NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19163 | 2ee0 | 10268 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 13.231 -16.894 -33.760 2 HA2 GLY 1 1HA GLY 1 14.232 -18.334 -35.760 3 HA3 GLY 1 2HA GLY 1 14.786 -18.597 -34.113 4 H SER 2 H SER 2 14.835 -20.665 -33.580 5 HA SER 2 HA SER 2 13.010 -22.525 -34.921 6 HB2 SER 2 1HB SER 2 15.332 -23.151 -35.092 7 HB3 SER 2 2HB SER 2 15.555 -22.985 -33.351 8 HG SER 2 HG SER 2 15.039 -25.014 -33.275 9 H SER 3 H SER 3 14.405 -22.172 -31.654 10 HA SER 3 HA SER 3 12.049 -23.465 -30.526 11 HB2 SER 3 1HB SER 3 13.383 -23.281 -28.371 12 HB3 SER 3 2HB SER 3 14.105 -24.279 -29.632 13 HG SER 3 HG SER 3 14.781 -21.576 -29.582 14 H GLY 4 H GLY 4 10.763 -22.528 -28.895 15 HA2 GLY 4 1HA GLY 4 10.688 -19.592 -29.041 16 HA3 GLY 4 2HA GLY 4 9.337 -20.628 -28.606 17 H SER 5 H SER 5 9.221 -21.494 -26.503 18 HA SER 5 HA SER 5 11.175 -20.527 -24.555 19 HB2 SER 5 1HB SER 5 9.379 -19.678 -23.076 20 HB3 SER 5 2HB SER 5 9.461 -18.786 -24.596 21 HG SER 5 HG SER 5 7.752 -20.995 -24.431 22 H SER 6 H SER 6 10.833 -21.512 -22.390 23 HA SER 6 HA SER 6 9.831 -24.261 -22.698 24 HB2 SER 6 1HB SER 6 11.810 -23.222 -20.657 25 HB3 SER 6 2HB SER 6 11.394 -24.908 -20.964 26 HG SER 6 HG SER 6 12.891 -24.890 -22.421 27 H GLY 7 H GLY 7 10.100 -21.667 -20.266 28 HA2 GLY 7 1HA GLY 7 7.959 -21.001 -19.202 29 HA3 GLY 7 2HA GLY 7 7.620 -22.719 -19.049 30 H ASN 8 H ASN 8 8.182 -20.267 -17.183 31 HA ASN 8 HA ASN 8 9.390 -21.850 -15.108 32 HB2 ASN 8 1HB ASN 8 11.279 -20.403 -14.659 33 HB3 ASN 8 2HB ASN 8 11.374 -20.965 -16.326 34 HD21 ASN 8 1HD2 ASN 8 12.362 -19.374 -17.369 35 HD22 ASN 8 2HD2 ASN 8 11.864 -17.720 -17.375 36 H ASP 9 H ASP 9 9.692 -20.391 -13.076 37 HA ASP 9 HA ASP 9 7.168 -19.045 -12.675 38 HB2 ASP 9 1HB ASP 9 7.590 -19.204 -10.390 39 HB3 ASP 9 2HB ASP 9 8.421 -20.621 -11.026 40 H ASN 10 H ASN 10 6.951 -16.905 -11.828 41 HA ASN 10 HA ASN 10 9.195 -15.112 -11.832 42 HB2 ASN 10 1HB ASN 10 8.802 -13.888 -13.745 43 HB3 ASN 10 2HB ASN 10 8.341 -15.493 -14.304 44 HD21 ASN 10 1HD2 ASN 10 7.353 -12.299 -13.820 45 HD22 ASN 10 2HD2 ASN 10 5.686 -12.494 -14.229 46 H ARG 11 H ARG 11 8.808 -13.364 -10.579 47 HA ARG 11 HA ARG 11 6.022 -12.747 -9.875 48 HB2 ARG 11 1HB ARG 11 6.933 -12.316 -7.508 49 HB3 ARG 11 2HB ARG 11 6.672 -13.985 -7.999 50 HG2 ARG 11 1HG ARG 11 9.362 -12.792 -8.417 51 HG3 ARG 11 2HG ARG 11 8.876 -13.238 -6.780 52 HD2 ARG 11 1HD ARG 11 8.484 -15.509 -7.455 53 HD3 ARG 11 2HD ARG 11 8.751 -15.097 -9.149 54 HE ARG 11 HE ARG 11 11.089 -14.408 -8.043 55 HH11 ARG 11 1HH1 ARG 11 9.150 -17.285 -7.748 56 HH12 ARG 11 2HH1 ARG 11 10.506 -18.328 -7.477 57 HH21 ARG 11 1HH2 ARG 11 12.882 -15.772 -7.688 58 HH22 ARG 11 2HH2 ARG 11 12.629 -17.466 -7.442 59 HA PRO 12 HA PRO 12 7.145 -8.556 -10.564 60 HB2 PRO 12 1HB PRO 12 5.384 -7.304 -8.920 61 HB3 PRO 12 2HB PRO 12 4.902 -8.075 -10.436 62 HG2 PRO 12 1HG PRO 12 4.705 -9.115 -7.636 63 HG3 PRO 12 2HG PRO 12 3.516 -9.203 -8.948 64 HD2 PRO 12 1HD PRO 12 5.111 -11.288 -8.284 65 HD3 PRO 12 2HD PRO 12 4.567 -10.995 -9.948 66 H VAL 13 H VAL 13 7.694 -6.502 -9.338 67 HA VAL 13 HA VAL 13 8.855 -7.035 -6.697 68 HB VAL 13 HB VAL 13 10.701 -7.366 -8.218 69 HG11 VAL 13 1HG1 VAL 13 11.400 -5.785 -9.849 70 HG12 VAL 13 2HG1 VAL 13 9.669 -6.034 -10.086 71 HG13 VAL 13 3HG1 VAL 13 10.249 -4.581 -9.270 72 HG21 VAL 13 3HG2 VAL 13 11.646 -4.775 -7.470 73 HG22 VAL 13 1HG2 VAL 13 10.627 -5.418 -6.181 74 HG23 VAL 13 2HG2 VAL 13 12.017 -6.342 -6.750 75 H PHE 14 H PHE 14 8.650 -5.389 -5.290 76 HA PHE 14 HA PHE 14 7.074 -3.119 -6.055 77 HB2 PHE 14 1HB PHE 14 8.300 -4.049 -3.471 78 HB3 PHE 14 2HB PHE 14 7.548 -2.462 -3.598 79 HD1 PHE 14 1HD PHE 14 5.129 -2.470 -4.629 80 HD2 PHE 14 2HD PHE 14 7.009 -5.832 -2.819 81 HE1 PHE 14 1HE PHE 14 2.922 -3.481 -4.222 82 HE2 PHE 14 2HE PHE 14 4.806 -6.849 -2.410 83 HZ PHE 14 HZ PHE 14 2.759 -5.673 -3.113 84 H LYS 15 H LYS 15 7.666 -0.911 -5.832 85 HA LYS 15 HA LYS 15 10.105 -0.211 -6.985 86 HB2 LYS 15 1HB LYS 15 7.844 1.122 -6.621 87 HB3 LYS 15 2HB LYS 15 8.705 1.749 -5.221 88 HG2 LYS 15 1HG LYS 15 10.489 2.561 -6.655 89 HG3 LYS 15 2HG LYS 15 9.673 1.889 -8.070 90 HD2 LYS 15 1HD LYS 15 7.671 3.358 -7.236 91 HD3 LYS 15 2HD LYS 15 8.941 4.250 -6.393 92 HE2 LYS 15 1HE LYS 15 8.574 5.298 -8.511 93 HE3 LYS 15 2HE LYS 15 10.131 4.474 -8.571 94 HZ1 LYS 15 3HZ LYS 15 8.187 4.226 -10.415 95 HZ2 LYS 15 1HZ LYS 15 7.909 2.863 -9.452 96 HZ3 LYS 15 2HZ LYS 15 9.424 3.099 -10.165 97 H GLU 16 H GLU 16 9.087 0.076 -3.582 98 HA GLU 16 HA GLU 16 11.866 -0.258 -2.763 99 HB2 GLU 16 1HB GLU 16 10.172 2.141 -2.077 100 HB3 GLU 16 2HB GLU 16 11.575 1.670 -1.128 101 HG2 GLU 16 1HG GLU 16 11.843 2.069 -4.072 102 HG3 GLU 16 2HG GLU 16 11.801 3.461 -2.992 103 H GLY 17 H GLY 17 12.033 -1.545 -1.034 104 HA2 GLY 17 1HA GLY 17 10.000 -3.030 0.016 105 HA3 GLY 17 2HA GLY 17 11.478 -2.673 0.898 106 H GLN 18 H GLN 18 11.450 -0.307 1.808 107 HA GLN 18 HA GLN 18 8.791 0.217 2.958 108 HB2 GLN 18 1HB GLN 18 9.644 0.447 5.120 109 HB3 GLN 18 2HB GLN 18 10.490 -0.962 4.496 110 HG2 GLN 18 1HG GLN 18 11.652 1.806 4.428 111 HG3 GLN 18 2HG GLN 18 11.882 0.694 5.776 112 HE21 GLN 18 1HE2 GLN 18 12.563 -1.585 4.959 113 HE22 GLN 18 2HE2 GLN 18 13.869 -1.588 3.828 114 H VAL 19 H VAL 19 8.233 2.347 3.262 115 HA VAL 19 HA VAL 19 10.207 4.412 2.634 116 HB VAL 19 HB VAL 19 7.503 4.387 1.297 117 HG11 VAL 19 1HG1 VAL 19 9.172 5.985 -0.163 118 HG12 VAL 19 2HG1 VAL 19 8.035 6.552 1.062 119 HG13 VAL 19 3HG1 VAL 19 9.726 6.280 1.485 120 HG21 VAL 19 3HG2 VAL 19 10.117 3.797 -0.066 121 HG22 VAL 19 1HG2 VAL 19 9.078 2.524 0.574 122 HG23 VAL 19 2HG2 VAL 19 8.481 3.595 -0.693 123 H GLU 20 H GLU 20 9.867 6.345 3.656 124 HA GLU 20 HA GLU 20 7.679 6.377 5.613 125 HB2 GLU 20 1HB GLU 20 10.388 7.671 5.530 126 HB3 GLU 20 2HB GLU 20 9.130 8.296 6.588 127 HG2 GLU 20 1HG GLU 20 10.158 6.875 8.024 128 HG3 GLU 20 2HG GLU 20 8.975 5.771 7.325 129 H VAL 21 H VAL 21 6.138 7.910 5.594 130 HA VAL 21 HA VAL 21 6.437 10.146 3.699 131 HB VAL 21 HB VAL 21 4.039 9.994 3.186 132 HG11 VAL 21 1HG1 VAL 21 4.203 8.263 1.620 133 HG12 VAL 21 2HG1 VAL 21 5.874 8.759 1.894 134 HG13 VAL 21 3HG1 VAL 21 5.249 7.299 2.662 135 HG21 VAL 21 3HG2 VAL 21 3.277 8.941 5.246 136 HG22 VAL 21 1HG2 VAL 21 2.764 8.005 3.842 137 HG23 VAL 21 2HG2 VAL 21 4.127 7.456 4.817 138 H HIS 22 H HIS 22 5.233 12.058 4.212 139 HA HIS 22 HA HIS 22 4.419 12.238 7.037 140 HB2 HIS 22 1HB HIS 22 5.407 14.459 7.168 141 HB3 HIS 22 2HB HIS 22 6.631 13.288 6.687 142 HD1 HIS 22 1HD HIS 22 6.977 13.205 3.935 143 HD2 HIS 22 2HD HIS 22 5.365 16.656 5.596 144 HE1 HIS 22 1HE HIS 22 7.305 15.001 2.206 145 HE2 HIS 22 2HE HIS 22 6.400 17.098 3.267 146 H ILE 23 H ILE 23 2.266 12.418 6.947 147 HA ILE 23 HA ILE 23 1.147 14.526 5.225 148 HB ILE 23 HB ILE 23 0.568 12.416 4.195 149 HG12 ILE 23 1HG1 ILE 23 -1.622 13.891 5.629 150 HG13 ILE 23 2HG1 ILE 23 -1.177 13.955 3.927 151 HG21 ILE 23 1HG2 ILE 23 -0.876 11.573 6.684 152 HG22 ILE 23 2HG2 ILE 23 -0.418 10.604 5.284 153 HG23 ILE 23 3HG2 ILE 23 0.816 11.155 6.416 154 HD11 ILE 23 3HD1 ILE 23 -3.266 12.806 4.168 155 HD12 ILE 23 1HD1 ILE 23 -2.030 11.653 3.665 156 HD13 ILE 23 2HD1 ILE 23 -2.565 11.696 5.345 157 HA PRO 24 HA PRO 24 -0.590 16.036 8.989 158 HB2 PRO 24 1HB PRO 24 -2.461 17.684 7.915 159 HB3 PRO 24 2HB PRO 24 -0.735 18.065 7.922 160 HG2 PRO 24 1HG PRO 24 -2.417 16.934 5.719 161 HG3 PRO 24 2HG PRO 24 -1.170 18.192 5.641 162 HD2 PRO 24 1HD PRO 24 -0.699 15.627 4.913 163 HD3 PRO 24 2HD PRO 24 0.552 16.660 5.631 164 H GLU 25 H GLU 25 -2.217 15.475 10.343 165 HA GLU 25 HA GLU 25 -3.935 13.365 9.734 166 HB2 GLU 25 1HB GLU 25 -5.018 13.833 11.873 167 HB3 GLU 25 2HB GLU 25 -3.270 13.936 12.023 168 HG2 GLU 25 1HG GLU 25 -3.989 15.766 13.221 169 HG3 GLU 25 2HG GLU 25 -3.613 16.463 11.647 170 H ASN 26 H ASN 26 -4.459 16.846 9.648 171 HA ASN 26 HA ASN 26 -7.270 16.624 9.102 172 HB2 ASN 26 1HB ASN 26 -5.997 18.600 10.200 173 HB3 ASN 26 2HB ASN 26 -5.620 19.076 8.547 174 HD21 ASN 26 1HD2 ASN 26 -6.810 21.000 8.961 175 HD22 ASN 26 2HD2 ASN 26 -8.536 20.995 8.880 176 H ALA 27 H ALA 27 -4.617 15.950 7.283 177 HA ALA 27 HA ALA 27 -4.674 17.048 4.857 178 HB1 ALA 27 3HB ALA 27 -3.258 15.178 5.250 179 HB2 ALA 27 1HB ALA 27 -4.638 14.100 5.470 180 HB3 ALA 27 2HB ALA 27 -4.287 14.771 3.876 181 HA PRO 28 HA PRO 28 -8.743 16.858 3.183 182 HB2 PRO 28 1HB PRO 28 -8.132 17.111 0.549 183 HB3 PRO 28 2HB PRO 28 -8.039 18.458 1.691 184 HG2 PRO 28 1HG PRO 28 -5.848 16.707 0.645 185 HG3 PRO 28 2HG PRO 28 -5.861 18.465 0.878 186 HD2 PRO 28 1HD PRO 28 -4.682 16.771 2.631 187 HD3 PRO 28 2HD PRO 28 -5.440 18.295 3.138 188 H VAL 29 H VAL 29 -10.142 15.359 2.387 189 HA VAL 29 HA VAL 29 -9.275 12.680 2.104 190 HB VAL 29 HB VAL 29 -11.932 13.950 1.438 191 HG11 VAL 29 1HG1 VAL 29 -12.862 11.743 1.319 192 HG12 VAL 29 2HG1 VAL 29 -11.506 11.835 0.193 193 HG13 VAL 29 3HG1 VAL 29 -11.313 11.016 1.744 194 HG21 VAL 29 3HG2 VAL 29 -11.220 12.219 3.794 195 HG22 VAL 29 1HG2 VAL 29 -11.111 13.979 3.830 196 HG23 VAL 29 2HG2 VAL 29 -12.668 13.198 3.558 197 H GLY 30 H GLY 30 -8.614 11.575 0.372 198 HA2 GLY 30 1HA GLY 30 -8.919 10.976 -1.960 199 HA3 GLY 30 2HA GLY 30 -9.219 12.674 -2.298 200 H THR 31 H THR 31 -6.734 12.428 -0.096 201 HA THR 31 HA THR 31 -4.788 13.220 -2.063 202 HB THR 31 HB THR 31 -4.257 12.661 0.854 203 HG1 THR 31 1HG THR 31 -6.030 14.302 0.109 204 HG21 THR 31 3HG2 THR 31 -2.723 13.727 -1.365 205 HG22 THR 31 1HG2 THR 31 -2.183 13.221 0.235 206 HG23 THR 31 2HG2 THR 31 -2.794 14.857 -0.014 207 H SER 32 H SER 32 -3.008 12.108 -2.758 208 HA SER 32 HA SER 32 -3.086 9.224 -2.380 209 HB2 SER 32 1HB SER 32 -1.599 9.093 -4.269 210 HB3 SER 32 2HB SER 32 -2.857 10.266 -4.659 211 HG SER 32 HG SER 32 -1.109 11.761 -3.634 212 H VAL 33 H VAL 33 -2.111 8.545 -0.573 213 HA VAL 33 HA VAL 33 0.089 9.869 0.648 214 HB VAL 33 HB VAL 33 -0.754 7.014 1.131 215 HG11 VAL 33 1HG1 VAL 33 0.073 8.621 3.402 216 HG12 VAL 33 2HG1 VAL 33 0.642 7.037 2.870 217 HG13 VAL 33 3HG1 VAL 33 1.329 8.504 2.170 218 HG21 VAL 33 3HG2 VAL 33 -2.093 9.561 1.813 219 HG22 VAL 33 1HG2 VAL 33 -2.773 7.956 1.547 220 HG23 VAL 33 2HG2 VAL 33 -2.006 8.345 3.087 221 H ILE 34 H ILE 34 -0.019 6.537 -0.621 222 HA ILE 34 HA ILE 34 2.576 6.965 -1.900 223 HB ILE 34 HB ILE 34 3.105 6.060 0.315 224 HG12 ILE 34 1HG1 ILE 34 3.512 3.798 -1.617 225 HG13 ILE 34 2HG1 ILE 34 4.273 5.358 -1.908 226 HG21 ILE 34 1HG2 ILE 34 0.779 4.587 -0.022 227 HG22 ILE 34 2HG2 ILE 34 2.071 3.390 -0.094 228 HG23 ILE 34 3HG2 ILE 34 1.930 4.451 1.307 229 HD11 ILE 34 3HD1 ILE 34 5.813 3.887 -0.794 230 HD12 ILE 34 1HD1 ILE 34 5.363 5.202 0.292 231 HD13 ILE 34 2HD1 ILE 34 4.653 3.601 0.503 232 H GLN 35 H GLN 35 2.972 5.652 -3.666 233 HA GLN 35 HA GLN 35 0.769 3.862 -4.456 234 HB2 GLN 35 1HB GLN 35 0.588 5.773 -5.854 235 HB3 GLN 35 2HB GLN 35 2.326 5.838 -6.115 236 HG2 GLN 35 1HG GLN 35 1.529 4.983 -8.105 237 HG3 GLN 35 2HG GLN 35 2.030 3.539 -7.226 238 HE21 GLN 35 1HE2 GLN 35 0.458 2.157 -6.383 239 HE22 GLN 35 2HE2 GLN 35 -1.179 2.195 -6.933 240 H LEU 36 H LEU 36 1.351 1.827 -4.800 241 HA LEU 36 HA LEU 36 4.203 1.211 -5.080 242 HB2 LEU 36 1HB LEU 36 1.872 -0.580 -4.410 243 HB3 LEU 36 2HB LEU 36 3.559 -1.082 -4.481 244 HG LEU 36 HG LEU 36 2.532 0.995 -2.556 245 HD11 LEU 36 1HD1 LEU 36 2.998 -1.111 -0.986 246 HD12 LEU 36 2HD1 LEU 36 2.466 -1.959 -2.438 247 HD13 LEU 36 3HD1 LEU 36 1.412 -0.766 -1.679 248 HD21 LEU 36 3HD2 LEU 36 4.892 -0.618 -1.922 249 HD22 LEU 36 1HD2 LEU 36 4.626 1.119 -1.768 250 HD23 LEU 36 2HD2 LEU 36 5.086 0.432 -3.326 251 H HIS 37 H HIS 37 4.932 0.904 -7.069 252 HA HIS 37 HA HIS 37 3.091 -0.102 -9.125 253 HB2 HIS 37 1HB HIS 37 4.480 2.106 -9.341 254 HB3 HIS 37 2HB HIS 37 5.806 1.016 -9.735 255 HD1 HIS 37 1HD HIS 37 5.995 0.388 -12.124 256 HD2 HIS 37 2HD HIS 37 2.174 1.704 -11.162 257 HE1 HIS 37 1HE HIS 37 4.739 0.451 -14.301 258 HE2 HIS 37 2HE HIS 37 2.455 1.332 -13.707 259 H ALA 38 H ALA 38 3.170 -2.265 -9.179 260 HA ALA 38 HA ALA 38 5.804 -3.516 -9.542 261 HB1 ALA 38 3HB ALA 38 3.653 -4.358 -7.626 262 HB2 ALA 38 1HB ALA 38 4.864 -5.493 -8.224 263 HB3 ALA 38 2HB ALA 38 5.363 -4.069 -7.310 264 H THR 39 H THR 39 5.435 -3.674 -11.759 265 HA THR 39 HA THR 39 3.130 -5.274 -12.621 266 HB THR 39 HB THR 39 3.834 -4.570 -14.938 267 HG1 THR 39 1HG THR 39 6.035 -3.926 -13.942 268 HG21 THR 39 3HG2 THR 39 2.604 -2.634 -14.826 269 HG22 THR 39 1HG2 THR 39 3.394 -2.088 -13.347 270 HG23 THR 39 2HG2 THR 39 2.176 -3.363 -13.279 271 H ASP 40 H ASP 40 3.348 -7.209 -13.654 272 HA ASP 40 HA ASP 40 5.637 -8.762 -13.155 273 HB2 ASP 40 1HB ASP 40 3.683 -9.459 -15.325 274 HB3 ASP 40 2HB ASP 40 4.506 -10.524 -14.189 275 H ALA 41 H ALA 41 6.588 -10.100 -15.118 276 HA ALA 41 HA ALA 41 8.499 -8.743 -16.389 277 HB1 ALA 41 3HB ALA 41 8.046 -10.442 -18.374 278 HB2 ALA 41 1HB ALA 41 8.682 -10.970 -16.816 279 HB3 ALA 41 2HB ALA 41 6.966 -11.158 -17.177 280 H ASP 42 H ASP 42 8.525 -6.965 -17.581 281 HA ASP 42 HA ASP 42 6.548 -5.499 -18.611 282 HB2 ASP 42 1HB ASP 42 9.129 -6.004 -20.106 283 HB3 ASP 42 2HB ASP 42 8.092 -4.588 -20.261 284 H ILE 43 H ILE 43 8.191 -8.006 -20.545 285 HA ILE 43 HA ILE 43 6.353 -7.843 -22.703 286 HB ILE 43 HB ILE 43 8.630 -8.713 -22.996 287 HG12 ILE 43 1HG1 ILE 43 6.829 -11.019 -23.634 288 HG13 ILE 43 2HG1 ILE 43 6.511 -9.451 -24.368 289 HG21 ILE 43 1HG2 ILE 43 9.397 -10.722 -22.089 290 HG22 ILE 43 2HG2 ILE 43 8.545 -9.952 -20.753 291 HG23 ILE 43 3HG2 ILE 43 7.773 -11.254 -21.656 292 HD11 ILE 43 3HD1 ILE 43 8.416 -9.505 -25.632 293 HD12 ILE 43 1HD1 ILE 43 9.256 -10.585 -24.520 294 HD13 ILE 43 2HD1 ILE 43 7.995 -11.217 -25.580 295 H GLY 44 H GLY 44 4.270 -8.355 -22.499 296 HA2 GLY 44 1HA GLY 44 2.476 -9.831 -22.325 297 HA3 GLY 44 2HA GLY 44 3.554 -11.016 -21.601 298 H SER 45 H SER 45 1.025 -8.927 -21.027 299 HA SER 45 HA SER 45 1.455 -9.128 -18.123 300 HB2 SER 45 1HB SER 45 0.351 -6.753 -19.640 301 HB3 SER 45 2HB SER 45 0.300 -6.922 -17.885 302 HG SER 45 HG SER 45 2.568 -6.963 -17.882 303 H ASN 46 H ASN 46 0.111 -11.098 -19.286 304 HA ASN 46 HA ASN 46 -2.737 -10.482 -19.269 305 HB2 ASN 46 1HB ASN 46 -1.217 -13.018 -19.906 306 HB3 ASN 46 2HB ASN 46 -2.974 -12.894 -19.932 307 HD21 ASN 46 1HD2 ASN 46 -2.020 -13.694 -22.186 308 HD22 ASN 46 2HD2 ASN 46 -1.947 -12.445 -23.377 309 H ALA 47 H ALA 47 -2.125 -9.941 -16.848 310 HA ALA 47 HA ALA 47 -3.207 -12.140 -15.286 311 HB1 ALA 47 3HB ALA 47 -1.434 -12.568 -13.967 312 HB2 ALA 47 1HB ALA 47 -0.514 -11.949 -15.338 313 HB3 ALA 47 2HB ALA 47 -0.886 -10.892 -13.976 314 H GLU 48 H GLU 48 -3.560 -11.389 -12.948 315 HA GLU 48 HA GLU 48 -4.211 -8.519 -12.895 316 HB2 GLU 48 1HB GLU 48 -6.286 -9.071 -11.667 317 HB3 GLU 48 2HB GLU 48 -6.272 -9.724 -13.300 318 HG2 GLU 48 1HG GLU 48 -5.326 -11.853 -12.072 319 HG3 GLU 48 2HG GLU 48 -6.147 -11.131 -10.690 320 H ILE 49 H ILE 49 -2.833 -7.697 -11.451 321 HA ILE 49 HA ILE 49 -2.030 -9.220 -9.117 322 HB ILE 49 HB ILE 49 -1.248 -6.455 -10.043 323 HG12 ILE 49 1HG1 ILE 49 0.410 -8.978 -9.971 324 HG13 ILE 49 2HG1 ILE 49 -0.491 -8.464 -11.393 325 HG21 ILE 49 1HG2 ILE 49 -1.086 -7.496 -7.466 326 HG22 ILE 49 2HG2 ILE 49 0.535 -7.677 -8.134 327 HG23 ILE 49 3HG2 ILE 49 -0.232 -6.090 -8.100 328 HD11 ILE 49 3HD1 ILE 49 0.941 -6.219 -10.711 329 HD12 ILE 49 1HD1 ILE 49 2.057 -7.540 -10.368 330 HD13 ILE 49 2HD1 ILE 49 1.353 -7.376 -11.976 331 H ARG 50 H ARG 50 -3.194 -9.207 -7.321 332 HA ARG 50 HA ARG 50 -4.882 -6.871 -6.738 333 HB2 ARG 50 1HB ARG 50 -5.127 -9.785 -6.175 334 HB3 ARG 50 2HB ARG 50 -5.809 -8.666 -5.003 335 HG2 ARG 50 1HG ARG 50 -7.430 -9.469 -6.695 336 HG3 ARG 50 2HG ARG 50 -7.253 -7.714 -6.654 337 HD2 ARG 50 1HD ARG 50 -5.509 -8.081 -8.524 338 HD3 ARG 50 2HD ARG 50 -6.259 -9.668 -8.696 339 HE ARG 50 HE ARG 50 -7.295 -7.196 -9.620 340 HH11 ARG 50 1HH1 ARG 50 -8.255 -10.243 -8.236 341 HH12 ARG 50 2HH1 ARG 50 -9.836 -10.215 -8.943 342 HH21 ARG 50 1HH2 ARG 50 -9.375 -7.147 -10.557 343 HH22 ARG 50 2HH2 ARG 50 -10.472 -8.454 -10.263 344 H TYR 51 H TYR 51 -4.596 -5.697 -4.926 345 HA TYR 51 HA TYR 51 -2.376 -6.486 -3.166 346 HB2 TYR 51 1HB TYR 51 -3.568 -3.730 -3.515 347 HB3 TYR 51 2HB TYR 51 -2.093 -4.145 -2.648 348 HD1 TYR 51 2HD TYR 51 -0.073 -4.826 -3.898 349 HD2 TYR 51 1HD TYR 51 -3.583 -3.490 -5.897 350 HE1 TYR 51 2HE TYR 51 1.237 -4.474 -5.950 351 HE2 TYR 51 1HE TYR 51 -2.284 -3.136 -7.955 352 HH TYR 51 HH TYR 51 1.199 -3.837 -8.072 353 H ILE 52 H ILE 52 -3.099 -7.475 -1.397 354 HA ILE 52 HA ILE 52 -5.582 -6.522 -0.146 355 HB ILE 52 HB ILE 52 -5.402 -8.677 1.184 356 HG12 ILE 52 1HG1 ILE 52 -3.432 -9.391 -0.997 357 HG13 ILE 52 2HG1 ILE 52 -2.986 -9.047 0.671 358 HG21 ILE 52 1HG2 ILE 52 -5.687 -9.726 -1.479 359 HG22 ILE 52 2HG2 ILE 52 -6.919 -9.428 -0.253 360 HG23 ILE 52 3HG2 ILE 52 -6.439 -8.136 -1.353 361 HD11 ILE 52 3HD1 ILE 52 -3.055 -11.327 0.693 362 HD12 ILE 52 1HD1 ILE 52 -4.701 -10.947 1.198 363 HD13 ILE 52 2HD1 ILE 52 -4.376 -11.410 -0.472 364 H PHE 53 H PHE 53 -5.537 -6.914 2.344 365 HA PHE 53 HA PHE 53 -3.405 -5.263 3.374 366 HB2 PHE 53 1HB PHE 53 -5.930 -6.403 4.547 367 HB3 PHE 53 2HB PHE 53 -4.724 -5.623 5.565 368 HD1 PHE 53 1HD PHE 53 -7.229 -5.130 2.950 369 HD2 PHE 53 2HD PHE 53 -4.350 -3.244 5.454 370 HE1 PHE 53 1HE PHE 53 -8.201 -2.935 2.408 371 HE2 PHE 53 2HE PHE 53 -5.318 -1.046 4.917 372 HZ PHE 53 HZ PHE 53 -7.246 -0.890 3.393 373 H GLY 54 H GLY 54 -1.740 -5.871 4.657 374 HA2 GLY 54 1HA GLY 54 -0.844 -8.526 4.635 375 HA3 GLY 54 2HA GLY 54 -0.212 -7.252 5.667 376 H ALA 55 H ALA 55 0.069 -8.965 7.248 377 HA ALA 55 HA ALA 55 -2.398 -9.966 8.462 378 HB1 ALA 55 3HB ALA 55 -0.967 -11.462 9.733 379 HB2 ALA 55 1HB ALA 55 -0.603 -11.575 8.011 380 HB3 ALA 55 2HB ALA 55 0.468 -10.670 9.081 381 H GLN 56 H GLN 56 -2.866 -9.682 10.672 382 HA GLN 56 HA GLN 56 -3.082 -8.494 12.598 383 HB2 GLN 56 1HB GLN 56 -0.142 -8.415 12.091 384 HB3 GLN 56 2HB GLN 56 -0.800 -7.392 13.361 385 HG2 GLN 56 1HG GLN 56 -1.168 -10.373 13.177 386 HG3 GLN 56 2HG GLN 56 0.017 -9.553 14.193 387 HE21 GLN 56 1HE2 GLN 56 -3.153 -10.689 13.944 388 HE22 GLN 56 2HE2 GLN 56 -3.769 -10.028 15.416 389 H VAL 57 H VAL 57 -3.977 -7.176 10.400 390 HA VAL 57 HA VAL 57 -3.007 -4.415 10.710 391 HB VAL 57 HB VAL 57 -4.594 -5.672 8.469 392 HG11 VAL 57 1HG1 VAL 57 -3.973 -3.332 7.434 393 HG12 VAL 57 2HG1 VAL 57 -5.426 -3.539 8.415 394 HG13 VAL 57 3HG1 VAL 57 -3.972 -2.836 9.126 395 HG21 VAL 57 3HG2 VAL 57 -2.519 -4.936 7.172 396 HG22 VAL 57 1HG2 VAL 57 -1.745 -4.765 8.747 397 HG23 VAL 57 2HG2 VAL 57 -2.356 -6.337 8.230 398 H ALA 58 H ALA 58 -4.197 -3.133 11.943 399 HA ALA 58 HA ALA 58 -6.675 -3.797 13.042 400 HB1 ALA 58 3HB ALA 58 -6.627 -1.743 14.085 401 HB2 ALA 58 1HB ALA 58 -4.919 -1.993 13.722 402 HB3 ALA 58 2HB ALA 58 -5.893 -0.936 12.699 403 HA PRO 59 HA PRO 59 -9.625 -2.894 9.911 404 HB2 PRO 59 1HB PRO 59 -11.760 -2.226 11.451 405 HB3 PRO 59 2HB PRO 59 -11.178 -3.887 11.283 406 HG2 PRO 59 1HG PRO 59 -10.684 -1.920 13.485 407 HG3 PRO 59 2HG PRO 59 -11.064 -3.648 13.594 408 HD2 PRO 59 1HD PRO 59 -8.545 -2.692 13.860 409 HD3 PRO 59 2HD PRO 59 -8.893 -4.283 13.153 410 H ALA 60 H ALA 60 -9.373 -0.520 12.544 411 HA ALA 60 HA ALA 60 -10.680 1.624 11.413 412 HB1 ALA 60 3HB ALA 60 -9.134 1.219 13.660 413 HB2 ALA 60 1HB ALA 60 -8.243 2.449 12.763 414 HB3 ALA 60 2HB ALA 60 -9.930 2.725 13.201 415 H THR 61 H THR 61 -7.319 0.611 10.928 416 HA THR 61 HA THR 61 -6.503 2.773 9.339 417 HB THR 61 HB THR 61 -5.503 -0.078 9.207 418 HG1 THR 61 1HG THR 61 -4.930 0.427 11.196 419 HG21 THR 61 3HG2 THR 61 -4.763 2.351 7.809 420 HG22 THR 61 1HG2 THR 61 -4.238 0.691 7.532 421 HG23 THR 61 2HG2 THR 61 -3.412 1.689 8.729 422 H LYS 62 H LYS 62 -8.159 -0.222 8.538 423 HA LYS 62 HA LYS 62 -7.899 -0.053 5.732 424 HB2 LYS 62 1HB LYS 62 -10.097 -1.360 7.346 425 HB3 LYS 62 2HB LYS 62 -9.735 -1.671 5.653 426 HG2 LYS 62 1HG LYS 62 -7.497 -2.493 6.335 427 HG3 LYS 62 2HG LYS 62 -7.984 -2.296 8.020 428 HD2 LYS 62 1HD LYS 62 -9.734 -3.919 7.767 429 HD3 LYS 62 2HD LYS 62 -9.460 -4.010 6.025 430 HE2 LYS 62 1HE LYS 62 -7.130 -4.810 6.551 431 HE3 LYS 62 2HE LYS 62 -7.637 -4.941 8.234 432 HZ1 LYS 62 3HZ LYS 62 -9.538 -6.231 6.634 433 HZ2 LYS 62 1HZ LYS 62 -8.500 -6.912 7.783 434 HZ3 LYS 62 2HZ LYS 62 -8.010 -6.787 6.169 435 H ARG 63 H ARG 63 -10.240 1.269 8.001 436 HA ARG 63 HA ARG 63 -11.982 2.253 5.930 437 HB2 ARG 63 1HB ARG 63 -12.865 1.606 8.132 438 HB3 ARG 63 2HB ARG 63 -11.910 2.875 8.888 439 HG2 ARG 63 1HG ARG 63 -13.211 4.578 7.925 440 HG3 ARG 63 2HG ARG 63 -13.961 3.464 6.780 441 HD2 ARG 63 1HD ARG 63 -15.010 2.290 8.709 442 HD3 ARG 63 2HD ARG 63 -14.361 3.543 9.767 443 HE ARG 63 HE ARG 63 -15.792 4.837 7.779 444 HH11 ARG 63 1HH1 ARG 63 -16.416 2.565 10.342 445 HH12 ARG 63 2HH1 ARG 63 -18.047 3.095 10.591 446 HH21 ARG 63 1HH2 ARG 63 -17.937 5.543 8.097 447 HH22 ARG 63 2HH2 ARG 63 -18.911 4.789 9.313 448 H LEU 64 H LEU 64 -9.726 3.719 8.257 449 HA LEU 64 HA LEU 64 -10.045 6.377 7.495 450 HB2 LEU 64 1HB LEU 64 -7.685 4.892 8.618 451 HB3 LEU 64 2HB LEU 64 -7.664 6.632 8.342 452 HG LEU 64 HG LEU 64 -9.533 5.167 10.205 453 HD11 LEU 64 1HD1 LEU 64 -7.166 5.236 10.941 454 HD12 LEU 64 2HD1 LEU 64 -8.257 6.139 11.991 455 HD13 LEU 64 3HD1 LEU 64 -7.226 6.996 10.846 456 HD21 LEU 64 3HD2 LEU 64 -9.248 8.053 9.433 457 HD22 LEU 64 1HD2 LEU 64 -9.938 7.571 10.983 458 HD23 LEU 64 2HD2 LEU 64 -10.703 7.057 9.479 459 H PHE 65 H PHE 65 -7.923 3.873 6.183 460 HA PHE 65 HA PHE 65 -7.280 5.693 3.956 461 HB2 PHE 65 1HB PHE 65 -5.619 3.513 5.222 462 HB3 PHE 65 2HB PHE 65 -5.223 4.236 3.667 463 HD1 PHE 65 1HD PHE 65 -4.442 6.527 3.520 464 HD2 PHE 65 2HD PHE 65 -5.341 4.738 7.276 465 HE1 PHE 65 1HE PHE 65 -3.241 8.342 4.668 466 HE2 PHE 65 2HE PHE 65 -4.142 6.550 8.430 467 HZ PHE 65 HZ PHE 65 -3.091 8.356 7.127 468 H ALA 66 H ALA 66 -7.814 5.067 1.955 469 HA ALA 66 HA ALA 66 -9.114 2.468 1.640 470 HB1 ALA 66 3HB ALA 66 -9.537 3.653 -0.724 471 HB2 ALA 66 1HB ALA 66 -10.560 3.923 0.688 472 HB3 ALA 66 2HB ALA 66 -9.296 5.083 0.279 473 H LEU 67 H LEU 67 -7.918 0.828 0.950 474 HA LEU 67 HA LEU 67 -5.605 1.371 -0.775 475 HB2 LEU 67 1HB LEU 67 -4.846 0.161 1.044 476 HB3 LEU 67 2HB LEU 67 -6.308 -0.819 1.129 477 HG LEU 67 HG LEU 67 -5.495 -1.865 -1.073 478 HD11 LEU 67 1HD1 LEU 67 -3.255 -0.103 -0.382 479 HD12 LEU 67 2HD1 LEU 67 -3.718 -0.802 -1.934 480 HD13 LEU 67 3HD1 LEU 67 -2.800 -1.762 -0.774 481 HD21 LEU 67 3HD2 LEU 67 -3.530 -2.801 0.791 482 HD22 LEU 67 1HD2 LEU 67 -5.027 -3.572 0.265 483 HD23 LEU 67 2HD2 LEU 67 -5.042 -2.463 1.636 484 H ASN 68 H ASN 68 -5.928 1.113 -2.876 485 HA ASN 68 HA ASN 68 -8.160 -0.299 -3.941 486 HB2 ASN 68 1HB ASN 68 -5.763 1.064 -5.130 487 HB3 ASN 68 2HB ASN 68 -6.818 0.084 -6.145 488 HD21 ASN 68 1HD2 ASN 68 -7.022 2.249 -7.184 489 HD22 ASN 68 2HD2 ASN 68 -8.277 3.289 -6.611 490 H ASN 69 H ASN 69 -8.340 -2.417 -4.192 491 HA ASN 69 HA ASN 69 -6.008 -4.124 -4.017 492 HB2 ASN 69 1HB ASN 69 -8.842 -5.023 -4.521 493 HB3 ASN 69 2HB ASN 69 -7.525 -5.934 -3.788 494 HD21 ASN 69 1HD2 ASN 69 -8.332 -6.375 -1.833 495 HD22 ASN 69 2HD2 ASN 69 -8.837 -5.188 -0.683 496 H THR 70 H THR 70 -6.713 -2.349 -6.413 497 HA THR 70 HA THR 70 -6.440 -4.461 -8.451 498 HB THR 70 HB THR 70 -7.439 -2.550 -9.983 499 HG1 THR 70 1HG THR 70 -8.553 -2.000 -7.415 500 HG21 THR 70 3HG2 THR 70 -9.437 -3.717 -10.007 501 HG22 THR 70 1HG2 THR 70 -9.434 -3.966 -8.262 502 HG23 THR 70 2HG2 THR 70 -8.344 -4.899 -9.288 503 H THR 71 H THR 71 -5.365 -1.413 -7.199 504 HA THR 71 HA THR 71 -3.213 -1.382 -9.212 505 HB THR 71 HB THR 71 -3.194 0.993 -9.271 506 HG1 THR 71 1HG THR 71 -4.586 2.219 -7.899 507 HG21 THR 71 3HG2 THR 71 -6.081 0.977 -9.300 508 HG22 THR 71 1HG2 THR 71 -5.437 -0.479 -10.057 509 HG23 THR 71 2HG2 THR 71 -4.948 1.111 -10.645 510 H GLY 72 H GLY 72 -4.148 -1.160 -5.891 511 HA2 GLY 72 1HA GLY 72 -2.824 -1.470 -4.013 512 HA3 GLY 72 2HA GLY 72 -1.409 -1.495 -5.055 513 H LEU 73 H LEU 73 -3.653 1.142 -5.260 514 HA LEU 73 HA LEU 73 -1.575 2.945 -4.291 515 HB2 LEU 73 1HB LEU 73 -2.366 3.799 -6.259 516 HB3 LEU 73 2HB LEU 73 -4.005 