1.683 -3.743 392 HB2 ASP 50 HB2 ASP 50 -15.966 -2.732 -4.444 393 HB3 ASP 50 HB3 ASP 50 -15.494 -2.601 -2.741 394 H ARG 51 H ARG 51 -19.515 -1.176 -2.076 395 HA ARG 51 HA ARG 51 -18.570 -0.263 0.479 396 HB2 ARG 51 HB2 ARG 51 -21.225 -1.522 -0.409 397 HB3 ARG 51 HB3 ARG 51 -20.941 -0.964 1.227 398 HG2 ARG 51 HG2 ARG 51 -20.585 1.365 0.345 399 HG3 ARG 51 HG3 ARG 51 -21.144 0.776 -1.256 400 HD2 ARG 51 HD2 ARG 51 -23.186 -0.145 -0.126 401 HD3 ARG 51 HD3 ARG 51 -22.570 0.509 1.410 402 HE ARG 51 HE ARG 51 -23.043 2.394 -0.783 403 HH11 ARG 51 HH11 ARG 51 -24.397 0.980 2.262 404 HH12 ARG 51 HH12 ARG 51 -25.479 2.319 2.481 405 HH21 ARG 51 HH21 ARG 51 -24.747 3.901 -0.587 406 HH22 ARG 51 HH22 ARG 51 -25.755 3.907 0.826 407 H THR 52 H THR 52 -18.813 -3.602 -0.770 408 HA THR 52 HA THR 52 -18.322 -4.453 2.027 409 HB THR 52 HB THR 52 -19.609 -6.476 1.654 410 HG1 THR 52 HG1 THR 52 -20.982 -6.660 0.061 411 HG21 THR 52 HG21 THR 52 -20.442 -4.498 2.920 412 HG22 THR 52 HG22 THR 52 -21.735 -5.457 2.180 413 HG23 THR 52 HG23 THR 52 -21.237 -3.907 1.462 414 H GLY 53 H GLY 53 -16.545 -3.901 -0.376 415 HA2 GLY 53 HA2 GLY 53 -14.853 -6.341 0.012 416 HA3 GLY 53 HA3 GLY 53 -15.051 -5.622 -1.572 417 H ILE 54 H ILE 54 -14.885 -2.791 -0.057 418 HA ILE 54 HA ILE 54 -12.130 -2.360 -0.565 419 HB ILE 54 HB ILE 54 -14.062 -0.617 -0.362 420 HG12 ILE 54 HG12 ILE 54 -12.430 1.150 0.572 421 HG13 ILE 54 HG13 ILE 54 -11.333 -0.144 0.984 422 HG21 ILE 54 HG21 ILE 54 -15.001 -0.036 1.501 423 HG22 ILE 54 HG22 ILE 54 -14.114 -1.268 2.407 424 HG23 ILE 54 HG23 ILE 54 -13.470 0.336 2.295 425 HD11 ILE 54 HD11 ILE 54 -12.265 0.305 -1.830 426 HD12 ILE 54 HD12 ILE 54 -10.920 1.203 -1.056 427 HD13 ILE 54 HD13 ILE 54 -10.835 -0.573 -1.269 428 H GLN 55 H GLN 55 -13.844 -3.467 2.210 429 HA GLN 55 HA GLN 55 -11.900 -3.143 4.198 430 HB2 GLN 55 HB2 GLN 55 -14.372 -3.458 4.412 431 HB3 GLN 55 HB3 GLN 55 -14.219 -5.142 3.941 432 HG2 GLN 55 HG2 GLN 55 -14.473 -4.565 6.441 433 HG3 GLN 55 HG3 GLN 55 -13.196 -5.699 6.015 434 HE21 GLN 55 HE21 GLN 55 -11.010 -5.005 5.928 435 HE22 GLN 55 HE22 GLN 55 -10.453 -3.680 6.897 436 H ARG 56 H ARG 56 -12.767 -6.021 2.413 437 HA ARG 56 