3.214 -5.979 517 HG LEU 73 HG LEU 73 -4.282 5.030 -4.285 518 HD11 LEU 73 1HD1 LEU 73 -2.111 5.588 -3.629 519 HD12 LEU 73 2HD1 LEU 73 -2.634 6.958 -4.609 520 HD13 LEU 73 3HD1 LEU 73 -1.549 5.747 -5.293 521 HD21 LEU 73 3HD2 LEU 73 -4.810 5.097 -6.855 522 HD22 LEU 73 1HD2 LEU 73 -3.538 6.318 -6.866 523 HD23 LEU 73 2HD2 LEU 73 -4.970 6.546 -5.861 524 H ILE 74 H ILE 74 -1.715 4.134 -2.468 525 HA ILE 74 HA ILE 74 -4.082 3.698 -0.777 526 HB ILE 74 HB ILE 74 -1.257 4.442 -0.014 527 HG12 ILE 74 1HG1 ILE 74 -2.842 1.994 0.764 528 HG13 ILE 74 2HG1 ILE 74 -1.811 2.039 -0.662 529 HG21 ILE 74 1HG2 ILE 74 -2.294 3.980 2.343 530 HG22 ILE 74 2HG2 ILE 74 -2.455 5.567 1.592 531 HG23 ILE 74 3HG2 ILE 74 -3.800 4.428 1.543 532 HD11 ILE 74 3HD1 ILE 74 0.132 2.399 0.681 533 HD12 ILE 74 1HD1 ILE 74 -0.849 2.582 2.134 534 HD13 ILE 74 2HD1 ILE 74 -0.751 1.016 1.327 535 H THR 75 H THR 75 -5.413 5.344 -0.455 536 HA THR 75 HA THR 75 -4.353 8.081 -0.518 537 HB THR 75 HB THR 75 -6.363 8.842 -1.759 538 HG1 THR 75 1HG THR 75 -7.659 6.958 -1.272 539 HG21 THR 75 3HG2 THR 75 -4.989 8.765 -3.510 540 HG22 THR 75 1HG2 THR 75 -5.508 7.109 -3.823 541 HG23 THR 75 2HG2 THR 75 -4.110 7.415 -2.792 542 H VAL 76 H VAL 76 -5.521 9.599 0.712 543 HA VAL 76 HA VAL 76 -6.571 8.696 3.124 544 HB VAL 76 HB VAL 76 -6.947 11.362 1.757 545 HG11 VAL 76 1HG1 VAL 76 -7.476 10.661 4.642 546 HG12 VAL 76 2HG1 VAL 76 -7.661 12.246 3.888 547 HG13 VAL 76 3HG1 VAL 76 -8.722 10.916 3.421 548 HG21 VAL 76 3HG2 VAL 76 -4.671 10.235 2.784 549 HG22 VAL 76 1HG2 VAL 76 -4.959 11.965 2.592 550 HG23 VAL 76 2HG2 VAL 76 -5.270 11.185 4.143 551 H GLN 77 H GLN 77 -8.459 7.829 3.652 552 HA GLN 77 HA GLN 77 -10.694 8.061 1.768 553 HB2 GLN 77 1HB GLN 77 -9.772 5.802 2.589 554 HB3 GLN 77 2HB GLN 77 -10.570 6.178 4.110 555 HG2 GLN 77 1HG GLN 77 -12.698 6.451 2.801 556 HG3 GLN 77 2HG GLN 77 -11.836 5.785 1.415 557 HE21 GLN 77 1HE2 GLN 77 -14.124 4.837 3.141 558 HE22 GLN 77 2HE2 GLN 77 -13.682 3.227 3.584 559 H ARG 78 H ARG 78 -9.807 8.579 5.132 560 HA ARG 78 HA ARG 78 -12.033 10.413 5.431 561 HB2 ARG 78 1HB ARG 78 -11.804 7.834 6.941 562 HB3 ARG 78 2HB ARG 78 -12.518 9.240 7.719 563 HG2 ARG 78 1HG ARG 78 -14.186 9.382 5.943 564 HG3 ARG 78 2HG ARG 78 -13.465 7.977 5.155 565 HD2 ARG 78 1HD ARG 78 -15.168 6.980 6.323 566 HD3 ARG 78 2HD ARG 78 -13.856 6.859 7.494 567 HE ARG 78 HE ARG 78 -15.027 8.248 8.875 568 HH11 ARG 78 1HH1 ARG 78 -16.261 8.588 5.637 569 HH12 ARG 78 2HH1 ARG 78 -17.571 9.620 6.105 570 HH21 ARG 78 1HH2 ARG 78 -16.748 9.606 9.503 571 HH22 ARG 78 2HH2 ARG 78 -17.847 10.200 8.304 572 H SER 79 H SER 79 -11.894 11.655 7.461 573 HA SER 79 HA SER 79 -9.390 12.750 7.873 574 HB2 SER 79 1HB SER 79 -11.894 12.749 9.540 575 HB3 SER 79 2HB SER 79 -10.436 13.565 10.102 576 HG SER 79 HG SER 79 -10.647 14.417 7.712 577 H LEU 80 H LEU 80 -7.744 12.452 9.317 578 HA LEU 80 HA LEU 80 -7.792 9.916 10.796 579 HB2 LEU 80 1HB LEU 80 -5.348 11.561 10.235 580 HB3 LEU 80 2HB LEU 80 -5.454 9.846 10.626 581 HG LEU 80 HG LEU 80 -6.562 10.932 8.056 582 HD11 LEU 80 1HD1 LEU 80 -4.207 11.632 8.234 583 HD12 LEU 80 2HD1 LEU 80 -4.465 10.431 6.968 584 HD13 LEU 80 3HD1 LEU 80 -3.747 9.950 8.505 585 HD21 LEU 80 3HD2 LEU 80 -5.948 8.274 9.225 586 HD22 LEU 80 1HD2 LEU 80 -5.711 8.486 7.490 587 HD23 LEU 80 2HD2 LEU 80 -7.295 8.781 8.206 588 H ASP 81 H ASP 81 -6.410 9.927 12.828 589 HA ASP 81 HA ASP 81 -6.674 12.465 14.288 590 HB2 ASP 81 1HB ASP 81 -7.357 9.780 15.491 591 HB3 ASP 81 2HB ASP 81 -7.596 11.371 16.210 592 H ARG 82 H ARG 82 -4.824 13.059 15.192 593 HA ARG 82 HA ARG 82 -2.569 11.279 15.224 594 HB2 ARG 82 1HB ARG 82 -2.613 13.840 14.785 595 HB3 ARG 82 2HB ARG 82 -2.611 13.978 16.539 596 HG2 ARG 82 1HG ARG 82 -0.551 12.332 15.123 597 HG3 ARG 82 2HG ARG 82 -0.372 14.080 15.289 598 HD2 ARG 82 1HD ARG 82 -0.779 12.150 17.571 599 HD3 ARG 82 2HD ARG 82 0.775 12.820 17.077 600 HE ARG 82 HE ARG 82 -1.306 14.157 18.560 601 HH11 ARG 82 1HH1 ARG 82 1.527 14.534 16.572 602 HH12 ARG 82 2HH1 ARG 82 1.895 16.118 17.169 603 HH21 ARG 82 1HH2 ARG 82 -0.833 16.242 19.353 604 HH22 ARG 82 2HH2 ARG 82 0.552 17.089 18.752 605 H GLU 83 H GLU 83 -4.519 12.930 17.693 606 HA GLU 83 HA GLU 83 -3.234 12.245 19.990 607 HB2 GLU 83 1HB GLU 83 -6.149 12.465 19.333 608 HB3 GLU 83 2HB GLU 83 -5.654 11.955 20.941 609 HG2 GLU 83 1HG GLU 83 -4.211 14.059 20.972 610 HG3 GLU 83 2HG GLU 83 -5.154 14.572 19.574 611 H GLU 84 H GLU 84 -5.490 10.188 18.178 612 HA GLU 84 HA GLU 84 -5.295 7.981 19.958 613 HB2 GLU 84 1HB GLU 84 -7.155 8.444 18.287 614 HB3 GLU 84 2HB GLU 84 -6.063 7.845 17.046 615 HG2 GLU 84 1HG GLU 84 -6.592 6.155 19.437 616 HG3 GLU 84 2HG GLU 84 -7.818 6.270 18.175 617 H THR 85 H THR 85 -4.201 8.143 16.569 618 HA THR 85 HA THR 85 -1.865 6.522 17.349 619 HB THR 85 HB THR 85 -3.409 5.193 16.000 620 HG1 THR 85 1HG THR 85 -0.898 5.951 15.011 621 HG21 THR 85 3HG2 THR 85 -4.340 5.849 14.028 622 HG22 THR 85 1HG2 THR 85 -2.957 6.846 13.580 623 HG23 THR 85 2HG2 THR 85 -4.130 7.443 14.753 624 H ALA 86 H ALA 86 0.117 7.113 16.585 625 HA ALA 86 HA ALA 86 0.241 9.696 15.192 626 HB1 ALA 86 3HB ALA 86 1.367 9.730 17.303 627 HB2 ALA 86 1HB ALA 86 2.269 8.268 16.903 628 HB3 ALA 86 2HB ALA 86 2.588 9.768 16.031 629 H ILE 87 H ILE 87 1.580 6.419 15.148 630 HA ILE 87 HA ILE 87 2.562 6.935 12.417 631 HB ILE 87 HB ILE 87 3.575 4.932 14.438 632 HG12 ILE 87 1HG1 ILE 87 5.073 7.227 13.178 633 HG13 ILE 87 2HG1 ILE 87 4.184 7.403 14.687 634 HG21 ILE 87 1HG2 ILE 87 3.636 4.797 11.633 635 HG22 ILE 87 2HG2 ILE 87 5.260 5.256 12.145 636 HG23 ILE 87 3HG2 ILE 87 4.516 3.790 12.784 637 HD11 ILE 87 3HD1 ILE 87 5.757 6.351 15.873 638 HD12 ILE 87 1HD1 ILE 87 6.026 5.132 14.628 639 HD13 ILE 87 2HD1 ILE 87 6.794 6.714 14.494 640 H HIS 88 H HIS 88 1.855 5.681 10.785 641 HA HIS 88 HA HIS 88 0.020 3.481 11.477 642 HB2 HIS 88 1HB HIS 88 -0.050 5.571 9.347 643 HB3 HIS 88 2HB HIS 88 -0.739 3.991 8.985 644 HD1 HIS 88 1HD HIS 88 -2.575 3.183 10.901 645 HD2 HIS 88 2HD HIS 88 -1.806 7.249 10.531 646 HE1 HIS 88 1HE HIS 88 -4.530 4.339 11.981 647 HE2 HIS 88 2HE HIS 88 -4.084 6.798 11.670 648 H LYS 89 H LYS 89 0.768 1.523 11.050 649 HA LYS 89 HA LYS 89 2.804 1.213 8.947 650 HB2 LYS 89 1HB LYS 89 2.272 -0.299 11.490 651 HB3 LYS 89 2HB LYS 89 3.208 -1.019 10.187 652 HG2 LYS 89 1HG LYS 89 4.599 1.173 10.336 653 HG3 LYS 89 2HG LYS 89 3.877 1.297 11.942 654 HD2 LYS 89 1HD LYS 89 4.878 -0.688 12.671 655 HD3 LYS 89 2HD LYS 89 5.215 -1.228 11.025 656 HE2 LYS 89 1HE LYS 89 6.731 0.846 10.883 657 HE3 LYS 89 2HE LYS 89 6.608 0.881 12.642 658 HZ1 LYS 89 3HZ LYS 89 8.087 -0.744 12.795 659 HZ2 LYS 89 1HZ LYS 89 8.349 -0.626 11.128 660 HZ3 LYS 89 2HZ LYS 89 7.222 -1.733 11.730 661 H VAL 90 H VAL 90 1.777 0.678 7.112 662 HA VAL 90 HA VAL 90 -0.193 -1.514 7.233 663 HB VAL 90 HB VAL 90 -0.035 0.746 5.234 664 HG11 VAL 90 1HG1 VAL 90 -1.165 -1.869 5.008 665 HG12 VAL 90 2HG1 VAL 90 -2.460 -0.671 5.011 666 HG13 VAL 90 3HG1 VAL 90 -1.155 -0.558 3.830 667 HG21 VAL 90 3HG2 VAL 90 -1.948 0.124 7.473 668 HG22 VAL 90 1HG2 VAL 90 -0.968 1.573 7.248 669 HG23 VAL 90 2HG2 VAL 90 -2.327 1.250 6.171 670 H THR 91 H THR 91 0.127 -3.270 5.982 671 HA THR 91 HA THR 91 2.511 -3.265 4.252 672 HB THR 91 HB THR 91 1.238 -5.695 5.514 673 HG1 THR 91 1HG THR 91 2.036 -4.486 7.205 674 HG21 THR 91 3HG2 THR 91 2.654 -6.029 3.492 675 HG22 THR 91 1HG2 THR 91 3.299 -6.804 4.939 676 HG23 THR 91 2HG2 THR 91 3.999 -5.292 4.362 677 H VAL 92 H VAL 92 2.368 -3.981 2.178 678 HA VAL 92 HA VAL 92 -0.323 -4.713 1.222 679 HB VAL 92 HB VAL 92 1.888 -3.283 -0.259 680 HG11 VAL 92 1HG1 VAL 92 -0.297 -4.855 -1.236 681 HG12 VAL 92 2HG1 VAL 92 -0.531 -3.165 -1.687 682 HG13 VAL 92 3HG1 VAL 92 0.954 -4.003 -2.140 683 HG21 VAL 92 3HG2 VAL 92 -0.516 -2.407 1.198 684 HG22 VAL 92 1HG2 VAL 92 0.982 -1.543 0.852 685 HG23 VAL 92 2HG2 VAL 92 -0.272 -1.664 -0.383 686 H LEU 93 H LEU 93 -0.571 -6.472 -0.085 687 HA LEU 93 HA LEU 93 1.852 -8.033 -0.695 688 HB2 LEU 93 1HB LEU 93 -0.827 -9.014 0.269 689 HB3 LEU 93 2HB LEU 93 0.427 -10.067 -0.382 690 HG LEU 93 HG LEU 93 0.868 -8.325 2.032 691 HD11 LEU 93 1HD1 LEU 93 0.287 -10.130 3.446 692 HD12 LEU 93 2HD1 LEU 93 0.102 -11.233 2.083 693 HD13 LEU 93 3HD1 LEU 93 -1.056 -9.924 2.322 694 HD21 LEU 93 3HD2 LEU 93 2.248 -10.862 1.185 695 HD22 LEU 93 1HD2 LEU 93 2.743 -9.721 2.435 696 HD23 LEU 93 2HD2 LEU 93 2.815 -9.253 0.735 697 H ALA 94 H ALA 94 2.132 -8.354 -2.793 698 HA ALA 94 HA ALA 94 -0.195 -8.134 -4.579 699 HB1 ALA 94 3HB ALA 94 1.515 -7.732 -6.361 700 HB2 ALA 94 1HB ALA 94 1.458 -6.499 -5.101 701 HB3 ALA 94 2HB ALA 94 2.742 -7.709 -5.094 702 H SER 95 H SER 95 -0.992 -9.990 -5.292 703 HA SER 95 HA SER 95 0.861 -12.240 -5.734 704 HB2 SER 95 1HB SER 95 -0.708 -13.761 -4.922 705 HB3 SER 95 2HB SER 95 -0.935 -12.384 -3.844 706 HG SER 95 HG SER 95 -2.948 -12.689 -4.463 707 H ASP 96 H ASP 96 1.160 -12.534 -7.835 708 HA ASP 96 HA ASP 96 -0.985 -11.867 -9.712 709 HB2 ASP 96 1HB ASP 96 0.920 -10.891 -10.556 710 HB3 ASP 96 2HB ASP 96 1.976 -12.146 -9.914 711 H GLY 97 H GLY 97 1.269 -14.534 -9.008 712 HA2 GLY 97 1HA GLY 97 -0.598 -16.579 -9.228 713 HA3 GLY 97 2HA GLY 97 0.081 -16.353 -10.833 714 H SER 98 H SER 98 1.494 -16.267 -7.564 715 HA SER 98 HA SER 98 3.230 -18.508 -8.326 716 HB2 SER 98 1HB SER 98 5.206 -17.407 -7.527 717 HB3 SER 98 2HB SER 98 4.415 -16.302 -8.652 718 HG SER 98 HG SER 98 4.270 -16.219 -5.817 719 H SER 99 H SER 99 4.568 -19.172 -6.280 720 HA SER 99 HA SER 99 2.971 -20.358 -4.451 721 HB2 SER 99 1HB SER 99 5.685 -19.192 -3.789 722 HB3 SER 99 2HB SER 99 4.893 -20.539 -2.971 723 HG SER 99 HG SER 99 6.344 -20.518 -5.273 724 H THR 100 H THR 100 4.774 -17.401 -3.601 725 HA THR 100 HA THR 100 2.424 -16.468 -2.107 726 HB THR 100 HB THR 100 3.997 -15.651 -0.301 727 HG1 THR 100 1HG THR 100 5.781 -17.658 -1.152 728 HG21 THR 100 3HG2 THR 100 4.217 -17.944 0.744 729 HG22 THR 100 1HG2 THR 100 3.577 -18.600 -0.762 730 HG23 THR 100 2HG2 THR 100 2.596 -17.502 0.209 731 HA PRO 101 HA PRO 101 3.284 -12.642 -4.114 732 HB2 PRO 101 1HB PRO 101 1.929 -10.979 -2.450 733 HB3 PRO 101 2HB PRO 101 1.123 -12.059 -3.594 734 HG2 PRO 101 1HG PRO 101 1.594 -12.418 -0.660 735 HG3 PRO 101 2HG PRO 101 0.136 -12.760 -1.609 736 HD2 PRO 101 1HD PRO 101 1.875 -14.696 -0.859 737 HD3 PRO 101 2HD PRO 101 0.957 -14.773 -2.377 738 H ALA 102 H ALA 102 4.022 -10.356 -3.514 739 HA ALA 102 HA ALA 102 6.313 -10.612 -1.724 740 HB1 ALA 102 3HB ALA 102 5.801 -9.228 -4.172 741 HB2 ALA 102 1HB ALA 102 6.309 -8.073 -2.940 742 HB3 ALA 102 2HB ALA 102 7.330 -9.460 -3.323 743 H ARG 103 H ARG 103 6.678 -9.317 0.042 744 HA ARG 103 HA ARG 103 4.337 -7.849 1.029 745 HB2 ARG 103 1HB ARG 103 5.251 -8.132 3.244 746 HB3 ARG 103 2HB ARG 103 5.244 -9.691 2.429 747 HG2 ARG 103 1HG ARG 103 7.586 -9.615 2.072 748 HG3 ARG 103 2HG ARG 103 7.669 -7.923 2.567 749 HD2 ARG 103 1HD ARG 103 7.407 -8.428 4.806 750 HD3 ARG 103 2HD ARG 103 6.624 -9.972 4.471 751 HE ARG 103 HE ARG 103 8.684 -10.960 4.433 752 HH11 ARG 103 1HH1 ARG 103 9.076 -7.517 4.093 753 HH12 ARG 103 2HH1 ARG 103 10.804 -7.570 4.213 754 HH21 ARG 103 1HH2 ARG 103 10.958 -11.043 4.591 755 HH22 ARG 103 2HH2 ARG 103 11.873 -9.577 4.495 756 H ALA 104 H ALA 104 4.459 -5.736 1.701 757 HA ALA 104 HA ALA 104 7.028 -4.351 1.502 758 HB1 ALA 104 3HB ALA 104 6.524 -3.105 -0.278 759 HB2 ALA 104 1HB ALA 104 5.239 -4.272 -0.590 760 HB3 ALA 104 2HB ALA 104 4.888 -2.789 0.300 761 H THR 105 H THR 105 7.309 -2.980 3.137 762 HA THR 105 HA THR 105 5.044 -2.412 4.890 763 HB THR 105 HB THR 105 7.953 -1.752 5.369 764 HG1 THR 105 1HG THR 105 6.498 -4.031 6.273 765 HG21 THR 105 3HG2 THR 105 6.733 -2.230 7.784 766 HG22 THR 105 1HG2 THR 105 5.471 -1.404 6.872 767 HG23 THR 105 2HG2 THR 105 7.044 -0.638 7.092 768 H VAL 106 H VAL 106 4.403 -0.348 5.480 769 HA VAL 106 HA VAL 106 5.668 1.924 4.136 770 HB VAL 106 HB VAL 106 2.712 1.323 3.972 771 HG11 VAL 106 1HG1 VAL 106 2.382 3.401 2.958 772 HG12 VAL 106 2HG1 VAL 106 3.456 3.757 4.313 773 HG13 VAL 106 3HG1 VAL 106 4.106 3.642 2.677 774 HG21 VAL 106 3HG2 VAL 106 4.869 1.418 1.867 775 HG22 VAL 106 1HG2 VAL 106 3.945 0.007 2.384 776 HG23 VAL 106 2HG2 VAL 106 3.142 1.320 1.523 777 H THR 107 H THR 107 6.164 3.297 5.704 778 HA THR 107 HA THR 107 4.456 3.446 8.083 779 HB THR 107 HB THR 107 7.159 4.742 7.755 780 HG1 THR 107 1HG THR 107 8.061 2.853 8.071 781 HG21 THR 107 3HG2 THR 107 6.177 3.722 10.348 782 HG22 THR 107 1HG2 THR 107 5.321 5.115 9.688 783 HG23 THR 107 2HG2 THR 107 7.060 5.202 9.973 784 H ILE 108 H ILE 108 3.131 5.110 8.379 785 HA ILE 108 HA ILE 108 3.585 7.556 6.798 786 HB ILE 108 HB ILE 108 0.931 6.573 7.847 787 HG12 ILE 108 1HG1 ILE 108 1.666 6.547 4.946 788 HG13 ILE 108 2HG1 ILE 108 2.196 5.220 5.973 789 HG21 ILE 108 1HG2 ILE 108 1.454 9.075 7.321 790 HG22 ILE 108 2HG2 ILE 108 1.296 8.553 5.645 791 HG23 ILE 108 3HG2 ILE 108 -0.054 8.350 6.762 792 HD11 ILE 108 3HD1 ILE 108 -0.602 5.817 6.365 793 HD12 ILE 108 1HD1 ILE 108 -0.234 5.452 4.679 794 HD13 ILE 108 2HD1 ILE 108 0.183 4.295 5.944 795 H ASN 109 H ASN 109 4.408 9.092 8.057 796 HA ASN 109 HA ASN 109 3.784 9.186 10.891 797 HB2 ASN 109 1HB ASN 109 5.684 10.727 9.128 798 HB3 ASN 109 2HB ASN 109 5.397 11.175 10.807 799 HD21 ASN 109 1HD2 ASN 109 6.019 8.212 8.949 800 HD22 ASN 109 2HD2 ASN 109 7.214 7.586 10.029 801 H VAL 110 H VAL 110 2.275 10.437 11.769 802 HA VAL 110 HA VAL 110 0.785 12.269 10.082 803 HB VAL 110 HB VAL 110 0.340 11.478 12.964 804 HG11 VAL 110 1HG1 VAL 110 -2.056 12.350 12.072 805 HG12 VAL 110 2HG1 VAL 110 -0.903 13.359 12.948 806 HG13 VAL 110 3HG1 VAL 110 -0.972 13.423 11.187 807 HG21 VAL 110 3HG2 VAL 110 -1.512 10.126 12.043 808 HG22 VAL 110 1HG2 VAL 110 -0.969 10.535 10.416 809 HG23 VAL 110 2HG2 VAL 110 0.070 9.587 11.480 810 H THR 111 H THR 111 1.204 14.365 9.962 811 HA THR 111 HA THR 111 2.839 15.609 12.060 812 HB THR 111 HB THR 111 3.316 17.381 10.442 813 HG1 THR 111 1HG THR 111 1.256 17.133 9.299 814 HG21 THR 111 3HG2 THR 111 4.433 15.911 8.666 815 HG22 THR 111 1HG2 THR 111 3.763 14.543 9.554 816 HG23 THR 111 2HG2 THR 111 4.893 15.641 10.347 817 H ASP 112 H ASP 112 2.222 17.504 13.072 818 HA ASP 112 HA ASP 112 -0.464 17.877 13.656 819 HB2 ASP 112 1HB ASP 112 1.976 19.585 13.997 820 HB3 ASP 112 2HB ASP 112 0.389 20.249 14.378 821 H VAL 113 H VAL 113 -1.641 20.033 13.336 822 HA VAL 113 HA VAL 113 -1.247 21.102 10.634 823 HB VAL 113 HB VAL 113 -3.860 21.076 10.508 824 HG11 VAL 113 1HG1 VAL 113 -2.859 18.352 10.044 825 HG12 VAL 113 2HG1 VAL 113 -3.610 19.494 8.928 826 HG13 VAL 113 3HG1 VAL 113 -1.897 19.639 9.319 827 HG21 VAL 113 3HG2 VAL 113 -3.873 18.466 11.774 828 HG22 VAL 113 1HG2 VAL 113 -3.529 19.761 12.921 829 HG23 VAL 113 2HG2 VAL 113 -5.000 19.811 11.949 830 H ASN 114 H ASN 114 -1.202 23.243 10.700 831 HA ASN 114 HA ASN 114 -1.813 24.720 13.032 832 HB2 ASN 114 1HB ASN 114 -0.127 25.481 11.435 833 HB3 ASN 114 2HB ASN 114 -1.362 25.670 10.194 834 HD21 ASN 114 1HD2 ASN 114 0.399 27.221 12.532 835 HD22 ASN 114 2HD2 ASN 114 -0.561 28.647 12.700 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.857 -23.384 -34.945 2 HA2 GLY 1 1HA GLY 1 5.575 -24.281 -34.237 3 HA3 GLY 1 2HA GLY 1 5.251 -22.578 -34.525 4 H SER 2 H SER 2 6.320 -23.071 -32.179 5 HA SER 2 HA SER 2 4.145 -23.332 -30.228 6 HB2 SER 2 1HB SER 2 7.147 -23.514 -29.973 7 HB3 SER 2 2HB SER 2 6.085 -23.413 -28.569 8 HG SER 2 HG SER 2 5.612 -25.437 -28.829 9 H SER 3 H SER 3 7.079 -21.336 -30.615 10 HA SER 3 HA SER 3 7.539 -19.191 -29.995 11 HB2 SER 3 1HB SER 3 6.185 -17.592 -30.983 12 HB3 SER 3 2HB SER 3 5.694 -19.036 -31.869 13 HG SER 3 HG SER 3 4.039 -19.185 -30.088 14 H GLY 4 H GLY 4 6.621 -20.961 -27.901 15 HA2 GLY 4 1HA GLY 4 5.735 -18.903 -26.003 16 HA3 GLY 4 2HA GLY 4 4.834 -20.409 -26.088 17 H SER 5 H SER 5 7.103 -18.838 -24.361 18 HA SER 5 HA SER 5 9.146 -20.684 -23.915 19 HB2 SER 5 1HB SER 5 9.223 -18.370 -23.088 20 HB3 SER 5 2HB SER 5 7.929 -18.730 -21.946 21 HG SER 5 HG SER 5 10.213 -20.340 -21.907 22 H SER 6 H SER 6 9.086 -22.678 -23.146 23 HA SER 6 HA SER 6 6.739 -23.792 -21.980 24 HB2 SER 6 1HB SER 6 9.533 -24.838 -22.414 25 HB3 SER 6 2HB SER 6 8.301 -25.791 -21.588 26 HG SER 6 HG SER 6 8.631 -25.345 -24.231 27 H GLY 7 H GLY 7 6.346 -22.525 -20.122 28 HA2 GLY 7 1HA GLY 7 6.313 -22.679 -17.761 29 HA3 GLY 7 2HA GLY 7 7.918 -23.394 -17.809 30 H ASN 8 H ASN 8 6.966 -21.203 -16.157 31 HA ASN 8 HA ASN 8 9.171 -19.461 -16.427 32 HB2 ASN 8 1HB ASN 8 8.191 -17.448 -17.178 33 HB3 ASN 8 2HB ASN 8 7.614 -18.675 -18.302 34 HD21 ASN 8 1HD2 ASN 8 6.629 -16.012 -16.992 35 HD22 ASN 8 2HD2 ASN 8 4.969 -16.360 -16.659 36 H ASP 9 H ASP 9 9.519 -18.326 -14.569 37 HA ASP 9 HA ASP 9 7.343 -18.050 -12.641 38 HB2 ASP 9 1HB ASP 9 9.973 -19.371 -11.938 39 HB3 ASP 9 2HB ASP 9 8.644 -19.040 -10.831 40 H ASN 10 H ASN 10 7.376 -16.096 -11.751 41 HA ASN 10 HA ASN 10 9.840 -14.774 -11.065 42 HB2 ASN 10 1HB ASN 10 9.484 -14.294 -13.536 43 HB3 ASN 10 2HB ASN 10 8.051 -13.386 -13.062 44 HD21 ASN 10 1HD2 ASN 10 9.932 -12.072 -14.410 45 HD22 ASN 10 2HD2 ASN 10 10.801 -10.991 -13.379 46 H ARG 11 H ARG 11 9.525 -13.633 -9.267 47 HA ARG 11 HA ARG 11 6.797 -13.195 -8.349 48 HB2 ARG 11 1HB ARG 11 9.488 -13.253 -7.061 49 HB3 ARG 11 2HB ARG 11 8.209 -12.336 -6.278 50 HG2 ARG 11 1HG ARG 11 7.932 -14.351 -5.259 51 HG3 ARG 11 2HG ARG 11 6.852 -14.562 -6.639 52 HD2 ARG 11 1HD ARG 11 8.229 -16.532 -6.363 53 HD3 ARG 11 2HD ARG 11 8.665 -15.699 -7.854 54 HE ARG 11 HE ARG 11 10.326 -14.821 -5.755 55 HH11 ARG 11 1HH1 ARG 11 9.749 -17.599 -7.772 56 HH12 ARG 11 2HH1 ARG 11 11.383 -18.167 -7.681 57 HH21 ARG 11 1HH2 ARG 11 12.481 -15.559 -5.627 58 HH22 ARG 11 2HH2 ARG 11 12.936 -17.007 -6.459 59 HA PRO 12 HA PRO 12 6.690 -8.901 -9.284 60 HB2 PRO 12 1HB PRO 12 4.970 -8.049 -7.364 61 HB3 PRO 12 2HB PRO 12 4.453 -8.989 -8.769 62 HG2 PRO 12 1HG PRO 12 4.999 -9.907 -5.972 63 HG3 PRO 12 2HG PRO 12 3.669 -10.354 -7.057 64 HD2 PRO 12 1HD PRO 12 5.830 -11.940 -6.672 65 HD3 PRO 12 2HD PRO 12 4.958 -11.873 -8.217 66 H VAL 13 H VAL 13 7.984 -7.228 -8.834 67 HA VAL 13 HA VAL 13 9.173 -7.077 -6.145 68 HB VAL 13 HB VAL 13 11.022 -5.828 -7.192 69 HG11 VAL 13 1HG1 VAL 13 10.342 -8.576 -8.172 70 HG12 VAL 13 2HG1 VAL 13 11.850 -7.791 -8.645 71 HG13 VAL 13 3HG1 VAL 13 11.507 -8.089 -6.941 72 HG21 VAL 13 3HG2 VAL 13 9.470 -6.353 -9.718 73 HG22 VAL 13 1HG2 VAL 13 9.976 -4.798 -9.057 74 HG23 VAL 13 2HG2 VAL 13 11.178 -5.913 -9.706 75 H PHE 14 H PHE 14 8.990 -5.261 -4.954 76 HA PHE 14 HA PHE 14 7.185 -3.204 -5.919 77 HB2 PHE 14 1HB PHE 14 8.332 -3.927 -3.245 78 HB3 PHE 14 2HB PHE 14 7.618 -2.336 -3.490 79 HD1 PHE 14 1HD PHE 14 5.311 -2.771 -5.101 80 HD2 PHE 14 2HD PHE 14 6.904 -5.231 -2.014 81 HE1 PHE 14 1HE PHE 14 3.073 -3.713 -4.702 82 HE2 PHE 14 2HE PHE 14 4.669 -6.177 -1.611 83 HZ PHE 14 HZ PHE 14 2.751 -5.419 -2.956 84 H LYS 15 H LYS 15 7.765 -1.239 -6.592 85 HA LYS 15 HA LYS 15 10.250 -0.508 -7.394 86 HB2 LYS 15 1HB LYS 15 9.490 1.765 -7.493 87 HB3 LYS 15 2HB LYS 15 8.124 0.722 -7.867 88 HG2 LYS 15 1HG LYS 15 7.101 2.142 -6.431 89 HG3 LYS 15 2HG LYS 15 7.706 0.967 -5.261 90 HD2 LYS 15 1HD LYS 15 8.245 3.127 -4.423 91 HD3 LYS 15 2HD LYS 15 9.747 2.415 -5.017 92 HE2 LYS 15 1HE LYS 15 8.144 4.077 -6.889 93 HE3 LYS 15 2HE LYS 15 9.038 4.898 -5.611 94 HZ1 LYS 15 3HZ LYS 15 10.815 4.744 -6.903 95 HZ2 LYS 15 1HZ LYS 15 10.005 3.768 -8.024 96 HZ3 LYS 15 2HZ LYS 15 10.786 3.064 -6.699 97 H GLU 16 H GLU 16 8.935 -0.237 -4.156 98 HA GLU 16 HA GLU 16 11.613 0.228 -3.126 99 HB2 GLU 16 1HB GLU 16 9.388 2.206 -2.965 100 HB3 GLU 16 2HB GLU 16 10.428 2.019 -1.560 101 HG2 GLU 16 1HG GLU 16 11.675 2.401 -4.234 102 HG3 GLU 16 2HG GLU 16 10.963 3.787 -3.410 103 H GLY 17 H GLY 17 11.945 -0.669 -1.143 104 HA2 GLY 17 1HA GLY 17 9.907 -2.452 -0.164 105 HA3 GLY 17 2HA GLY 17 11.531 -2.268 0.480 106 H GLN 18 H GLN 18 11.811 0.094 1.458 107 HA GLN 18 HA GLN 18 9.499 0.526 3.234 108 HB2 GLN 18 1HB GLN 18 11.712 -0.446 4.187 109 HB3 GLN 18 2HB GLN 18 12.319 1.195 4.016 110 HG2 GLN 18 1HG GLN 18 10.256 1.890 5.367 111 HG3 GLN 18 2HG GLN 18 10.125 0.181 5.781 112 HE21 GLN 18 1HE2 GLN 18 12.411 2.880 5.779 113 HE22 GLN 18 2HE2 GLN 18 13.245 2.404 7.215 114 H VAL 19 H VAL 19 8.536 2.413 2.941 115 HA VAL 19 HA VAL 19 10.176 4.747 2.218 116 HB VAL 19 HB VAL 19 7.435 4.230 1.067 117 HG11 VAL 19 1HG1 VAL 19 9.047 6.539 1.243 118 HG12 VAL 19 2HG1 VAL 19 9.071 6.017 -0.442 119 HG13 VAL 19 3HG1 VAL 19 7.533 6.332 0.363 120 HG21 VAL 19 3HG2 VAL 19 8.851 2.556 0.135 121 HG22 VAL 19 1HG2 VAL 19 8.681 3.827 -1.075 122 HG23 VAL 19 2HG2 VAL 19 10.157 3.714 -0.117 123 H GLU 20 H GLU 20 9.982 6.262 3.718 124 HA GLU 20 HA GLU 20 7.642 6.270 5.466 125 HB2 GLU 20 1HB GLU 20 9.800 6.318 6.568 126 HB3 GLU 20 2HB GLU 20 10.282 7.731 5.639 127 HG2 GLU 20 1HG GLU 20 8.128 8.765 6.756 128 HG3 GLU 20 2HG GLU 20 8.447 7.518 7.960 129 H VAL 21 H VAL 21 6.015 7.626 5.153 130 HA VAL 21 HA VAL 21 6.502 10.069 3.576 131 HB VAL 21 HB VAL 21 4.124 9.970 2.913 132 HG11 VAL 21 1HG1 VAL 21 5.698 7.482 2.256 133 HG12 VAL 21 2HG1 VAL 21 4.342 8.122 1.326 134 HG13 VAL 21 3HG1 VAL 21 5.841 9.043 1.448 135 HG21 VAL 21 3HG2 VAL 21 2.703 8.195 3.446 136 HG22 VAL 21 1HG2 VAL 21 4.034 7.171 3.985 137 HG23 VAL 21 2HG2 VAL 21 3.525 8.545 4.966 138 H HIS 22 H HIS 22 5.463 11.983 4.202 139 HA HIS 22 HA HIS 22 4.488 11.979 6.983 140 HB2 HIS 22 1HB HIS 22 5.479 14.080 7.335 141 HB3 HIS 22 2HB HIS 22 6.684 13.189 6.410 142 HD1 HIS 22 1HD HIS 22 6.525 13.709 3.695 143 HD2 HIS 22 2HD HIS 22 4.934 16.520 6.308 144 HE1 HIS 22 1HE HIS 22 6.361 15.841 2.371 145 HE2 HIS 22 2HE HIS 22 5.476 17.549 3.998 146 H ILE 23 H ILE 23 2.389 12.352 7.173 147 HA ILE 23 HA ILE 23 1.122 14.312 5.399 148 HB ILE 23 HB ILE 23 0.623 12.097 4.459 149 HG12 ILE 23 1HG1 ILE 23 -1.631 13.629 5.746 150 HG13 ILE 23 2HG1 ILE 23 -1.059 13.726 4.085 151 HG21 ILE 23 1HG2 ILE 23 -0.571 10.425 5.654 152 HG22 ILE 23 2HG2 ILE 23 0.797 10.901 6.659 153 HG23 ILE 23 3HG2 ILE 23 -0.820 11.497 7.031 154 HD11 ILE 23 3HD1 ILE 23 -2.943 11.860 5.331 155 HD12 ILE 23 1HD1 ILE 23 -2.841 12.439 3.669 156 HD13 ILE 23 2HD1 ILE 23 -1.791 11.131 4.213 157 HA PRO 24 HA PRO 24 -0.505 15.788 9.229 158 HB2 PRO 24 1HB PRO 24 -2.430 17.414 8.217 159 HB3 PRO 24 2HB PRO 24 -0.710 17.819 8.173 160 HG2 PRO 24 1HG PRO 24 -2.440 16.672 6.017 161 HG3 PRO 24 2HG PRO 24 -1.214 17.948 5.907 162 HD2 PRO 24 1HD PRO 24 -0.729 15.392 5.155 163 HD3 PRO 24 2HD PRO 24 0.529 16.440 5.841 164 H GLU 25 H GLU 25 -2.445 15.742 10.501 165 HA GLU 25 HA GLU 25 -4.056 13.426 9.981 166 HB2 GLU 25 1HB GLU 25 -5.056 13.861 12.145 167 HB3 GLU 25 2HB GLU 25 -3.310 14.035 12.257 168 HG2 GLU 25 1HG GLU 25 -3.412 16.296 12.577 169 HG3 GLU 25 2HG GLU 25 -4.951 16.457 11.733 170 H ASN 26 H ASN 26 -4.349 16.811 9.434 171 HA ASN 26 HA ASN 26 -7.241 16.629 9.032 172 HB2 ASN 26 1HB ASN 26 -6.276 18.559 10.295 173 HB3 ASN 26 2HB ASN 26 -5.451 19.059 8.822 174 HD21 ASN 26 1HD2 ASN 26 -6.430 20.725 7.952 175 HD22 ASN 26 2HD2 ASN 26 -8.138 20.957 7.829 176 H ALA 27 H ALA 27 -4.962 15.536 7.271 177 HA ALA 27 HA ALA 27 -4.814 16.907 4.863 178 HB1 ALA 27 3HB ALA 27 -4.691 13.964 5.469 179 HB2 ALA 27 1HB ALA 27 -4.408 14.622 3.857 180 HB3 ALA 27 2HB ALA 27 -3.354 15.081 5.194 181 HA PRO 28 HA PRO 28 -8.848 16.657 3.119 182 HB2 PRO 28 1HB PRO 28 -8.203 16.932 0.496 183 HB3 PRO 28 2HB PRO 28 -8.147 18.274 1.645 184 HG2 PRO 28 1HG PRO 28 -5.915 16.561 0.623 185 HG3 PRO 28 2HG PRO 28 -5.957 18.318 0.864 186 HD2 PRO 28 1HD PRO 28 -4.779 16.634 2.627 187 HD3 PRO 28 2HD PRO 28 -5.567 18.143 3.129 188 H VAL 29 H VAL 29 -10.215 15.148 2.278 189 HA VAL 29 HA VAL 29 -9.306 12.480 2.003 190 HB VAL 29 HB VAL 29 -11.971 13.660 1.206 191 HG11 VAL 29 1HG1 VAL 29 -11.225 11.357 0.289 192 HG12 VAL 29 2HG1 VAL 29 -11.495 10.799 1.941 193 HG13 VAL 29 3HG1 VAL 29 -12.821 11.512 1.022 194 HG21 VAL 29 3HG2 VAL 29 -12.765 12.992 3.367 195 HG22 VAL 29 1HG2 VAL 29 -11.221 12.231 3.751 196 HG23 VAL 29 2HG2 VAL 29 -11.324 13.984 3.594 197 H GLY 30 H GLY 30 -8.671 11.349 0.270 198 HA2 GLY 30 1HA GLY 30 -8.814 10.747 -2.041 199 HA3 GLY 30 2HA GLY 30 -9.281 12.401 -2.407 200 H THR 31 H THR 31 -6.721 12.156 -0.187 201 HA THR 31 HA THR 31 -4.881 13.257 -2.128 202 HB THR 31 HB THR 31 -4.390 12.631 0.790 203 HG1 THR 31 1HG THR 31 -6.123 14.239 0.125 204 HG21 THR 31 3HG2 THR 31 -2.902 14.844 -0.235 205 HG22 THR 31 1HG2 THR 31 -2.649 13.451 -1.285 206 HG23 THR 31 2HG2 THR 31 -2.304 13.329 0.441 207 H SER 32 H SER 32 -2.980 12.342 -2.835 208 HA SER 32 HA SER 32 -2.861 9.442 -2.674 209 HB2 SER 32 1HB SER 32 -1.091 9.682 -4.421 210 HB3 SER 32 2HB SER 32 -2.627 10.418 -4.878 211 HG SER 32 HG SER 32 -0.606 11.680 -5.210 212 H VAL 33 H VAL 33 -1.888 8.664 -0.911 213 HA VAL 33 HA VAL 33 0.226 10.048 0.441 214 HB VAL 33 HB VAL 33 -0.705 7.201 0.836 215 HG11 VAL 33 1HG1 VAL 33 0.262 7.460 3.079 216 HG12 VAL 33 2HG1 VAL 33 1.479 7.634 1.812 217 HG13 VAL 33 3HG1 VAL 33 0.847 9.062 2.633 218 HG21 VAL 33 3HG2 VAL 33 -2.150 9.552 1.238 219 HG22 VAL 33 1HG2 VAL 33 -2.519 7.953 1.882 220 HG23 VAL 33 2HG2 VAL 33 -1.570 9.091 2.838 221 H ILE 34 H ILE 34 0.190 6.731 -0.868 222 HA ILE 34 HA ILE 34 2.851 7.206 -2.008 223 HB ILE 34 HB ILE 34 3.087 6.097 0.225 224 HG12 ILE 34 1HG1 ILE 34 3.946 4.119 -1.846 225 HG13 ILE 34 2HG1 ILE 34 4.561 5.765 -1.942 226 HG21 ILE 34 1HG2 ILE 34 0.933 4.742 -0.167 227 HG22 ILE 34 2HG2 ILE 34 1.974 3.625 -1.049 228 HG23 ILE 34 3HG2 ILE 34 2.281 3.956 0.656 229 HD11 ILE 34 3HD1 ILE 34 6.129 4.396 -0.759 230 HD12 ILE 34 1HD1 ILE 34 5.400 5.537 0.370 231 HD13 ILE 34 2HD1 ILE 34 4.876 3.853 0.357 232 H GLN 35 H GLN 35 3.422 5.802 -3.731 233 HA GLN 35 HA GLN 35 1.122 4.401 -4.925 234 HB2 GLN 35 1HB GLN 35 1.788 6.431 -6.162 235 HB3 GLN 35 2HB GLN 35 3.408 5.774 -6.349 236 HG2 GLN 35 1HG GLN 35 2.472 5.255 -8.370 237 HG3 GLN 35 2HG GLN 35 2.174 3.774 -7.461 238 HE21 GLN 35 1HE2 GLN 35 0.326 3.027 -8.262 239 HE22 GLN 35 2HE2 GLN 35 -1.153 3.914 -8.361 240 H LEU 36 H LEU 36 1.345 2.296 -5.316 241 HA LEU 36 HA LEU 36 4.048 1.140 -5.152 242 HB2 LEU 36 1HB LEU 36 1.362 -0.063 -4.510 243 HB3 LEU 36 2HB LEU 36 2.871 -0.973 -4.541 244 HG LEU 36 HG LEU 36 2.367 1.361 -2.701 245 HD11 LEU 36 1HD1 LEU 36 2.411 -1.391 -1.643 246 HD12 LEU 36 2HD1 LEU 36 0.965 -0.920 -2.536 247 HD13 LEU 36 3HD1 LEU 36 1.474 0.012 -1.129 248 HD21 LEU 36 3HD2 LEU 36 4.720 0.159 -3.435 249 HD22 LEU 36 1HD2 LEU 36 4.291 -0.700 -1.956 250 HD23 LEU 36 2HD2 LEU 36 4.446 1.057 -1.941 251 H HIS 37 H HIS 37 4.814 0.737 -7.121 252 HA HIS 37 HA HIS 37 2.968 -0.260 -9.182 253 HB2 HIS 37 1HB HIS 37 4.536 1.857 -9.442 254 HB3 HIS 37 2HB HIS 37 5.742 0.636 -9.835 255 HD1 HIS 37 1HD HIS 37 3.057 2.587 -11.301 256 HD2 HIS 37 2HD HIS 37 4.927 -1.033 -12.113 257 HE1 HIS 37 1HE HIS 37 2.459 2.041 -13.682 258 HE2 HIS 37 2HE HIS 37 3.532 -0.195 -14.124 259 H ALA 38 H ALA 38 3.001 -2.376 -9.502 260 HA ALA 38 HA ALA 38 5.541 -3.821 -9.107 261 HB1 ALA 38 3HB ALA 38 4.477 -5.563 -8.080 262 HB2 ALA 38 1HB ALA 38 3.449 -4.229 -7.555 263 HB3 ALA 38 2HB ALA 38 2.945 -5.256 -8.897 264 H THR 39 H THR 39 6.339 -4.840 -10.825 265 HA THR 39 HA THR 39 4.526 -5.437 -13.071 266 HB THR 39 HB THR 39 6.603 -5.083 -14.536 267 HG1 THR 39 1HG THR 39 7.403 -3.589 -12.241 268 HG21 THR 39 3HG2 THR 39 5.051 -3.466 -14.953 269 HG22 THR 39 1HG2 THR 39 6.282 -2.455 -14.198 270 HG23 THR 39 2HG2 THR 39 4.902 -3.016 -13.255 271 H ASP 40 H ASP 40 5.227 -7.194 -14.468 272 HA ASP 40 HA ASP 40 7.185 -9.031 -13.314 273 HB2 ASP 40 1HB ASP 40 4.792 -9.521 -12.478 274 HB3 ASP 40 2HB ASP 40 4.478 -10.069 -14.122 275 H ALA 41 H ALA 41 7.393 -11.020 -14.826 276 HA ALA 41 HA ALA 41 8.472 -10.334 -17.207 277 HB1 ALA 41 3HB ALA 41 6.927 -12.890 -16.816 278 HB2 ALA 41 1HB ALA 41 8.290 -12.614 -17.902 279 HB3 ALA 41 2HB ALA 41 8.535 -12.595 -16.155 280 H ASP 42 H ASP 42 7.544 -8.965 -18.616 281 HA ASP 42 HA ASP 42 4.827 -8.740 -19.196 282 HB2 ASP 42 1HB ASP 42 6.202 -6.934 -19.839 283 HB3 ASP 42 2HB ASP 42 7.300 -7.979 -20.736 284 H ILE 43 H ILE 43 7.201 -9.941 -21.559 285 HA ILE 43 HA ILE 43 5.415 -11.183 -23.251 286 HB ILE 43 HB ILE 43 7.794 -10.826 -23.789 287 HG12 ILE 43 1HG1 ILE 43 8.146 -12.961 -24.993 288 HG13 ILE 43 2HG1 ILE 43 6.869 -13.697 -24.031 289 HG21 ILE 43 1HG2 ILE 43 9.530 -11.872 -22.766 290 HG22 ILE 43 2HG2 ILE 43 8.389 -11.890 -21.422 291 HG23 ILE 43 3HG2 ILE 43 8.595 -13.327 -22.423 292 HD11 ILE 43 3HD1 ILE 43 5.376 -13.018 -25.505 293 HD12 ILE 43 1HD1 ILE 43 5.826 -11.340 -25.203 294 HD13 ILE 43 2HD1 ILE 43 6.653 -12.263 -26.458 295 H GLY 44 H GLY 44 3.962 -12.704 -22.820 296 HA2 GLY 44 1HA GLY 44 4.186 -15.268 -22.310 297 HA3 GLY 44 2HA GLY 44 4.502 -14.649 -20.697 298 H SER 45 H SER 45 2.819 -14.310 -19.391 299 HA SER 45 HA SER 45 0.137 -14.195 -20.606 300 HB2 SER 45 1HB SER 45 0.794 -16.360 -19.363 301 HB3 SER 45 2HB SER 45 0.664 -15.394 -17.894 302 HG SER 45 HG SER 45 -1.508 -14.831 -18.781 303 H ASN 46 H ASN 46 -1.353 -12.798 -19.706 304 HA ASN 46 HA ASN 46 -0.264 -10.546 -18.309 305 HB2 ASN 46 1HB ASN 46 -2.333 -9.490 -18.687 306 HB3 ASN 46 2HB ASN 46 -2.118 -10.534 -20.089 307 HD21 ASN 46 1HD2 ASN 46 -4.432 -9.418 -18.317 308 HD22 ASN 46 2HD2 ASN 46 -5.479 -10.785 -18.174 309 H ALA 47 H ALA 47 -0.039 -10.376 -16.187 310 HA ALA 47 HA ALA 47 -1.806 -11.972 -14.449 311 HB1 ALA 47 3HB ALA 47 0.876 -12.181 -14.572 312 HB2 ALA 47 1HB ALA 47 0.716 -10.948 -13.321 313 HB3 ALA 47 2HB ALA 47 -0.067 -12.515 -13.120 314 H GLU 48 H GLU 48 -3.145 -10.896 -13.157 315 HA GLU 48 HA GLU 48 -2.809 -8.000 -12.889 316 HB2 GLU 48 1HB GLU 48 -5.162 -9.830 -12.427 317 HB3 GLU 48 2HB GLU 48 -5.174 -8.130 -11.979 318 HG2 GLU 48 1HG GLU 48 -5.042 -9.344 -14.713 319 HG3 GLU 48 2HG GLU 48 -6.227 -8.215 -14.059 320 H ILE 49 H ILE 49 -1.240 -7.886 -11.286 321 HA ILE 49 HA ILE 49 -1.245 -9.335 -8.885 322 HB ILE 49 HB ILE 49 -0.094 -6.600 -9.447 323 HG12 ILE 49 1HG1 ILE 49 1.496 -9.127 -9.236 324 HG13 ILE 49 2HG1 ILE 49 0.639 -8.779 -10.733 325 HG21 ILE 49 1HG2 ILE 49 1.192 -6.800 -7.473 326 HG22 ILE 49 2HG2 ILE 49 -0.469 -7.176 -7.018 327 HG23 ILE 49 3HG2 ILE 49 0.701 -8.477 -7.237 328 HD11 ILE 49 3HD1 ILE 49 2.624 -7.821 -11.228 329 HD12 ILE 49 1HD1 ILE 49 1.860 -6.444 -10.433 330 HD13 ILE 49 2HD1 ILE 49 2.998 -7.457 -9.543 331 H ARG 50 H ARG 50 -2.590 -9.265 -7.221 332 HA ARG 50 HA ARG 50 -4.352 -6.948 -6.907 333 HB2 ARG 50 1HB ARG 50 -4.462 -9.763 -5.827 334 HB3 ARG 50 2HB ARG 50 -5.546 -8.492 -5.276 335 HG2 ARG 50 1HG ARG 50 -5.321 -9.077 -8.193 336 HG3 ARG 50 2HG ARG 50 -6.291 -10.124 -7.155 337 HD2 ARG 50 1HD ARG 50 -7.806 -8.452 -6.660 338 HD3 ARG 50 2HD ARG 50 -6.657 -7.164 -7.022 339 HE ARG 50 HE ARG 50 -7.414 -7.183 -9.170 340 HH11 ARG 50 1HH1 ARG 50 -8.179 -10.246 -7.703 341 HH12 ARG 50 2HH1 ARG 50 -9.068 -10.827 -9.072 342 HH21 ARG 50 1HH2 ARG 50 -8.582 -7.937 -10.978 343 HH22 ARG 50 2HH2 ARG 50 -9.296 -9.514 -10.935 344 H TYR 51 H TYR 51 -4.350 -5.663 -5.133 345 HA TYR 51 HA TYR 51 -2.216 -6.146 -3.167 346 HB2 TYR 51 1HB TYR 51 -3.603 -3.512 -3.626 347 HB3 TYR 51 2HB TYR 51 -2.050 -3.808 -2.853 348 HD1 TYR 51 2HD TYR 51 -0.078 -4.407 -4.234 349 HD2 TYR 51 1HD TYR 51 -3.784 -3.284 -5.996 350 HE1 TYR 51 2HE TYR 51 1.068 -4.004 -6.373 351 HE2 TYR 51 1HE TYR 51 -2.649 -2.879 -8.140 352 HH TYR 51 HH TYR 51 -0.011 -2.247 -8.735 353 H ILE 52 H ILE 52 -2.877 -6.913 -1.283 354 HA ILE 52 HA ILE 52 -5.464 -5.989 -0.216 355 HB ILE 52 HB ILE 52 -5.804 -8.152 0.832 356 HG12 ILE 52 1HG1 ILE 52 -3.484 -9.288 -0.695 357 HG13 ILE 52 2HG1 ILE 52 -3.224 -8.561 0.887 358 HG21 ILE 52 1HG2 ILE 52 -6.477 -9.349 -1.068 359 HG22 ILE 52 2HG2 ILE 52 -6.501 -7.660 -1.571 360 HG23 ILE 52 3HG2 ILE 52 -5.161 -8.703 -2.048 361 HD11 ILE 52 3HD1 ILE 52 -4.995 -10.904 0.241 362 HD12 ILE 52 1HD1 ILE 52 -3.476 -10.926 1.137 363 HD13 ILE 52 2HD1 ILE 52 -4.893 -10.130 1.822 364 H PHE 53 H PHE 53 -5.630 -6.011 2.131 365 HA PHE 53 HA PHE 53 -3.376 -4.824 3.363 366 HB2 PHE 53 1HB PHE 53 -6.013 -5.813 4.442 367 HB3 PHE 53 2HB PHE 53 -4.792 -5.073 5.473 368 HD1 PHE 53 2HD PHE 53 -4.151 -2.709 5.121 369 HD2 PHE 53 1HD PHE 53 -7.384 -4.510 3.020 370 HE1 PHE 53 2HE PHE 53 -5.008 -0.479 4.537 371 HE2 PHE 53 1HE PHE 53 -8.247 -2.282 2.431 372 HZ PHE 53 HZ PHE 53 -7.059 -0.263 3.191 373 H GLY 54 H GLY 54 -1.834 -5.628 4.692 374 HA2 GLY 54 1HA GLY 54 -1.201 -8.364 4.599 375 HA3 GLY 54 2HA GLY 54 -0.469 -7.186 5.678 376 H ALA 55 H ALA 55 -0.432 -9.093 7.130 377 HA ALA 55 HA ALA 55 -3.006 -9.822 8.285 378 HB1 ALA 55 3HB ALA 55 -1.582 -11.675 7.954 379 HB2 ALA 55 1HB ALA 55 -0.210 -10.849 8.695 380 HB3 ALA 55 2HB ALA 55 -1.573 -11.364 9.690 381 H GLN 56 H GLN 56 -3.491 -9.583 10.505 382 HA GLN 56 HA GLN 56 -3.653 -8.431 12.459 383 HB2 GLN 56 1HB GLN 56 -0.665 -8.332 12.060 384 HB3 GLN 56 2HB GLN 56 -1.457 -7.712 13.502 385 HG2 GLN 56 1HG GLN 56 -0.894 -9.807 14.200 386 HG3 GLN 56 2HG GLN 56 -2.517 -10.101 13.578 387 HE21 GLN 56 1HE2 GLN 56 -2.464 -12.091 12.785 388 HE22 GLN 56 2HE2 GLN 56 -1.309 -12.690 11.648 389 H VAL 57 H VAL 57 -4.289 -6.981 10.206 390 HA VAL 57 HA VAL 57 -3.041 -4.353 10.542 391 HB VAL 57 HB VAL 57 -4.982 -5.358 8.457 392 HG11 VAL 57 1HG1 VAL 57 -3.811 -2.648 8.961 393 HG12 VAL 57 2HG1 VAL 57 -4.256 -3.152 7.330 394 HG13 VAL 57 3HG1 VAL 57 -5.479 -3.092 8.600 395 HG21 VAL 57 3HG2 VAL 57 -2.033 -4.736 8.358 396 HG22 VAL 57 1HG2 VAL 57 -2.799 -6.312 8.157 397 HG23 VAL 57 2HG2 VAL 57 -3.031 -5.057 6.940 398 H ALA 58 H ALA 58 -3.929 -2.991 11.935 399 HA ALA 58 HA ALA 58 -6.241 -3.270 13.356 400 HB1 ALA 58 3HB ALA 58 -5.633 -1.332 14.267 401 HB2 ALA 58 1HB ALA 58 -4.292 -1.320 13.121 402 HB3 ALA 58 2HB ALA 58 -5.792 -0.476 12.733 403 HA PRO 59 HA PRO 59 -9.607 -2.653 10.585 404 HB2 PRO 59 1HB PRO 59 -11.503 -1.892 12.373 405 HB3 PRO 59 2HB PRO 59 -10.931 -3.558 12.231 406 HG2 PRO 59 1HG PRO 59 -10.147 -1.447 14.204 407 HG3 PRO 59 2HG PRO 59 -10.485 -3.166 14.480 408 HD2 PRO 59 1HD PRO 59 -7.967 -2.185 14.312 409 HD3 PRO 59 2HD PRO 59 -8.393 -3.821 13.769 410 H ALA 60 H ALA 60 -9.163 -0.114 13.047 411 HA ALA 60 HA ALA 60 -10.588 1.925 11.832 412 HB1 ALA 60 3HB ALA 60 -8.109 2.805 13.122 413 HB2 ALA 60 1HB ALA 60 -9.786 3.213 13.483 414 HB3 ALA 60 2HB ALA 60 -9.092 1.710 14.093 415 H THR 61 H THR 61 -7.355 0.750 11.153 416 HA THR 61 HA THR 61 -6.565 2.914 9.485 417 HB THR 61 HB THR 61 -5.531 0.075 9.607 418 HG1 THR 61 1HG THR 61 -5.334 1.635 11.475 419 HG21 THR 61 3HG2 THR 61 -4.565 0.643 7.646 420 HG22 THR 61 1HG2 THR 61 -3.469 1.567 8.672 421 HG23 THR 61 2HG2 THR 61 -4.835 2.368 7.895 422 H LYS 62 H LYS 62 -7.330 -0.457 8.591 423 HA LYS 62 HA LYS 62 -7.417 -0.334 5.913 424 HB2 LYS 62 1HB LYS 62 -9.112 -1.778 7.889 425 HB3 LYS 62 2HB LYS 62 -9.621 -1.810 6.206 426 HG2 LYS 62 1HG LYS 62 -7.563 -2.822 5.533 427 HG3 LYS 62 2HG LYS 62 -6.879 -2.618 7.147 428 HD2 LYS 62 1HD LYS 62 -9.400 -4.185 6.767 429 HD3 LYS 62 2HD LYS 62 -7.834 -4.931 6.439 430 HE2 LYS 62 1HE LYS 62 -7.188 -4.859 8.639 431 HE3 LYS 62 2HE LYS 62 -8.211 -3.472 9.007 432 HZ1 LYS 62 3HZ LYS 62 -9.849 -5.621 8.264 433 HZ2 LYS 62 1HZ LYS 62 -9.751 -4.845 9.764 434 HZ3 LYS 62 2HZ LYS 62 -8.759 -6.175 9.433 435 H ARG 63 H ARG 63 -9.752 1.121 8.078 436 HA ARG 63 HA ARG 63 -11.552 1.860 5.941 437 HB2 ARG 63 1HB ARG 63 -12.143 1.347 8.417 438 HB3 ARG 63 2HB ARG 63 -11.635 3.004 8.716 439 HG2 ARG 63 1HG ARG 63 -13.293 3.550 6.770 440 HG3 ARG 63 2HG ARG 63 -13.986 1.986 7.201 441 HD2 ARG 63 1HD ARG 63 -14.142 2.784 9.557 442 HD3 ARG 63 2HD ARG 63 -13.614 4.372 9.004 443 HE ARG 63 HE ARG 63 -15.715 4.744 8.170 444 HH11 ARG 63 1HH1 ARG 63 -15.342 1.355 8.874 445 HH12 ARG 63 2HH1 ARG 63 -17.012 0.982 8.606 446 HH21 ARG 63 1HH2 ARG 63 -17.917 4.265 7.814 447 HH22 ARG 63 2HH2 ARG 63 -18.476 2.638 8.002 448 H LEU 64 H LEU 64 -9.842 3.817 8.388 449 HA LEU 64 HA LEU 64 -10.109 6.298 7.381 450 HB2 LEU 64 1HB LEU 64 -7.596 5.071 8.500 451 HB3 LEU 64 2HB LEU 64 -7.818 6.800 8.245 452 HG LEU 64 HG LEU 64 -9.671 5.229 10.008 453 HD11 LEU 64 1HD1 LEU 64 -8.262 5.230 11.758 454 HD12 LEU 64 2HD1 LEU 64 -7.523 6.764 11.299 455 HD13 LEU 64 3HD1 LEU 64 -7.015 5.270 10.511 456 HD21 LEU 64 3HD2 LEU 64 -8.857 8.132 10.013 457 HD22 LEU 64 1HD2 LEU 64 -10.118 7.378 10.990 458 HD23 LEU 64 2HD2 LEU 64 -10.312 7.498 9.241 459 H PHE 65 H PHE 65 -7.879 3.842 6.174 460 HA PHE 65 HA PHE 65 -7.262 5.607 3.898 461 HB2 PHE 65 1HB PHE 65 -5.644 3.410 5.187 462 HB3 PHE 65 2HB PHE 65 -5.247 4.080 3.608 463 HD1 PHE 65 2HD PHE 65 -5.461 4.787 7.205 464 HD2 PHE 65 1HD PHE 65 -4.255 6.239 3.390 465 HE1 PHE 65 2HE PHE 65 -4.202 6.597 8.296 466 HE2 PHE 65 1HE PHE 65 -2.992 8.051 4.475 467 HZ PHE 65 HZ PHE 65 -2.966 8.233 6.931 468 H ALA 66 H ALA 66 -7.470 4.840 1.824 469 HA ALA 66 HA ALA 66 -8.879 2.266 1.560 470 HB1 ALA 66 3HB ALA 66 -8.974 4.543 -0.404 471 HB2 ALA 66 1HB ALA 66 -10.028 3.131 -0.322 472 HB3 ALA 66 2HB ALA 66 -10.113 4.370 0.931 473 H LEU 67 H LEU 67 -7.724 0.684 0.694 474 HA LEU 67 HA LEU 67 -5.478 1.369 -1.075 475 HB2 LEU 67 1HB LEU 67 -4.637 0.139 0.714 476 HB3 LEU 67 2HB LEU 67 -6.029 -0.940 0.748 477 HG LEU 67 HG LEU 67 -5.141 -1.757 -1.548 478 HD11 LEU 67 1HD1 LEU 67 -2.796 -0.258 -0.437 479 HD12 LEU 67 2HD1 LEU 67 -3.462 -0.225 -2.069 480 HD13 LEU 67 3HD1 LEU 67 -2.583 -1.646 -1.504 481 HD21 LEU 67 3HD2 LEU 67 -4.819 -2.607 1.084 482 HD22 LEU 67 1HD2 LEU 67 -3.215 -2.740 0.363 483 HD23 LEU 67 2HD2 LEU 67 -4.586 -3.565 -0.379 484 H ASN 68 H ASN 68 -6.108 1.323 -3.139 485 HA ASN 68 HA ASN 68 -8.241 -0.249 -4.133 486 HB2 ASN 68 1HB ASN 68 -6.148 1.508 -5.312 487 HB3 ASN 68 2HB ASN 68 -6.941 0.362 -6.390 488 HD21 ASN 68 1HD2 ASN 68 -7.760 2.229 -7.486 489 HD22 ASN 68 2HD2 ASN 68 -9.156 3.045 -6.876 490 H ASN 69 H ASN 69 -8.299 -2.257 -4.949 491 HA ASN 69 HA ASN 69 -5.851 -3.836 -4.843 492 HB2 ASN 69 1HB ASN 69 -8.529 -4.987 -5.538 493 HB3 ASN 69 2HB ASN 69 -7.194 -5.723 -4.656 494 HD21 ASN 69 1HD2 ASN 69 -7.301 -5.768 -2.521 495 HD22 ASN 69 2HD2 ASN 69 -8.412 -4.869 -1.551 496 H THR 70 H THR 70 -7.116 -1.923 -7.074 497 HA THR 70 HA THR 70 -6.499 -3.743 -9.311 498 HB THR 70 HB THR 70 -7.884 -2.280 -10.738 499 HG1 THR 70 1HG THR 70 -9.262 -0.753 -9.593 500 HG21 THR 70 3HG2 THR 70 -9.615 -3.017 -8.413 501 HG22 THR 70 1HG2 THR 70 -8.763 -4.279 -9.302 502 HG23 THR 70 2HG2 THR 70 -9.907 -3.230 -10.139 503 H THR 71 H THR 71 -5.812 -0.715 -7.772 504 HA THR 71 HA THR 71 -3.849 -0.100 -9.885 505 HB THR 71 HB THR 71 -3.970 2.275 -8.996 506 HG1 THR 71 1HG THR 71 -5.059 1.811 -7.035 507 HG21 THR 71 3HG2 THR 71 -5.300 1.114 -11.003 508 HG22 THR 71 1HG2 THR 71 -5.513 2.812 -10.582 509 HG23 THR 71 2HG2 THR 71 -6.674 1.611 -10.016 510 H GLY 72 H GLY 72 -4.332 -0.875 -6.596 511 HA2 GLY 72 1HA GLY 72 -2.853 -1.215 -4.873 512 HA3 GLY 72 2HA GLY 72 -1.570 -1.120 -6.070 513 H LEU 73 H LEU 73 -3.796 1.517 -5.616 514 HA LEU 73 HA LEU 73 -1.580 3.122 -4.546 515 HB2 LEU 73 1HB LEU 73 -2.360 4.027 -6.582 516 HB3 LEU 73 2HB LEU 73 -4.046 3.836 -6.107 517 HG LEU 73 HG LEU 73 -3.453 5.572 -4.265 518 HD11 LEU 73 1HD1 LEU 73 -0.955 5.337 -5.296 519 HD12 LEU 73 2HD1 LEU 73 -1.543 6.738 -4.403 520 HD13 LEU 73 3HD1 LEU 73 -1.556 6.749 -6.166 521 HD21 LEU 73 3HD2 LEU 73 -4.390 5.764 -6.960 522 HD22 LEU 73 1HD2 LEU 73 -3.482 7.219 -6.548 523 HD23 LEU 73 2HD2 LEU 73 -4.848 6.721 -5.551 524 H ILE 74 H ILE 74 -1.709 4.064 -2.595 525 HA ILE 74 HA ILE 74 -4.115 3.549 -1.008 526 HB ILE 74 HB ILE 74 -1.330 4.360 -0.173 527 HG12 ILE 74 1HG1 ILE 74 -2.866 1.812 0.366 528 HG13 ILE 74 2HG1 ILE 74 -1.690 1.995 -0.931 529 HG21 ILE 74 1HG2 ILE 74 -2.407 5.286 1.575 530 HG22 ILE 74 2HG2 ILE 74 -3.889 4.378 1.279 531 HG23 ILE 74 3HG2 ILE 74 -2.540 3.615 2.121 532 HD11 ILE 74 3HD1 ILE 74 -1.151 1.070 1.568 533 HD12 ILE 74 1HD1 ILE 74 0.039 1.743 0.453 534 HD13 ILE 74 2HD1 ILE 74 -0.682 2.765 1.697 535 H THR 75 H THR 75 -5.464 5.119 -0.414 536 HA THR 75 HA THR 75 -4.539 7.905 -0.497 537 HB THR 75 HB THR 75 -6.709 8.592 -1.492 538 HG1 THR 75 1HG THR 75 -7.972 6.781 -1.022 539 HG21 THR 75 3HG2 THR 75 -4.948 6.725 -3.071 540 HG22 THR 75 1HG2 THR 75 -4.862 8.484 -2.987 541 HG23 THR 75 2HG2 THR 75 -6.216 7.705 -3.807 542 H VAL 76 H VAL 76 -6.253 9.382 0.523 543 HA VAL 76 HA VAL 76 -6.984 8.203 3.084 544 HB VAL 76 HB VAL 76 -6.895 11.051 2.103 545 HG11 VAL 76 1HG1 VAL 76 -8.240 9.891 4.476 546 HG12 VAL 76 2HG1 VAL 76 -7.333 11.387 4.707 547 HG13 VAL 76 3HG1 VAL 76 -8.644 11.323 3.530 548 HG21 VAL 76 3HG2 VAL 76 -5.386 10.891 4.363 549 HG22 VAL 76 1HG2 VAL 76 -5.146 9.290 3.664 550 HG23 VAL 76 2HG2 VAL 76 -4.759 10.730 2.722 551 H GLN 77 H GLN 77 -8.970 7.526 3.521 552 HA GLN 77 HA GLN 77 -11.154 8.262 1.726 553 HB2 GLN 77 1HB GLN 77 -10.584 5.848 2.419 554 HB3 GLN 77 2HB GLN 77 -11.319 6.257 3.963 555 HG2 GLN 77 1HG GLN 77 -13.293 7.058 2.400 556 HG3 GLN 77 2HG GLN 77 -12.569 5.885 1.301 557 HE21 GLN 77 1HE2 GLN 77 -11.699 3.983 3.096 558 HE22 GLN 77 2HE2 GLN 77 -13.065 3.243 3.850 559 H ARG 78 H ARG 78 -10.349 8.256 5.178 560 HA ARG 78 HA ARG 78 -12.380 10.341 5.571 561 HB2 ARG 78 1HB ARG 78 -11.942 7.897 7.289 562 HB3 ARG 78 2HB ARG 78 -12.850 9.304 7.825 563 HG2 ARG 78 1HG ARG 78 -14.554 8.942 6.257 564 HG3 ARG 78 2HG ARG 78 -13.565 7.820 5.320 565 HD2 ARG 78 1HD ARG 78 -13.863 6.095 6.821 566 HD3 ARG 78 2HD ARG 78 -14.206 7.186 8.164 567 HE ARG 78 HE ARG 78 -16.086 6.147 6.240 568 HH11 ARG 78 1HH1 ARG 78 -15.428 8.631 8.589 569 HH12 ARG 78 2HH1 ARG 78 -17.099 9.001 8.858 570 HH21 ARG 78 1HH2 ARG 78 -18.290 6.625 6.587 571 HH22 ARG 78 2HH2 ARG 78 -18.726 7.859 7.720 572 H SER 79 H SER 79 -12.035 11.580 7.599 573 HA SER 79 HA SER 79 -9.502 12.681 7.726 574 HB2 SER 79 1HB SER 79 -11.699 13.616 8.649 575 HB3 SER 79 2HB SER 79 -11.380 12.647 10.087 576 HG SER 79 HG SER 79 -10.473 14.592 10.503 577 H LEU 80 H LEU 80 -7.859 12.612 9.351 578 HA LEU 80 HA LEU 80 -7.666 9.986 10.672 579 HB2 LEU 80 1HB LEU 80 -5.338 11.736 9.944 580 HB3 LEU 80 2HB LEU 80 -5.331 10.025 10.368 581 HG LEU 80 HG LEU 80 -6.722 10.944 7.884 582 HD11 LEU 80 1HD1 LEU 80 -4.836 11.681 6.982 583 HD12 LEU 80 2HD1 LEU 80 -4.178 10.053 7.143 584 HD13 LEU 80 3HD1 LEU 80 -3.914 11.241 8.420 585 HD21 LEU 80 3HD2 LEU 80 -5.761 8.642 7.201 586 HD22 LEU 80 1HD2 LEU 80 -7.146 8.702 8.291 587 HD23 LEU 80 2HD2 LEU 80 -5.531 8.407 8.934 588 H ASP 81 H ASP 81 -6.424 9.933 12.687 589 HA ASP 81 HA ASP 81 -6.597 12.470 14.176 590 HB2 ASP 81 1HB ASP 81 -7.175 9.702 15.253 591 HB3 ASP 81 2HB ASP 81 -7.256 11.207 16.164 592 H ARG 82 H ARG 82 -4.911 12.994 15.491 593 HA ARG 82 HA ARG 82 -2.522 11.326 15.237 594 HB2 ARG 82 1HB ARG 82 -2.732 13.932 14.802 595 HB3 ARG 82 2HB ARG 82 -2.471 14.010 16.539 596 HG2 ARG 82 1HG ARG 82 -0.618 12.343 14.928 597 HG3 ARG 82 2HG ARG 82 -0.473 14.098 14.820 598 HD2 ARG 82 1HD ARG 82 -0.394 12.466 17.356 599 HD3 ARG 82 2HD ARG 82 0.999 13.178 16.543 600 HE ARG 82 HE ARG 82 -0.594 15.310 16.986 601 HH11 ARG 82 1HH1 ARG 82 0.593 12.762 19.040 602 HH12 ARG 82 2HH1 ARG 82 0.611 13.743 20.467 603 HH21 ARG 82 1HH2 ARG 82 -0.574 16.613 18.859 604 HH22 ARG 82 2HH2 ARG 82 -0.054 15.933 20.363 605 H GLU 83 H GLU 83 -4.827 12.442 17.573 606 HA GLU 83 HA GLU 83 -3.242 11.857 19.885 607 HB2 GLU 83 1HB GLU 83 -5.449 12.069 21.086 608 HB3 GLU 83 2HB GLU 83 -4.963 13.477 20.152 609 HG2 GLU 83 1HG GLU 83 -6.493 12.918 18.397 610 HG3 GLU 83 2HG GLU 83 -6.887 11.384 19.171 611 H GLU 84 H GLU 84 -4.832 9.940 17.639 612 HA GLU 84 HA GLU 84 -5.279 7.763 19.557 613 HB2 GLU 84 1HB GLU 84 -7.063 8.512 17.858 614 HB3 GLU 84 2HB GLU 84 -6.058 7.722 16.651 615 HG2 GLU 84 1HG GLU 84 -6.480 5.620 17.471 616 HG3 GLU 84 2HG GLU 84 -6.860 6.210 19.088 617 H THR 85 H THR 85 -4.094 8.043 16.202 618 HA THR 85 HA THR 85 -1.917 6.192 16.909 619 HB THR 85 HB THR 85 -3.596 4.927 15.665 620 HG1 THR 85 1HG THR 85 -1.422 4.408 15.253 621 HG21 THR 85 3HG2 THR 85 -4.381 5.509 13.531 622 HG22 THR 85 1HG2 THR 85 -3.123 6.723 13.302 623 HG23 THR 85 2HG2 THR 85 -4.438 7.019 14.440 624 H ALA 86 H ALA 86 -0.110 7.355 16.772 625 HA ALA 86 HA ALA 86 0.158 9.639 15.077 626 HB1 ALA 86 3HB ALA 86 1.762 8.295 17.126 627 HB2 ALA 86 1HB ALA 86 2.705 9.062 15.848 628 HB3 ALA 86 2HB ALA 86 1.556 10.014 16.789 629 H ILE 87 H ILE 87 1.385 6.318 14.989 630 HA ILE 87 HA ILE 87 2.344 6.819 12.248 631 HB ILE 87 HB ILE 87 3.256 4.680 14.176 632 HG12 ILE 87 1HG1 ILE 87 5.459 6.134 13.698 633 HG13 ILE 87 2HG1 ILE 87 4.252 7.400 13.503 634 HG21 ILE 87 1HG2 ILE 87 4.098 5.358 11.366 635 HG22 ILE 87 2HG2 ILE 87 5.047 4.340 12.449 636 HG23 ILE 87 3HG2 ILE 87 3.429 3.838 11.960 637 HD11 ILE 87 3HD1 ILE 87 3.375 6.835 15.748 638 HD12 ILE 87 1HD1 ILE 87 4.705 5.691 15.934 639 HD13 ILE 87 2HD1 ILE 87 5.041 7.414 15.758 640 H HIS 88 H HIS 88 1.649 5.543 10.603 641 HA HIS 88 HA HIS 88 -0.366 3.503 11.279 642 HB2 HIS 88 1HB HIS 88 -0.223 5.556 9.124 643 HB3 HIS 88 2HB HIS 88 -0.986 4.016 8.740 644 HD1 HIS 88 1HD HIS 88 -2.976 3.335 10.519 645 HD2 HIS 88 2HD HIS 88 -1.899 7.340 10.278 646 HE1 HIS 88 1HE HIS 88 -4.898 4.609 11.521 647 HE2 HIS 88 2HE HIS 88 -4.261 7.035 11.287 648 H LYS 89 H LYS 89 0.404 1.517 11.047 649 HA LYS 89 HA LYS 89 2.444 1.000 9.002 650 HB2 LYS 89 1HB LYS 89 1.580 -0.665 11.374 651 HB3 LYS 89 2HB LYS 89 2.845 -1.109 10.235 652 HG2 LYS 89 1HG LYS 89 2.938 1.414 11.861 653 HG3 LYS 89 2HG LYS 89 3.603 -0.120 12.427 654 HD2 LYS 89 1HD LYS 89 5.020 -0.197 10.390 655 HD3 LYS 89 2HD LYS 89 4.416 1.403 9.952 656 HE2 LYS 89 1HE LYS 89 6.369 1.954 11.026 657 HE3 LYS 89 2HE LYS 89 5.222 2.033 12.362 658 HZ1 LYS 89 3HZ LYS 89 7.514 0.501 12.218 659 HZ2 LYS 89 1HZ LYS 89 6.234 -0.597 12.079 660 HZ3 LYS 89 2HZ LYS 89 6.318 0.439 13.413 661 H VAL 90 H VAL 90 1.666 0.322 7.119 662 HA VAL 90 HA VAL 90 -0.471 -1.702 7.139 663 HB VAL 90 HB VAL 90 -0.239 0.562 5.152 664 HG11 VAL 90 1HG1 VAL 90 -1.660 -0.532 3.833 665 HG12 VAL 90 2HG1 VAL 90 -1.360 -1.959 4.828 666 HG13 VAL 90 3HG1 VAL 90 -2.730 -0.907 5.184 667 HG21 VAL 90 3HG2 VAL 90 -1.277 1.732 6.759 668 HG22 VAL 90 1HG2 VAL 90 -2.695 0.774 6.331 669 HG23 VAL 90 2HG2 VAL 90 -1.677 0.285 7.685 670 H THR 91 H THR 91 0.084 -3.506 6.121 671 HA THR 91 HA THR 91 2.382 -3.434 4.288 672 HB THR 91 HB THR 91 1.198 -5.862 5.644 673 HG1 THR 91 1HG THR 91 2.083 -4.433 7.194 674 HG21 THR 91 3HG2 THR 91 3.923 -6.192 5.040 675 HG22 THR 91 1HG2 THR 91 3.185 -5.489 3.602 676 HG23 THR 91 2HG2 THR 91 2.548 -6.989 4.276 677 H VAL 92 H VAL 92 2.089 -3.796 2.188 678 HA VAL 92 HA VAL 92 -0.539 -4.749 1.290 679 HB VAL 92 HB VAL 92 1.617 -3.363 -0.310 680 HG11 VAL 92 1HG1 VAL 92 0.307 -4.661 -1.789 681 HG12 VAL 92 2HG1 VAL 92 -1.192 -4.216 -0.970 682 HG13 VAL 92 3HG1 VAL 92 -0.308 -3.013 -1.910 683 HG21 VAL 92 3HG2 VAL 92 -0.991 -2.181 0.608 684 HG22 VAL 92 1HG2 VAL 92 0.502 -2.019 1.531 685 HG23 VAL 92 2HG2 VAL 92 0.397 -1.354 -0.099 686 H LEU 93 H LEU 93 -0.781 -6.596 0.165 687 HA LEU 93 HA LEU 93 1.648 -8.167 -0.372 688 HB2 LEU 93 1HB LEU 93 -1.188 -9.085 0.074 689 HB3 LEU 93 2HB LEU 93 0.179 -10.140 -0.277 690 HG LEU 93 HG LEU 93 -0.433 -8.623 2.236 691 HD11 LEU 93 1HD1 LEU 93 0.426 -11.050 2.974 692 HD12 LEU 93 2HD1 LEU 93 -0.211 -11.438 1.376 693 HD13 LEU 93 3HD1 LEU 93 -1.258 -10.695 2.586 694 HD21 LEU 93 3HD2 LEU 93 2.236 -9.693 1.340 695 HD22 LEU 93 1HD2 LEU 93 1.835 -9.345 3.022 696 HD23 LEU 93 2HD2 LEU 93 1.840 -8.045 1.830 697 H ALA 94 H ALA 94 2.053 -8.951 -2.374 698 HA ALA 94 HA ALA 94 0.134 -8.230 -4.492 699 HB1 ALA 94 3HB ALA 94 2.861 -7.597 -4.219 700 HB2 ALA 94 1HB ALA 94 2.744 -8.768 -5.532 701 HB3 ALA 94 2HB ALA 94 1.805 -7.276 -5.594 702 H SER 95 H SER 95 -1.034 -10.050 -4.809 703 HA SER 95 HA SER 95 0.439 -12.563 -5.245 704 HB2 SER 95 1HB SER 95 -1.162 -12.724 -3.415 705 HB3 SER 95 2HB SER 95 -2.453 -12.126 -4.457 706 HG SER 95 HG SER 95 -2.644 -14.043 -5.319 707 H ASP 96 H ASP 96 0.718 -13.032 -7.314 708 HA ASP 96 HA ASP 96 -1.429 -12.347 -9.214 709 HB2 ASP 96 1HB ASP 96 0.454 -12.323 -10.940 710 HB3 ASP 96 2HB ASP 96 0.403 -10.976 -9.806 711 H GLY 97 H GLY 97 -0.115 -14.845 -7.611 712 HA2 GLY 97 1HA GLY 97 -1.009 -17.055 -8.142 713 HA3 