HA ARG 56 -10.679 -7.800 3.221 438 HB2 ARG 56 HB2 ARG 56 -12.122 -7.611 0.518 439 HB3 ARG 56 HB3 ARG 56 -11.152 -8.988 1.024 440 HG2 ARG 56 HG2 ARG 56 -13.475 -8.097 2.747 441 HG3 ARG 56 HG3 ARG 56 -13.765 -9.010 1.274 442 HD2 ARG 56 HD2 ARG 56 -11.820 -9.970 3.406 443 HD3 ARG 56 HD3 ARG 56 -13.548 -10.359 3.432 444 HE ARG 56 HE ARG 56 -12.763 -10.989 0.866 445 HH11 ARG 56 HH11 ARG 56 -11.743 -12.112 4.058 446 HH12 ARG 56 HH12 ARG 56 -11.245 -13.672 3.543 447 HH21 ARG 56 HH21 ARG 56 -12.350 -13.046 0.157 448 HH22 ARG 56 HH22 ARG 56 -11.676 -14.254 1.195 449 H ARG 57 H ARG 57 -10.572 -5.097 0.915 450 HA ARG 57 HA ARG 57 -8.051 -5.979 -0.298 451 HB2 ARG 57 HB2 ARG 57 -9.723 -3.436 -0.364 452 HB3 ARG 57 HB3 ARG 57 -8.119 -3.546 -1.104 453 HG2 ARG 57 HG2 ARG 57 -8.960 -5.517 -2.414 454 HG3 ARG 57 HG3 ARG 57 -10.588 -5.225 -1.774 455 HD2 ARG 57 HD2 ARG 57 -10.830 -3.231 -2.947 456 HD3 ARG 57 HD3 ARG 57 -9.127 -2.867 -2.930 457 HE ARG 57 HE ARG 57 -8.678 -4.234 -4.665 458 HH11 ARG 57 HH11 ARG 57 -12.148 -4.224 -4.044 459 HH12 ARG 57 HH12 ARG 57 -12.601 -5.367 -5.232 460 HH21 ARG 57 HH21 ARG 57 -9.135 -5.708 -6.373 461 HH22 ARG 57 HH22 ARG 57 -10.782 -6.098 -6.771 462 H MET 58 H MET 58 -9.157 -3.584 2.146 463 HA MET 58 HA MET 58 -6.640 -2.504 2.793 464 HB2 MET 58 HB2 MET 58 -9.350 -2.731 4.164 465 HB3 MET 58 HB3 MET 58 -7.955 -2.369 5.183 466 HG2 MET 58 HG2 MET 58 -7.389 -0.489 3.731 467 HG3 MET 58 HG3 MET 58 -8.771 -0.858 2.707 468 HE1 MET 58 HE1 MET 58 -11.288 1.442 3.824 469 HE2 MET 58 HE2 MET 58 -10.034 1.167 2.585 470 HE3 MET 58 HE3 MET 58 -11.101 -0.169 3.087 471 H ASP 59 H ASP 59 -8.364 -5.363 4.057 472 HA ASP 59 HA ASP 59 -6.678 -6.208 6.114 473 HB2 ASP 59 HB2 ASP 59 -8.235 -7.752 4.037 474 HB3 ASP 59 HB3 ASP 59 -7.458 -8.565 5.367 475 H ILE 60 H ILE 60 -6.466 -7.015 2.625 476 HA ILE 60 HA ILE 60 -4.102 -8.637 2.817 477 HB ILE 60 HB ILE 60 -5.498 -7.211 0.535 478 HG12 ILE 60 HG12 ILE 60 -5.196 -10.162 1.147 479 HG13 ILE 60 HG13 ILE 60 -6.604 -9.188 1.583 480 HG21 ILE 60 HG21 ILE 60 -3.120 -9.113 0.245 481 HG22 ILE 60 HG22 ILE 60 -4.064 -8.393 -1.075 482 HG23 ILE 60 HG23 ILE 60 -3.065 -7.368 -0.081 483 HD11 ILE 60 HD11 ILE 60 -6.793 -8.619 -0.936 484 HD12 ILE 60 HD12 ILE 60 -5.680 -9.980 -1.194 485 HD13 ILE 60 HD13 ILE 60 -7.243 -10.255 -0.411 486 H ALA 61 H ALA 61 -4.640 -5.143 2.195 487 HA ALA 61 HA ALA 61 -1.908 -4.574 1.570 488 HB1 ALA 61 HB1 ALA 61 -3.963 -2.695 2.819 489 HB2 ALA 61 HB2 ALA 61 -2.511 -2.262 1.896 490 HB3 ALA 61 HB3 ALA 61 -3.865 -3.064 1.082 491 H LEU 62 H LEU 62 -3.782 -4.531 4.628 492 HA LEU 62 HA LEU 62 -1.651 -3.688 6.349 493 HB2 LEU 62 HB2 LEU 62 -4.283 -5.130 6.680 494 HB3 LEU 62 HB3 LEU 62 -3.163 -5.119 8.034 495 HG LEU 62 HG LEU 62 -4.149 -2.583 6.669 496 HD11 LEU 62 HD11 LEU 62 -5.596 -2.442 8.758 497 HD12 LEU 62 HD12 LEU 62 -5.165 -4.141 9.087 498 HD13 LEU 62 HD13 LEU 62 -6.021 -3.713 7.607 499 HD21 LEU 62 HD21 LEU 62 -2.410 -3.159 9.107 500 HD22 LEU 62 HD22 LEU 62 -3.356 -1.651 8.979 501 HD23 LEU 62 HD23 LEU 62 -2.136 -2.036 7.781 502 H LEU 63 H LEU 63 -2.544 -6.884 5.062 503 HA LEU 63 HA LEU 63 -0.897 -8.380 6.853 504 HB2 LEU 63 HB2 LEU 63 -2.168 -8.955 4.177 505 HB3 LEU 63 HB3 LEU 63 -0.979 -10.074 4.812 506 HG LEU 63 HG LEU 63 -3.379 -9.211 6.465 507 HD11 LEU 63 HD11 LEU 63 -3.149 -11.614 4.602 508 HD12 LEU 63 HD12 LEU 63 -4.235 -10.221 4.400 509 HD13 LEU 63 HD13 LEU 63 -4.466 -11.318 5.760 510 HD21 LEU 63 HD21 LEU 63 -1.498 -10.277 7.709 511 HD22 LEU 63 HD22 LEU 63 -1.571 -11.664 6.613 512 HD23 LEU 63 HD23 LEU 63 -2.940 -11.305 7.683 513 H GLN 64 H GLN 64 0.068 -6.134 4.431 514 HA GLN 64 HA GLN 64 2.566 -7.562 3.876 515 HB2 GLN 64 HB2 GLN 64 1.839 -4.737 3.053 516 HB3 GLN 64 HB3 GLN 64 3.127 -5.750 2.430 517 HG2 GLN 64 HG2 GLN 64 0.148 -6.003 1.979 518 HG3 GLN 64 HG3 GLN 64 1.417 -5.737 0.793 519 HE21 GLN 64 HE21 GLN 64 -0.643 -8.068 2.044 520 HE22 GLN 64 HE22 GLN 64 0.302 -9.503 1.619 521 H HIS 65 H HIS 65 1.498 -5.915 6.595 522 HA HIS 65 HA HIS 65 3.695 -4.182 7.156 523 HB2 HIS 65 HB2 HIS 65 1.471 -4.243 8.300 524 HB3 HIS 65 HB3 HIS 65 2.009 -5.656 9.210 525 HD2 HIS 65 HD2 HIS 65 1.128 -3.286 10.860 526 HE1 HIS 65 HE1 HIS 65 4.990 -1.561 10.780 527 HE2 HIS 65 HE2 HIS 65 2.702 -1.376 11.747 528 H GLY 66 H GLY 66 5.699 -4.809 7.223 529 HA2 GLY 66 HA2 GLY 66 7.534 -5.876 8.286 