GLY 97 2HA GLY 97 -0.669 -16.711 -9.832 714 H SER 98 H SER 98 1.408 -16.170 -7.016 715 HA SER 98 HA SER 98 3.307 -18.113 -8.159 716 HB2 SER 98 1HB SER 98 3.831 -15.525 -8.183 717 HB3 SER 98 2HB SER 98 4.269 -15.817 -6.500 718 HG SER 98 HG SER 98 6.011 -16.800 -7.143 719 H SER 99 H SER 99 5.090 -18.537 -6.332 720 HA SER 99 HA SER 99 3.954 -20.192 -4.447 721 HB2 SER 99 1HB SER 99 6.610 -18.746 -4.283 722 HB3 SER 99 2HB SER 99 6.146 -20.122 -3.282 723 HG SER 99 HG SER 99 6.607 -21.400 -4.879 724 H THR 100 H THR 100 5.631 -17.197 -3.503 725 HA THR 100 HA THR 100 3.534 -16.768 -1.475 726 HB THR 100 HB THR 100 5.458 -15.603 -0.176 727 HG1 THR 100 1HG THR 100 7.498 -16.659 -0.620 728 HG21 THR 100 3HG2 THR 100 5.983 -18.494 -0.109 729 HG22 THR 100 1HG2 THR 100 4.282 -18.049 0.028 730 HG23 THR 100 2HG2 THR 100 5.457 -17.407 1.176 731 HA PRO 101 HA PRO 101 3.011 -12.767 -3.237 732 HB2 PRO 101 1HB PRO 101 1.917 -11.494 -1.103 733 HB3 PRO 101 2HB PRO 101 1.032 -12.678 -2.072 734 HG2 PRO 101 1HG PRO 101 2.413 -13.038 0.559 735 HG3 PRO 101 2HG PRO 101 0.834 -13.648 0.032 736 HD2 PRO 101 1HD PRO 101 3.056 -15.195 0.065 737 HD3 PRO 101 2HD PRO 101 1.762 -15.409 -1.131 738 H ALA 102 H ALA 102 3.598 -10.482 -2.891 739 HA ALA 102 HA ALA 102 6.255 -10.293 -1.736 740 HB1 ALA 102 3HB ALA 102 6.174 -9.307 -3.841 741 HB2 ALA 102 1HB ALA 102 4.621 -8.531 -3.525 742 HB3 ALA 102 2HB ALA 102 6.084 -7.929 -2.744 743 H ARG 103 H ARG 103 6.886 -8.682 -0.234 744 HA ARG 103 HA ARG 103 4.676 -7.723 1.462 745 HB2 ARG 103 1HB ARG 103 7.500 -8.468 2.247 746 HB3 ARG 103 2HB ARG 103 6.294 -7.798 3.338 747 HG2 ARG 103 1HG ARG 103 5.641 -10.280 1.833 748 HG3 ARG 103 2HG ARG 103 6.729 -10.377 3.218 749 HD2 ARG 103 1HD ARG 103 4.897 -9.007 4.435 750 HD3 ARG 103 2HD ARG 103 3.854 -9.552 3.123 751 HE ARG 103 HE ARG 103 3.795 -11.613 4.097 752 HH11 ARG 103 1HH1 ARG 103 6.546 -9.874 5.331 753 HH12 ARG 103 2HH1 ARG 103 6.957 -11.089 6.496 754 HH21 ARG 103 1HH2 ARG 103 4.325 -13.221 5.626 755 HH22 ARG 103 2HH2 ARG 103 5.693 -12.993 6.662 756 H ALA 104 H ALA 104 4.554 -5.603 1.941 757 HA ALA 104 HA ALA 104 6.846 -3.862 1.542 758 HB1 ALA 104 3HB ALA 104 6.244 -3.164 -0.478 759 HB2 ALA 104 1HB ALA 104 4.756 -4.109 -0.418 760 HB3 ALA 104 2HB ALA 104 4.792 -2.475 0.247 761 H THR 105 H THR 105 6.924 -2.671 3.320 762 HA THR 105 HA THR 105 4.425 -2.004 4.709 763 HB THR 105 HB THR 105 7.286 -1.968 5.686 764 HG1 THR 105 1HG THR 105 6.371 -3.630 7.097 765 HG21 THR 105 3HG2 THR 105 5.136 -0.417 6.602 766 HG22 THR 105 1HG2 THR 105 6.674 -0.700 7.415 767 HG23 THR 105 2HG2 THR 105 5.294 -1.745 7.753 768 H VAL 106 H VAL 106 3.675 0.014 4.728 769 HA VAL 106 HA VAL 106 5.434 2.158 3.737 770 HB VAL 106 HB VAL 106 2.417 1.990 3.701 771 HG11 VAL 106 1HG1 VAL 106 2.371 4.102 2.650 772 HG12 VAL 106 2HG1 VAL 106 3.430 4.288 4.049 773 HG13 VAL 106 3HG1 VAL 106 4.121 4.119 2.434 774 HG21 VAL 106 3HG2 VAL 106 2.898 2.117 1.176 775 HG22 VAL 106 1HG2 VAL 106 4.535 1.626 1.611 776 HG23 VAL 106 2HG2 VAL 106 3.169 0.581 2.000 777 H THR 107 H THR 107 6.322 3.050 5.523 778 HA THR 107 HA THR 107 4.879 3.412 7.969 779 HB THR 107 HB THR 107 7.452 4.805 7.244 780 HG1 THR 107 1HG THR 107 7.016 2.114 8.056 781 HG21 THR 107 3HG2 THR 107 7.607 3.978 9.844 782 HG22 THR 107 1HG2 THR 107 5.890 4.344 9.683 783 HG23 THR 107 2HG2 THR 107 7.093 5.583 9.324 784 H ILE 108 H ILE 108 3.186 4.780 7.896 785 HA ILE 108 HA ILE 108 3.529 7.389 6.599 786 HB ILE 108 HB ILE 108 1.007 6.076 7.620 787 HG12 ILE 108 1HG1 ILE 108 1.651 6.591 4.736 788 HG13 ILE 108 2HG1 ILE 108 2.276 5.150 5.530 789 HG21 ILE 108 1HG2 ILE 108 0.908 8.518 7.693 790 HG22 ILE 108 2HG2 ILE 108 1.375 8.589 5.995 791 HG23 ILE 108 3HG2 ILE 108 -0.167 7.868 6.455 792 HD11 ILE 108 3HD1 ILE 108 -0.346 5.678 4.485 793 HD12 ILE 108 1HD1 ILE 108 0.366 4.158 5.026 794 HD13 ILE 108 2HD1 ILE 108 -0.426 5.224 6.187 795 H ASN 109 H ASN 109 4.252 8.944 7.890 796 HA ASN 109 HA ASN 109 3.694 8.863 10.747 797 HB2 ASN 109 1HB ASN 109 5.583 10.399 9.002 798 HB3 ASN 109 2HB ASN 109 5.185 11.024 10.599 799 HD21 ASN 109 1HD2 ASN 109 6.933 8.695 8.809 800 HD22 ASN 109 2HD2 ASN 109 7.715 7.925 10.143 801 H VAL 110 H VAL 110 2.399 10.261 11.824 802 HA VAL 110 HA VAL 110 0.789 12.089 10.184 803 HB VAL 110 HB VAL 110 0.222 11.071 12.972 804 HG11 VAL 110 1HG1 VAL 110 -1.192 12.806 12.980 805 HG12 VAL 110 2HG1 VAL 110 -1.036 13.061 11.241 806 HG13 VAL 110 3HG1 VAL 110 -2.154 11.844 11.858 807 HG21 VAL 110 3HG2 VAL 110 -1.025 10.196 10.370 808 HG22 VAL 110 1HG2 VAL 110 0.224 9.296 11.230 809 HG23 VAL 110 2HG2 VAL 110 -1.353 9.551 11.978 810 H THR 111 H THR 111 1.328 14.159 10.238 811 HA THR 111 HA THR 111 2.752 15.213 12.576 812 HB THR 111 HB THR 111 3.700 16.838 11.235 813 HG1 THR 111 1HG THR 111 1.935 16.511 9.074 814 HG21 THR 111 3HG2 THR 111 4.608 15.771 9.335 815 HG22 THR 111 1HG2 THR 111 3.173 14.771 9.111 816 HG23 THR 111 2HG2 THR 111 4.254 14.472 10.473 817 H ASP 112 H ASP 112 2.255 17.593 13.040 818 HA ASP 112 HA ASP 112 -0.570 17.787 13.603 819 HB2 ASP 112 1HB ASP 112 1.386 18.469 15.150 820 HB3 ASP 112 2HB ASP 112 1.454 19.936 14.178 821 H VAL 113 H VAL 113 -1.759 19.831 13.198 822 HA VAL 113 HA VAL 113 -1.028 20.976 10.581 823 HB VAL 113 HB VAL 113 -3.461 21.288 10.177 824 HG11 VAL 113 1HG1 VAL 113 -3.632 18.479 10.420 825 HG12 VAL 113 2HG1 VAL 113 -3.218 19.428 8.991 826 HG13 VAL 113 3HG1 VAL 113 -1.947 18.874 10.081 827 HG21 VAL 113 3HG2 VAL 113 -4.198 21.253 12.513 828 HG22 VAL 113 1HG2 VAL 113 -5.070 20.066 11.543 829 HG23 VAL 113 2HG2 VAL 113 -3.775 19.545 12.621 830 H ASN 114 H ASN 114 -2.134 21.556 13.821 831 HA ASN 114 HA ASN 114 -3.161 24.095 13.723 832 HB2 ASN 114 1HB ASN 114 -1.324 22.879 15.794 833 HB3 ASN 114 2HB ASN 114 -2.186 24.398 16.022 834 HD21 ASN 114 1HD2 ASN 114 -2.270 21.197 16.660 835 HD22 ASN 114 2HD2 ASN 114 -3.968 20.985 16.895 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -5.358 -26.012 -19.762 2 HA2 GLY 1 1HA GLY 1 -6.635 -27.619 -18.447 3 HA3 GLY 1 2HA GLY 1 -5.614 -27.211 -17.076 4 H SER 2 H SER 2 -8.628 -26.892 -18.164 5 HA SER 2 HA SER 2 -10.334 -25.377 -17.927 6 HB2 SER 2 1HB SER 2 -8.832 -25.049 -15.321 7 HB3 SER 2 2HB SER 2 -10.463 -24.441 -15.607 8 HG SER 2 HG SER 2 -11.235 -26.426 -15.534 9 H SER 3 H SER 3 -8.314 -24.293 -19.487 10 HA SER 3 HA SER 3 -7.336 -22.340 -20.184 11 HB2 SER 3 1HB SER 3 -8.892 -20.526 -20.428 12 HB3 SER 3 2HB SER 3 -9.803 -22.027 -20.599 13 HG SER 3 HG SER 3 -10.452 -20.134 -19.043 14 H GLY 4 H GLY 4 -6.375 -23.055 -17.678 15 HA2 GLY 4 1HA GLY 4 -5.687 -20.416 -16.636 16 HA3 GLY 4 2HA GLY 4 -6.423 -21.543 -15.506 17 H SER 5 H SER 5 -4.009 -22.006 -18.079 18 HA SER 5 HA SER 5 -2.336 -23.438 -16.153 19 HB2 SER 5 1HB SER 5 -2.852 -24.566 -18.283 20 HB3 SER 5 2HB SER 5 -2.100 -23.237 -19.166 21 HG SER 5 HG SER 5 -0.878 -25.130 -17.457 22 H SER 6 H SER 6 -0.048 -23.039 -16.050 23 HA SER 6 HA SER 6 1.088 -20.693 -17.227 24 HB2 SER 6 1HB SER 6 -0.392 -19.874 -15.266 25 HB3 SER 6 2HB SER 6 0.853 -20.569 -14.228 26 HG SER 6 HG SER 6 1.093 -18.279 -14.828 27 H GLY 7 H GLY 7 3.326 -20.275 -16.316 28 HA2 GLY 7 1HA GLY 7 4.502 -22.778 -15.282 29 HA3 GLY 7 2HA GLY 7 5.217 -21.931 -16.646 30 H ASN 8 H ASN 8 5.927 -19.676 -16.239 31 HA ASN 8 HA ASN 8 6.697 -19.228 -13.438 32 HB2 ASN 8 1HB ASN 8 8.940 -18.910 -13.925 33 HB3 ASN 8 2HB ASN 8 8.530 -20.222 -15.027 34 HD21 ASN 8 1HD2 ASN 8 8.873 -19.949 -17.130 35 HD22 ASN 8 2HD2 ASN 8 9.322 -18.460 -17.883 36 H ASP 9 H ASP 9 7.571 -16.952 -13.137 37 HA ASP 9 HA ASP 9 6.963 -14.902 -14.970 38 HB2 ASP 9 1HB ASP 9 4.809 -15.701 -13.074 39 HB3 ASP 9 2HB ASP 9 5.064 -13.979 -13.341 40 H ASN 10 H ASN 10 8.384 -13.392 -14.445 41 HA ASN 10 HA ASN 10 9.956 -13.288 -12.216 42 HB2 ASN 10 1HB ASN 10 9.008 -10.960 -13.900 43 HB3 ASN 10 2HB ASN 10 10.356 -10.891 -12.768 44 HD21 ASN 10 1HD2 ASN 10 11.420 -10.204 -14.814 45 HD22 ASN 10 2HD2 ASN 10 12.109 -11.439 -15.807 46 H ARG 11 H ARG 11 9.014 -13.537 -10.242 47 HA ARG 11 HA ARG 11 6.705 -12.649 -9.199 48 HB2 ARG 11 1HB ARG 11 7.841 -12.479 -6.992 49 HB3 ARG 11 2HB ARG 11 8.237 -13.950 -7.871 50 HG2 ARG 11 1HG ARG 11 10.029 -11.591 -8.146 51 HG3 ARG 11 2HG ARG 11 10.093 -12.550 -6.666 52 HD2 ARG 11 1HD ARG 11 10.203 -14.556 -8.363 53 HD3 ARG 11 2HD ARG 11 10.796 -13.310 -9.460 54 HE ARG 11 HE ARG 11 12.361 -12.934 -7.327 55 HH11 ARG 11 1HH1 ARG 11 11.457 -15.830 -9.036 56 HH12 ARG 11 2HH1 ARG 11 12.938 -16.657 -8.683 57 HH21 ARG 11 1HH2 ARG 11 14.314 -14.012 -6.855 58 HH22 ARG 11 2HH2 ARG 11 14.562 -15.622 -7.441 59 HA PRO 12 HA PRO 12 6.571 -8.258 -9.223 60 HB2 PRO 12 1HB PRO 12 4.982 -7.807 -7.068 61 HB3 PRO 12 2HB PRO 12 4.370 -8.456 -8.594 62 HG2 PRO 12 1HG PRO 12 5.084 -9.902 -6.072 63 HG3 PRO 12 2HG PRO 12 3.685 -10.133 -7.136 64 HD2 PRO 12 1HD PRO 12 5.853 -11.753 -7.207 65 HD3 PRO 12 2HD PRO 12 4.886 -11.389 -8.650 66 H VAL 13 H VAL 13 8.283 -7.054 -8.702 67 HA VAL 13 HA VAL 13 9.398 -7.238 -5.992 68 HB VAL 13 HB VAL 13 10.605 -6.029 -8.485 69 HG11 VAL 13 1HG1 VAL 13 12.506 -6.617 -6.443 70 HG12 VAL 13 2HG1 VAL 13 12.116 -5.061 -7.179 71 HG13 VAL 13 3HG1 VAL 13 11.228 -5.614 -5.759 72 HG21 VAL 13 3HG2 VAL 13 10.675 -8.727 -7.294 73 HG22 VAL 13 1HG2 VAL 13 10.880 -8.218 -8.970 74 HG23 VAL 13 2HG2 VAL 13 12.223 -8.079 -7.836 75 H PHE 14 H PHE 14 9.038 -5.664 -4.582 76 HA PHE 14 HA PHE 14 7.821 -3.178 -5.506 77 HB2 PHE 14 1HB PHE 14 8.043 -4.544 -2.843 78 HB3 PHE 14 2HB PHE 14 7.646 -2.831 -2.926 79 HD1 PHE 14 1HD PHE 14 5.889 -2.630 -5.203 80 HD2 PHE 14 2HD PHE 14 6.135 -5.679 -2.243 81 HE1 PHE 14 1HE PHE 14 3.527 -3.195 -5.595 82 HE2 PHE 14 2HE PHE 14 3.773 -6.250 -2.631 83 HZ PHE 14 HZ PHE 14 2.466 -5.008 -4.309 84 H LYS 15 H LYS 15 9.150 -1.577 -6.022 85 HA LYS 15 HA LYS 15 11.847 -1.404 -5.216 86 HB2 LYS 15 1HB LYS 15 10.779 -0.361 -7.270 87 HB3 LYS 15 2HB LYS 15 10.155 0.892 -6.205 88 HG2 LYS 15 1HG LYS 15 12.075 1.860 -7.020 89 HG3 LYS 15 2HG LYS 15 12.635 1.168 -5.495 90 HD2 LYS 15 1HD LYS 15 13.378 -0.847 -6.789 91 HD3 LYS 15 2HD LYS 15 12.998 0.039 -8.268 92 HE2 LYS 15 1HE LYS 15 14.964 0.907 -6.151 93 HE3 LYS 15 2HE LYS 15 15.381 0.176 -7.700 94 HZ1 LYS 15 3HZ LYS 15 13.719 2.333 -8.241 95 HZ2 LYS 15 1HZ LYS 15 15.373 2.196 -8.570 96 HZ3 LYS 15 2HZ LYS 15 14.854 2.882 -7.113 97 H GLU 16 H GLU 16 12.826 -0.419 -3.541 98 HA GLU 16 HA GLU 16 12.907 0.256 -1.330 99 HB2 GLU 16 1HB GLU 16 12.310 2.694 -1.162 100 HB3 GLU 16 2HB GLU 16 13.404 2.287 -2.476 101 HG2 GLU 16 1HG GLU 16 11.397 2.244 -3.989 102 HG3 GLU 16 2HG GLU 16 10.474 2.926 -2.652 103 H GLY 17 H GLY 17 10.912 -1.460 -1.284 104 HA2 GLY 17 1HA GLY 17 8.318 -0.766 -0.821 105 HA3 GLY 17 2HA GLY 17 9.138 -2.037 0.073 106 H GLN 18 H GLN 18 10.932 -0.634 1.588 107 HA GLN 18 HA GLN 18 9.193 0.489 3.587 108 HB2 GLN 18 1HB GLN 18 12.206 0.250 3.580 109 HB3 GLN 18 2HB GLN 18 11.197 0.608 4.975 110 HG2 GLN 18 1HG GLN 18 11.617 -1.628 5.258 111 HG3 GLN 18 2HG GLN 18 10.068 -1.658 4.418 112 HE21 GLN 18 1HE2 GLN 18 10.732 -3.861 3.906 113 HE22 GLN 18 2HE2 GLN 18 11.740 -4.131 2.530 114 H VAL 19 H VAL 19 8.629 2.549 3.700 115 HA VAL 19 HA VAL 19 10.561 4.635 3.089 116 HB VAL 19 HB VAL 19 7.923 4.415 1.637 117 HG11 VAL 19 1HG1 VAL 19 8.691 6.588 0.573 118 HG12 VAL 19 2HG1 VAL 19 8.101 6.690 2.233 119 HG13 VAL 19 3HG1 VAL 19 9.835 6.719 1.909 120 HG21 VAL 19 3HG2 VAL 19 10.686 4.713 0.483 121 HG22 VAL 19 1HG2 VAL 19 9.929 3.146 0.771 122 HG23 VAL 19 2HG2 VAL 19 9.195 4.287 -0.356 123 H GLU 20 H GLU 20 9.879 6.753 3.827 124 HA GLU 20 HA GLU 20 7.732 6.636 5.841 125 HB2 GLU 20 1HB GLU 20 10.253 6.692 6.604 126 HB3 GLU 20 2HB GLU 20 10.110 8.405 6.235 127 HG2 GLU 20 1HG GLU 20 8.184 8.535 7.778 128 HG3 GLU 20 2HG GLU 20 8.451 6.846 8.202 129 H VAL 21 H VAL 21 6.125 7.861 5.106 130 HA VAL 21 HA VAL 21 6.748 10.314 3.623 131 HB VAL 21 HB VAL 21 4.341 10.314 3.013 132 HG11 VAL 21 1HG1 VAL 21 6.376 8.495 2.156 133 HG12 VAL 21 2HG1 VAL 21 4.794 7.729 1.995 134 HG13 VAL 21 3HG1 VAL 21 5.111 9.276 1.208 135 HG21 VAL 21 3HG2 VAL 21 3.875 8.816 5.145 136 HG22 VAL 21 1HG2 VAL 21 2.837 8.749 3.721 137 HG23 VAL 21 2HG2 VAL 21 4.069 7.513 3.972 138 H HIS 22 H HIS 22 5.348 12.216 4.046 139 HA HIS 22 HA HIS 22 4.599 12.413 6.888 140 HB2 HIS 22 1HB HIS 22 6.079 14.440 5.205 141 HB3 HIS 22 2HB HIS 22 5.386 14.799 6.783 142 HD1 HIS 22 1HD HIS 22 7.959 12.474 5.238 143 HD2 HIS 22 2HD HIS 22 7.037 14.261 8.874 144 HE1 HIS 22 1HE HIS 22 9.874 11.912 6.768 145 HE2 HIS 22 2HE HIS 22 9.254 12.932 8.986 146 H ILE 23 H ILE 23 2.441 12.500 6.872 147 HA ILE 23 HA ILE 23 1.166 14.484 5.109 148 HB ILE 23 HB ILE 23 0.750 12.123 4.353 149 HG12 ILE 23 1HG1 ILE 23 -1.612 13.777 5.267 150 HG13 ILE 23 2HG1 ILE 23 -0.776 13.900 3.723 151 HG21 ILE 23 1HG2 ILE 23 -0.500 10.615 5.614 152 HG22 ILE 23 2HG2 ILE 23 0.611 11.315 6.790 153 HG23 ILE 23 3HG2 ILE 23 -1.064 11.864 6.725 154 HD11 ILE 23 3HD1 ILE 23 -2.278 12.505 2.899 155 HD12 ILE 23 1HD1 ILE 23 -1.576 11.240 3.907 156 HD13 ILE 23 2HD1 ILE 23 -2.941 12.185 4.502 157 HA PRO 24 HA PRO 24 -0.454 16.093 8.890 158 HB2 PRO 24 1HB PRO 24 -2.374 17.685 7.819 159 HB3 PRO 24 2HB PRO 24 -0.654 18.087 7.767 160 HG2 PRO 24 1HG PRO 24 -2.381 16.869 5.646 161 HG3 PRO 24 2HG PRO 24 -1.153 18.140 5.496 162 HD2 PRO 24 1HD PRO 24 -0.669 15.560 4.832 163 HD3 PRO 24 2HD PRO 24 0.589 16.630 5.485 164 H GLU 25 H GLU 25 -2.121 15.690 10.289 165 HA GLU 25 HA GLU 25 -3.797 13.492 9.813 166 HB2 GLU 25 1HB GLU 25 -4.917 14.160 11.937 167 HB3 GLU 25 2HB GLU 25 -3.167 14.056 12.062 168 HG2 GLU 25 1HG GLU 25 -2.969 16.452 11.947 169 HG3 GLU 25 2HG GLU 25 -4.702 16.614 11.672 170 H ASN 26 H ASN 26 -4.255 16.910 9.326 171 HA ASN 26 HA ASN 26 -7.108 16.580 8.825 172 HB2 ASN 26 1HB ASN 26 -6.397 18.551 10.086 173 HB3 ASN 26 2HB ASN 26 -5.358 19.047 8.753 174 HD21 ASN 26 1HD2 ASN 26 -6.420 21.009 8.537 175 HD22 ASN 26 2HD2 ASN 26 -8.000 21.129 7.849 176 H ALA 27 H ALA 27 -4.689 15.646 7.107 177 HA ALA 27 HA ALA 27 -4.539 16.969 4.706 178 HB1 ALA 27 3HB ALA 27 -3.133 15.075 5.184 179 HB2 ALA 27 1HB ALA 27 -4.526 13.993 5.191 180 HB3 ALA 27 2HB ALA 27 -4.019 14.770 3.690 181 HA PRO 28 HA PRO 28 -8.547 16.761 2.891 182 HB2 PRO 28 1HB PRO 28 -7.849 17.103 0.289 183 HB3 PRO 28 2HB PRO 28 -7.822 18.417 1.472 184 HG2 PRO 28 1HG PRO 28 -5.563 16.737 0.454 185 HG3 PRO 28 2HG PRO 28 -5.617 18.487 0.737 186 HD2 PRO 28 1HD PRO 28 -4.469 16.763 2.482 187 HD3 PRO 28 2HD PRO 28 -5.273 18.257 3.005 188 H VAL 29 H VAL 29 -9.858 15.169 2.211 189 HA VAL 29 HA VAL 29 -8.925 12.555 1.804 190 HB VAL 29 HB VAL 29 -11.593 13.845 1.287 191 HG11 VAL 29 1HG1 VAL 29 -10.621 11.181 0.452 192 HG12 VAL 29 2HG1 VAL 29 -12.215 11.242 1.208 193 HG13 VAL 29 3HG1 VAL 29 -11.886 12.196 -0.238 194 HG21 VAL 29 3HG2 VAL 29 -10.718 13.400 3.627 195 HG22 VAL 29 1HG2 VAL 29 -12.296 12.716 3.237 196 HG23 VAL 29 2HG2 VAL 29 -10.867 11.683 3.250 197 H GLY 30 H GLY 30 -8.588 11.321 0.001 198 HA2 GLY 30 1HA GLY 30 -8.726 10.839 -2.323 199 HA3 GLY 30 2HA GLY 30 -9.044 12.541 -2.628 200 H THR 31 H THR 31 -6.598 12.480 -0.448 201 HA THR 31 HA THR 31 -4.644 13.189 -2.434 202 HB THR 31 HB THR 31 -4.257 12.881 0.549 203 HG1 THR 31 1HG THR 31 -5.900 14.449 -0.168 204 HG21 THR 31 3HG2 THR 31 -2.527 13.696 -1.668 205 HG22 THR 31 1HG2 THR 31 -2.107 13.167 -0.040 206 HG23 THR 31 2HG2 THR 31 -2.566 14.845 -0.331 207 H SER 32 H SER 32 -2.811 12.095 -3.018 208 HA SER 32 HA SER 32 -2.859 9.245 -2.699 209 HB2 SER 32 1HB SER 32 -0.800 9.314 -4.112 210 HB3 SER 32 2HB SER 32 -2.166 10.170 -4.827 211 HG SER 32 HG SER 32 0.224 11.123 -4.374 212 H VAL 33 H VAL 33 -2.227 8.357 -0.844 213 HA VAL 33 HA VAL 33 -0.279 9.598 0.871 214 HB VAL 33 HB VAL 33 -1.448 6.827 1.127 215 HG11 VAL 33 1HG1 VAL 33 0.275 8.531 2.790 216 HG12 VAL 33 2HG1 VAL 33 -1.065 7.760 3.641 217 HG13 VAL 33 3HG1 VAL 33 0.103 6.776 2.757 218 HG21 VAL 33 3HG2 VAL 33 -2.756 9.365 1.304 219 HG22 VAL 33 1HG2 VAL 33 -3.426 7.750 1.535 220 HG23 VAL 33 2HG2 VAL 33 -2.715 8.614 2.899 221 H ILE 34 H ILE 34 -0.384 6.270 -0.403 222 HA ILE 34 HA ILE 34 2.465 6.494 -1.073 223 HB ILE 34 HB ILE 34 2.538 5.401 1.035 224 HG12 ILE 34 1HG1 ILE 34 3.298 3.089 0.404 225 HG13 ILE 34 2HG1 ILE 34 2.687 3.390 -1.219 226 HG21 ILE 34 1HG2 ILE 34 0.203 4.815 1.261 227 HG22 ILE 34 2HG2 ILE 34 0.361 3.590 0.003 228 HG23 ILE 34 3HG2 ILE 34 1.204 3.390 1.539 229 HD11 ILE 34 3HD1 ILE 34 4.565 4.408 -1.776 230 HD12 ILE 34 1HD1 ILE 34 4.407 5.532 -0.427 231 HD13 ILE 34 2HD1 ILE 34 5.222 3.984 -0.196 232 H GLN 35 H GLN 35 3.160 5.214 -2.781 233 HA GLN 35 HA GLN 35 1.072 3.699 -4.198 234 HB2 GLN 35 1HB GLN 35 1.379 5.848 -5.316 235 HB3 GLN 35 2HB GLN 35 3.111 5.563 -5.425 236 HG2 GLN 35 1HG GLN 35 2.425 4.995 -7.532 237 HG3 GLN 35 2HG GLN 35 2.402 3.427 -6.727 238 HE21 GLN 35 1HE2 GLN 35 0.673 2.262 -7.114 239 HE22 GLN 35 2HE2 GLN 35 -0.903 2.862 -7.493 240 H LEU 36 H LEU 36 1.627 1.681 -4.689 241 HA LEU 36 HA LEU 36 4.435 0.898 -4.379 242 HB2 LEU 36 1HB LEU 36 1.830 -0.542 -4.161 243 HB3 LEU 36 2HB LEU 36 3.297 -1.451 -4.517 244 HG LEU 36 HG LEU 36 3.035 0.332 -2.107 245 HD11 LEU 36 1HD1 LEU 36 1.377 -1.178 -1.613 246 HD12 LEU 36 2HD1 LEU 36 2.794 -2.009 -0.973 247 HD13 LEU 36 3HD1 LEU 36 2.131 -2.477 -2.538 248 HD21 LEU 36 3HD2 LEU 36 4.909 -0.940 -1.282 249 HD22 LEU 36 1HD2 LEU 36 5.305 -0.289 -2.872 250 HD23 LEU 36 2HD2 LEU 36 4.868 -1.989 -2.700 251 H HIS 37 H HIS 37 5.522 -0.301 -5.941 252 HA HIS 37 HA HIS 37 4.286 -0.251 -8.615 253 HB2 HIS 37 1HB HIS 37 6.267 1.245 -8.291 254 HB3 HIS 37 2HB HIS 37 7.238 -0.187 -7.964 255 HD1 HIS 37 1HD HIS 37 8.732 0.167 -10.018 256 HD2 HIS 37 2HD HIS 37 4.698 -0.222 -10.930 257 HE1 HIS 37 1HE HIS 37 8.633 -0.144 -12.512 258 HE2 HIS 37 2HE HIS 37 6.177 -0.291 -13.051 259 H ALA 38 H ALA 38 3.628 -2.214 -9.184 260 HA ALA 38 HA ALA 38 5.390 -4.502 -8.588 261 HB1 ALA 38 3HB ALA 38 3.655 -5.804 -7.915 262 HB2 ALA 38 1HB ALA 38 3.005 -4.234 -7.444 263 HB3 ALA 38 2HB ALA 38 2.489 -4.985 -8.954 264 H THR 39 H THR 39 6.338 -5.087 -10.428 265 HA THR 39 HA THR 39 4.656 -5.465 -12.803 266 HB THR 39 HB THR 39 6.525 -4.634 -14.239 267 HG1 THR 39 1HG THR 39 8.020 -3.189 -13.050 268 HG21 THR 39 3HG2 THR 39 5.813 -2.435 -14.177 269 HG22 THR 39 1HG2 THR 39 5.739 -2.397 -12.416 270 HG23 THR 39 2HG2 THR 39 4.499 -3.253 -13.332 271 H ASP 40 H ASP 40 4.898 -7.418 -13.671 272 HA ASP 40 HA ASP 40 7.241 -9.010 -12.876 273 HB2 ASP 40 1HB ASP 40 5.921 -10.966 -13.108 274 HB3 ASP 40 2HB ASP 40 4.904 -9.804 -12.260 275 H ALA 41 H ALA 41 5.201 -8.130 -15.623 276 HA ALA 41 HA ALA 41 7.436 -8.783 -17.406 277 HB1 ALA 41 3HB ALA 41 4.594 -9.714 -17.757 278 HB2 ALA 41 1HB ALA 41 5.794 -9.724 -19.050 279 HB3 ALA 41 2HB ALA 41 6.045 -10.704 -17.605 280 H ASP 42 H ASP 42 7.569 -7.526 -19.269 281 HA ASP 42 HA ASP 42 5.979 -5.066 -19.174 282 HB2 ASP 42 1HB ASP 42 8.422 -4.810 -19.129 283 HB3 ASP 42 2HB ASP 42 8.545 -5.675 -20.658 284 H ILE 43 H ILE 43 7.176 -7.446 -21.535 285 HA ILE 43 HA ILE 43 5.583 -6.439 -23.672 286 HB ILE 43 HB ILE 43 7.640 -7.699 -24.098 287 HG12 ILE 43 1HG1 ILE 43 6.605 -9.389 -25.747 288 HG13 ILE 43 2HG1 ILE 43 5.050 -8.805 -25.165 289 HG21 ILE 43 1HG2 ILE 43 8.019 -9.862 -23.464 290 HG22 ILE 43 2HG2 ILE 43 6.996 -9.331 -22.130 291 HG23 ILE 43 3HG2 ILE 43 6.305 -10.275 -23.449 292 HD11 ILE 43 3HD1 ILE 43 5.978 -7.763 -27.284 293 HD12 ILE 43 1HD1 ILE 43 5.407 -6.664 -26.029 294 HD13 ILE 43 2HD1 ILE 43 7.136 -6.943 -26.237 295 H GLY 44 H GLY 44 3.442 -6.571 -23.749 296 HA2 GLY 44 1HA GLY 44 1.493 -7.920 -24.095 297 HA3 GLY 44 2HA GLY 44 2.177 -9.123 -23.011 298 H SER 45 H SER 45 2.685 -8.022 -20.732 299 HA SER 45 HA SER 45 1.817 -7.208 -18.792 300 HB2 SER 45 1HB SER 45 0.207 -5.402 -20.614 301 HB3 SER 45 2HB SER 45 0.441 -5.179 -18.880 302 HG SER 45 HG SER 45 2.272 -4.861 -20.984 303 H ASN 46 H ASN 46 0.743 -9.554 -19.687 304 HA ASN 46 HA ASN 46 -2.157 -9.320 -19.360 305 HB2 ASN 46 1HB ASN 46 -0.349 -11.503 -20.364 306 HB3 ASN 46 2HB ASN 46 -2.005 -11.857 -19.879 307 HD21 ASN 46 1HD2 ASN 46 -2.832 -12.337 -21.840 308 HD22 ASN 46 2HD2 ASN 46 -2.952 -11.210 -23.144 309 H ALA 47 H ALA 47 -0.549 -8.794 -17.098 310 HA ALA 47 HA ALA 47 -1.347 -11.041 -15.372 311 HB1 ALA 47 3HB ALA 47 0.651 -10.666 -13.996 312 HB2 ALA 47 1HB ALA 47 1.062 -11.138 -15.645 313 HB3 ALA 47 2HB ALA 47 1.206 -9.452 -15.148 314 H GLU 48 H GLU 48 -3.122 -10.170 -14.438 315 HA GLU 48 HA GLU 48 -3.056 -7.425 -13.466 316 HB2 GLU 48 1HB GLU 48 -5.237 -9.496 -13.659 317 HB3 GLU 48 2HB GLU 48 -5.463 -7.969 -12.817 318 HG2 GLU 48 1HG GLU 48 -6.338 -7.589 -14.934 319 HG3 GLU 48 2HG GLU 48 -4.734 -6.859 -14.994 320 H ILE 49 H ILE 49 -1.674 -7.486 -11.714 321 HA ILE 49 HA ILE 49 -2.014 -9.428 -9.611 322 HB ILE 49 HB ILE 49 -0.301 -6.943 -9.731 323 HG12 ILE 49 1HG1 ILE 49 0.545 -9.836 -9.921 324 HG13 ILE 49 2HG1 ILE 49 0.201 -8.845 -11.335 325 HG21 ILE 49 1HG2 ILE 49 -0.598 -7.328 -7.451 326 HG22 ILE 49 2HG2 ILE 49 -0.598 -9.079 -7.651 327 HG23 ILE 49 3HG2 ILE 49 0.904 -8.172 -7.825 328 HD11 ILE 49 3HD1 ILE 49 2.041 -7.525 -9.548 329 HD12 ILE 49 1HD1 ILE 49 2.630 -9.114 -10.036 330 HD13 ILE 49 2HD1 ILE 49 2.209 -7.916 -11.260 331 H ARG 50 H ARG 50 -3.443 -9.287 -8.023 332 HA ARG 50 HA ARG 50 -4.665 -6.681 -7.443 333 HB2 ARG 50 1HB ARG 50 -5.597 -9.502 -7.273 334 HB3 ARG 50 2HB ARG 50 -6.237 -8.365 -6.093 335 HG2 ARG 50 1HG ARG 50 -7.710 -8.560 -8.013 336 HG3 ARG 50 2HG ARG 50 -7.038 -6.932 -7.895 337 HD2 ARG 50 1HD ARG 50 -6.925 -7.542 -10.180 338 HD3 ARG 50 2HD ARG 50 -5.283 -7.660 -9.548 339 HE ARG 50 HE ARG 50 -5.315 -9.874 -10.073 340 HH11 ARG 50 1HH1 ARG 50 -8.602 -8.771 -9.758 341 HH12 ARG 50 2HH1 ARG 50 -9.293 -10.282 -10.247 342 HH21 ARG 50 1HH2 ARG 50 -6.214 -11.869 -10.718 343 HH22 ARG 50 2HH2 ARG 50 -7.934 -12.044 -10.792 344 H TYR 51 H TYR 51 -3.935 -5.628 -5.729 345 HA TYR 51 HA TYR 51 -2.353 -6.951 -3.718 346 HB2 TYR 51 1HB TYR 51 -3.296 -4.116 -3.475 347 HB3 TYR 51 2HB TYR 51 -1.766 -4.826 -2.972 348 HD1 TYR 51 1HD TYR 51 -3.713 -3.727 -5.925 349 HD2 TYR 51 2HD TYR 51 0.110 -4.821 -4.410 350 HE1 TYR 51 1HE TYR 51 -2.668 -2.932 -8.005 351 HE2 TYR 51 2HE TYR 51 1.166 -4.028 -6.485 352 HH TYR 51 HH TYR 51 0.227 -2.095 -8.405 353 H ILE 52 H ILE 52 -2.785 -6.744 -1.410 354 HA ILE 52 HA ILE 52 -5.521 -6.246 -0.595 355 HB ILE 52 HB ILE 52 -5.761 -8.460 0.503 356 HG12 ILE 52 1HG1 ILE 52 -3.588 -9.484 -1.297 357 HG13 ILE 52 2HG1 ILE 52 -3.189 -8.853 0.297 358 HG21 ILE 52 1HG2 ILE 52 -6.748 -7.880 -1.734 359 HG22 ILE 52 2HG2 ILE 52 -5.397 -8.741 -2.471 360 HG23 ILE 52 3HG2 ILE 52 -6.531 -9.604 -1.432 361 HD11 ILE 52 3HD1 ILE 52 -4.994 -11.172 -0.336 362 HD12 ILE 52 1HD1 ILE 52 -3.408 -11.226 0.433 363 HD13 ILE 52 2HD1 ILE 52 -4.772 -10.490 1.275 364 H PHE 53 H PHE 53 -5.727 -6.803 1.850 365 HA PHE 53 HA PHE 53 -3.643 -5.365 3.189 366 HB2 PHE 53 1HB PHE 53 -6.174 -6.696 4.152 367 HB3 PHE 53 2HB PHE 53 -5.053 -5.888 5.243 368 HD1 PHE 53 2HD PHE 53 -4.498 -3.429 4.726 369 HD2 PHE 53 1HD PHE 53 -7.846 -5.493 3.098 370 HE1 PHE 53 2HE PHE 53 -5.593 -1.276 4.256 371 HE2 PHE 53 1HE PHE 53 -8.946 -3.344 2.625 372 HZ PHE 53 HZ PHE 53 -7.820 -1.232 3.206 373 H GLY 54 H GLY 54 -1.906 -6.153 4.189 374 HA2 GLY 54 1HA GLY 54 -1.259 -8.908 4.090 375 HA3 GLY 54 2HA GLY 54 -0.362 -7.670 4.958 376 H ALA 55 H ALA 55 -0.013 -9.282 6.601 377 HA ALA 55 HA ALA 55 -2.362 -10.041 8.168 378 HB1 ALA 55 3HB ALA 55 0.437 -10.873 8.821 379 HB2 ALA 55 1HB ALA 55 -1.082 -11.713 9.137 380 HB3 ALA 55 2HB ALA 55 -0.441 -11.637 7.496 381 H GLN 56 H GLN 56 -2.380 -9.748 10.485 382 HA GLN 56 HA GLN 56 -2.239 -8.485 12.371 383 HB2 GLN 56 1HB GLN 56 0.524 -8.207 11.246 384 HB3 GLN 56 2HB GLN 56 0.057 -7.269 12.658 385 HG2 GLN 56 1HG GLN 56 1.143 -9.242 13.413 386 HG3 GLN 56 2HG GLN 56 -0.574 -9.395 13.781 387 HE21 GLN 56 1HE2 GLN 56 -0.902 -11.524 13.721 388 HE22 GLN 56 2HE2 GLN 56 -0.552 -12.546 12.373 389 H VAL 57 H VAL 57 -3.485 -7.348 10.109 390 HA VAL 57 HA VAL 57 -2.705 -4.519 10.221 391 HB VAL 57 HB VAL 57 -4.621 -5.895 8.332 392 HG11 VAL 57 1HG1 VAL 57 -4.041 -3.100 8.888 393 HG12 VAL 57 2HG1 VAL 57 -3.811 -3.522 7.190 394 HG13 VAL 57 3HG1 VAL 57 -5.364 -3.821 7.972 395 HG21 VAL 57 3HG2 VAL 57 -2.922 -6.298 6.925 396 HG22 VAL 57 1HG2 VAL 57 -2.153 -4.747 7.262 397 HG23 VAL 57 2HG2 VAL 57 -1.896 -6.113 8.347 398 H ALA 58 H ALA 58 -3.881 -3.087 11.315 399 HA ALA 58 HA ALA 58 -6.121 -3.907 12.870 400 HB1 ALA 58 3HB ALA 58 -6.243 -1.442 13.432 401 HB2 ALA 58 1HB ALA 58 -4.727 -2.257 13.817 402 HB3 ALA 58 2HB ALA 58 -4.839 -1.231 12.386 403 HA PRO 59 HA PRO 59 -9.493 -3.066 10.184 404 HB2 PRO 59 1HB PRO 59 -11.382 -2.291 11.972 405 HB3 PRO 59 2HB PRO 59 -10.845 -3.967 11.808 406 HG2 PRO 59 1HG PRO 59 -10.028 -1.903 13.817 407 HG3 PRO 59 2HG PRO 59 -10.404 -3.619 14.065 408 HD2 PRO 59 1HD PRO 59 -7.865 -2.690 13.926 409 HD3 PRO 59 2HD PRO 59 -8.322 -4.308 13.355 410 H ALA 60 H ALA 60 -9.067 -0.576 12.702 411 HA ALA 60 HA ALA 60 -10.414 1.504 11.458 412 HB1 ALA 60 3HB ALA 60 -9.660 2.771 13.156 413 HB2 ALA 60 1HB ALA 60 -9.076 1.234 13.795 414 HB3 ALA 60 2HB ALA 60 -7.981 2.294 12.906 415 H THR 61 H THR 61 -7.121 0.358 10.986 416 HA THR 61 HA THR 61 -6.249 2.525 9.374 417 HB THR 61 HB THR 61 -5.209 -0.313 9.495 418 HG1 THR 61 1HG THR 61 -5.178 1.214 11.426 419 HG21 THR 61 3HG2 THR 61 -4.406 2.052 7.937 420 HG22 THR 61 1HG2 THR 61 -4.093 0.342 7.644 421 HG23 THR 61 2HG2 THR 61 -3.095 1.237 8.790 422 H LYS 62 H LYS 62 -8.118 -0.318 8.745 423 HA LYS 62 HA LYS 62 -7.690 -0.362 5.911 424 HB2 LYS 62 1HB LYS 62 -9.831 -1.649 7.615 425 HB3 LYS 62 2HB LYS 62 -9.591 -1.963 5.901 426 HG2 LYS 62 1HG LYS 62 -7.422 -2.912 6.327 427 HG3 LYS 62 2HG LYS 62 -7.530 -2.477 8.035 428 HD2 LYS 62 1HD LYS 62 -9.546 -3.945 8.200 429 HD3 LYS 62 2HD LYS 62 -9.233 -4.472 6.545 430 HE2 LYS 62 1HE LYS 62 -6.917 -5.127 7.349 431 HE3 LYS 62 2HE LYS 62 -7.523 -4.882 8.986 432 HZ1 LYS 62 3HZ LYS 62 -7.679 -7.199 8.307 433 HZ2 LYS 62 1HZ LYS 62 -8.661 -6.772 6.997 434 HZ3 LYS 62 2HZ LYS 62 -9.216 -6.548 8.579 435 H ARG 63 H ARG 63 -10.113 0.992 8.080 436 HA ARG 63 HA ARG 63 -11.775 1.915 5.904 437 HB2 ARG 63 1HB ARG 63 -12.703 1.207 8.111 438 HB3 ARG 63 2HB ARG 63 -11.934 2.611 8.840 439 HG2 ARG 63 1HG ARG 63 -13.286 3.899 6.986 440 HG3 ARG 63 2HG ARG 63 -14.300 2.456 7.052 441 HD2 ARG 63 1HD ARG 63 -14.492 2.766 9.506 442 HD3 ARG 63 2HD ARG 63 -13.587 4.271 9.351 443 HE ARG 63 HE ARG 63 -15.918 4.151 7.676 444 HH11 ARG 63 1HH1 ARG 63 -14.709 4.929 10.847 445 HH12 ARG 63 2HH1 ARG 63 -16.002 6.023 11.214 446 HH21 ARG 63 1HH2 ARG 63 -17.624 5.590 8.147 447 HH22 ARG 63 2HH2 ARG 63 -17.660 6.398 9.678 448 H LEU 64 H LEU 64 -9.890 3.508 8.480 449 HA LEU 64 HA LEU 64 -10.182 6.126 7.695 450 HB2 LEU 64 1HB LEU 64 -7.867 4.691 8.957 451 HB3 LEU 64 2HB LEU 64 -7.837 6.428 8.665 452 HG LEU 64 HG LEU 64 -9.790 4.958 10.435 453 HD11 LEU 64 1HD1 LEU 64 -8.654 6.089 12.261 454 HD12 LEU 64 2HD1 LEU 64 -7.527 6.828 11.124 455 HD13 LEU 64 3HD1 LEU 64 -7.525 5.080 11.358 456 HD21 LEU 64 3HD2 LEU 64 -10.898 6.841 9.474 457 HD22 LEU 64 1HD2 LEU 64 -9.498 7.878 9.752 458 HD23 LEU 64 2HD2 LEU 64 -10.435 7.276 11.120 459 H PHE 65 H PHE 65 -8.034 3.675 6.380 460 HA PHE 65 HA PHE 65 -7.194 5.600 4.313 461 HB2 PHE 65 1HB PHE 65 -5.729 3.263 5.531 462 HB3 PHE 65 2HB PHE 65 -5.227 3.996 4.011 463 HD1 PHE 65 1HD PHE 65 -4.410 6.316 3.966 464 HD2 PHE 65 2HD PHE 65 -5.323 4.329 7.617 465 HE1 PHE 65 1HE PHE 65 -3.132 8.014 5.205 466 HE2 PHE 65 2HE PHE 65 -4.048 6.024 8.863 467 HZ PHE 65 HZ PHE 65 -2.951 7.871 7.657 468 H ALA 66 H ALA 66 -7.476 5.083 2.203 469 HA ALA 66 HA ALA 66 -8.972 2.621 1.650 470 HB1 ALA 66 3HB ALA 66 -9.188 3.988 -0.643 471 HB2 ALA 66 1HB ALA 66 -10.277 4.219 0.725 472 HB3 ALA 66 2HB ALA 66 -8.929 5.329 0.472 473 H LEU 67 H LEU 67 -7.878 0.963 0.847 474 HA LEU 67 HA LEU 67 -5.461 1.499 -0.745 475 HB2 LEU 67 1HB LEU 67 -4.767 0.234 1.063 476 HB3 LEU 67 2HB LEU 67 -6.248 -0.719 1.093 477 HG LEU 67 HG LEU 67 -5.384 -1.698 -1.142 478 HD11 LEU 67 1HD1 LEU 67 -3.184 -1.476 -1.706 479 HD12 LEU 67 2HD1 LEU 67 -2.681 -1.104 -0.058 480 HD13 LEU 67 3HD1 LEU 67 -3.485 0.126 -1.032 481 HD21 LEU 67 3HD2 LEU 67 -4.888 -2.351 1.623 482 HD22 LEU 67 1HD2 LEU 67 -3.588 -2.941 0.588 483 HD23 LEU 67 2HD2 LEU 67 -5.256 -3.414 0.264 484 H ASN 68 H ASN 68 -6.000 1.495 -2.839 485 HA ASN 68 HA ASN 68 -8.145 0.031 -3.951 486 HB2 ASN 68 1HB ASN 68 -5.840 1.582 -5.061 487 HB3 ASN 68 2HB ASN 68 -6.777 0.557 -6.144 488 HD21 ASN 68 1HD2 ASN 68 -7.246 2.626 -7.175 489 HD22 ASN 68 2HD2 ASN 68 -8.562 3.573 -6.577 490 H ASN 69 H ASN 69 -8.269 -2.078 -4.295 491 HA ASN 69 HA ASN 69 -5.895 -3.727 -4.246 492 HB2 ASN 69 1HB ASN 69 -8.802 -4.485 -4.618 493 HB3 ASN 69 2HB ASN 69 -7.476 -5.613 -4.355 494 HD21 ASN 69 1HD2 ASN 69 -6.045 -4.547 -2.385 495 HD22 ASN 69 2HD2 ASN 69 -6.989 -4.371 -0.949 496 H THR 70 H THR 70 -7.090 -1.884 -6.572 497 HA THR 70 HA THR 70 -6.731 -3.858 -8.724 498 HB THR 70 HB THR 70 -7.977 -1.104 -8.849 499 HG1 THR 70 1HG THR 70 -9.518 -2.338 -7.969 500 HG21 THR 70 3HG2 THR 70 -7.453 -3.202 -10.935 501 HG22 THR 70 1HG2 THR 70 -7.081 -1.480 -10.983 502 HG23 THR 70 2HG2 THR 70 -8.753 -2.025 -11.119 503 H THR 71 H THR 71 -5.464 -0.935 -7.334 504 HA THR 71 HA THR 71 -3.310 -0.962 -9.343 505 HB THR 71 HB THR 71 -3.132 1.446 -9.238 506 HG1 THR 71 1HG THR 71 -5.235 1.240 -7.328 507 HG21 THR 71 3HG2 THR 71 -4.670 1.584 -10.843 508 HG22 THR 71 1HG2 THR 71 -5.958 1.589 -9.639 509 HG23 THR 71 2HG2 THR 71 -5.363 0.061 -10.288 510 H GLY 72 H GLY 72 -4.263 -0.655 -6.015 511 HA2 GLY 72 1HA GLY 72 -2.938 -1.170 -4.160 512 HA3 GLY 72 2HA GLY 72 -1.516 -1.125 -5.192 513 H LEU 73 H LEU 73 -3.495 1.576 -5.627 514 HA LEU 73 HA LEU 73 -1.545 3.262 -4.297 515 HB2 LEU 73 1HB LEU 73 -2.132 4.048 -6.419 516 HB3 LEU 73 2HB LEU 73 -3.849 3.760 -6.148 517 HG LEU 73 HG LEU 73 -3.842 5.646 -4.520 518 HD11 LEU 73 1HD1 LEU 73 -2.015 6.919 -4.069 519 HD12 LEU 73 2HD1 LEU 73 -1.272 6.612 -5.639 520 HD13 LEU 73 3HD1 LEU 73 -1.204 5.383 -4.376 521 HD21 LEU 73 3HD2 LEU 73 -2.815 6.631 -7.154 522 HD22 LEU 73 1HD2 LEU 73 -4.119 7.270 -6.152 523 HD23 LEU 73 2HD2 LEU 73 -4.352 5.771 -7.052 524 H ILE 74 H ILE 74 -1.772 3.811 -2.241 525 HA ILE 74 HA ILE 74 -4.372 3.638 -0.953 526 HB ILE 74 HB ILE 74 -1.655 4.268 0.206 527 HG12 ILE 74 1HG1 ILE 74 -3.300 1.746 0.463 528 HG13 ILE 74 2HG1 ILE 74 -2.009 1.948 -0.716 529 HG21 ILE 74 1HG2 ILE 74 -4.309 4.532 1.294 530 HG22 ILE 74 2HG2 ILE 74 -3.366 3.360 2.212 531 HG23 ILE 74 3HG2 ILE 74 -2.759 5.001 1.991 532 HD11 ILE 74 3HD1 ILE 74 -1.490 2.372 2.195 533 HD12 ILE 74 1HD1 ILE 74 -1.505 0.751 1.502 534 HD13 ILE 74 2HD1 ILE 74 -0.361 1.954 0.907 535 H THR 75 H THR 75 -5.670 5.322 -0.708 536 HA THR 75 HA THR 75 -4.493 8.021 -0.624 537 HB THR 75 HB THR 75 -6.539 8.853 -1.798 538 HG1 THR 75 1HG THR 75 -7.835 7.324 -2.858 539 HG21 THR 75 3HG2 THR 75 -4.453 7.149 -3.020 540 HG22 THR 75 1HG2 THR 75 -4.857 8.838 -3.323 541 HG23 THR 75 2HG2 THR 75 -5.831 7.555 -4.041 542 H VAL 76 H VAL 76 -5.651 9.584 0.598 543 HA VAL 76 HA VAL 76 -6.661 8.685 3.037 544 HB VAL 76 HB VAL 76 -7.008 11.369 1.697 545 HG11 VAL 76 1HG1 VAL 76 -8.747 11.015 3.379 546 HG12 VAL 76 2HG1 VAL 76 -7.513 10.605 4.572 547 HG13 VAL 76 3HG1 VAL 76 -7.587 12.236 3.902 548 HG21 VAL 76 3HG2 VAL 76 -5.002 11.953 2.528 549 HG22 VAL 76 1HG2 VAL 76 -5.257 11.072 4.034 550 HG23 VAL 76 2HG2 VAL 76 -4.717 10.214 2.591 551 H GLN 77 H GLN 77 -8.455 7.517 3.274 552 HA GLN 77 HA GLN 77 -10.723 7.865 1.515 553 HB2 GLN 77 1HB GLN 77 -9.910 5.630 2.379 554 HB3 GLN 77 2HB GLN 77 -10.542 6.094 3.953 555 HG2 GLN 77 1HG GLN 77 -12.781 6.334 2.942 556 HG3 GLN 77 2HG GLN 77 -12.120 5.757 1.413 557 HE21 GLN 77 1HE2 GLN 77 -14.138 4.710 3.429 558 HE22 GLN 77 2HE2 GLN 77 -13.653 3.072 3.687 559 H ARG 78 H ARG 78 -9.920 8.470 4.898 560 HA ARG 78 HA ARG 78 -12.115 10.373 5.052 561 HB2 ARG 78 1HB ARG 78 -11.818 8.135 7.063 562 HB3 ARG 78 2HB ARG 78 -12.985 9.448 7.140 563 HG2 ARG 78 1HG ARG 78 -14.099 8.635 5.164 564 HG3 ARG 78 2HG ARG 78 -12.873 7.383 4.952 565 HD2 ARG 78 1HD ARG 78 -13.611 6.174 6.798 566 HD3 ARG 78 2HD ARG 78 -14.451 7.561 7.490 567 HE ARG 78 HE ARG 78 -15.460 5.724 5.510 568 HH11 ARG 78 1HH1 ARG 78 -15.773 8.877 6.953 569 HH12 ARG 78 2HH1 ARG 78 -17.432 9.067 6.490 570 HH21 ARG 78 1HH2 ARG 78 -17.643 5.963 4.895 571 HH22 ARG 78 2HH2 ARG 78 -18.495 7.409 5.321 572 H SER 79 H SER 79 -12.041 11.551 7.220 573 HA SER 79 HA SER 79 -9.543 12.752 7.534 574 HB2 SER 79 1HB SER 79 -12.094 12.779 9.089 575 HB3 SER 79 2HB SER 79 -10.653 13.471 9.834 576 HG SER 79 HG SER 79 -11.272 14.196 7.205 577 H LEU 80 H LEU 80 -7.805 12.349 8.768 578 HA LEU 80 HA LEU 80 -7.810 9.889 10.344 579 HB2 LEU 80 1HB LEU 80 -5.439 11.618 9.693 580 HB3 LEU 80 2HB LEU 80 -5.446 9.930 10.199 581 HG LEU 80 HG LEU 80 -6.643 10.793 7.583 582 HD11 LEU 80 1HD1 LEU 80 -3.779 10.412 8.306 583 HD12 LEU 80 2HD1 LEU 80 -4.519 11.559 7.190 584 HD13 LEU 80 3HD1 LEU 80 -4.347 9.865 6.728 585 HD21 LEU 80 3HD2 LEU 80 -5.366 8.174 8.306 586 HD22 LEU 80 1HD2 LEU 80 -6.491 8.533 6.995 587 HD23 LEU 80 2HD2 LEU 80 -7.060 8.514 8.665 588 H ASP 81 H ASP 81 -6.532 9.895 12.394 589 HA ASP 81 HA ASP 81 -6.723 12.449 13.833 590 HB2 ASP 81 1HB ASP 81 -7.474 9.879 15.192 591 HB3 ASP 81 2HB ASP 81 -7.880 11.532 15.644 592 H ARG 82 H ARG 82 -4.918 12.948 14.887 593 HA ARG 82 HA ARG 82 -2.774 11.001 15.022 594 HB2 ARG 82 1HB ARG 82 -2.482 13.422 14.303 595 HB3 ARG 82 2HB ARG 82 -2.706 13.856 15.993 596 HG2 ARG 82 1HG ARG 82 -0.710 12.859 16.644 597 HG3 ARG 82 2HG ARG 82 -0.616 11.875 15.181 598 HD2 ARG 82 1HD ARG 82 0.211 13.590 13.916 599 HD3 ARG 82 2HD ARG 82 -0.590 14.830 14.879 600 HE ARG 82 HE ARG 82 2.054 13.910 15.205 601 HH11 ARG 82 1HH1 ARG 82 -0.746 14.830 17.060 602 HH12 ARG 82 2HH1 ARG 82 0.173 15.345 18.435 603 HH21 ARG 82 1HH2 ARG 82 3.274 14.585 17.010 604 HH22 ARG 82 2HH2 ARG 82 2.460 15.206 18.406 605 H GLU 83 H GLU 83 -5.123 12.415 17.114 606 HA GLU 83 HA GLU 83 -3.884 12.201 19.597 607 HB2 GLU 83 1HB GLU 83 -6.794 11.774 18.894 608 HB3 GLU 83 2HB GLU 83 -6.177 12.016 20.523 609 HG2 GLU 83 1HG GLU 83 -5.973 13.997 18.266 610 HG3 GLU 83 2HG GLU 83 -7.143 14.055 19.583 611 H GLU 84 H GLU 84 -5.720 9.778 17.770 612 HA GLU 84 HA GLU 84 -5.407 7.752 19.772 613 HB2 GLU 84 1HB GLU 84 -7.193 8.025 17.837 614 HB3 GLU 84 2HB GLU 84 -6.024 7.076 16.930 615 HG2 GLU 84 1HG GLU 84 -7.576 5.550 17.827 616 HG3 GLU 84 2HG GLU 84 -6.107 5.388 18.787 617 H THR 85 H THR 85 -4.171 7.978 16.431 618 HA THR 85 HA THR 85 -1.662 6.762 17.339 619 HB THR 85 HB THR 85 -3.212 5.005 16.355 620 HG1 THR 85 1HG THR 85 -0.875 5.264 14.789 621 HG21 THR 85 3HG2 THR 85 -4.147 6.370 14.548 622 HG22 THR 85 1HG2 THR 85 -3.371 4.920 13.913 623 HG23 THR 85 2HG2 THR 85 -2.554 6.479 13.801 624 H ALA 86 H ALA 86 0.102 7.686 16.484 625 HA ALA 86 HA ALA 86 -0.290 9.795 14.500 626 HB1 ALA 86 3HB ALA 86 1.412 10.880 15.475 627 HB2 ALA 86 1HB ALA 86 1.167 9.744 16.802 628 HB3 ALA 86 2HB ALA 86 2.404 9.426 15.585 629 H ILE 87 H ILE 87 1.377 6.740 14.947 630 HA ILE 87 HA ILE 87 2.510 6.951 12.245 631 HB ILE 87 HB ILE 87 3.154 5.021 14.476 632 HG12 ILE 87 1HG1 ILE 87 4.794 7.245 13.242 633 HG13 ILE 87 2HG1 ILE 87 3.985 7.330 14.803 634 HG21 ILE 87 1HG2 ILE 87 5.018 5.116 12.257 635 HG22 ILE 87 2HG2 ILE 87 4.266 3.728 13.042 636 HG23 ILE 87 3HG2 ILE 87 3.413 4.583 11.757 637 HD11 ILE 87 3HD1 ILE 87 5.807 6.515 15.742 638 HD12 ILE 87 1HD1 ILE 87 5.570 5.012 14.850 639 HD13 ILE 87 2HD1 ILE 87 6.562 6.299 14.163 640 H HIS 88 H HIS 88 1.502 5.958 10.639 641 HA HIS 88 HA HIS 88 -0.327 3.742 11.274 642 HB2 HIS 88 1HB HIS 88 -0.353 5.868 9.163 643 HB3 HIS 88 2HB HIS 88 -1.169 4.337 8.861 644 HD1 HIS 88 1HD HIS 88 -2.862 3.687 11.030 645 HD2 HIS 88 2HD HIS 88 -2.020 7.680 10.254 646 HE1 HIS 88 1HE HIS 88 -4.697 4.991 12.149 647 HE2 HIS 88 2HE HIS 88 -4.214 7.399 11.594 648 H LYS 89 H LYS 89 0.379 1.785 10.778 649 HA LYS 89 HA LYS 89 2.361 1.498 8.622 650 HB2 LYS 89 1HB LYS 89 1.919 0.067 11.199 651 HB3 LYS 89 2HB LYS 89 2.579 -0.848 9.850 652 HG2 LYS 89 1HG LYS 89 4.404 0.785 9.659 653 HG3 LYS 89 2HG LYS 89 3.753 1.651 11.053 654 HD2 LYS 89 1HD LYS 89 4.006 -0.464 12.372 655 HD3 LYS 89 2HD LYS 89 4.851 -1.157 10.986 656 HE2 LYS 89 1HE LYS 89 6.460 0.758 11.129 657 HE3 LYS 89 2HE LYS 89 5.678 1.224 12.638 658 HZ1 LYS 89 3HZ LYS 89 6.293 -0.878 13.600 659 HZ2 LYS 89 1HZ LYS 89 7.678 -0.128 12.981 660 HZ3 LYS 89 2HZ LYS 89 6.961 -1.407 12.139 661 H VAL 90 H VAL 90 1.475 0.859 6.774 662 HA VAL 90 HA VAL 90 -0.678 -1.154 6.876 663 HB VAL 90 HB VAL 90 -0.267 1.031 4.830 664 HG11 VAL 90 1HG1 VAL 90 -1.544 -0.096 3.402 665 HG12 VAL 90 2HG1 VAL 90 -1.420 -1.493 4.472 666 HG13 VAL 90 3HG1 VAL 90 -2.771 -0.372 4.637 667 HG21 VAL 90 3HG2 VAL 90 -2.810 1.263 5.815 668 HG22 VAL 90 1HG2 VAL 90 -1.895 0.785 7.245 669 HG23 VAL 90 2HG2 VAL 90 -1.424 2.221 6.336 670 H THR 91 H THR 91 -0.120 -3.062 6.084 671 HA THR 91 HA THR 91 2.190 -3.238 4.282 672 HB THR 91 HB THR 91 0.811 -5.448 5.820 673 HG1 THR 91 1HG THR 91 1.881 -4.125 7.268 674 HG21 THR 91 3HG2 THR 91 3.018 -5.377 3.850 675 HG22 THR 91 1HG2 THR 91 1.873 -6.665 4.224 676 HG23 THR 91 2HG2 THR 91 3.266 -6.391 5.271 677 H VAL 92 H VAL 92 2.015 -3.931 2.231 678 HA VAL 92 HA VAL 92 -0.640 -4.837 1.323 679 HB VAL 92 HB VAL 92 1.442 -3.269 -0.205 680 HG11 VAL 92 1HG1 VAL 92 -1.075 -4.635 -1.068 681 HG12 VAL 92 2HG1 VAL 92 -0.515 -3.184 -1.901 682 HG13 VAL 92 3HG1 VAL 92 0.509 -4.619 -1.841 683 HG21 VAL 92 3HG2 VAL 92 -1.253 -2.561 0.928 684 HG22 VAL 92 1HG2 VAL 92 0.304 -1.795 1.246 685 HG23 VAL 92 2HG2 VAL 92 -0.468 -1.604 -0.328 686 H LEU 93 H LEU 93 -0.776 -6.755 0.334 687 HA LEU 93 HA LEU 93 1.738 -8.139 -0.322 688 HB2 LEU 93 1HB LEU 93 -0.877 -9.070 0.766 689 HB3 LEU 93 2HB LEU 93 0.095 -10.182 -0.196 690 HG LEU 93 HG LEU 93 1.275 -8.782 2.176 691 HD11 LEU 93 1HD1 LEU 93 -0.972 -10.173 2.541 692 HD12 LEU 93 2HD1 LEU 93 0.363 -10.193 3.693 693 HD13 LEU 93 3HD1 LEU 93 0.182 -11.507 2.531 694 HD21 LEU 93 3HD2 LEU 93 1.836 -11.483 0.966 695 HD22 LEU 93 1HD2 LEU 93 2.791 -10.627 2.177 696 HD23 LEU 93 2HD2 LEU 93 2.697 -10.007 0.529 697 H ALA 94 H ALA 94 2.136 -8.540 -2.390 698 HA ALA 94 HA ALA 94 -0.058 -8.278 -4.322 699 HB1 ALA 94 3HB ALA 94 1.386 -7.068 -5.491 700 HB2 ALA 94 1HB ALA 94 2.644 -7.378 -4.294 701 HB3 ALA 94 2HB ALA 94 2.427 -8.483 -5.652 702 H SER 95 H SER 95 -0.795 -9.982 -5.416 703 HA SER 95 HA SER 95 0.867 -12.402 -5.561 704 HB2 SER 95 1HB SER 95 -1.038 -12.398 -3.765 705 HB3 SER 95 2HB SER 95 -2.097 -12.638 -5.155 706 HG SER 95 HG SER 95 -1.581 -14.661 -4.699 707 H ASP 96 H ASP 96 1.117 -13.051 -7.585 708 HA ASP 96 HA ASP 96 -0.809 -12.143 -9.608 709 HB2 ASP 96 1HB ASP 96 1.624 -11.541 -9.861 710 HB3 ASP 96 2HB ASP 96 1.962 -13.257 -10.069 711 H GLY 97 H GLY 97 1.028 -15.012 -8.595 712 HA2 GLY 97 1HA GLY 97 -0.781 -16.945 -8.610 713 HA3 GLY 97 2HA GLY 97 -0.597 -16.697 -10.340 714 H SER 98 H SER 98 0.173 -18.840 -8.200 715 HA SER 98 HA SER 98 1.884 -20.300 -7.800 716 HB2 SER 98 1HB SER 98 2.098 -19.711 -10.741 717 HB3 SER 98 2HB SER 98 3.208 -20.840 -9.966 718 HG SER 98 HG SER 98 1.203 -21.735 -10.894 719 H SER 99 H SER 99 2.577 -17.954 -6.742 720 HA SER 99 HA SER 99 5.395 -18.041 -6.697 721 HB2 SER 99 1HB SER 99 4.715 -16.746 -8.908 722 HB3 SER 99 2HB SER 99 4.512 -15.402 -7.784 723 HG SER 99 HG SER 99 6.816 -16.694 -8.615 724 H THR 100 H THR 100 5.762 -17.660 -4.626 725 HA THR 100 HA THR 100 4.146 -16.772 -2.688 726 HB THR 100 HB THR 100 7.079 -16.061 -2.887 727 HG1 THR 100 1HG THR 100 7.143 -18.194 -2.780 728 HG21 THR 100 3HG2 THR 100 5.565 -14.864 -1.146 729 HG22 THR 100 1HG2 THR 100 7.086 -15.579 -0.615 730 HG23 THR 100 2HG2 THR 100 5.566 -16.426 -0.328 731 HA PRO 101 HA PRO 101 3.087 -12.568 -3.514 732 HB2 PRO 101 1HB PRO 101 2.188 -11.901 -1.041 733 HB3 PRO 101 2HB PRO 101 1.271 -12.924 -2.153 734 HG2 PRO 101 1HG PRO 101 2.997 -13.714 0.163 735 HG3 PRO 101 2HG PRO 101 1.409 -14.343 -0.316 736 HD2 PRO 101 1HD PRO 101 3.719 -15.640 -0.876 737 HD3 PRO 101 2HD PRO 101 2.302 -15.712 -1.942 738 H ALA 102 H ALA 102 3.810 -10.461 -3.117 739 HA ALA 102 HA ALA 102 6.352 -10.315 -1.662 740 HB1 ALA 102 3HB ALA 102 6.766 -8.277 -2.961 741 HB2 ALA 102 1HB ALA 102 6.436 -9.662 -4.002 742 HB3 ALA 102 2HB ALA 102 5.186 -8.449 -3.725 743 H ARG 103 H ARG 103 6.340 -9.460 0.302 744 HA ARG 103 HA ARG 103 4.104 -7.799 1.151 745 HB2 ARG 103 1HB ARG 103 4.868 -8.156 3.385 746 HB3 ARG 103 2HB ARG 103 4.963 -9.700 2.549 747 HG2 ARG 103 1HG ARG 103 7.370 -9.364 2.225 748 HG3 ARG 103 2HG ARG 103 7.262 -7.836 3.101 749 HD2 ARG 103 1HD ARG 103 6.945 -8.863 5.126 750 HD3 ARG 103 2HD ARG 103 6.215 -10.297 4.405 751 HE ARG 103 HE ARG 103 8.793 -10.390 3.560 752 HH11 ARG 103 1HH1 ARG 103 7.276 -10.102 6.680 753 HH12 ARG 103 2HH1 ARG 103 8.553 -10.916 7.521 754 HH21 ARG 103 1HH2 ARG 103 10.481 -11.463 4.656 755 HH22 ARG 103 2HH2 ARG 103 10.376 -11.689 6.369 756 H ALA 104 H ALA 104 4.208 -5.662 1.519 757 HA ALA 104 HA ALA 104 6.840 -4.361 1.574 758 HB1 ALA 104 3HB ALA 104 6.091 -2.623 0.054 759 HB2 ALA 104 1HB ALA 104 5.973 -4.205 -0.719 760 HB3 ALA 104 2HB ALA 104 4.521 -3.411 -0.106 761 H THR 105 H THR 105 7.026 -3.042 3.255 762 HA THR 105 HA THR 105 4.600 -2.218 4.678 763 HB THR 105 HB THR 105 7.471 -2.072 5.615 764 HG1 THR 105 1HG THR 105 6.988 -3.962 6.747 765 HG21 THR 105 3HG2 THR 105 5.961 -2.139 7.848 766 HG22 THR 105 1HG2 THR 105 4.873 -1.270 6.767 767 HG23 THR 105 2HG2 THR 105 6.493 -0.645 7.077 768 H VAL 106 H VAL 106 4.123 -0.097 5.129 769 HA VAL 106 HA VAL 106 5.910 1.961 4.030 770 HB VAL 106 HB VAL 106 2.923 1.838 3.588 771 HG11 VAL 106 1HG1 VAL 106 3.162 3.912 2.368 772 HG12 VAL 106 2HG1 VAL 106 3.756 4.123 4.016 773 HG13 VAL 106 3HG1 VAL 106 4.897 3.932 2.683 774 HG21 VAL 106 3HG2 VAL 106 4.882 2.012 1.364 775 HG22 VAL 106 1HG2 VAL 106 4.708 0.461 2.185 776 HG23 VAL 106 2HG2 VAL 106 3.308 1.220 1.428 777 H THR 107 H THR 107 6.458 3.261 5.640 778 HA THR 107 HA THR 107 4.765 3.521 7.982 779 HB THR 107 HB THR 107 7.354 4.992 7.531 780 HG1 THR 107 1HG THR 107 6.908 2.269 8.057 781 HG21 THR 107 3HG2 THR 107 5.902 5.555 9.488 782 HG22 THR 107 1HG2 THR 107 7.506 4.969 9.927 783 HG23 THR 107 2HG2 THR 107 6.110 3.898 10.054 784 H ILE 108 H ILE 108 3.436 5.167 8.391 785 HA ILE 108 HA ILE 108 3.643 7.571 6.697 786 HB ILE 108 HB ILE 108 1.155 6.344 7.890 787 HG12 ILE 108 1HG1 ILE 108 1.747 6.737 4.967 788 HG13 ILE 108 2HG1 ILE 108 2.286 5.292 5.815 789 HG21 ILE 108 1HG2 ILE 108 1.490 8.814 6.195 790 HG22 ILE 108 2HG2 ILE 108 -0.051 8.095 6.659 791 HG23 ILE 108 3HG2 ILE 108 1.017 8.766 7.892 792 HD11 ILE 108 3HD1 ILE 108 -0.328 5.977 4.800 793 HD12 ILE 108 1HD1 ILE 108 0.315 4.417 5.309 794 HD13 ILE 108 2HD1 ILE 108 -0.382 5.515 6.501 795 H ASN 109 H ASN 109 4.583 9.100 7.902 796 HA ASN 109 HA ASN 109 4.084 9.280 10.751 797 HB2 ASN 109 1HB ASN 109 5.874 10.766 8.839 798 HB3 ASN 109 2HB ASN 109 5.639 11.321 10.493 799 HD21 ASN 109 1HD2 ASN 109 6.294 8.280 8.780 800 HD22 ASN 109 2HD2 ASN 109 7.521 7.737 9.868 801 H VAL 110 H VAL 110 2.604 10.531 11.677 802 HA VAL 110 HA VAL 110 1.092 12.393 10.006 803 HB VAL 110 HB VAL 110 0.516 11.384 12.795 804 HG11 VAL 110 1HG1 VAL 110 -1.438 12.591 12.811 805 HG12 VAL 110 2HG1 VAL 110 -0.373 13.703 11.948 806 HG13 VAL 110 3HG1 VAL 110 -1.514 12.698 11.052 807 HG21 VAL 110 3HG2 VAL 110 -0.900 9.808 11.889 808 HG22 VAL 110 1HG2 VAL 110 -1.088 10.692 10.375 809 HG23 VAL 110 2HG2 VAL 110 0.407 9.818 10.706 810 H THR 111 H THR 111 1.298 14.529 10.156 811 HA THR 111 HA THR 111 2.831 15.620 12.423 812 HB THR 111 HB THR 111 3.659 17.342 11.038 813 HG1 THR 111 1HG THR 111 1.487 16.648 9.407 814 HG21 THR 111 3HG2 THR 111 4.793 16.182 9.261 815 HG22 THR 111 1HG2 THR 111 3.577 14.906 9.258 816 HG23 THR 111 2HG2 THR 111 4.656 15.092 10.640 817 H ASP 112 H ASP 112 2.269 17.848 13.065 818 HA ASP 112 HA ASP 112 -0.552 18.078 13.490 819 HB2 ASP 112 1HB ASP 112 1.371 20.297 14.093 820 HB3 ASP 112 2HB ASP 112 -0.047 19.775 14.999 821 H VAL 113 H VAL 113 -1.793 20.043 13.019 822 HA VAL 113 HA VAL 113 -0.979 21.272 10.464 823 HB VAL 113 HB VAL 113 -3.601 21.531 10.245 824 HG11 VAL 113 1HG1 VAL 113 -3.537 19.873 8.654 825 HG12 VAL 113 2HG1 VAL 113 -1.815 20.183 8.882 826 HG13 VAL 113 3HG1 VAL 113 -2.573 18.793 9.661 827 HG21 VAL 113 3HG2 VAL 113 -4.866 19.751 11.176 828 HG22 VAL 113 1HG2 VAL 113 -3.414 18.937 11.760 829 HG23 VAL 113 2HG2 VAL 113 -3.934 20.451 12.500 830 H ASN 114 H ASN 114 -2.017 21.745 13.683 831 HA ASN 114 HA ASN 114 -2.964 24.451 13.263 832 HB2 ASN 114 1HB ASN 114 -3.299 24.490 15.689 833 HB3 ASN 114 2HB ASN 114 -4.004 23.036 14.989 834 HD21 ASN 114 1HD2 ASN 114 -3.903 21.734 16.734 835 HD22 ASN 114 2HD2 ASN 114 -2.430 21.233 17.487 Start of MODEL 4 1 H1 GLY 1 H GLY 1 13.160 -7.993 -29.540 2 HA2 GLY 1 1HA GLY 1 15.806 -8.099 -28.235 3 HA3 GLY 1 2HA GLY 1 14.325 -8.316 -27.314 4 H SER 2 H SER 2 15.030 -10.379 -26.638 5 HA SER 2 HA SER 2 14.495 -12.460 -28.618 6 HB2 SER 2 1HB SER 2 16.470 -13.771 -27.817 7 HB3 SER 2 2HB SER 2 16.908 -12.294 -28.676 8 HG SER 2 HG SER 2 16.893 -12.722 -25.873 9 H SER 3 H SER 3 13.541 -14.279 -27.792 10 HA SER 3 HA SER 3 12.333 -14.036 -25.211 11 HB2 SER 3 1HB SER 3 11.256 -15.093 -27.242 12 HB3 SER 3 2HB SER 3 12.325 -16.475 -26.998 13 HG SER 3 HG SER 3 10.763 -17.117 -25.736 14 H GLY 4 H GLY 4 14.501 -16.502 -26.618 15 HA2 GLY 4 1HA GLY 4 16.101 -17.831 -25.644 16 HA3 GLY 4 2HA GLY 4 16.180 -16.640 -24.354 17 H SER 5 H SER 5 16.565 -19.178 -23.635 18 HA SER 5 HA SER 5 14.009 -19.975 -22.400 19 HB2 SER 5 1HB SER 5 16.327 -21.742 -23.222 20 HB3 SER 5 2HB SER 5 14.888 -22.293 -22.364 21 HG SER 5 HG SER 5 15.229 -21.670 -25.023 22 H SER 6 H SER 6 15.660 -18.052 -21.237 23 HA SER 6 HA SER 6 16.576 -19.500 -18.847 24 HB2 SER 6 1HB SER 6 18.412 -17.818 -18.616 25 HB3 SER 6 2HB SER 6 18.582 -18.852 -20.035 26 HG SER 6 HG SER 6 17.721 -17.155 -21.288 27 H GLY 7 H GLY 7 16.455 -18.304 -16.869 28 HA2 GLY 7 1HA GLY 7 14.879 -15.827 -16.977 29 HA3 GLY 7 2HA GLY 7 14.261 -17.182 -16.044 30 H ASN 8 H ASN 8 14.629 -14.860 -14.744 31 HA ASN 8 HA ASN 8 17.101 -15.303 -13.201 32 HB2 ASN 8 1HB ASN 8 16.930 -13.124 -14.511 33 HB3 ASN 8 2HB ASN 8 15.639 -12.670 -13.403 34 HD21 ASN 8 1HD2 ASN 8 18.435 -11.667 -13.925 35 HD22 ASN 8 2HD2 ASN 8 19.156 -11.591 -12.357 36 H ASP 9 H ASP 9 13.662 -14.768 -13.130 37 HA ASP 9 HA ASP 9 13.436 -15.885 -10.519 38 HB2 ASP 9 1HB ASP 9 14.102 -13.332 -10.285 39 HB3 ASP 9 2HB ASP 9 12.385 -13.091 -10.593 40 H ASN 10 H ASN 10 11.120 -15.856 -9.760 41 HA ASN 10 HA ASN 10 9.277 -15.744 -12.056 42 HB2 ASN 10 1HB ASN 10 8.824 -17.734 -9.876 43 HB3 ASN 10 2HB ASN 10 8.387 -17.818 -11.580 44 HD21 ASN 10 1HD2 ASN 10 10.189 -18.077 -13.112 45 HD22 ASN 10 2HD2 ASN 10 11.530 -19.056 -12.635 46 H ARG 11 H ARG 11 9.804 -15.245 -8.648 47 HA ARG 11 HA ARG 11 7.063 -14.498 -8.119 48 HB2 ARG 11 1HB ARG 11 7.908 -13.925 -5.865 49 HB3 ARG 11 2HB ARG 11 8.331 -15.562 -6.350 50 HG2 ARG 11 1HG ARG 11 10.587 -14.827 -6.904 51 HG3 ARG 11 2HG ARG 11 10.165 -13.176 -6.447 52 HD2 ARG 11 1HD ARG 11 11.201 -13.953 -4.536 53 HD3 ARG 11 2HD ARG 11 9.500 -14.253 -4.179 54 HE ARG 11 HE ARG 11 9.906 -16.516 -4.260 55 HH11 ARG 11 1HH1 ARG 11 12.652 -14.782 -5.514 56 HH12 ARG 11 2HH1 ARG 11 13.677 -16.178 -5.559 57 HH21 ARG 11 1HH2 ARG 11 11.246 -18.361 -4.315 58 HH22 ARG 11 2HH2 ARG 11 12.876 -18.213 -4.877 59 HA PRO 12 HA PRO 12 7.382 -10.247 -9.206 60 HB2 PRO 12 1HB PRO 12 5.441 -9.230 -7.604 61 HB3 PRO 12 2HB PRO 12 5.091 -10.187 -9.049 62 HG2 PRO 12 1HG PRO 12 5.135 -11.038 -6.179 63 HG3 PRO 12 2HG PRO 12 3.965 -11.443 -7.448 64 HD2 PRO 12 1HD PRO 12 5.935 -13.138 -6.687 65 HD3 PRO 12 2HD PRO 12 5.321 -13.074 -8.351 66 H VAL 13 H VAL 13 8.138 -8.250 -8.449 67 HA VAL 13 HA VAL 13 9.026 -8.163 -5.646 68 HB VAL 13 HB VAL 13 10.906 -8.791 -7.211 69 HG11 VAL 13 1HG1 VAL 13 10.460 -7.530 -9.149 70 HG12 VAL 13 2HG1 