530 HA3 GLY 66 HA3 GLY 66 6.521 -7.251 8.697 531 H THR 67 H THR 67 5.866 -6.544 5.345 532 HA THR 67 HA THR 67 7.329 -8.914 4.708 533 HB THR 67 HB THR 67 6.695 -8.525 2.363 534 HG1 THR 67 HG1 THR 67 4.922 -7.015 2.162 535 HG21 THR 67 HG21 THR 67 4.286 -8.959 2.783 536 HG22 THR 67 HG22 THR 67 4.498 -8.428 4.473 537 HG23 THR 67 HG23 THR 67 5.331 -9.863 3.877 538 H LEU 68 H LEU 68 9.103 -9.297 3.529 539 HA LEU 68 HA LEU 68 11.175 -7.232 3.737 540 HB2 LEU 68 HB2 LEU 68 11.425 -10.176 3.031 541 HB3 LEU 68 HB3 LEU 68 12.721 -9.049 3.430 542 HG LEU 68 HG LEU 68 10.587 -10.204 5.284 543 HD11 LEU 68 HD11 LEU 68 12.568 -10.892 6.587 544 HD12 LEU 68 HD12 LEU 68 13.611 -10.150 5.368 545 HD13 LEU 68 HD13 LEU 68 12.606 -11.566 4.937 546 HD21 LEU 68 HD21 LEU 68 10.731 -7.906 5.966 547 HD22 LEU 68 HD22 LEU 68 12.515 -7.909 5.817 548 HD23 LEU 68 HD23 LEU 68 11.700 -8.846 7.088 549 H LEU 69 H LEU 69 11.556 -6.004 2.065 550 HA LEU 69 HA LEU 69 11.150 -7.037 -0.710 551 HB2 LEU 69 HB2 LEU 69 10.220 -4.568 0.703 552 HB3 LEU 69 HB3 LEU 69 10.937 -4.276 -0.872 553 HG LEU 69 HG LEU 69 8.896 -6.503 -0.563 554 HD11 LEU 69 HD11 LEU 69 7.113 -4.947 -1.071 555 HD12 LEU 69 HD12 LEU 69 8.255 -3.568 -1.055 556 HD13 LEU 69 HD13 LEU 69 7.894 -4.476 0.434 557 HD21 LEU 69 HD21 LEU 69 8.570 -6.013 -2.957 558 HD22 LEU 69 HD22 LEU 69 10.303 -6.266 -2.627 559 HD23 LEU 69 HD23 LEU 69 9.638 -4.614 -2.849 560 H LYS 70 H LYS 70 13.113 -7.200 -1.631 561 HA LYS 70 HA LYS 70 15.311 -7.092 -1.948 562 HB2 LYS 70 HB2 LYS 70 14.572 -4.207 -1.977 563 HB3 LYS 70 HB3 LYS 70 16.192 -4.671 -2.361 564 HG2 LYS 70 HG2 LYS 70 15.721 -5.522 -4.385 565 HG3 LYS 70 HG3 LYS 70 14.179 -6.186 -3.907 566 HD2 LYS 70 HD2 LYS 70 14.635 -3.176 -4.286 567 HD3 LYS 70 HD3 LYS 70 14.135 -4.232 -5.608 568 HE2 LYS 70 HE2 LYS 70 12.624 -3.912 -2.987 569 HE3 LYS 70 HE3 LYS 70 12.162 -3.090 -4.509 570 HZ1 LYS 70 HZ1 LYS 70 12.318 -6.045 -4.186 571 HZ2 LYS 70 HZ2 LYS 70 11.968 -5.222 -5.530 572 HZ3 LYS 70 HZ3 LYS 70 10.917 -5.144 -4.277 573 H GLU 71 H GLU 71 14.875 -7.760 0.492 574 HA GLU 71 HA GLU 71 15.679 -8.014 2.596 575 HB2 GLU 71 HB2 GLU 71 18.241 -6.770 1.565 576 HB3 GLU 71 HB3 GLU 