VAL 13 10.325 -6.026 -8.237 71 HG13 VAL 13 3HG1 VAL 13 11.898 -6.799 -8.437 72 HG21 VAL 13 3HG2 VAL 13 12.442 -7.675 -5.925 73 HG22 VAL 13 1HG2 VAL 13 11.556 -6.151 -5.996 74 HG23 VAL 13 2HG2 VAL 13 10.992 -7.452 -4.947 75 H PHE 14 H PHE 14 9.030 -6.152 -4.683 76 HA PHE 14 HA PHE 14 7.439 -4.132 -6.035 77 HB2 PHE 14 1HB PHE 14 8.339 -4.554 -3.201 78 HB3 PHE 14 2HB PHE 14 7.700 -2.995 -3.711 79 HD1 PHE 14 1HD PHE 14 5.442 -3.296 -5.195 80 HD2 PHE 14 2HD PHE 14 6.848 -5.943 -2.172 81 HE1 PHE 14 1HE PHE 14 3.150 -4.126 -4.860 82 HE2 PHE 14 2HE PHE 14 4.559 -6.777 -1.833 83 HZ PHE 14 HZ PHE 14 2.706 -5.869 -3.178 84 H LYS 15 H LYS 15 8.138 -2.165 -6.685 85 HA LYS 15 HA LYS 15 10.683 -1.680 -7.498 86 HB2 LYS 15 1HB LYS 15 8.899 -0.244 -8.207 87 HB3 LYS 15 2HB LYS 15 8.606 0.300 -6.561 88 HG2 LYS 15 1HG LYS 15 10.427 1.697 -6.551 89 HG3 LYS 15 2HG LYS 15 11.277 0.775 -7.793 90 HD2 LYS 15 1HD LYS 15 8.735 2.258 -8.393 91 HD3 LYS 15 2HD LYS 15 10.307 3.059 -8.446 92 HE2 LYS 15 1HE LYS 15 11.084 1.532 -10.133 93 HE3 LYS 15 2HE LYS 15 9.616 0.566 -9.995 94 HZ1 LYS 15 3HZ LYS 15 9.244 3.379 -10.626 95 HZ2 LYS 15 1HZ LYS 15 8.437 2.018 -11.225 96 HZ3 LYS 15 2HZ LYS 15 9.956 2.438 -11.839 97 H GLU 16 H GLU 16 9.341 -1.025 -4.305 98 HA GLU 16 HA GLU 16 12.064 -0.753 -3.276 99 HB2 GLU 16 1HB GLU 16 11.558 1.226 -2.004 100 HB3 GLU 16 2HB GLU 16 11.188 1.539 -3.694 101 HG2 GLU 16 1HG GLU 16 9.024 0.603 -1.874 102 HG3 GLU 16 2HG GLU 16 9.547 2.285 -1.813 103 H GLY 17 H GLY 17 11.753 -0.400 -0.698 104 HA2 GLY 17 1HA GLY 17 9.959 -2.597 0.126 105 HA3 GLY 17 2HA GLY 17 11.497 -2.232 0.896 106 H GLN 18 H GLN 18 11.616 0.073 1.805 107 HA GLN 18 HA GLN 18 9.064 0.656 3.156 108 HB2 GLN 18 1HB GLN 18 10.859 -0.234 4.632 109 HB3 GLN 18 2HB GLN 18 11.855 1.150 4.203 110 HG2 GLN 18 1HG GLN 18 9.142 1.644 5.308 111 HG3 GLN 18 2HG GLN 18 10.420 1.116 6.401 112 HE21 GLN 18 1HE2 GLN 18 8.883 3.745 5.449 113 HE22 GLN 18 2HE2 GLN 18 10.140 4.925 5.552 114 H VAL 19 H VAL 19 8.438 2.794 3.429 115 HA VAL 19 HA VAL 19 10.111 4.919 2.363 116 HB VAL 19 HB VAL 19 7.400 4.304 1.178 117 HG11 VAL 19 1HG1 VAL 19 7.582 6.288 -0.097 118 HG12 VAL 19 2HG1 VAL 19 7.927 6.744 1.572 119 HG13 VAL 19 3HG1 VAL 19 9.247 6.553 0.418 120 HG21 VAL 19 3HG2 VAL 19 10.103 4.398 -0.155 121 HG22 VAL 19 1HG2 VAL 19 9.289 2.917 0.350 122 HG23 VAL 19 2HG2 VAL 19 8.568 3.941 -0.892 123 H GLU 20 H GLU 20 10.031 6.448 3.860 124 HA GLU 20 HA GLU 20 7.766 6.652 5.654 125 HB2 GLU 20 1HB GLU 20 10.252 6.878 6.292 126 HB3 GLU 20 2HB GLU 20 10.142 8.497 5.615 127 HG2 GLU 20 1HG GLU 20 8.121 8.766 7.202 128 HG3 GLU 20 2HG GLU 20 8.804 7.370 8.035 129 H VAL 21 H VAL 21 6.061 7.874 5.237 130 HA VAL 21 HA VAL 21 6.389 10.196 3.452 131 HB VAL 21 HB VAL 21 3.942 9.976 3.010 132 HG11 VAL 21 1HG1 VAL 21 5.105 7.354 2.253 133 HG12 VAL 21 2HG1 VAL 21 4.288 8.563 1.260 134 HG13 VAL 21 3HG1 VAL 21 5.966 8.807 1.747 135 HG21 VAL 21 3HG2 VAL 21 3.629 8.596 5.170 136 HG22 VAL 21 1HG2 VAL 21 2.679 8.167 3.747 137 HG23 VAL 21 2HG2 VAL 21 4.104 7.220 4.175 138 H HIS 22 H HIS 22 4.998 12.050 3.883 139 HA HIS 22 HA HIS 22 4.321 12.317 6.738 140 HB2 HIS 22 1HB HIS 22 5.203 14.502 6.806 141 HB3 HIS 22 2HB HIS 22 6.410 13.563 5.932 142 HD1 HIS 22 1HD HIS 22 6.338 13.848 3.251 143 HD2 HIS 22 2HD HIS 22 4.267 16.686 5.469 144 HE1 HIS 22 1HE HIS 22 5.956 15.778 1.684 145 HE2 HIS 22 2HE HIS 22 4.777 17.517 3.073 146 H ILE 23 H ILE 23 2.199 12.505 6.967 147 HA ILE 23 HA ILE 23 0.729 14.228 5.095 148 HB ILE 23 HB ILE 23 0.208 11.988 4.394 149 HG12 ILE 23 1HG1 ILE 23 -1.992 13.239 6.046 150 HG13 ILE 23 2HG1 ILE 23 -1.664 13.505 4.338 151 HG21 ILE 23 1HG2 ILE 23 -0.980 10.478 6.114 152 HG22 ILE 23 2HG2 ILE 23 0.778 10.593 6.161 153 HG23 ILE 23 3HG2 ILE 23 -0.195 11.499 7.320 154 HD11 ILE 23 3HD1 ILE 23 -3.133 11.354 5.665 155 HD12 ILE 23 1HD1 ILE 23 -3.289 12.004 4.033 156 HD13 ILE 23 2HD1 ILE 23 -2.033 10.820 4.395 157 HA PRO 24 HA PRO 24 -0.652 16.088 8.865 158 HB2 PRO 24 1HB PRO 24 -2.603 17.639 7.789 159 HB3 PRO 24 2HB PRO 24 -0.883 18.016 7.637 160 HG2 PRO 24 1HG PRO 24 -2.714 16.700 5.669 161 HG3 PRO 24 2HG PRO 24 -1.482 17.944 5.392 162 HD2 PRO 24 1HD PRO 24 -1.053 15.324 4.858 163 HD3 PRO 24 2HD PRO 24 0.242 16.415 5.391 164 H GLU 25 H GLU 25 -2.184 15.669 10.375 165 HA GLU 25 HA GLU 25 -3.905 13.503 10.122 166 HB2 GLU 25 1HB GLU 25 -5.020 14.469 12.199 167 HB3 GLU 25 2HB GLU 25 -3.297 14.139 12.309 168 HG2 GLU 25 1HG GLU 25 -2.774 16.462 12.039 169 HG3 GLU 25 2HG GLU 25 -4.465 16.849 11.724 170 H ASN 26 H ASN 26 -4.468 16.919 9.545 171 HA ASN 26 HA ASN 26 -7.301 16.455 9.034 172 HB2 ASN 26 1HB ASN 26 -6.556 18.470 10.301 173 HB3 ASN 26 2HB ASN 26 -5.730 19.034 8.851 174 HD21 ASN 26 1HD2 ASN 26 -6.844 20.713 8.148 175 HD22 ASN 26 2HD2 ASN 26 -8.551 20.754 7.887 176 H ALA 27 H ALA 27 -5.135 15.362 7.310 177 HA ALA 27 HA ALA 27 -4.872 16.741 4.907 178 HB1 ALA 27 3HB ALA 27 -3.462 14.943 5.022 179 HB2 ALA 27 1HB ALA 27 -4.697 13.876 5.692 180 HB3 ALA 27 2HB ALA 27 -4.720 14.285 3.976 181 HA PRO 28 HA PRO 28 -8.877 16.633 3.083 182 HB2 PRO 28 1HB PRO 28 -8.172 16.879 0.473 183 HB3 PRO 28 2HB PRO 28 -8.089 18.220 1.620 184 HG2 PRO 28 1HG PRO 28 -5.901 16.425 0.645 185 HG3 PRO 28 2HG PRO 28 -5.884 18.182 0.882 186 HD2 PRO 28 1HD PRO 28 -4.803 16.461 2.671 187 HD3 PRO 28 2HD PRO 28 -5.546 17.999 3.155 188 H VAL 29 H VAL 29 -10.211 15.003 2.619 189 HA VAL 29 HA VAL 29 -9.410 12.374 2.242 190 HB VAL 29 HB VAL 29 -12.027 13.633 1.408 191 HG11 VAL 29 1HG1 VAL 29 -12.921 11.553 1.088 192 HG12 VAL 29 2HG1 VAL 29 -11.264 11.252 0.559 193 HG13 VAL 29 3HG1 VAL 29 -11.775 10.771 2.177 194 HG21 VAL 29 3HG2 VAL 29 -11.045 12.465 3.994 195 HG22 VAL 29 1HG2 VAL 29 -11.793 14.036 3.704 196 HG23 VAL 29 2HG2 VAL 29 -12.764 12.566 3.614 197 H GLY 30 H GLY 30 -8.338 11.513 0.594 198 HA2 GLY 30 1HA GLY 30 -8.613 10.755 -1.740 199 HA3 GLY 30 2HA GLY 30 -9.032 12.415 -2.134 200 H THR 31 H THR 31 -6.549 12.149 0.164 201 HA THR 31 HA THR 31 -4.627 13.186 -1.731 202 HB THR 31 HB THR 31 -4.152 12.552 1.184 203 HG1 THR 31 1HG THR 31 -5.949 14.157 0.416 204 HG21 THR 31 3HG2 THR 31 -2.509 13.567 -0.914 205 HG22 THR 31 1HG2 THR 31 -2.097 13.308 0.781 206 HG23 THR 31 2HG2 THR 31 -2.774 14.852 0.264 207 H SER 32 H SER 32 -2.969 12.117 -2.632 208 HA SER 32 HA SER 32 -2.862 9.266 -2.422 209 HB2 SER 32 1HB SER 32 -0.987 11.173 -3.843 210 HB3 SER 32 2HB SER 32 -1.044 9.425 -4.069 211 HG SER 32 HG SER 32 -3.293 11.090 -4.492 212 H VAL 33 H VAL 33 -1.906 8.218 -0.820 213 HA VAL 33 HA VAL 33 0.125 9.494 0.801 214 HB VAL 33 HB VAL 33 -1.013 6.702 1.005 215 HG11 VAL 33 1HG1 VAL 33 0.141 8.072 3.350 216 HG12 VAL 33 2HG1 VAL 33 0.211 6.373 2.877 217 HG13 VAL 33 3HG1 VAL 33 1.284 7.548 2.115 218 HG21 VAL 33 3HG2 VAL 33 -2.824 7.570 1.957 219 HG22 VAL 33 1HG2 VAL 33 -1.832 8.481 3.095 220 HG23 VAL 33 2HG2 VAL 33 -2.242 9.178 1.528 221 H ILE 34 H ILE 34 -0.011 6.248 -0.671 222 HA ILE 34 HA ILE 34 2.717 6.622 -1.665 223 HB ILE 34 HB ILE 34 2.830 5.489 0.567 224 HG12 ILE 34 1HG1 ILE 34 4.207 3.510 -0.343 225 HG13 ILE 34 2HG1 ILE 34 3.765 4.104 -1.940 226 HG21 ILE 34 1HG2 ILE 34 2.105 3.170 0.744 227 HG22 ILE 34 2HG2 ILE 34 0.739 4.230 0.398 228 HG23 ILE 34 3HG2 ILE 34 1.436 3.244 -0.887 229 HD11 ILE 34 3HD1 ILE 34 4.704 6.335 -0.556 230 HD12 ILE 34 1HD1 ILE 34 5.808 5.022 -0.147 231 HD13 ILE 34 2HD1 ILE 34 5.522 5.441 -1.837 232 H GLN 35 H GLN 35 3.201 5.485 -3.514 233 HA GLN 35 HA GLN 35 0.976 3.955 -4.692 234 HB2 GLN 35 1HB GLN 35 1.626 6.203 -5.740 235 HB3 GLN 35 2HB GLN 35 3.094 5.395 -6.275 236 HG2 GLN 35 1HG GLN 35 0.315 4.453 -6.938 237 HG3 GLN 35 2HG GLN 35 1.286 5.495 -7.977 238 HE21 GLN 35 1HE2 GLN 35 0.228 2.790 -8.416 239 HE22 GLN 35 2HE2 GLN 35 1.597 1.810 -8.802 240 H LEU 36 H LEU 36 1.359 1.881 -5.080 241 HA LEU 36 HA LEU 36 4.149 0.956 -5.123 242 HB2 LEU 36 1HB LEU 36 1.573 -0.372 -4.353 243 HB3 LEU 36 2HB LEU 36 3.018 -1.312 -4.720 244 HG LEU 36 HG LEU 36 2.793 0.747 -2.526 245 HD11 LEU 36 1HD1 LEU 36 2.533 -0.982 -0.995 246 HD12 LEU 36 2HD1 LEU 36 3.050 -2.213 -2.147 247 HD13 LEU 36 3HD1 LEU 36 1.470 -1.449 -2.323 248 HD21 LEU 36 3HD2 LEU 36 4.997 0.601 -2.287 249 HD22 LEU 36 1HD2 LEU 36 5.048 -0.270 -3.820 250 HD23 LEU 36 2HD2 LEU 36 4.938 -1.162 -2.302 251 H HIS 37 H HIS 37 4.974 0.029 -6.894 252 HA HIS 37 HA HIS 37 3.124 -0.748 -9.050 253 HB2 HIS 37 1HB HIS 37 4.556 1.465 -9.283 254 HB3 HIS 37 2HB HIS 37 5.828 0.329 -9.723 255 HD1 HIS 37 1HD HIS 37 2.487 1.600 -10.886 256 HD2 HIS 37 2HD HIS 37 5.602 -0.789 -12.247 257 HE1 HIS 37 1HE HIS 37 2.019 1.211 -13.326 258 HE2 HIS 37 2HE HIS 37 3.871 -0.308 -14.107 259 H ALA 38 H ALA 38 3.227 -2.911 -9.039 260 HA ALA 38 HA ALA 38 5.893 -4.146 -9.216 261 HB1 ALA 38 3HB ALA 38 3.559 -5.435 -7.822 262 HB2 ALA 38 1HB ALA 38 5.245 -5.956 -7.832 263 HB3 ALA 38 2HB ALA 38 4.781 -4.482 -6.980 264 H THR 39 H THR 39 5.786 -4.307 -11.454 265 HA THR 39 HA THR 39 3.591 -5.908 -12.571 266 HB THR 39 HB THR 39 4.643 -5.158 -14.800 267 HG1 THR 39 1HG THR 39 5.687 -2.976 -14.346 268 HG21 THR 39 3HG2 THR 39 2.946 -3.708 -14.863 269 HG22 THR 39 1HG2 THR 39 3.702 -2.670 -13.655 270 HG23 THR 39 2HG2 THR 39 2.705 -4.033 -13.147 271 H ASP 40 H ASP 40 4.133 -7.528 -14.203 272 HA ASP 40 HA ASP 40 6.626 -8.920 -13.505 273 HB2 ASP 40 1HB ASP 40 5.524 -10.952 -14.355 274 HB3 ASP 40 2HB ASP 40 4.584 -10.193 -13.073 275 H ALA 41 H ALA 41 7.311 -10.447 -15.432 276 HA ALA 41 HA ALA 41 8.542 -8.980 -17.362 277 HB1 ALA 41 3HB ALA 41 9.265 -10.950 -18.141 278 HB2 ALA 41 1HB ALA 41 8.367 -11.645 -16.791 279 HB3 ALA 41 2HB ALA 41 7.629 -11.560 -18.391 280 H ASP 42 H ASP 42 7.391 -7.385 -18.363 281 HA ASP 42 HA ASP 42 4.880 -7.226 -19.276 282 HB2 ASP 42 1HB ASP 42 5.670 -5.779 -21.105 283 HB3 ASP 42 2HB ASP 42 6.513 -5.434 -19.597 284 H ILE 43 H ILE 43 7.487 -8.956 -20.931 285 HA ILE 43 HA ILE 43 6.146 -9.655 -23.263 286 HB ILE 43 HB ILE 43 8.451 -10.109 -23.215 287 HG12 ILE 43 1HG1 ILE 43 8.598 -12.380 -23.914 288 HG13 ILE 43 2HG1 ILE 43 7.255 -12.859 -22.882 289 HG21 ILE 43 1HG2 ILE 43 9.158 -10.297 -21.055 290 HG22 ILE 43 2HG2 ILE 43 7.845 -11.383 -20.603 291 HG23 ILE 43 3HG2 ILE 43 9.217 -11.995 -21.526 292 HD11 ILE 43 3HD1 ILE 43 5.798 -11.381 -24.316 293 HD12 ILE 43 1HD1 ILE 43 7.163 -11.274 -25.427 294 HD13 ILE 43 2HD1 ILE 43 6.428 -12.840 -25.081 295 H GLY 44 H GLY 44 4.010 -10.227 -22.898 296 HA2 GLY 44 1HA GLY 44 2.342 -11.816 -22.717 297 HA3 GLY 44 2HA GLY 44 3.570 -12.991 -22.270 298 H SER 45 H SER 45 1.476 -10.436 -21.067 299 HA SER 45 HA SER 45 2.051 -11.204 -18.307 300 HB2 SER 45 1HB SER 45 1.992 -8.806 -18.815 301 HB3 SER 45 2HB SER 45 0.338 -8.962 -19.408 302 HG SER 45 HG SER 45 -0.385 -9.158 -17.403 303 H ASN 46 H ASN 46 1.048 -13.313 -18.570 304 HA ASN 46 HA ASN 46 -1.868 -13.296 -18.810 305 HB2 ASN 46 1HB ASN 46 0.248 -15.397 -19.034 306 HB3 ASN 46 2HB ASN 46 -1.385 -15.885 -18.591 307 HD21 ASN 46 1HD2 ASN 46 -1.948 -16.924 -20.422 308 HD22 ASN 46 2HD2 ASN 46 -2.078 -16.165 -21.969 309 H ALA 47 H ALA 47 -0.700 -12.142 -16.481 310 HA ALA 47 HA ALA 47 -1.574 -14.066 -14.425 311 HB1 ALA 47 3HB ALA 47 0.129 -11.844 -13.537 312 HB2 ALA 47 1HB ALA 47 0.167 -13.553 -13.100 313 HB3 ALA 47 2HB ALA 47 0.915 -13.009 -14.603 314 H GLU 48 H GLU 48 -2.100 -12.718 -12.302 315 HA GLU 48 HA GLU 48 -3.730 -10.386 -13.037 316 HB2 GLU 48 1HB GLU 48 -4.654 -12.652 -11.262 317 HB3 GLU 48 2HB GLU 48 -5.563 -11.194 -11.632 318 HG2 GLU 48 1HG GLU 48 -6.038 -11.865 -13.775 319 HG3 GLU 48 2HG GLU 48 -4.644 -12.942 -13.861 320 H ILE 49 H ILE 49 -1.979 -9.176 -12.107 321 HA ILE 49 HA ILE 49 -1.089 -9.502 -9.453 322 HB ILE 49 HB ILE 49 -1.095 -7.052 -11.217 323 HG12 ILE 49 1HG1 ILE 49 0.248 -9.165 -11.834 324 HG13 ILE 49 2HG1 ILE 49 1.104 -7.627 -11.808 325 HG21 ILE 49 1HG2 ILE 49 -0.827 -6.046 -9.186 326 HG22 ILE 49 2HG2 ILE 49 -0.135 -7.485 -8.439 327 HG23 ILE 49 3HG2 ILE 49 0.848 -6.491 -9.515 328 HD11 ILE 49 3HD1 ILE 49 2.020 -8.151 -9.628 329 HD12 ILE 49 1HD1 ILE 49 1.118 -9.666 -9.596 330 HD13 ILE 49 2HD1 ILE 49 2.398 -9.426 -10.786 331 H ARG 50 H ARG 50 -2.184 -9.225 -7.635 332 HA ARG 50 HA ARG 50 -4.207 -7.094 -7.509 333 HB2 ARG 50 1HB ARG 50 -5.165 -9.456 -7.733 334 HB3 ARG 50 2HB ARG 50 -4.540 -9.743 -6.115 335 HG2 ARG 50 1HG ARG 50 -6.796 -9.166 -5.834 336 HG3 ARG 50 2HG ARG 50 -5.882 -7.725 -5.386 337 HD2 ARG 50 1HD ARG 50 -6.537 -6.562 -7.254 338 HD3 ARG 50 2HD ARG 50 -6.789 -8.025 -8.205 339 HE ARG 50 HE ARG 50 -8.742 -6.643 -6.714 340 HH11 ARG 50 1HH1 ARG 50 -7.688 -9.873 -7.472 341 HH12 ARG 50 2HH1 ARG 50 -9.261 -10.573 -7.272 342 HH21 ARG 50 1HH2 ARG 50 -10.817 -7.552 -6.447 343 HH22 ARG 50 2HH2 ARG 50 -11.039 -9.251 -6.690 344 H TYR 51 H TYR 51 -4.255 -5.913 -5.650 345 HA TYR 51 HA TYR 51 -2.221 -6.586 -3.628 346 HB2 TYR 51 1HB TYR 51 -3.312 -3.832 -4.214 347 HB3 TYR 51 2HB TYR 51 -1.916 -4.245 -3.225 348 HD1 TYR 51 1HD TYR 51 -3.185 -3.976 -6.668 349 HD2 TYR 51 2HD TYR 51 0.219 -4.709 -4.224 350 HE1 TYR 51 1HE TYR 51 -1.727 -3.720 -8.633 351 HE2 TYR 51 2HE TYR 51 1.687 -4.454 -6.181 352 HH TYR 51 HH TYR 51 0.750 -3.063 -9.013 353 H ILE 52 H ILE 52 -3.015 -7.232 -1.751 354 HA ILE 52 HA ILE 52 -5.640 -6.195 -0.897 355 HB ILE 52 HB ILE 52 -5.960 -8.284 0.358 356 HG12 ILE 52 1HG1 ILE 52 -4.344 -10.188 -0.563 357 HG13 ILE 52 2HG1 ILE 52 -3.233 -8.832 -0.718 358 HG21 ILE 52 1HG2 ILE 52 -6.299 -9.773 -1.613 359 HG22 ILE 52 2HG2 ILE 52 -6.958 -8.150 -1.811 360 HG23 ILE 52 3HG2 ILE 52 -5.438 -8.587 -2.593 361 HD11 ILE 52 3HD1 ILE 52 -3.078 -8.526 1.540 362 HD12 ILE 52 1HD1 ILE 52 -4.667 -9.222 1.857 363 HD13 ILE 52 2HD1 ILE 52 -3.306 -10.272 1.459 364 H PHE 53 H PHE 53 -5.946 -6.277 1.514 365 HA PHE 53 HA PHE 53 -3.850 -4.824 2.772 366 HB2 PHE 53 1HB PHE 53 -6.505 -5.896 3.679 367 HB3 PHE 53 2HB PHE 53 -5.377 -5.212 4.845 368 HD1 PHE 53 2HD PHE 53 -4.374 -2.858 4.077 369 HD2 PHE 53 1HD PHE 53 -8.088 -4.499 2.801 370 HE1 PHE 53 2HE PHE 53 -5.181 -0.598 3.532 371 HE2 PHE 53 1HE PHE 53 -8.901 -2.242 2.253 372 HZ PHE 53 HZ PHE 53 -7.447 -0.288 2.619 373 H GLY 54 H GLY 54 -2.370 -5.436 4.287 374 HA2 GLY 54 1HA GLY 54 -1.328 -7.991 4.291 375 HA3 GLY 54 2HA GLY 54 -1.055 -6.816 5.569 376 H ALA 55 H ALA 55 -0.960 -9.072 6.652 377 HA ALA 55 HA ALA 55 -3.580 -10.149 7.307 378 HB1 ALA 55 3HB ALA 55 -2.060 -11.657 8.805 379 HB2 ALA 55 1HB ALA 55 -2.098 -11.890 7.057 380 HB3 ALA 55 2HB ALA 55 -0.765 -11.005 7.801 381 H GLN 56 H GLN 56 -4.281 -10.423 9.518 382 HA GLN 56 HA GLN 56 -4.966 -9.411 11.456 383 HB2 GLN 56 1HB GLN 56 -1.967 -9.513 11.742 384 HB3 GLN 56 2HB GLN 56 -3.027 -9.030 13.059 385 HG2 GLN 56 1HG GLN 56 -3.557 -11.608 11.679 386 HG3 GLN 56 2HG GLN 56 -2.200 -11.507 12.800 387 HE21 GLN 56 1HE2 GLN 56 -4.123 -13.229 13.421 388 HE22 GLN 56 2HE2 GLN 56 -5.094 -12.649 14.726 389 H VAL 57 H VAL 57 -5.097 -7.572 9.467 390 HA VAL 57 HA VAL 57 -3.791 -5.144 10.454 391 HB VAL 57 HB VAL 57 -5.305 -5.713 7.908 392 HG11 VAL 57 1HG1 VAL 57 -5.835 -3.456 8.646 393 HG12 VAL 57 2HG1 VAL 57 -4.117 -3.102 8.844 394 HG13 VAL 57 3HG1 VAL 57 -4.775 -3.414 7.237 395 HG21 VAL 57 3HG2 VAL 57 -3.312 -6.181 7.046 396 HG22 VAL 57 1HG2 VAL 57 -2.687 -4.616 7.568 397 HG23 VAL 57 2HG2 VAL 57 -2.601 -6.006 8.650 398 H ALA 58 H ALA 58 -4.868 -4.129 12.016 399 HA ALA 58 HA ALA 58 -7.432 -4.399 12.855 400 HB1 ALA 58 3HB ALA 58 -6.490 -1.606 12.872 401 HB2 ALA 58 1HB ALA 58 -7.043 -2.629 14.198 402 HB3 ALA 58 2HB ALA 58 -5.398 -2.794 13.582 403 HA PRO 59 HA PRO 59 -10.210 -2.754 9.882 404 HB2 PRO 59 1HB PRO 59 -12.137 -1.697 11.475 405 HB3 PRO 59 2HB PRO 59 -11.913 -3.438 11.265 406 HG2 PRO 59 1HG PRO 59 -10.991 -1.664 13.493 407 HG3 PRO 59 2HG PRO 59 -11.716 -3.280 13.576 408 HD2 PRO 59 1HD PRO 59 -9.051 -2.867 13.811 409 HD3 PRO 59 2HD PRO 59 -9.729 -4.336 13.081 410 H ALA 60 H ALA 60 -9.666 -0.505 12.597 411 HA ALA 60 HA ALA 60 -10.432 1.857 11.417 412 HB1 ALA 60 3HB ALA 60 -8.651 1.101 13.614 413 HB2 ALA 60 1HB ALA 60 -8.286 2.666 12.888 414 HB3 ALA 60 2HB ALA 60 -9.896 2.348 13.537 415 H THR 61 H THR 61 -7.146 0.470 11.402 416 HA THR 61 HA THR 61 -5.886 2.386 9.858 417 HB THR 61 HB THR 61 -5.285 -0.556 9.588 418 HG1 THR 61 1HG THR 61 -3.875 -0.064 11.479 419 HG21 THR 61 3HG2 THR 61 -3.174 0.076 8.947 420 HG22 THR 61 1HG2 THR 61 -3.241 1.598 9.834 421 HG23 THR 61 2HG2 THR 61 -4.105 1.429 8.305 422 H LYS 62 H LYS 62 -8.336 0.216 8.933 423 HA LYS 62 HA LYS 62 -7.684 0.504 6.084 424 HB2 LYS 62 1HB LYS 62 -9.320 -1.448 7.651 425 HB3 LYS 62 2HB LYS 62 -9.718 -1.170 5.961 426 HG2 LYS 62 1HG LYS 62 -7.477 -1.818 5.299 427 HG3 LYS 62 2HG LYS 62 -7.023 -2.034 6.991 428 HD2 LYS 62 1HD LYS 62 -9.387 -3.518 5.954 429 HD3 LYS 62 2HD LYS 62 -7.776 -4.076 5.495 430 HE2 LYS 62 1HE LYS 62 -7.203 -4.617 7.660 431 HE3 LYS 62 2HE LYS 62 -8.355 -3.482 8.361 432 HZ1 LYS 62 3HZ LYS 62 -10.119 -5.019 7.400 433 HZ2 LYS 62 1HZ LYS 62 -9.268 -5.573 8.753 434 HZ3 LYS 62 2HZ LYS 62 -8.879 -6.154 7.213 435 H ARG 63 H ARG 63 -9.853 1.553 8.535 436 HA ARG 63 HA ARG 63 -11.939 2.393 6.728 437 HB2 ARG 63 1HB ARG 63 -13.161 2.930 8.596 438 HB3 ARG 63 2HB ARG 63 -12.068 1.734 9.280 439 HG2 ARG 63 1HG ARG 63 -10.680 3.444 10.217 440 HG3 ARG 63 2HG ARG 63 -11.598 4.703 9.389 441 HD2 ARG 63 1HD ARG 63 -12.171 4.453 11.797 442 HD3 ARG 63 2HD ARG 63 -13.542 4.240 10.709 443 HE ARG 63 HE ARG 63 -12.748 1.717 11.054 444 HH11 ARG 63 1HH1 ARG 63 -13.262 4.288 13.344 445 HH12 ARG 63 2HH1 ARG 63 -13.715 3.224 14.634 446 HH21 ARG 63 1HH2 ARG 63 -13.342 0.306 12.744 447 HH22 ARG 63 2HH2 ARG 63 -13.760 0.959 14.292 448 H LEU 64 H LEU 64 -9.158 3.818 8.305 449 HA LEU 64 HA LEU 64 -9.872 6.517 7.582 450 HB2 LEU 64 1HB LEU 64 -7.343 5.326 8.705 451 HB3 LEU 64 2HB LEU 64 -7.581 7.048 8.416 452 HG LEU 64 HG LEU 64 -9.030 5.312 10.410 453 HD11 LEU 64 1HD1 LEU 64 -7.392 7.782 10.900 454 HD12 LEU 64 2HD1 LEU 64 -6.690 6.164 10.896 455 HD13 LEU 64 3HD1 LEU 64 -7.943 6.578 12.066 456 HD21 LEU 64 3HD2 LEU 64 -10.025 7.592 11.064 457 HD22 LEU 64 1HD2 LEU 64 -10.708 6.749 9.674 458 HD23 LEU 64 2HD2 LEU 64 -9.588 8.090 9.429 459 H PHE 65 H PHE 65 -7.864 3.949 6.312 460 HA PHE 65 HA PHE 65 -7.176 5.684 4.030 461 HB2 PHE 65 1HB PHE 65 -5.594 3.391 5.209 462 HB3 PHE 65 2HB PHE 65 -5.173 4.234 3.721 463 HD1 PHE 65 1HD PHE 65 -4.407 6.560 3.786 464 HD2 PHE 65 2HD PHE 65 -5.185 4.364 7.348 465 HE1 PHE 65 1HE PHE 65 -3.147 8.227 5.085 466 HE2 PHE 65 2HE PHE 65 -3.927 6.028 8.653 467 HZ PHE 65 HZ PHE 65 -2.907 7.963 7.522 468 H ALA 66 H ALA 66 -7.460 4.894 1.977 469 HA ALA 66 HA ALA 66 -8.871 2.312 1.780 470 HB1 ALA 66 3HB ALA 66 -9.679 4.879 0.950 471 HB2 ALA 66 1HB ALA 66 -9.333 3.955 -0.512 472 HB3 ALA 66 2HB ALA 66 -10.491 3.339 0.668 473 H LEU 67 H LEU 67 -7.712 0.773 0.844 474 HA LEU 67 HA LEU 67 -5.547 1.517 -0.984 475 HB2 LEU 67 1HB LEU 67 -4.767 0.117 0.734 476 HB3 LEU 67 2HB LEU 67 -6.159 -0.957 0.600 477 HG LEU 67 HG LEU 67 -5.204 -1.502 -1.748 478 HD11 LEU 67 1HD1 LEU 67 -3.355 0.408 -1.001 479 HD12 LEU 67 2HD1 LEU 67 -3.194 -0.744 -2.326 480 HD13 LEU 67 3HD1 LEU 67 -2.511 -1.119 -0.743 481 HD21 LEU 67 3HD2 LEU 67 -4.256 -3.399 -0.873 482 HD22 LEU 67 1HD2 LEU 67 -5.214 -2.850 0.503 483 HD23 LEU 67 2HD2 LEU 67 -3.480 -2.533 0.454 484 H ASN 68 H ASN 68 -5.436 0.808 -3.074 485 HA ASN 68 HA ASN 68 -7.893 -0.396 -4.142 486 HB2 ASN 68 1HB ASN 68 -5.866 1.500 -5.235 487 HB3 ASN 68 2HB ASN 68 -6.679 0.422 -6.366 488 HD21 ASN 68 1HD2 ASN 68 -7.706 2.158 -7.364 489 HD22 ASN 68 2HD2 ASN 68 -9.034 2.980 -6.627 490 H ASN 69 H ASN 69 -7.843 -2.199 -5.449 491 HA ASN 69 HA ASN 69 -5.337 -3.727 -5.368 492 HB2 ASN 69 1HB ASN 69 -7.939 -4.983 -6.125 493 HB3 ASN 69 2HB ASN 69 -6.574 -5.673 -5.251 494 HD21 ASN 69 1HD2 ASN 69 -6.977 -6.077 -3.214 495 HD22 ASN 69 2HD2 ASN 69 -8.061 -5.203 -2.190 496 H THR 70 H THR 70 -6.880 -1.749 -7.418 497 HA THR 70 HA THR 70 -6.290 -3.352 -9.813 498 HB THR 70 HB THR 70 -7.674 -1.776 -11.064 499 HG1 THR 70 1HG THR 70 -7.606 -0.397 -8.627 500 HG21 THR 70 3HG2 THR 70 -9.394 -2.374 -8.715 501 HG22 THR 70 1HG2 THR 70 -8.598 -3.729 -9.514 502 HG23 THR 70 2HG2 THR 70 -9.677 -2.676 -10.429 503 H THR 71 H THR 71 -5.445 -0.467 -8.069 504 HA THR 71 HA THR 71 -3.473 0.189 -10.161 505 HB THR 71 HB THR 71 -3.520 2.526 -9.120 506 HG1 THR 71 1HG THR 71 -4.984 2.924 -7.634 507 HG21 THR 71 3HG2 THR 71 -5.963 2.832 -10.241 508 HG22 THR 71 1HG2 THR 71 -5.507 1.259 -10.893 509 HG23 THR 71 2HG2 THR 71 -4.472 2.660 -11.167 510 H GLY 72 H GLY 72 -4.072 -0.360 -6.774 511 HA2 GLY 72 1HA GLY 72 -2.565 -0.976 -5.129 512 HA3 GLY 72 2HA GLY 72 -1.268 -0.800 -6.302 513 H LEU 73 H LEU 73 -3.624 1.663 -5.386 514 HA LEU 73 HA LEU 73 -1.399 3.256 -4.292 515 HB2 LEU 73 1HB LEU 73 -2.094 4.370 -6.219 516 HB3 LEU 73 2HB LEU 73 -3.795 4.022 -5.918 517 HG LEU 73 HG LEU 73 -3.409 5.589 -3.838 518 HD11 LEU 73 1HD1 LEU 73 -1.398 6.520 -3.743 519 HD12 LEU 73 2HD1 LEU 73 -1.792 7.393 -5.223 520 HD13 LEU 73 3HD1 LEU 73 -0.949 5.847 -5.310 521 HD21 LEU 73 3HD2 LEU 73 -3.900 7.556 -5.437 522 HD22 LEU 73 1HD2 LEU 73 -5.040 6.211 -5.367 523 HD23 LEU 73 2HD2 LEU 73 -3.891 6.325 -6.701 524 H ILE 74 H ILE 74 -1.632 4.214 -2.330 525 HA ILE 74 HA ILE 74 -4.072 3.538 -0.835 526 HB ILE 74 HB ILE 74 -1.267 4.118 0.101 527 HG12 ILE 74 1HG1 ILE 74 -3.038 1.712 0.560 528 HG13 ILE 74 2HG1 ILE 74 -1.854 1.821 -0.738 529 HG21 ILE 74 1HG2 ILE 74 -2.814 3.336 2.294 530 HG22 ILE 74 2HG2 ILE 74 -2.101 4.920 1.996 531 HG23 ILE 74 3HG2 ILE 74 -3.751 4.583 1.472 532 HD11 ILE 74 3HD1 ILE 74 -0.078 1.623 0.682 533 HD12 ILE 74 1HD1 ILE 74 -0.957 2.295 2.055 534 HD13 ILE 74 2HD1 ILE 74 -1.280 0.644 1.525 535 H THR 75 H THR 75 -5.478 5.145 -0.661 536 HA THR 75 HA THR 75 -4.446 7.887 -0.325 537 HB THR 75 HB THR 75 -6.727 8.585 -1.264 538 HG1 THR 75 1HG THR 75 -7.912 6.774 -1.401 539 HG21 THR 75 3HG2 THR 75 -4.296 7.774 -2.576 540 HG22 THR 75 1HG2 THR 75 -5.374 9.117 -2.955 541 HG23 THR 75 2HG2 THR 75 -5.680 7.520 -3.639 542 H VAL 76 H VAL 76 -6.126 9.347 0.748 543 HA VAL 76 HA VAL 76 -6.890 8.104 3.244 544 HB VAL 76 HB VAL 76 -7.195 10.970 2.336 545 HG11 VAL 76 1HG1 VAL 76 -7.088 10.944 5.084 546 HG12 VAL 76 2HG1 VAL 76 -8.547 11.131 4.108 547 HG13 VAL 76 3HG1 VAL 76 -8.085 9.539 4.711 548 HG21 VAL 76 3HG2 VAL 76 -5.111 11.411 3.086 549 HG22 VAL 76 1HG2 VAL 76 -5.220 10.235 4.396 550 HG23 VAL 76 2HG2 VAL 76 -4.854 9.698 2.757 551 H GLN 77 H GLN 77 -8.923 7.732 3.983 552 HA GLN 77 HA GLN 77 -11.104 8.116 2.048 553 HB2 GLN 77 1HB GLN 77 -10.401 5.782 2.966 554 HB3 GLN 77 2HB GLN 77 -11.268 6.279 4.413 555 HG2 GLN 77 1HG GLN 77 -13.315 6.337 3.321 556 HG3 GLN 77 2HG GLN 77 -12.570 6.422 1.726 557 HE21 GLN 77 1HE2 GLN 77 -12.944 4.306 4.532 558 HE22 GLN 77 2HE2 GLN 77 -12.933 2.827 3.640 559 H ARG 78 H ARG 78 -10.208 8.511 5.436 560 HA ARG 78 HA ARG 78 -12.245 10.577 5.699 561 HB2 ARG 78 1HB ARG 78 -12.065 8.187 7.540 562 HB3 ARG 78 2HB ARG 78 -13.002 9.635 7.882 563 HG2 ARG 78 1HG ARG 78 -14.581 9.159 6.277 564 HG3 ARG 78 2HG ARG 78 -13.480 8.142 5.346 565 HD2 ARG 78 1HD ARG 78 -14.914 6.600 6.322 566 HD3 ARG 78 2HD ARG 78 -13.527 6.595 7.411 567 HE ARG 78 HE ARG 78 -15.355 8.482 8.352 568 HH11 ARG 78 1HH1 ARG 78 -15.117 5.037 7.911 569 HH12 ARG 78 2HH1 ARG 78 -16.177 4.664 9.229 570 HH21 ARG 78 1HH2 ARG 78 -16.752 8.004 10.090 571 HH22 ARG 78 2HH2 ARG 78 -17.108 6.352 10.467 572 H SER 79 H SER 79 -11.873 12.025 7.451 573 HA SER 79 HA SER 79 -9.365 12.942 7.827 574 HB2 SER 79 1HB SER 79 -11.817 13.075 9.520 575 HB3 SER 79 2HB SER 79 -10.303 13.649 10.218 576 HG SER 79 HG SER 79 -10.230 14.784 7.986 577 H LEU 80 H LEU 80 -7.741 12.772 9.423 578 HA LEU 80 HA LEU 80 -7.636 10.123 10.690 579 HB2 LEU 80 1HB LEU 80 -5.336 12.005 10.227 580 HB3 LEU 80 2HB LEU 80 -5.265 10.294 10.644 581 HG LEU 80 HG LEU 80 -6.542 11.081 8.069 582 HD11 LEU 80 1HD1 LEU 80 -3.800 11.681 8.787 583 HD12 LEU 80 2HD1 LEU 80 -4.720 12.138 7.354 584 HD13 LEU 80 3HD1 LEU 80 -3.904 10.576 7.416 585 HD21 LEU 80 3HD2 LEU 80 -5.967 8.698 9.329 586 HD22 LEU 80 1HD2 LEU 80 -4.668 8.860 8.146 587 HD23 LEU 80 2HD2 LEU 80 -6.351 8.905 7.619 588 H ASP 81 H ASP 81 -6.624 9.953 12.806 589 HA ASP 81 HA ASP 81 -7.023 12.375 14.438 590 HB2 ASP 81 1HB ASP 81 -7.817 9.527 14.931 591 HB3 ASP 81 2HB ASP 81 -7.469 10.583 16.297 592 H ARG 82 H ARG 82 -5.154 13.116 15.174 593 HA ARG 82 HA ARG 82 -2.842 11.388 15.376 594 HB2 ARG 82 1HB ARG 82 -3.014 13.918 14.610 595 HB3 ARG 82 2HB ARG 82 -2.808 14.214 16.331 596 HG2 ARG 82 1HG ARG 82 -0.929 12.630 14.590 597 HG3 ARG 82 2HG ARG 82 -0.685 14.293 15.130 598 HD2 ARG 82 1HD ARG 82 -0.920 13.359 17.501 599 HD3 ARG 82 2HD ARG 82 -0.705 11.773 16.762 600 HE ARG 82 HE ARG 82 1.372 13.392 15.871 601 HH11 ARG 82 1HH1 ARG 82 0.213 12.051 18.868 602 HH12 ARG 82 2HH1 ARG 82 1.785 11.977 19.594 603 HH21 ARG 82 1HH2 ARG 82 3.446 13.300 16.816 604 HH22 ARG 82 2HH2 ARG 82 3.623 12.689 18.426 605 H GLU 83 H GLU 83 -5.052 13.077 17.523 606 HA GLU 83 HA GLU 83 -3.675 12.868 19.924 607 HB2 GLU 83 1HB GLU 83 -5.971 12.841 20.980 608 HB3 GLU 83 2HB GLU 83 -5.659 14.171 19.873 609 HG2 GLU 83 1HG GLU 83 -6.966 13.167 18.165 610 HG3 GLU 83 2HG GLU 83 -7.093 11.657 19.065 611 H GLU 84 H GLU 84 -5.048 10.404 17.991 612 HA GLU 84 HA GLU 84 -5.019 8.486 20.210 613 HB2 GLU 84 1HB GLU 84 -7.004 8.688 18.611 614 HB3 GLU 84 2HB GLU 84 -5.965 7.950 17.400 615 HG2 GLU 84 1HG GLU 84 -7.245 6.204 18.301 616 HG3 GLU 84 2HG GLU 84 -5.642 6.042 19.016 617 H THR 85 H THR 85 -4.065 8.483 16.770 618 HA THR 85 HA THR 85 -1.619 7.037 17.546 619 HB THR 85 HB THR 85 -3.078 5.402 16.539 620 HG1 THR 85 1HG THR 85 -0.718 5.775 15.796 621 HG21 THR 85 3HG2 THR 85 -3.943 5.666 14.258 622 HG22 THR 85 1HG2 THR 85 -3.277 7.297 14.194 623 HG23 THR 85 2HG2 THR 85 -4.570 6.916 15.332 624 H ALA 86 H ALA 86 0.237 7.477 16.345 625 HA ALA 86 HA ALA 86 0.047 9.839 14.591 626 HB1 ALA 86 3HB ALA 86 1.390 9.692 16.959 627 HB2 ALA 86 1HB ALA 86 2.661 9.313 15.797 628 HB3 ALA 86 2HB ALA 86 1.757 10.821 15.655 629 H ILE 87 H ILE 87 1.476 6.679 15.084 630 HA ILE 87 HA ILE 87 2.678 6.824 12.400 631 HB ILE 87 HB ILE 87 3.325 4.887 14.625 632 HG12 ILE 87 1HG1 ILE 87 4.006 7.273 15.039 633 HG13 ILE 87 2HG1 ILE 87 5.345 6.133 14.975 634 HG21 ILE 87 1HG2 ILE 87 3.622 4.241 12.134 635 HG22 ILE 87 2HG2 ILE 87 4.987 5.354 12.183 636 HG23 ILE 87 3HG2 ILE 87 4.949 3.958 13.259 637 HD11 ILE 87 3HD1 ILE 87 6.124 6.958 12.980 638 HD12 ILE 87 1HD1 ILE 87 4.555 7.611 12.512 639 HD13 ILE 87 2HD1 ILE 87 5.510 8.417 13.756 640 H HIS 88 H HIS 88 1.756 5.696 10.826 641 HA HIS 88 HA HIS 88 -0.022 3.462 11.558 642 HB2 HIS 88 1HB HIS 88 -0.281 5.598 9.468 643 HB3 HIS 88 2HB HIS 88 -1.065 4.040 9.232 644 HD1 HIS 88 1HD HIS 88 -2.821 3.356 11.164 645 HD2 HIS 88 2HD HIS 88 -1.660 7.343 11.044 646 HE1 HIS 88 1HE HIS 88 -4.543 4.599 12.512 647 HE2 HIS 88 2HE HIS 88 -3.867 7.020 12.353 648 H LYS 89 H LYS 89 0.858 1.574 11.062 649 HA LYS 89 HA LYS 89 2.654 1.405 8.740 650 HB2 LYS 89 1HB LYS 89 2.360 -0.563 11.014 651 HB3 LYS 89 2HB LYS 89 3.592 -0.580 9.758 652 HG2 LYS 89 1HG LYS 89 4.117 1.817 10.718 653 HG3 LYS 89 2HG LYS 89 3.348 1.150 12.160 654 HD2 LYS 89 1HD LYS 89 4.976 -0.483 12.427 655 HD3 LYS 89 2HD LYS 89 5.479 -0.397 10.737 656 HE2 LYS 89 1HE LYS 89 6.128 2.068 11.420 657 HE3 LYS 89 2HE LYS 89 6.195 1.359 13.032 658 HZ1 LYS 89 3HZ LYS 89 8.294 1.377 11.532 659 HZ2 LYS 89 1HZ LYS 89 7.582 0.021 10.814 660 HZ3 LYS 89 2HZ LYS 89 7.944 0.010 12.466 661 H VAL 90 H VAL 90 1.710 0.679 6.956 662 HA VAL 90 HA VAL 90 -0.352 -1.414 7.210 663 HB VAL 90 HB VAL 90 -0.095 0.659 5.026 664 HG11 VAL 90 1HG1 VAL 90 -0.988 -1.551 4.308 665 HG12 VAL 90 2HG1 VAL 90 -2.291 -1.355 5.483 666 HG13 VAL 90 3HG1 VAL 90 -2.138 -0.226 4.137 667 HG21 VAL 90 3HG2 VAL 90 -2.154 1.599 5.941 668 HG22 VAL 90 1HG2 VAL 90 -2.137 0.398 7.232 669 HG23 VAL 90 2HG2 VAL 90 -0.864 1.617 7.143 670 H THR 91 H THR 91 -0.036 -3.284 6.165 671 HA THR 91 HA THR 91 2.338 -3.494 4.440 672 HB THR 91 HB THR 91 0.894 -5.755 5.830 673 HG1 THR 91 1HG THR 91 1.820 -4.398 7.391 674 HG21 THR 91 3HG2 THR 91 3.005 -6.969 5.390 675 HG22 THR 91 1HG2 THR 91 3.594 -5.574 4.488 676 HG23 THR 91 2HG2 THR 91 2.189 -6.470 3.908 677 H VAL 92 H VAL 92 2.130 -4.037 2.358 678 HA VAL 92 HA VAL 92 -0.546 -4.821 1.407 679 HB VAL 92 HB VAL 92 1.681 -3.441 -0.099 680 HG11 VAL 92 1HG1 VAL 92 -0.864 -4.692 -0.959 681 HG12 VAL 92 2HG1 VAL 92 -0.425 -3.153 -1.702 682 HG13 VAL 92 3HG1 VAL 92 0.668 -4.533 -1.816 683 HG21 VAL 92 3HG2 VAL 92 0.447 -2.069 1.594 684 HG22 VAL 92 1HG2 VAL 92 0.307 -1.488 -0.066 685 HG23 VAL 92 2HG2 VAL 92 -1.028 -2.370 0.676 686 H LEU 93 H LEU 93 -0.777 -6.521 -0.024 687 HA LEU 93 HA LEU 93 1.627 -8.154 -0.501 688 HB2 LEU 93 1HB LEU 93 -1.138 -9.071 0.266 689 HB3 LEU 93 2HB LEU 93 0.136 -10.148 -0.301 690 HG LEU 93 HG LEU 93 0.542 -8.428 2.121 691 HD11 LEU 93 1HD1 LEU 93 -1.578 -9.761 2.338 692 HD12 LEU 93 2HD1 LEU 93 -0.336 -10.111 3.540 693 HD13 LEU 93 3HD1 LEU 93 -0.590 -11.215 2.188 694 HD21 LEU 93 3HD2 LEU 93 1.778 -10.896 0.958 695 HD22 LEU 93 1HD2 LEU 93 1.949 -10.516 2.672 696 HD23 LEU 93 2HD2 LEU 93 2.550 -9.390 1.455 697 H ALA 94 H ALA 94 2.000 -8.611 -2.566 698 HA ALA 94 HA ALA 94 -0.190 -8.221 -4.497 699 HB1 ALA 94 3HB ALA 94 2.587 -7.393 -4.474 700 HB2 ALA 94 1HB ALA 94 2.169 -8.273 -5.945 701 HB3 ALA 94 2HB ALA 94 1.251 -6.840 -5.484 702 H SER 95 H SER 95 -1.005 -10.004 -5.358 703 HA SER 95 HA SER 95 0.709 -12.395 -5.537 704 HB2 SER 95 1HB SER 95 -1.197 -13.765 -5.194 705 HB3 SER 95 2HB SER 95 -1.337 -12.470 -4.006 706 HG SER 95 HG SER 95 -2.868 -12.988 -6.271 707 H ASP 96 H ASP 96 0.548 -13.711 -7.392 708 HA ASP 96 HA ASP 96 -0.513 -12.302 -9.751 709 HB2 ASP 96 1HB ASP 96 1.755 -14.299 -9.590 710 HB3 ASP 96 2HB ASP 96 1.184 -13.515 -11.060 711 H GLY 97 H GLY 97 0.213 -15.623 -8.651 712 HA2 GLY 97 1HA GLY 97 -2.353 -16.645 -8.957 713 HA3 GLY 97 2HA GLY 97 -1.548 -16.850 -10.506 714 H SER 98 H SER 98 0.940 -17.587 -9.950 715 HA SER 98 HA SER 98 0.661 -19.956 -8.219 716 HB2 SER 98 1HB SER 98 2.061 -19.734 -10.892 717 HB3 SER 98 2HB SER 98 2.194 -21.127 -9.819 718 HG SER 98 HG SER 98 -0.107 -20.152 -11.146 719 H SER 99 H SER 99 1.595 -17.752 -7.042 720 HA SER 99 HA SER 99 4.244 -18.502 -6.283 721 HB2 SER 99 1HB SER 99 3.868 -15.905 -7.790 722 HB3 SER 99 2HB SER 99 5.307 -16.311 -6.855 723 HG SER 99 HG SER 99 5.973 -17.390 -8.516 724 H THR 100 H THR 100 4.874 -17.587 -4.333 725 HA THR 100 HA THR 100 2.828 -16.743 -2.608 726 HB THR 100 HB THR 100 4.686 -16.168 -1.019 727 HG1 THR 100 1HG THR 100 6.521 -15.731 -1.983 728 HG21 THR 100 3HG2 THR 100 3.786 -18.404 -1.016 729 HG22 THR 100 1HG2 THR 100 5.538 -18.502 -0.845 730 HG23 THR 100 2HG2 THR 100 4.782 -18.852 -2.400 731 HA PRO 101 HA PRO 101 2.536 -12.416 -3.374 732 HB2 PRO 101 1HB PRO 101 1.530 -11.623 -0.980 733 HB3 PRO 101 2HB PRO 101 0.572 -12.491 -2.185 734 HG2 PRO 101 1HG PRO 101 1.939 -13.541 0.262 735 HG3 PRO 101 2HG PRO 101 0.324 -13.918 -0.365 736 HD2 PRO 101 1HD PRO 101 2.450 -15.553 -0.737 737 HD3 PRO 101 2HD PRO 101 1.140 -15.404 -1.927 738 H ALA 102 H ALA 102 3.680 -10.546 -3.044 739 HA ALA 102 HA ALA 102 6.087 -10.773 -1.444 740 HB1 ALA 102 3HB ALA 102 6.465 -9.875 -3.582 741 HB2 ALA 102 1HB ALA 102 5.112 -8.752 -3.441 742 HB3 ALA 102 2HB ALA 102 6.571 -8.501 -2.481 743 H ARG 103 H ARG 103 6.732 -9.259 0.145 744 HA ARG 103 HA ARG 103 4.465 -8.000 1.527 745 HB2 ARG 103 1HB ARG 103 7.185 -8.731 2.628 746 HB3 ARG 103 2HB ARG 103 5.818 -8.118 3.549 747 HG2 ARG 103 1HG ARG 103 4.548 -10.160 2.871 748 HG3 ARG 103 2HG ARG 103 6.043 -10.779 2.167 749 HD2 ARG 103 1HD ARG 103 6.069 -9.828 4.989 750 HD3 ARG 103 2HD ARG 103 5.334 -11.389 4.629 751 HE ARG 103 HE ARG 103 8.120 -10.771 4.657 752 HH11 ARG 103 1HH1 ARG 103 5.705 -12.790 3.170 753 HH12 ARG 103 2HH1 ARG 103 6.820 -14.054 2.771 754 HH21 ARG 103 1HH2 ARG 103 9.598 -12.429 4.137 755 HH22 ARG 103 2HH2 ARG 103 9.034 -13.848 3.322 756 H ALA 104 H ALA 104 4.415 -5.856 1.905 757 HA ALA 104 HA ALA 104 6.831 -4.266 1.440 758 HB1 ALA 104 3HB ALA 104 5.978 -2.965 -0.223 759 HB2 ALA 104 1HB ALA 104 5.150 -4.478 -0.594 760 HB3 ALA 104 2HB ALA 104 4.308 -3.205 0.291 761 H THR 105 H THR 105 7.138 -3.041 3.169 762 HA THR 105 HA THR 105 4.842 -2.304 4.833 763 HB THR 105 HB THR 105 7.797 -2.128 5.455 764 HG1 THR 105 1HG THR 105 5.951 -3.906 6.651 765 HG21 THR 105 3HG2 THR 105 6.730 -2.015 7.845 766 HG22 THR 105 1HG2 THR 105 5.327 -1.402 6.972 767 HG23 THR 105 2HG2 THR 105 6.870 -0.554 6.867 768 H VAL 106 H VAL 106 4.228 -0.234 5.175 769 HA VAL 106 HA VAL 106 5.868 1.902 3.981 770 HB VAL 106 HB VAL 106 2.862 1.649 3.809 771 HG11 VAL 106 1HG1 VAL 106 2.709 3.813 3.273 772 HG12 VAL 106 2HG1 VAL 106 4.315 3.977 3.985 773 HG13 VAL 106 3HG1 VAL 106 4.141 3.747 2.245 774 HG21 VAL 106 3HG2 VAL 106 3.197 1.465 1.421 775 HG22 VAL 106 1HG2 VAL 106 4.939 1.650 1.622 776 HG23 VAL 106 2HG2 VAL 106 4.128 0.213 2.245 777 H THR 107 H THR 107 6.509 3.226 5.537 778 HA THR 107 HA THR 107 5.021 3.434 8.019 779 HB THR 107 HB THR 107 7.535 4.939 7.303 780 HG1 THR 107 1HG THR 107 8.535 3.085 7.379 781 HG21 THR 107 3HG2 THR 107 6.085 5.477 9.371 782 HG22 THR 107 1HG2 THR 107 7.819 5.256 9.599 783 HG23 THR 107 2HG2 THR 107 6.702 3.955 10.013 784 H ILE 108 H ILE 108 3.591 4.976 8.451 785 HA ILE 108 HA ILE 108 3.632 7.422 6.807 786 HB ILE 108 HB ILE 108 1.212 6.200 8.135 787 HG12 ILE 108 1HG1 ILE 108 1.672 6.233 5.171 788 HG13 ILE 108 2HG1 ILE 108 2.366 4.944 6.149 789 HG21 ILE 108 1HG2 ILE 108 -0.061 7.795 6.880 790 HG22 ILE 108 2HG2 ILE 108 1.197 8.660 7.761 791 HG23 ILE 108 3HG2 ILE 108 1.382 8.353 6.034 792 HD11 ILE 108 3HD1 ILE 108 0.249 4.168 6.806 793 HD12 ILE 108 1HD1 ILE 108 -0.553 5.627 6.227 794 HD13 ILE 108 2HD1 ILE 108 0.131 4.480 5.074 795 H ASN 109 H ASN 109 4.041 9.246 7.856 796 HA ASN 109 HA ASN 109 3.776 9.275 10.782 797 HB2 ASN 109 1HB ASN 109 5.478 10.897 8.889 798 HB3 ASN 109 2HB ASN 109 5.283 11.319 10.587 799 HD21 ASN 109 1HD2 ASN 109 5.853 8.339 8.740 800 HD22 ASN 109 2HD2 ASN 109 7.184 7.800 9.701 801 H VAL 110 H VAL 110 2.396 10.621 11.775 802 HA VAL 110 HA VAL 110 0.729 12.340 10.089 803 HB VAL 110 HB VAL 110 0.284 11.540 12.968 804 HG11 VAL 110 1HG1 VAL 110 -1.921 12.390 12.712 805 HG12 VAL 110 2HG1 VAL 110 -0.819 13.638 12.127 806 HG13 VAL 110 3HG1 VAL 110 -1.698 12.627 10.979 807 HG21 VAL 110 3HG2 VAL 110 0.314 9.684 11.183 808 HG22 VAL 110 1HG2 VAL 110 -1.078 9.785 12.262 809 HG23 VAL 110 2HG2 VAL 110 -1.191 10.407 10.615 810 H THR 111 H THR 111 1.268 14.408 9.959 811 HA THR 111 HA THR 111 2.758 15.656 12.150 812 HB THR 111 HB THR 111 3.271 17.454 10.591 813 HG1 THR 111 1HG THR 111 2.337 17.591 8.630 814 HG21 THR 111 3HG2 THR 111 4.374 15.030 10.533 815 HG22 THR 111 1HG2 THR 111 4.868 16.311 9.428 816 HG23 THR 111 2HG2 THR 111 3.740 15.067 8.888 817 H ASP 112 H ASP 112 2.208 17.941 12.675 818 HA ASP 112 HA ASP 112 -0.522 18.135 13.434 819 HB2 ASP 112 1HB ASP 112 1.614 19.156 14.541 820 HB3 ASP 112 2HB ASP 112 1.330 20.495 13.432 821 H VAL 113 H VAL 113 -1.633 20.396 13.038 822 HA VAL 113 HA VAL 113 -1.352 21.231 10.250 823 HB VAL 113 HB VAL 113 -3.983 21.194 10.226 824 HG11 VAL 113 1HG1 VAL 113 -1.999 19.676 9.079 825 HG12 VAL 113 2HG1 VAL 113 -3.064 18.463 9.792 826 HG13 VAL 113 3HG1 VAL 113 -3.708 19.639 8.645 827 HG21 VAL 113 3HG2 VAL 113 -3.925 20.284 12.635 828 HG22 VAL 113 1HG2 VAL 113 -5.033 19.536 11.484 829 HG23 VAL 113 2HG2 VAL 113 -3.511 18.742 11.887 830 H ASN 114 H ASN 114 -1.385 23.372 10.122 831 HA ASN 114 HA ASN 114 -2.198 24.941 12.414 832 HB2 ASN 114 1HB ASN 114 -0.118 25.456 11.150 833 HB3 ASN 114 2HB ASN 114 -1.104 25.868 9.750 834 HD21 ASN 114 1HD2 ASN 114 -2.035 27.831 9.629 835 HD22 ASN 114 2HD2 ASN 114 -1.872 29.061 10.831 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.380 -21.963 -26.832 2 HA2 GLY 1 1HA GLY 1 -10.754 -24.227 -27.655 3 HA3 GLY 1 2HA GLY 1 -10.304 -22.531 -27.745 4 H SER 2 H SER 2 -8.242 -23.527 -26.935 5 HA SER 2 HA SER 2 -8.100 -23.121 -24.075 6 HB2 SER 2 1HB SER 2 -7.362 -25.779 -25.319 7 HB3 SER 2 2HB SER 2 -6.897 -25.286 -23.691 8 HG SER 2 HG SER 2 -9.369 -26.068 -24.678 9 H SER 3 H SER 3 -6.059 -22.541 -23.367 10 HA SER 3 HA SER 3 -3.833 -22.644 -25.247 11 HB2 SER 3 1HB SER 3 -4.965 -20.071 -24.131 12 HB3 SER 3 2HB SER 3 -3.365 -20.196 -24.862 13 HG SER 3 HG SER 3 -5.651 -21.088 -26.245 14 H GLY 4 H GLY 4 -1.779 -21.888 -24.217 15 HA2 GLY 4 1HA GLY 4 -1.832 -22.150 -21.285 16 HA3 GLY 4 2HA GLY 4 -0.777 -23.189 -22.232 17 H SER 5 H SER 5 0.375 -21.688 -20.330 18 HA SER 5 HA SER 5 1.743 -19.590 -21.879 19 HB2 SER 5 1HB SER 5 0.620 -19.496 -19.115 20 HB3 SER 5 2HB SER 5 2.119 -18.623 -19.431 21 HG SER 5 HG SER 5 -0.115 -18.331 -21.124 22 H SER 6 H SER 6 3.898 -19.740 -21.962 23 HA SER 6 HA SER 6 5.291 -22.001 -21.241 24 HB2 SER 6 1HB SER 6 6.401 -19.198 -21.533 25 HB3 SER 6 2HB SER 6 7.347 -20.686 -21.594 26 HG SER 6 HG SER 6 6.178 -19.498 -23.597 27 H GLY 7 H GLY 7 6.900 -22.410 -19.621 28 HA2 GLY 7 1HA GLY 7 6.031 -21.731 -17.002 29 HA3 GLY 7 2HA GLY 7 7.491 -22.621 -17.409 30 H ASN 8 H ASN 8 6.131 -19.521 -16.661 31 HA ASN 8 HA ASN 8 8.704 -18.183 -16.975 32 HB2 ASN 8 1HB ASN 8 6.593 -17.078 -17.729 33 HB3 ASN 8 2HB ASN 8 6.067 -17.027 -16.049 34 HD21 ASN 8 1HD2 ASN 8 5.959 -14.760 -16.186 35 HD22 ASN 8 2HD2 ASN 8 7.386 -13.790 -16.115 36 H ASP 9 H ASP 9 9.925 -17.403 -15.308 37 HA ASP 9 HA ASP 9 8.987 -17.963 -12.575 38 HB2 ASP 9 1HB ASP 9 11.716 -18.554 -13.733 39 HB3 ASP 9 2HB ASP 9 11.351 -18.594 -12.011 40 H ASN 10 H ASN 10 8.645 -15.971 -11.792 41 HA ASN 10 HA ASN 10 10.844 -14.258 -11.261 42 HB2 ASN 10 1HB ASN 10 10.665 -13.510 -13.514 43 HB3 ASN 10 2HB ASN 10 8.908 -13.432 -13.423 44 HD21 ASN 10 1HD2 ASN 10 11.462 -11.554 -13.678 45 HD22 ASN 10 2HD2 ASN 10 10.951 -10.165 -12.786 46 H ARG 11 H ARG 11 10.416 -13.028 -9.516 47 HA ARG 11 HA ARG 11 7.652 -13.037 -8.526 48 HB2 ARG 11 1HB ARG 11 10.299 -12.693 -7.116 49 HB3 ARG 11 2HB ARG 11 8.748 -12.432 -6.328 50 HG2 ARG 11 1HG ARG 11 8.200 -14.669 -6.363 51 HG3 ARG 11 2HG ARG 11 9.285 -15.020 -7.711 52 HD2 ARG 11 1HD ARG 11 10.248 -15.963 -5.744 53 HD3 ARG 11 2HD ARG 11 11.203 -14.547 -6.180 54 HE ARG 11 HE ARG 11 9.191 -13.837 -4.327 55 HH11 ARG 11 1HH1 ARG 11 12.234 -15.514 -4.547 56 HH12 ARG 11 2HH1 ARG 11 12.675 -15.201 -2.901 57 HH21 ARG 11 1HH2 ARG 11 9.760 -13.418 -2.158 58 HH22 ARG 11 2HH2 ARG 11 11.266 -14.009 -1.543 59 HA PRO 12 HA PRO 12 7.254 -8.708 -9.225 60 HB2 PRO 12 1HB PRO 12 5.296 -8.167 -7.424 61 HB3 PRO 12 2HB PRO 12 4.996 -9.025 -8.941 62 HG2 PRO 12 1HG PRO 12 5.366 -10.127 -6.182 63 HG3 PRO 12 2HG PRO 12 4.187 -10.590 -7.423 64 HD2 PRO 12 1HD PRO 12 6.438 -12.017 -6.949 65 HD3 PRO 12 2HD PRO 12 5.708 -11.893 -8.562 66 H VAL 13 H VAL 13 9.202 -7.845 -8.505 67 HA VAL 13 HA VAL 13 9.708 -7.485 -5.684 68 HB VAL 13 HB VAL 13 11.768 -6.374 -6.374 69 HG11 VAL 13 1HG1 VAL 13 12.838 -8.247 -7.481 70 HG12 VAL 13 2HG1 VAL 13 11.683 -8.833 -6.283 71 HG13 VAL 13 3HG1 VAL 13 11.270 -8.867 -7.997 72 HG21 VAL 13 3HG2 VAL 13 10.546 -6.549 -9.115 73 HG22 VAL 13 1HG2 VAL 13 11.154 -5.124 -8.270 74 HG23 VAL 13 2HG2 VAL 13 12.280 -6.343 -8.867 75 H PHE 14 H PHE 14 8.875 -5.882 -4.536 76 HA PHE 14 HA PHE 14 7.435 -3.732 -5.639 77 HB2 PHE 14 1HB PHE 14 8.422 -4.435 -2.908 78 HB3 PHE 14 2HB PHE 14 7.829 -2.802 -3.193 79 HD1 PHE 14 1HD PHE 14 5.498 -2.664 -4.391 80 HD2 PHE 14 2HD PHE 14 6.932 -6.059 -2.261 81 HE1 PHE 14 1HE PHE 14 3.185 -3.451 -4.094 82 HE2 PHE 14 2HE PHE 14 4.622 -6.851 -1.961 83 HZ PHE 14 HZ PHE 14 2.745 -5.547 -2.879 84 H LYS 15 H LYS 15 8.290 -2.139 -6.794 85 HA LYS 15 HA LYS 15 10.837 -1.378 -7.168 86 HB2 LYS 15 1HB LYS 15 8.933 -0.372 -8.348 87 HB3 LYS 15 2HB LYS 15 8.504 0.527 -6.899 88 HG2 LYS 15 1HG LYS 15 9.626 2.073 -8.230 89 HG3 LYS 15 2HG LYS 15 10.837 1.552 -7.055 90 HD2 LYS 15 1HD LYS 15 12.008 0.310 -8.620 91 HD3 LYS 15 2HD LYS 15 10.612 0.152 -9.689 92 HE2 LYS 15 1HE LYS 15 12.082 2.731 -9.161 93 HE3 LYS 15 2HE LYS 15 12.372 1.684 -10.549 94 HZ1 LYS 15 3HZ LYS 15 9.697 2.046 -10.618 95 HZ2 LYS 15 1HZ LYS 15 10.818 2.921 -11.534 96 HZ3 LYS 15 2HZ LYS 15 10.238 3.555 -10.078 97 H GLU 16 H GLU 16 8.771 -0.172 -4.540 98 HA GLU 16 HA GLU 16 11.216 0.593 -3.095 99 HB2 GLU 16 1HB GLU 16 8.809 2.233 -3.699 100 HB3 GLU 16 2HB GLU 16 9.530 2.414 -2.106 101 HG2 GLU 16 1HG GLU 16 11.644 3.030 -3.082 102 HG3 GLU 16 2HG GLU 16 11.017 2.729 -4.702 103 H GLY 17 H GLY 17 11.336 -0.843 -1.486 104 HA2 GLY 17 1HA GLY 17 9.133 -2.201 -0.359 105 HA3 GLY 17 2HA GLY 17 10.751 -2.131 0.322 106 H GLN 18 H GLN 18 11.229 -0.632 1.913 107 HA GLN 18 HA GLN 18 8.915 0.406 3.321 108 HB2 GLN 18 1HB GLN 18 10.930 -0.814 4.375 109 HB3 GLN 18 2HB GLN 18 11.773 0.719 4.199 110 HG2 GLN 18 1HG GLN 18 10.502 1.763 5.787 111 HG3 GLN 18 2HG GLN 18 9.121 0.695 5.541 112 HE21 GLN 18 1HE2 GLN 18 8.872 0.199 7.688 113 HE22 GLN 18 2HE2 GLN 18 9.999 -0.769 8.569 114 H VAL 19 H VAL 19 8.208 2.419 3.128 115 HA VAL 19 HA VAL 19 10.116 4.536 2.404 116 HB VAL 19 HB VAL 19 7.325 4.374 1.269 117 HG11 VAL 19 1HG1 VAL 19 9.468 6.359 1.247 118 HG12 VAL 19 2HG1 VAL 19 8.829 5.982 -0.355 119 HG13 VAL 19 3HG1 VAL 19 7.746 6.545 0.919 120 HG21 VAL 19 3HG2 VAL 19 8.935 4.048 -0.874 121 HG22 VAL 19 1HG2 VAL 19 9.852 3.173 0.351 122 HG23 VAL 19 2HG2 VAL 19 8.185 2.715 0.004 123 H GLU 20 H GLU 20 9.885 6.419 3.491 124 HA GLU 20 HA GLU 20 7.736 6.530 5.491 125 HB2 GLU 20 1HB GLU 20 10.318 6.662 6.015 126 HB3 GLU 20 2HB GLU 20 10.107 8.348 5.563 127 HG2 GLU 20 1HG GLU 20 8.210 8.401 7.253 128 HG3 GLU 20 2HG GLU 20 8.830 6.853 7.826 129 H VAL 21 H VAL 21 6.203 8.040 5.377 130 HA VAL 21 HA VAL 21 6.634 10.338 3.582 131 HB VAL 21 HB VAL 21 4.125 10.244 3.177 132 HG11 VAL 21 1HG1 VAL 21 5.302 7.778 2.030 133 HG12 VAL 21 2HG1 VAL 21 4.475 9.119 1.233 134 HG13 VAL 21 3HG1 VAL 21 6.155 9.294 1.741 135 HG21 VAL 21 3HG2 VAL 21 2.893 8.343 3.676 136 HG22 VAL 21 1HG2 VAL 21 4.332 7.349 3.907 137 HG23 VAL 21 2HG2 VAL 21 3.883 8.547 5.121 138 H HIS 22 H HIS 22 5.475 12.269 4.117 139 HA HIS 22 HA HIS 22 4.669 12.404 6.949 140 HB2 HIS 22 1HB HIS 22 6.258 14.351 5.288 141 HB3 HIS 22 2HB HIS 22 5.452 14.839 6.775 142 HD1 HIS 22 1HD HIS 22 8.652 13.978 5.716 143 HD2 HIS 22 2HD HIS 22 6.312 12.753 8.923 144 HE1 HIS 22 1HE HIS 22 10.264 13.051 7.410 145 HE2 HIS 22 2HE HIS 22 8.818 12.238 9.305 146 H ILE 23 H ILE 23 2.518 12.553 6.979 147 HA ILE 23 HA ILE 23 1.249 14.509 5.176 148 HB ILE 23 HB ILE 23 0.722 12.095 4.640 149 HG12 ILE 23 1HG1 ILE 23 -1.560 13.910 5.450 150 HG13 ILE 23 2HG1 ILE 23 -0.717 13.930 3.905 151 HG21 ILE 23 1HG2 ILE 23 0.546 11.642 7.224 152 HG22 ILE 23 2HG2 ILE 23 -1.139 12.089 6.961 153 HG23 ILE 23 3HG2 ILE 23 -0.438 10.736 6.073 154 HD11 ILE 23 3HD1 ILE 23 -2.874 12.818 3.743 155 HD12 ILE 23 1HD1 ILE 23 -1.550 11.701 3.411 156 HD13 ILE 23 2HD1 ILE 23 -2.373 11.656 4.971 157 HA PRO 24 HA PRO 24 -0.126 16.445 8.901 158 HB2 PRO 24 1HB PRO 24 -2.023 18.047 7.802 159 HB3 PRO 24 2HB PRO 24 -0.291 18.365 7.651 160 HG2 PRO 24 1HG PRO 24 -2.160 17.087 5.693 161 HG3 PRO 24 2HG PRO 24 -0.886 18.286 5.404 162 HD2 PRO 24 1HD PRO 24 -0.543 15.648 4.903 163 HD3 PRO 24 2HD PRO 24 0.787 16.701 5.427 164 H GLU 25 H GLU 25 -1.741 16.207 10.394 165 HA GLU 25 HA GLU 25 -3.540 14.066 10.123 166 HB2 GLU 25 1HB GLU 25 -4.486 14.848 12.268 167 HB3 GLU 25 2HB GLU 25 -2.731 14.759 12.300 168 HG2 GLU 25 1HG GLU 25 -2.681 17.215 11.843 169 HG3 GLU 25 2HG GLU 25 -4.430 17.226 12.060 170 H ASN 26 H ASN 26 -3.880 17.499 9.557 171 HA ASN 26 HA ASN 26 -6.758 17.308 9.222 172 HB2 ASN 26 1HB ASN 26 -4.762 19.541 9.200 173 HB3 ASN 26 2HB ASN 26 -6.340 19.789 8.457 174 HD21 ASN 26 1HD2 ASN 26 -6.245 21.456 10.250 175 HD22 ASN 26 2HD2 ASN 26 -6.914 20.982 11.771 176 H ALA 27 H ALA 27 -4.617 16.018 7.428 177 HA ALA 27 HA ALA 27 -4.624 17.204 4.905 178 HB1 ALA 27 3HB ALA 27 -3.147 15.358 5.498 179 HB2 ALA 27 1HB ALA 27 -4.529 14.265 5.579 180 HB3 ALA 27 2HB ALA 27 -4.063 14.987 4.038 181 HA PRO 28 HA PRO 28 -8.767 16.747 3.481 182 HB2 PRO 28 1HB PRO 28 -8.310 16.870 0.808 183 HB3 PRO 28 2HB PRO 28 -8.219 18.284 1.864 184 HG2 PRO 28 1HG PRO 28 -6.008 16.570 0.799 185 HG3 PRO 28 2HG PRO 28 -6.089 18.336 0.932 186 HD2 PRO 28 1HD PRO 28 -4.742 16.802 2.711 187 HD3 PRO 28 2HD PRO 28 -5.541 18.319 3.171 188 H VAL 29 H VAL 29 -9.985 14.979 3.319 189 HA VAL 29 HA VAL 29 -9.009 12.403 2.939 190 HB VAL 29 HB VAL 29 -11.169 12.885 4.012 191 HG11 VAL 29 1HG1 VAL 29 -13.036 13.678 2.910 192 HG12 VAL 29 2HG1 VAL 29 -11.744 14.594 2.131 193 HG13 VAL 29 3HG1 VAL 29 -12.439 13.187 1.325 194 HG21 VAL 29 3HG2 VAL 29 -11.283 11.029 1.638 195 HG22 VAL 29 1HG2 VAL 29 -10.771 10.632 3.278 196 HG23 VAL 29 2HG2 VAL 29 -12.457 11.038 2.954 197 H GLY 30 H GLY 30 -8.543 11.193 1.207 198 HA2 GLY 30 1HA GLY 30 -8.999 10.422 -1.020 199 HA3 GLY 30 2HA GLY 30 -9.574 12.034 -1.418 200 H THR 31 H THR 31 -6.722 11.984 0.436 201 HA THR 31 HA THR 31 -5.203 12.954 -1.845 202 HB THR 31 HB THR 31 -4.418 12.777 1.071 203 HG1 THR 31 1HG THR 31 -6.182 14.295 0.247 204 HG21 THR 31 3HG2 THR 31 -2.861 14.711 -0.022 205 HG22 THR 31 1HG2 THR 31 -2.974 13.578 -1.367 206 HG23 THR 31 2HG2 THR 31 -2.354 13.036 0.193 207 H SER 32 H SER 32 -3.660 11.852 -2.885 208 HA SER 32 HA SER 32 -3.321 9.071 -2.417 209 HB2 SER 32 1HB SER 32 -1.783 9.120 -4.284 210 HB3 SER 32 2HB SER 32 -3.153 10.165 -4.661 211 HG SER 32 HG SER 32 -0.602 10.986 -3.722 212 H VAL 33 H VAL 33 -2.138 8.194 -0.866 213 HA VAL 33 HA VAL 33 -0.009 9.703 0.407 214 HB VAL 33 HB VAL 33 -1.076 6.945 1.026 215 HG11 VAL 33 1HG1 VAL 33 0.414 6.750 2.703 216 HG12 VAL 33 2HG1 VAL 33 1.356 7.891 1.740 217 HG13 VAL 33 3HG1 VAL 33 0.369 8.472 3.082 218 HG21 VAL 33 3HG2 VAL 33 -1.609 8.875 3.052 219 HG22 VAL 33 1HG2 VAL 33 -2.172 9.508 1.505 220 HG23 VAL 33 2HG2 VAL 33 -2.753 7.946 2.083 221 H ILE 34 H ILE 34 -0.205 6.319 -0.706 222 HA ILE 34 HA ILE 34 2.406 6.636 -1.997 223 HB ILE 34 HB ILE 34 2.802 5.715 0.273 224 HG12 ILE 34 1HG1 ILE 34 4.027 3.620 -0.556 225 HG13 ILE 34 2HG1 ILE 34 3.363 3.999 -2.142 226 HG21 ILE 34 1HG2 ILE 34 1.715 3.076 -0.408 227 HG22 ILE 34 2HG2 ILE 34 1.711 3.947 1.125 228 HG23 ILE 34 3HG2 ILE 34 0.503 4.321 -0.104 229 HD11 ILE 34 3HD1 ILE 34 5.732 4.800 -1.552 230 HD12 ILE 34 1HD1 ILE 34 4.630 5.922 -2.350 231 HD13 ILE 34 2HD1 ILE 34 4.910 6.045 -0.613 232 H GLN 35 H GLN 35 2.794 5.232 -3.715 233 HA GLN 35 HA GLN 35 0.489 3.598 -4.550 234 HB2 GLN 35 1HB GLN 35 0.499 5.448 -6.017 235 HB3 GLN 35 2HB GLN 35 2.251 5.425 -6.166 236 HG2 GLN 35 1HG GLN 35 1.469 4.583 -8.193 237 HG3 GLN 35 2HG GLN 35 1.969 3.159 -7.282 238 HE21 GLN 35 1HE2 GLN 35 -0.642 4.848 -8.737 239 HE22 GLN 35 2HE2 GLN 35 -1.864 3.663 -8.442 240 H LEU 36 H LEU 36 0.884 1.564 -5.254 241 HA LEU 36 HA LEU 36 3.664 0.637 -5.089 242 HB2 LEU 36 1HB LEU 36 1.084 -0.919 -5.000 243 HB3 LEU 36 2HB LEU 36 2.699 -1.606 -4.841 244 HG LEU 36 HG LEU 36 1.689 0.459 -2.911 245 HD11 LEU 36 1HD1 LEU 36 0.329 -0.962 -1.879 246 HD12 LEU 36 2HD1 LEU 36 1.528 -2.254 -1.931 247 HD13 LEU 36 3HD1 LEU 36 0.451 -1.996 -3.303 248 HD21 LEU 36 3HD2 LEU 36 3.827 -1.659 -2.871 249 HD22 LEU 36 1HD2 LEU 36 3.289 -0.802 -1.427 250 HD23 LEU 36 2HD2 LEU 36 4.024 0.090 -2.759 251 H HIS 37 H HIS 37 4.702 -0.202 -6.802 252 HA HIS 37 HA HIS 37 3.148 -0.675 -9.260 253 HB2 HIS 37 1HB HIS 37 4.708 1.453 -9.070 254 HB3 HIS 37 2HB HIS 37 5.974 0.283 -9.432 255 HD1 HIS 37 1HD HIS 37 3.119 2.103 -10.960 256 HD2 HIS 37 2HD HIS 37 5.858 -0.832 -12.030 257 HE1 HIS 37 1HE HIS 37 2.947 1.902 -13.461 258 HE2 HIS 37 2HE HIS 37 4.552 0.061 -14.076 259 H ALA 38 H ALA 38 3.142 -2.827 -9.472 260 HA ALA 38 HA ALA 38 5.725 -4.233 -9.261 261 HB1 ALA 38 3HB ALA 38 3.051 -5.492 -8.700 262 HB2 ALA 38 1HB ALA 38 4.654 -6.149 -8.373 263 HB3 ALA 38 2HB ALA 38 4.060 -4.770 -7.447 264 H THR 39 H THR 39 6.323 -4.400 -11.353 265 HA THR 39 HA THR 39 4.411 -5.678 -13.198 266 HB THR 39 HB THR 39 5.692 -4.520 -15.048 267 HG1 THR 39 1HG THR 39 7.490 -3.932 -13.631 