71 18.019 -7.862 2.948 577 HG2 GLU 71 HG2 GLU 71 16.901 -9.454 1.147 578 HG3 GLU 71 HG3 GLU 71 17.824 -8.481 -0.009 579 H LYS 72 H LYS 72 14.129 -5.658 2.254 580 HA LYS 72 HA LYS 72 15.098 -4.092 4.588 581 HB2 LYS 72 HB2 LYS 72 13.969 -3.082 1.949 582 HB3 LYS 72 HB3 LYS 72 13.815 -2.157 3.415 583 HG2 LYS 72 HG2 LYS 72 16.532 -3.185 2.472 584 HG3 LYS 72 HG3 LYS 72 15.852 -1.711 1.827 585 HD2 LYS 72 HD2 LYS 72 16.395 -2.167 4.775 586 HD3 LYS 72 HD3 LYS 72 17.433 -1.281 3.640 587 HE2 LYS 72 HE2 LYS 72 15.521 0.272 3.150 588 HE3 LYS 72 HE3 LYS 72 14.562 -0.547 4.393 589 HZ1 LYS 72 HZ1 LYS 72 16.280 0.093 6.002 590 HZ2 LYS 72 HZ2 LYS 72 15.568 1.388 5.303 591 HZ3 LYS 72 HZ3 LYS 72 17.066 0.945 4.809 592 H LYS 73 H LYS 73 13.684 -4.453 6.181 593 HA LYS 73 HA LYS 73 11.136 -5.775 5.626 594 HB2 LYS 73 HB2 LYS 73 12.623 -6.352 7.574 595 HB3 LYS 73 HB3 LYS 73 12.300 -4.735 8.228 596 HG2 LYS 73 HG2 LYS 73 10.119 -5.193 8.779 597 HG3 LYS 73 HG3 LYS 73 9.906 -6.344 7.490 598 HD2 LYS 73 HD2 LYS 73 10.385 -8.110 8.783 599 HD3 LYS 73 HD3 LYS 73 11.859 -7.384 9.422 600 HE2 LYS 73 HE2 LYS 73 9.052 -6.670 10.357 601 HE3 LYS 73 HE3 LYS 73 10.069 -7.891 11.125 602 HZ1 LYS 73 HZ1 LYS 73 10.834 -5.034 10.851 603 HZ2 LYS 73 HZ2 LYS 73 11.702 -6.170 11.613 604 HZ3 LYS 73 HZ3 LYS 73 10.231 -5.691 12.198 605 H ILE 74 H ILE 74 9.604 -4.570 4.878 606 HA ILE 74 HA ILE 74 9.391 -1.716 5.403 607 HB ILE 74 HB ILE 74 7.728 -1.623 3.824 608 HG12 ILE 74 HG12 ILE 74 7.388 -4.346 2.849 609 HG13 ILE 74 HG13 ILE 74 7.002 -4.325 4.562 610 HG21 ILE 74 HG21 ILE 74 8.798 -2.450 1.830 611 HG22 ILE 74 HG22 ILE 74 10.031 -1.921 2.997 612 HG23 ILE 74 HG23 ILE 74 9.715 -3.651 2.764 613 HD11 ILE 74 HD11 ILE 74 4.998 -3.857 3.273 614 HD12 ILE 74 HD12 ILE 74 5.455 -2.399 4.170 615 HD13 ILE 74 HD13 ILE 74 5.810 -2.523 2.428 616 H ASN 75 H ASN 75 7.090 -0.863 5.854 617 HA ASN 75 HA ASN 75 5.703 -2.364 8.019 618 HB2 ASN 75 HB2 ASN 75 5.465 -0.134 9.173 619 HB3 ASN 75 HB3 ASN 75 7.120 -0.758 9.263 620 HD21 ASN 75 HD21 ASN 75 4.905 1.605 7.642 621 HD22 ASN 75 HD22 ASN 75 6.189 2.663 7.106 622 H VAL 76 H VAL 76 3.513 -1.712 8.352 623 HA VAL 76 HA VAL 76 2.424 0.041 6.242 624 HB VAL 76 HB VAL 76 1.438 -2.765 6.819 625 HG11 VAL 76 HG11 VAL 76 0.370 -0.578 5.013 626 HG12 VAL 76 HG12 VAL 76 -0.208 -2.253 4.976 627 HG13 VAL 76 HG13 VAL 76 -0.475 -1.262 6.409 628 HG21 VAL 76 HG21 VAL 76 1.871 -3.122 4.412 629 HG22 VAL 76 HG22 VAL 76 2.646 -1.533 4.341 630 HG23 VAL 76 HG23 VAL 76 3.358 -2.835 5.320 631 H GLU 77 H GLU 77 0.793 1.391 6.977 632 HA GLU 77 HA GLU 77 -0.631 0.752 9.475 633 HB2 GLU 77 HB2 GLU 77 0.671 3.478 9.083 634 HB3 GLU 77 HB3 GLU 77 -0.206 2.928 10.481 635 HG2 GLU 77 HG2 GLU 77 2.494 1.879 9.564 636 HG3 GLU 77 HG3 GLU 77 2.247 3.092 10.798 637 H LEU 78 H LEU 78 -2.261 2.727 9.794 638 HA LEU 78 HA LEU 78 -3.639 3.114 7.180 639 HB2 LEU 78 HB2 LEU 78 -4.460 2.996 10.092 640 HB3 LEU 78 HB3 LEU 78 -5.378 4.026 9.020 641 HG LEU 78 HG LEU 78 -6.414 1.899 9.332 642 HD11 LEU 78 HD11 LEU 78 -6.791 3.229 7.264 643 HD12 LEU 78 HD12 LEU 78 -7.026 1.500 7.020 644 HD13 LEU 78 HD13 LEU 78 -5.541 2.275 6.434 645 HD21 LEU 78 HD21 LEU 78 -5.570 -0.161 8.423 646 HD22 LEU 78 HD22 LEU 78 -4.379 0.506 9.544 647 HD23 LEU 78 HD23 LEU 78 -4.106 0.649 7.796 648 H THR 79 H THR 79 -4.348 5.173 6.558 649 HA THR 79 HA THR 79 -3.637 7.467 8.212 650 HB THR 79 HB THR 79 -1.581 7.168 7.122 651 HG1 THR 79 HG1 THR 79 -2.431 9.246 7.197 652 HG21 THR 79 HG21 THR 79 -1.432 7.271 4.533 653 HG22 THR 79 HG22 THR 79 -2.992 6.414 4.706 654 HG23 THR 79 HG23 THR 79 -1.573 5.769 5.463 655 H VAL 80 H VAL 80 -5.873 7.586 8.395 656 HA VAL 80 HA VAL 80 -7.136 9.251 6.493 657 HB VAL 80 HB VAL 80 -7.489 7.499 5.019 658 HG11 VAL 80 HG11 VAL 80 -6.926 5.575 6.575 659 HG12 VAL 80 HG12 VAL 80 -8.626 5.623 7.101 660 HG13 VAL 80 HG13 VAL 80 -8.195 5.316 5.407 661 HG21 VAL 80 HG21 VAL 80 -9.507 8.818 5.416 662 HG22 VAL 80 HG22 VAL 80 -9.857 7.171 4.865 663 HG23 VAL 80 HG23 VAL 80 -10.081 7.593 6.569 664 H GLY 81 H GLY 81 -8.086 6.766 8.809 665 HA2 GLY 81 HA2 GLY 81 -10.134 8.380 10.063 666 HA3 GLY 81 HA3 GLY 81 -9.446 6.880 10.710 667 H GLY 82 H GLY 82 -6.689 7.854 10.698 668 HA2 GLY 82 HA2 GLY 82 -6.254 10.250 12.157 669 HA3 GLY 82 HA3 GLY 82 -6.362 8.850 13.256
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