268 HG21 THR 39 3HG2 THR 39 4.053 -2.994 -15.081 269 HG22 THR 39 1HG2 THR 39 4.600 -2.256 -13.576 270 HG23 THR 39 2HG2 THR 39 3.544 -3.669 -13.534 271 H ASP 40 H ASP 40 5.016 -7.689 -13.624 272 HA ASP 40 HA ASP 40 7.623 -8.686 -13.108 273 HB2 ASP 40 1HB ASP 40 6.813 -10.787 -13.933 274 HB3 ASP 40 2HB ASP 40 5.504 -10.035 -13.025 275 H ALA 41 H ALA 41 8.700 -10.080 -14.927 276 HA ALA 41 HA ALA 41 9.905 -8.381 -16.740 277 HB1 ALA 41 3HB ALA 41 10.500 -10.551 -17.972 278 HB2 ALA 41 1HB ALA 41 11.031 -10.375 -16.300 279 HB3 ALA 41 2HB ALA 41 9.621 -11.365 -16.678 280 H ASP 42 H ASP 42 8.898 -7.227 -18.255 281 HA ASP 42 HA ASP 42 6.459 -7.589 -19.402 282 HB2 ASP 42 1HB ASP 42 8.020 -5.621 -19.702 283 HB3 ASP 42 2HB ASP 42 8.835 -6.554 -20.954 284 H ILE 43 H ILE 43 9.537 -8.851 -20.659 285 HA ILE 43 HA ILE 43 8.375 -10.181 -22.880 286 HB ILE 43 HB ILE 43 10.751 -9.596 -22.832 287 HG12 ILE 43 1HG1 ILE 43 11.599 -12.050 -23.345 288 HG13 ILE 43 2HG1 ILE 43 9.886 -12.432 -23.208 289 HG21 ILE 43 1HG2 ILE 43 10.842 -10.324 -20.303 290 HG22 ILE 43 2HG2 ILE 43 11.364 -11.857 -20.999 291 HG23 ILE 43 3HG2 ILE 43 12.279 -10.385 -21.323 292 HD11 ILE 43 3HD1 ILE 43 10.746 -10.185 -24.962 293 HD12 ILE 43 1HD1 ILE 43 10.930 -11.849 -25.516 294 HD13 ILE 43 2HD1 ILE 43 9.334 -11.234 -25.084 295 H GLY 44 H GLY 44 6.991 -11.817 -22.730 296 HA2 GLY 44 1HA GLY 44 7.347 -14.332 -22.008 297 HA3 GLY 44 2HA GLY 44 7.106 -13.610 -20.424 298 H SER 45 H SER 45 5.070 -12.991 -19.784 299 HA SER 45 HA SER 45 2.865 -13.117 -21.667 300 HB2 SER 45 1HB SER 45 3.066 -15.006 -19.310 301 HB3 SER 45 2HB SER 45 1.605 -14.750 -20.264 302 HG SER 45 HG SER 45 2.948 -16.585 -20.893 303 H ASN 46 H ASN 46 1.425 -11.590 -21.199 304 HA ASN 46 HA ASN 46 1.737 -9.748 -19.156 305 HB2 ASN 46 1HB ASN 46 0.417 -9.172 -21.069 306 HB3 ASN 46 2HB ASN 46 -0.712 -10.488 -20.762 307 HD21 ASN 46 1HD2 ASN 46 0.375 -7.343 -19.730 308 HD22 ASN 46 2HD2 ASN 46 -1.016 -6.956 -18.780 309 H ALA 47 H ALA 47 1.122 -9.612 -17.078 310 HA ALA 47 HA ALA 47 -0.678 -11.693 -16.026 311 HB1 ALA 47 3HB ALA 47 1.907 -10.716 -14.833 312 HB2 ALA 47 1HB ALA 47 0.711 -11.652 -13.936 313 HB3 ALA 47 2HB ALA 47 1.503 -12.353 -15.349 314 H GLU 48 H GLU 48 -1.994 -11.098 -14.273 315 HA GLU 48 HA GLU 48 -2.267 -8.188 -13.921 316 HB2 GLU 48 1HB GLU 48 -4.333 -10.380 -13.672 317 HB3 GLU 48 2HB GLU 48 -4.628 -8.688 -13.297 318 HG2 GLU 48 1HG GLU 48 -4.469 -8.038 -15.525 319 HG3 GLU 48 2HG GLU 48 -3.634 -9.517 -15.994 320 H ILE 49 H ILE 49 -0.909 -7.897 -12.179 321 HA ILE 49 HA ILE 49 -1.078 -9.560 -9.838 322 HB ILE 49 HB ILE 49 0.336 -6.920 -10.236 323 HG12 ILE 49 1HG1 ILE 49 1.612 -9.643 -10.130 324 HG13 ILE 49 2HG1 ILE 49 1.005 -8.983 -11.644 325 HG21 ILE 49 1HG2 ILE 49 -0.289 -8.101 -7.855 326 HG22 ILE 49 2HG2 ILE 49 1.313 -8.758 -8.183 327 HG23 ILE 49 3HG2 ILE 49 1.072 -7.012 -8.122 328 HD11 ILE 49 3HD1 ILE 49 2.730 -7.583 -11.859 329 HD12 ILE 49 1HD1 ILE 49 2.733 -7.162 -10.147 330 HD13 ILE 49 2HD1 ILE 49 3.520 -8.644 -10.692 331 H ARG 50 H ARG 50 -2.414 -9.329 -8.172 332 HA ARG 50 HA ARG 50 -3.902 -6.800 -7.920 333 HB2 ARG 50 1HB ARG 50 -5.037 -9.148 -8.386 334 HB3 ARG 50 2HB ARG 50 -4.866 -9.319 -6.644 335 HG2 ARG 50 1HG ARG 50 -6.944 -8.403 -6.744 336 HG3 ARG 50 2HG ARG 50 -5.976 -6.931 -6.644 337 HD2 ARG 50 1HD ARG 50 -7.657 -6.710 -8.376 338 HD3 ARG 50 2HD ARG 50 -6.045 -6.738 -9.092 339 HE ARG 50 HE ARG 50 -6.545 -8.755 -10.095 340 HH11 ARG 50 1HH1 ARG 50 -9.042 -7.890 -7.828 341 HH12 ARG 50 2HH1 ARG 50 -10.142 -9.112 -8.374 342 HH21 ARG 50 1HH2 ARG 50 -7.985 -10.368 -10.822 343 HH22 ARG 50 2HH2 ARG 50 -9.539 -10.522 -10.076 344 H TYR 51 H TYR 51 -3.703 -5.650 -6.103 345 HA TYR 51 HA TYR 51 -2.090 -6.788 -3.935 346 HB2 TYR 51 1HB TYR 51 -2.837 -3.886 -4.196 347 HB3 TYR 51 2HB TYR 51 -1.467 -4.597 -3.350 348 HD1 TYR 51 1HD TYR 51 -2.839 -3.816 -6.693 349 HD2 TYR 51 2HD TYR 51 0.588 -5.001 -4.468 350 HE1 TYR 51 1HE TYR 51 -1.430 -3.435 -8.673 351 HE2 TYR 51 2HE TYR 51 2.007 -4.622 -6.441 352 HH TYR 51 HH TYR 51 0.888 -2.988 -9.225 353 H ILE 52 H ILE 52 -2.849 -7.026 -1.903 354 HA ILE 52 HA ILE 52 -5.498 -5.938 -1.257 355 HB ILE 52 HB ILE 52 -6.087 -8.075 -0.128 356 HG12 ILE 52 1HG1 ILE 52 -4.732 -10.076 -1.204 357 HG13 ILE 52 2HG1 ILE 52 -3.459 -8.866 -1.314 358 HG21 ILE 52 1HG2 ILE 52 -6.728 -7.390 -2.520 359 HG22 ILE 52 2HG2 ILE 52 -5.568 -8.616 -3.030 360 HG23 ILE 52 3HG2 ILE 52 -6.959 -9.073 -2.046 361 HD11 ILE 52 3HD1 ILE 52 -4.782 -9.038 1.296 362 HD12 ILE 52 1HD1 ILE 52 -3.871 -10.469 0.815 363 HD13 ILE 52 2HD1 ILE 52 -3.072 -8.898 0.890 364 H PHE 53 H PHE 53 -5.977 -6.076 1.103 365 HA PHE 53 HA PHE 53 -3.889 -4.923 2.598 366 HB2 PHE 53 1HB PHE 53 -6.634 -5.927 3.242 367 HB3 PHE 53 2HB PHE 53 -5.542 -5.513 4.560 368 HD1 PHE 53 2HD PHE 53 -4.252 -3.159 4.028 369 HD2 PHE 53 1HD PHE 53 -8.127 -4.295 2.683 370 HE1 PHE 53 2HE PHE 53 -4.859 -0.787 3.785 371 HE2 PHE 53 1HE PHE 53 -8.741 -1.925 2.438 372 HZ PHE 53 HZ PHE 53 -7.106 -0.168 2.990 373 H GLY 54 H GLY 54 -2.396 -5.748 3.949 374 HA2 GLY 54 1HA GLY 54 -1.617 -8.415 3.809 375 HA3 GLY 54 2HA GLY 54 -1.111 -7.291 5.061 376 H ALA 55 H ALA 55 -1.148 -9.431 6.248 377 HA ALA 55 HA ALA 55 -3.806 -10.304 7.055 378 HB1 ALA 55 3HB ALA 55 -2.695 -12.241 7.026 379 HB2 ALA 55 1HB ALA 55 -1.123 -11.443 7.094 380 HB3 ALA 55 2HB ALA 55 -2.030 -11.736 8.579 381 H GLN 56 H GLN 56 -4.429 -10.439 9.290 382 HA GLN 56 HA GLN 56 -4.883 -9.408 11.274 383 HB2 GLN 56 1HB GLN 56 -1.880 -9.595 11.276 384 HB3 GLN 56 2HB GLN 56 -2.759 -8.939 12.651 385 HG2 GLN 56 1HG GLN 56 -3.859 -10.994 13.047 386 HG3 GLN 56 2HG GLN 56 -3.315 -11.658 11.507 387 HE21 GLN 56 1HE2 GLN 56 -2.966 -12.507 14.359 388 HE22 GLN 56 2HE2 GLN 56 -1.264 -12.740 14.539 389 H VAL 57 H VAL 57 -5.249 -7.637 9.300 390 HA VAL 57 HA VAL 57 -3.789 -5.195 9.975 391 HB VAL 57 HB VAL 57 -5.808 -5.721 7.789 392 HG11 VAL 57 1HG1 VAL 57 -5.242 -3.298 8.896 393 HG12 VAL 57 2HG1 VAL 57 -4.062 -3.377 7.586 394 HG13 VAL 57 3HG1 VAL 57 -5.783 -3.547 7.237 395 HG21 VAL 57 3HG2 VAL 57 -2.970 -5.081 7.223 396 HG22 VAL 57 1HG2 VAL 57 -3.328 -6.694 7.840 397 HG23 VAL 57 2HG2 VAL 57 -4.092 -6.129 6.354 398 H ALA 58 H ALA 58 -4.570 -3.883 11.475 399 HA ALA 58 HA ALA 58 -7.051 -4.163 12.728 400 HB1 ALA 58 3HB ALA 58 -5.996 -2.836 14.158 401 HB2 ALA 58 1HB ALA 58 -4.775 -2.444 12.947 402 HB3 ALA 58 2HB ALA 58 -6.252 -1.485 13.054 403 HA PRO 59 HA PRO 59 -9.901 -2.229 9.987 404 HB2 PRO 59 1HB PRO 59 -11.814 -1.516 11.777 405 HB3 PRO 59 2HB PRO 59 -11.551 -3.188 11.266 406 HG2 PRO 59 1HG PRO 59 -10.619 -1.797 13.748 407 HG3 PRO 59 2HG PRO 59 -11.302 -3.423 13.566 408 HD2 PRO 59 1HD PRO 59 -8.643 -2.980 13.815 409 HD3 PRO 59 2HD PRO 59 -9.302 -4.322 12.857 410 H ALA 60 H ALA 60 -9.253 -0.473 13.020 411 HA ALA 60 HA ALA 60 -10.149 2.031 12.371 412 HB1 ALA 60 3HB ALA 60 -7.757 1.194 13.989 413 HB2 ALA 60 1HB ALA 60 -8.274 2.875 13.855 414 HB3 ALA 60 2HB ALA 60 -9.355 1.673 14.561 415 H THR 61 H THR 61 -7.083 0.538 11.444 416 HA THR 61 HA THR 61 -5.974 2.843 10.222 417 HB THR 61 HB THR 61 -5.354 -0.071 9.702 418 HG1 THR 61 1HG THR 61 -3.452 0.759 11.085 419 HG21 THR 61 3HG2 THR 61 -3.980 2.479 8.897 420 HG22 THR 61 1HG2 THR 61 -4.449 1.114 7.884 421 HG23 THR 61 2HG2 THR 61 -3.108 0.951 9.018 422 H LYS 62 H LYS 62 -7.468 -0.067 8.799 423 HA LYS 62 HA LYS 62 -7.413 0.728 6.142 424 HB2 LYS 62 1HB LYS 62 -9.236 -1.083 7.695 425 HB3 LYS 62 2HB LYS 62 -9.542 -0.761 5.993 426 HG2 LYS 62 1HG LYS 62 -7.379 -1.652 5.395 427 HG3 LYS 62 2HG LYS 62 -6.973 -1.879 7.098 428 HD2 LYS 62 1HD LYS 62 -9.381 -3.180 5.859 429 HD3 LYS 62 2HD LYS 62 -7.782 -3.923 5.783 430 HE2 LYS 62 1HE LYS 62 -7.646 -4.032 8.167 431 HE3 LYS 62 2HE LYS 62 -9.106 -3.062 8.348 432 HZ1 LYS 62 3HZ LYS 62 -9.353 -5.539 8.651 433 HZ2 LYS 62 1HZ LYS 62 -9.116 -5.688 6.983 434 HZ3 LYS 62 2HZ LYS 62 -10.437 -4.813 7.575 435 H ARG 63 H ARG 63 -9.669 1.567 8.695 436 HA ARG 63 HA ARG 63 -11.725 2.665 7.159 437 HB2 ARG 63 1HB ARG 63 -11.574 2.236 9.715 438 HB3 ARG 63 2HB ARG 63 -10.892 3.855 9.786 439 HG2 ARG 63 1HG ARG 63 -12.873 4.840 8.987 440 HG3 ARG 63 2HG ARG 63 -13.528 3.284 8.472 441 HD2 ARG 63 1HD ARG 63 -12.855 3.672 11.346 442 HD3 ARG 63 2HD ARG 63 -14.313 4.435 10.711 443 HE ARG 63 HE ARG 63 -14.535 1.882 9.854 444 HH11 ARG 63 1HH1 ARG 63 -13.934 3.310 12.971 445 HH12 ARG 63 2HH1 ARG 63 -14.699 2.029 13.851 446 HH21 ARG 63 1HH2 ARG 63 -15.545 0.188 11.001 447 HH22 ARG 63 2HH2 ARG 63 -15.614 0.253 12.729 448 H LEU 64 H LEU 64 -8.894 4.274 8.601 449 HA LEU 64 HA LEU 64 -9.471 6.810 7.454 450 HB2 LEU 64 1HB LEU 64 -7.063 5.598 8.759 451 HB3 LEU 64 2HB LEU 64 -6.976 7.190 8.009 452 HG LEU 64 HG LEU 64 -8.377 8.152 9.599 453 HD11 LEU 64 1HD1 LEU 64 -9.835 6.966 11.083 454 HD12 LEU 64 2HD1 LEU 64 -9.183 5.413 10.561 455 HD13 LEU 64 3HD1 LEU 64 -10.126 6.394 9.440 456 HD21 LEU 64 3HD2 LEU 64 -7.411 6.419 11.672 457 HD22 LEU 64 1HD2 LEU 64 -6.895 8.052 11.248 458 HD23 LEU 64 2HD2 LEU 64 -6.160 6.660 10.451 459 H PHE 65 H PHE 65 -7.045 4.325 6.653 460 HA PHE 65 HA PHE 65 -6.700 5.602 4.029 461 HB2 PHE 65 1HB PHE 65 -4.949 3.565 5.421 462 HB3 PHE 65 2HB PHE 65 -4.607 4.325 3.871 463 HD1 PHE 65 2HD PHE 65 -4.933 4.925 7.492 464 HD2 PHE 65 1HD PHE 65 -3.658 6.487 3.744 465 HE1 PHE 65 2HE PHE 65 -3.781 6.762 8.654 466 HE2 PHE 65 1HE PHE 65 -2.502 8.327 4.900 467 HZ PHE 65 HZ PHE 65 -2.564 8.466 7.358 468 H ALA 66 H ALA 66 -7.337 4.615 2.213 469 HA ALA 66 HA ALA 66 -8.466 1.911 2.459 470 HB1 ALA 66 3HB ALA 66 -9.202 3.061 -0.011 471 HB2 ALA 66 1HB ALA 66 -10.221 2.747 1.394 472 HB3 ALA 66 2HB ALA 66 -9.408 4.303 1.224 473 H LEU 67 H LEU 67 -8.225 0.460 0.606 474 HA LEU 67 HA LEU 67 -5.858 0.976 -1.044 475 HB2 LEU 67 1HB LEU 67 -5.025 -0.298 0.810 476 HB3 LEU 67 2HB LEU 67 -6.335 -1.466 0.655 477 HG LEU 67 HG LEU 67 -5.331 -1.978 -1.657 478 HD11 LEU 67 1HD1 LEU 67 -2.813 -0.918 -0.430 479 HD12 LEU 67 2HD1 LEU 67 -3.823 0.095 -1.461 480 HD13 LEU 67 3HD1 LEU 67 -3.125 -1.393 -2.099 481 HD21 LEU 67 3HD2 LEU 67 -4.163 -2.726 0.996 482 HD22 LEU 67 1HD2 LEU 67 -3.493 -3.381 -0.498 483 HD23 LEU 67 2HD2 LEU 67 -5.182 -3.677 -0.085 484 H ASN 68 H ASN 68 -6.245 0.552 -3.112 485 HA ASN 68 HA ASN 68 -8.637 -0.970 -3.816 486 HB2 ASN 68 1HB ASN 68 -6.924 1.035 -5.229 487 HB3 ASN 68 2HB ASN 68 -7.889 -0.086 -6.184 488 HD21 ASN 68 1HD2 ASN 68 -8.140 2.775 -5.998 489 HD22 ASN 68 2HD2 ASN 68 -9.732 3.098 -5.410 490 H ASN 69 H ASN 69 -8.589 -2.928 -4.739 491 HA ASN 69 HA ASN 69 -6.024 -4.245 -5.037 492 HB2 ASN 69 1HB ASN 69 -8.627 -5.569 -5.699 493 HB3 ASN 69 2HB ASN 69 -7.182 -6.254 -4.962 494 HD21 ASN 69 1HD2 ASN 69 -6.638 -5.122 -2.792 495 HD22 ASN 69 2HD2 ASN 69 -7.969 -4.966 -1.701 496 H THR 70 H THR 70 -8.238 -2.609 -7.018 497 HA THR 70 HA THR 70 -7.514 -4.037 -9.446 498 HB THR 70 HB THR 70 -9.268 -1.602 -9.067 499 HG1 THR 70 1HG THR 70 -10.918 -3.242 -9.566 500 HG21 THR 70 3HG2 THR 70 -8.657 -1.435 -11.285 501 HG22 THR 70 1HG2 THR 70 -10.071 -2.481 -11.403 502 HG23 THR 70 2HG2 THR 70 -8.452 -3.177 -11.471 503 H THR 71 H THR 71 -6.704 -1.112 -7.745 504 HA THR 71 HA THR 71 -4.943 -0.319 -9.972 505 HB THR 71 HB THR 71 -4.973 1.962 -9.015 506 HG1 THR 71 1HG THR 71 -6.740 2.314 -7.436 507 HG21 THR 71 3HG2 THR 71 -7.254 0.583 -10.189 508 HG22 THR 71 1HG2 THR 71 -6.546 2.145 -10.599 509 HG23 THR 71 2HG2 THR 71 -7.719 2.025 -9.288 510 H GLY 72 H GLY 72 -5.144 -1.121 -6.596 511 HA2 GLY 72 1HA GLY 72 -3.490 -1.657 -5.089 512 HA3 GLY 72 2HA GLY 72 -2.346 -1.594 -6.420 513 H LEU 73 H LEU 73 -4.364 1.132 -5.610 514 HA LEU 73 HA LEU 73 -1.961 2.550 -4.667 515 HB2 LEU 73 1HB LEU 73 -2.691 3.524 -6.695 516 HB3 LEU 73 2HB LEU 73 -4.376 3.504 -6.180 517 HG LEU 73 HG LEU 73 -3.750 5.211 -4.436 518 HD11 LEU 73 1HD1 LEU 73 -1.156 4.576 -5.273 519 HD12 LEU 73 2HD1 LEU 73 -1.644 5.835 -4.139 520 HD13 LEU 73 3HD1 LEU 73 -1.463 6.214 -5.851 521 HD21 LEU 73 3HD2 LEU 73 -4.913 5.849 -6.459 522 HD22 LEU 73 1HD2 LEU 73 -3.390 5.920 -7.345 523 HD23 LEU 73 2HD2 LEU 73 -3.710 7.074 -6.050 524 H ILE 74 H ILE 74 -1.982 3.522 -2.722 525 HA ILE 74 HA ILE 74 -4.394 3.200 -1.093 526 HB ILE 74 HB ILE 74 -1.599 3.924 -0.207 527 HG12 ILE 74 1HG1 ILE 74 -2.995 1.263 0.088 528 HG13 ILE 74 2HG1 ILE 74 -1.897 1.624 -1.240 529 HG21 ILE 74 1HG2 ILE 74 -4.077 3.167 1.330 530 HG22 ILE 74 2HG2 ILE 74 -2.464 3.267 2.033 531 HG23 ILE 74 3HG2 ILE 74 -3.226 4.711 1.366 532 HD11 ILE 74 3HD1 ILE 74 -0.068 1.449 0.055 533 HD12 ILE 74 1HD1 ILE 74 -0.862 2.149 1.465 534 HD13 ILE 74 2HD1 ILE 74 -1.138 0.457 1.046 535 H THR 75 H THR 75 -5.562 4.874 -0.372 536 HA THR 75 HA THR 75 -4.432 7.575 -0.506 537 HB THR 75 HB THR 75 -6.649 8.394 -1.417 538 HG1 THR 75 1HG THR 75 -7.741 6.339 -1.019 539 HG21 THR 75 3HG2 THR 75 -5.405 8.596 -3.253 540 HG22 THR 75 1HG2 THR 75 -5.882 6.965 -3.721 541 HG23 THR 75 2HG2 THR 75 -4.415 7.217 -2.776 542 H VAL 76 H VAL 76 -5.665 9.160 0.737 543 HA VAL 76 HA VAL 76 -6.403 8.159 3.282 544 HB VAL 76 HB VAL 76 -6.911 10.919 2.163 545 HG11 VAL 76 1HG1 VAL 76 -6.515 11.314 4.772 546 HG12 VAL 76 2HG1 VAL 76 -8.110 10.991 4.090 547 HG13 VAL 76 3HG1 VAL 76 -7.190 9.686 4.841 548 HG21 VAL 76 3HG2 VAL 76 -4.482 9.639 3.343 549 HG22 VAL 76 1HG2 VAL 76 -4.621 10.715 1.952 550 HG23 VAL 76 2HG2 VAL 76 -4.773 11.362 3.586 551 H GLN 77 H GLN 77 -8.175 6.873 3.343 552 HA GLN 77 HA GLN 77 -10.531 7.304 1.836 553 HB2 GLN 77 1HB GLN 77 -9.644 5.155 3.028 554 HB3 GLN 77 2HB GLN 77 -10.527 5.777 4.416 555 HG2 GLN 77 1HG GLN 77 -12.459 5.979 2.610 556 HG3 GLN 77 2HG GLN 77 -11.533 4.682 1.857 557 HE21 GLN 77 1HE2 GLN 77 -11.569 2.674 2.729 558 HE22 GLN 77 2HE2 GLN 77 -12.530 2.231 4.094 559 H ARG 78 H ARG 78 -9.768 7.889 5.263 560 HA ARG 78 HA ARG 78 -11.841 9.962 5.293 561 HB2 ARG 78 1HB ARG 78 -11.543 7.719 7.291 562 HB3 ARG 78 2HB ARG 78 -12.461 9.183 7.620 563 HG2 ARG 78 1HG ARG 78 -13.750 8.601 5.470 564 HG3 ARG 78 2HG ARG 78 -13.045 6.996 5.666 565 HD2 ARG 78 1HD ARG 78 -15.193 6.986 6.709 566 HD3 ARG 78 2HD ARG 78 -13.973 6.953 7.981 567 HE ARG 78 HE ARG 78 -14.527 9.594 7.689 568 HH11 ARG 78 1HH1 ARG 78 -16.470 6.760 8.250 569 HH12 ARG 78 2HH1 ARG 78 -17.685 7.611 9.145 570 HH21 ARG 78 1HH2 ARG 78 -16.121 10.725 8.866 571 HH22 ARG 78 2HH2 ARG 78 -17.486 9.866 9.494 572 H SER 79 H SER 79 -11.626 11.432 7.174 573 HA SER 79 HA SER 79 -9.173 12.622 7.344 574 HB2 SER 79 1HB SER 79 -11.377 13.536 8.184 575 HB3 SER 79 2HB SER 79 -11.134 12.578 9.645 576 HG SER 79 HG SER 79 -9.229 13.743 10.026 577 H LEU 80 H LEU 80 -7.575 12.749 9.032 578 HA LEU 80 HA LEU 80 -7.151 10.150 10.338 579 HB2 LEU 80 1HB LEU 80 -5.071 12.267 9.869 580 HB3 LEU 80 2HB LEU 80 -4.824 10.567 10.265 581 HG LEU 80 HG LEU 80 -6.105 11.376 7.676 582 HD11 LEU 80 1HD1 LEU 80 -3.927 11.356 6.617 583 HD12 LEU 80 2HD1 LEU 80 -3.145 11.090 8.175 584 HD13 LEU 80 3HD1 LEU 80 -3.986 12.607 7.858 585 HD21 LEU 80 3HD2 LEU 80 -4.528 8.971 8.586 586 HD22 LEU 80 1HD2 LEU 80 -5.135 9.227 6.950 587 HD23 LEU 80 2HD2 LEU 80 -6.266 9.045 8.292 588 H ASP 81 H ASP 81 -6.683 10.013 12.502 589 HA ASP 81 HA ASP 81 -6.836 12.519 14.043 590 HB2 ASP 81 1HB ASP 81 -8.864 10.813 14.045 591 HB3 ASP 81 2HB ASP 81 -7.858 9.975 15.223 592 H ARG 82 H ARG 82 -5.202 12.859 15.402 593 HA ARG 82 HA ARG 82 -3.186 10.795 15.717 594 HB2 ARG 82 1HB ARG 82 -3.320 13.736 16.157 595 HB3 ARG 82 2HB ARG 82 -2.156 12.824 17.108 596 HG2 ARG 82 1HG ARG 82 -1.554 11.825 14.732 597 HG3 ARG 82 2HG ARG 82 -2.221 13.369 14.197 598 HD2 ARG 82 1HD ARG 82 0.196 13.507 14.527 599 HD3 ARG 82 2HD ARG 82 -0.668 14.556 15.650 600 HE ARG 82 HE ARG 82 -0.163 12.032 16.829 601 HH11 ARG 82 1HH1 ARG 82 1.404 15.008 15.931 602 HH12 ARG 82 2HH1 ARG 82 2.629 14.883 17.149 603 HH21 ARG 82 1HH2 ARG 82 1.445 11.856 18.438 604 HH22 ARG 82 2HH2 ARG 82 2.652 13.089 18.574 605 H GLU 83 H GLU 83 -5.359 12.713 17.752 606 HA GLU 83 HA GLU 83 -4.613 12.129 20.271 607 HB2 GLU 83 1HB GLU 83 -6.977 12.160 20.927 608 HB3 GLU 83 2HB GLU 83 -6.618 13.420 19.755 609 HG2 GLU 83 1HG GLU 83 -7.556 12.012 17.977 610 HG3 GLU 83 2HG GLU 83 -7.957 10.787 19.179 611 H GLU 84 H GLU 84 -5.774 9.855 17.930 612 HA GLU 84 HA GLU 84 -5.967 7.745 19.956 613 HB2 GLU 84 1HB GLU 84 -7.852 7.855 18.452 614 HB3 GLU 84 2HB GLU 84 -6.791 7.818 17.051 615 HG2 GLU 84 1HG GLU 84 -7.570 5.655 17.146 616 HG3 GLU 84 2HG GLU 84 -6.022 5.537 17.981 617 H THR 85 H THR 85 -4.555 8.197 16.711 618 HA THR 85 HA THR 85 -2.208 6.674 17.589 619 HB THR 85 HB THR 85 -3.701 5.100 16.387 620 HG1 THR 85 1HG THR 85 -1.984 4.700 14.639 621 HG21 THR 85 3HG2 THR 85 -4.389 5.395 14.193 622 HG22 THR 85 1HG2 THR 85 -3.140 6.591 13.853 623 HG23 THR 85 2HG2 THR 85 -4.533 7.028 14.843 624 H ALA 86 H ALA 86 -0.320 7.503 16.905 625 HA ALA 86 HA ALA 86 -0.433 9.855 15.166 626 HB1 ALA 86 3HB ALA 86 1.741 10.425 16.039 627 HB2 ALA 86 1HB ALA 86 0.655 10.052 17.378 628 HB3 ALA 86 2HB ALA 86 1.858 8.869 16.861 629 H ILE 87 H ILE 87 0.829 6.613 15.315 630 HA ILE 87 HA ILE 87 2.034 7.000 12.653 631 HB ILE 87 HB ILE 87 2.909 5.037 14.775 632 HG12 ILE 87 1HG1 ILE 87 4.286 7.512 13.710 633 HG13 ILE 87 2HG1 ILE 87 3.522 7.372 15.289 634 HG21 ILE 87 1HG2 ILE 87 3.923 3.915 13.153 635 HG22 ILE 87 2HG2 ILE 87 3.251 5.023 11.959 636 HG23 ILE 87 3HG2 ILE 87 4.814 5.367 12.699 637 HD11 ILE 87 3HD1 ILE 87 5.723 5.520 14.474 638 HD12 ILE 87 1HD1 ILE 87 6.065 7.122 15.126 639 HD13 ILE 87 2HD1 ILE 87 5.170 5.949 16.092 640 H HIS 88 H HIS 88 1.372 5.692 11.050 641 HA HIS 88 HA HIS 88 -0.486 3.517 11.757 642 HB2 HIS 88 1HB HIS 88 -0.441 5.436 9.444 643 HB3 HIS 88 2HB HIS 88 -1.281 3.893 9.317 644 HD1 HIS 88 1HD HIS 88 -3.222 3.520 11.168 645 HD2 HIS 88 2HD HIS 88 -1.882 7.416 10.631 646 HE1 HIS 88 1HE HIS 88 -4.997 4.987 12.180 647 HE2 HIS 88 2HE HIS 88 -4.205 7.342 11.767 648 H LYS 89 H LYS 89 -0.218 1.518 10.860 649 HA LYS 89 HA LYS 89 2.105 1.153 9.085 650 HB2 LYS 89 1HB LYS 89 1.282 -0.478 11.485 651 HB3 LYS 89 2HB LYS 89 2.382 -1.093 10.258 652 HG2 LYS 89 1HG LYS 89 2.890 1.471 11.736 653 HG3 LYS 89 2HG LYS 89 3.427 -0.100 12.336 654 HD2 LYS 89 1HD LYS 89 4.569 -0.413 10.097 655 HD3 LYS 89 2HD LYS 89 4.233 1.292 9.790 656 HE2 LYS 89 1HE LYS 89 6.413 1.254 10.656 657 HE3 LYS 89 2HE LYS 89 5.399 1.748 12.010 658 HZ1 LYS 89 3HZ LYS 89 5.941 -0.067 13.156 659 HZ2 LYS 89 1HZ LYS 89 7.201 -0.276 12.045 660 HZ3 LYS 89 2HZ LYS 89 5.737 -1.097 11.829 661 H VAL 90 H VAL 90 1.224 0.692 7.163 662 HA VAL 90 HA VAL 90 -0.939 -1.310 7.074 663 HB VAL 90 HB VAL 90 -0.295 0.801 5.011 664 HG11 VAL 90 1HG1 VAL 90 -1.444 -0.530 3.642 665 HG12 VAL 90 2HG1 VAL 90 -1.937 -1.588 4.966 666 HG13 VAL 90 3HG1 VAL 90 -2.868 -0.134 4.604 667 HG21 VAL 90 3HG2 VAL 90 -2.887 0.926 6.340 668 HG22 VAL 90 1HG2 VAL 90 -1.528 1.186 7.434 669 HG23 VAL 90 2HG2 VAL 90 -1.721 2.207 6.009 670 H THR 91 H THR 91 -0.655 -3.131 5.917 671 HA THR 91 HA THR 91 1.861 -3.393 4.403 672 HB THR 91 HB THR 91 0.378 -5.675 5.705 673 HG1 THR 91 1HG THR 91 2.063 -5.484 7.329 674 HG21 THR 91 3HG2 THR 91 1.810 -6.827 4.419 675 HG22 THR 91 1HG2 THR 91 3.054 -6.293 5.548 676 HG23 THR 91 2HG2 THR 91 2.772 -5.394 4.057 677 H VAL 92 H VAL 92 1.743 -3.987 2.326 678 HA VAL 92 HA VAL 92 -0.847 -4.966 1.313 679 HB VAL 92 HB VAL 92 1.105 -3.238 -0.211 680 HG11 VAL 92 1HG1 VAL 92 -0.085 -3.735 -2.018 681 HG12 VAL 92 2HG1 VAL 92 -1.010 -4.894 -1.061 682 HG13 VAL 92 3HG1 VAL 92 -1.572 -3.229 -1.215 683 HG21 VAL 92 3HG2 VAL 92 -0.154 -2.194 1.790 684 HG22 VAL 92 1HG2 VAL 92 -0.196 -1.365 0.234 685 HG23 VAL 92 2HG2 VAL 92 -1.579 -2.326 0.760 686 H LEU 93 H LEU 93 -0.832 -6.711 -0.008 687 HA LEU 93 HA LEU 93 1.769 -7.994 -0.462 688 HB2 LEU 93 1HB LEU 93 -1.032 -9.098 -0.395 689 HB3 LEU 93 2HB LEU 93 0.377 -10.041 -0.874 690 HG LEU 93 HG LEU 93 0.165 -8.733 1.825 691 HD11 LEU 93 1HD1 LEU 93 -1.638 -10.114 2.040 692 HD12 LEU 93 2HD1 LEU 93 -0.347 -11.246 2.443 693 HD13 LEU 93 3HD1 LEU 93 -1.053 -11.253 0.827 694 HD21 LEU 93 3HD2 LEU 93 2.220 -10.072 0.464 695 HD22 LEU 93 1HD2 LEU 93 1.620 -11.200 1.680 696 HD23 LEU 93 2HD2 LEU 93 2.180 -9.599 2.163 697 H ALA 94 H ALA 94 2.165 -9.070 -2.488 698 HA ALA 94 HA ALA 94 0.546 -8.107 -4.741 699 HB1 ALA 94 3HB ALA 94 2.152 -6.733 -5.414 700 HB2 ALA 94 1HB ALA 94 3.205 -7.260 -4.101 701 HB3 ALA 94 2HB ALA 94 3.209 -8.127 -5.637 702 H SER 95 H SER 95 -0.177 -9.847 -5.764 703 HA SER 95 HA SER 95 1.597 -12.191 -5.980 704 HB2 SER 95 1HB SER 95 -0.252 -13.624 -5.834 705 HB3 SER 95 2HB SER 95 -0.633 -12.361 -4.664 706 HG SER 95 HG SER 95 -1.587 -12.509 -7.335 707 H ASP 96 H ASP 96 2.080 -12.956 -7.953 708 HA ASP 96 HA ASP 96 0.801 -11.644 -10.259 709 HB2 ASP 96 1HB ASP 96 3.020 -11.055 -10.478 710 HB3 ASP 96 2HB ASP 96 3.598 -12.539 -9.725 711 H GLY 97 H GLY 97 2.178 -14.735 -9.162 712 HA2 GLY 97 1HA GLY 97 0.316 -16.517 -9.700 713 HA3 GLY 97 2HA GLY 97 0.801 -16.119 -11.341 714 H SER 98 H SER 98 1.045 -18.556 -9.474 715 HA SER 98 HA SER 98 2.531 -20.232 -9.057 716 HB2 SER 98 1HB SER 98 3.657 -19.052 -11.597 717 HB3 SER 98 2HB SER 98 4.325 -20.506 -10.854 718 HG SER 98 HG SER 98 2.576 -20.694 -12.540 719 H SER 99 H SER 99 2.962 -18.040 -7.465 720 HA SER 99 HA SER 99 5.600 -18.459 -6.569 721 HB2 SER 99 1HB SER 99 5.862 -16.928 -8.666 722 HB3 SER 99 2HB SER 99 5.271 -15.656 -7.597 723 HG SER 99 HG SER 99 7.725 -16.591 -7.778 724 H THR 100 H THR 100 6.066 -17.338 -4.610 725 HA THR 100 HA THR 100 3.737 -16.770 -3.061 726 HB THR 100 HB THR 100 5.401 -16.188 -1.256 727 HG1 THR 100 1HG THR 100 7.297 -17.094 -3.183 728 HG21 THR 100 3HG2 THR 100 5.871 -18.419 -0.775 729 HG22 THR 100 1HG2 THR 100 6.098 -18.839 -2.473 730 HG23 THR 100 2HG2 THR 100 4.477 -18.531 -1.849 731 HA PRO 101 HA PRO 101 3.420 -12.431 -3.814 732 HB2 PRO 101 1HB PRO 101 1.870 -11.789 -1.679 733 HB3 PRO 101 2HB PRO 101 1.244 -12.630 -3.102 734 HG2 PRO 101 1HG PRO 101 2.075 -13.749 -0.453 735 HG3 PRO 101 2HG PRO 101 0.659 -14.150 -1.442 736 HD2 PRO 101 1HD PRO 101 2.883 -15.693 -1.390 737 HD3 PRO 101 2HD PRO 101 1.867 -15.531 -2.837 738 H ALA 102 H ALA 102 4.373 -10.540 -3.158 739 HA ALA 102 HA ALA 102 6.302 -10.764 -0.983 740 HB1 ALA 102 3HB ALA 102 5.958 -8.827 -3.250 741 HB2 ALA 102 1HB ALA 102 7.068 -8.513 -1.915 742 HB3 ALA 102 2HB ALA 102 7.294 -9.935 -2.935 743 H ARG 103 H ARG 103 6.609 -8.911 0.487 744 HA ARG 103 HA ARG 103 4.074 -7.542 1.094 745 HB2 ARG 103 1HB ARG 103 4.398 -7.883 3.436 746 HB3 ARG 103 2HB ARG 103 4.580 -9.447 2.652 747 HG2 ARG 103 1HG ARG 103 7.064 -9.071 2.714 748 HG3 ARG 103 2HG ARG 103 6.745 -7.669 3.737 749 HD2 ARG 103 1HD ARG 103 5.571 -9.149 5.331 750 HD3 ARG 103 2HD ARG 103 6.000 -10.532 4.325 751 HE ARG 103 HE ARG 103 8.310 -9.056 5.040 752 HH11 ARG 103 1HH1 ARG 103 5.964 -11.286 6.321 753 HH12 ARG 103 2HH1 ARG 103 7.044 -11.946 7.505 754 HH21 ARG 103 1HH2 ARG 103 9.742 -9.916 6.594 755 HH22 ARG 103 2HH2 ARG 103 9.192 -11.165 7.659 756 H ALA 104 H ALA 104 4.203 -5.402 1.415 757 HA ALA 104 HA ALA 104 6.879 -4.215 1.756 758 HB1 ALA 104 3HB ALA 104 6.446 -2.550 0.201 759 HB2 ALA 104 1HB ALA 104 5.727 -3.977 -0.546 760 HB3 ALA 104 2HB ALA 104 4.701 -2.797 0.271 761 H THR 105 H THR 105 7.046 -3.228 3.648 762 HA THR 105 HA THR 105 4.654 -2.364 5.065 763 HB THR 105 HB THR 105 7.545 -2.447 5.947 764 HG1 THR 105 1HG THR 105 5.419 -4.034 6.933 765 HG21 THR 105 3HG2 THR 105 6.557 -0.741 7.233 766 HG22 THR 105 1HG2 THR 105 6.457 -2.181 8.245 767 HG23 THR 105 2HG2 THR 105 5.032 -1.614 7.374 768 H VAL 106 H VAL 106 3.928 -0.355 4.912 769 HA VAL 106 HA VAL 106 5.827 1.784 4.203 770 HB VAL 106 HB VAL 106 2.842 1.695 3.744 771 HG11 VAL 106 1HG1 VAL 106 4.694 3.724 2.566 772 HG12 VAL 106 2HG1 VAL 106 2.951 3.816 2.832 773 HG13 VAL 106 3HG1 VAL 106 4.061 3.947 4.197 774 HG21 VAL 106 3HG2 VAL 106 4.999 0.611 2.244 775 HG22 VAL 106 1HG2 VAL 106 3.283 0.645 1.839 776 HG23 VAL 106 2HG2 VAL 106 4.332 1.974 1.346 777 H THR 107 H THR 107 6.209 3.305 5.667 778 HA THR 107 HA THR 107 4.533 3.406 8.064 779 HB THR 107 HB THR 107 7.197 4.756 7.601 780 HG1 THR 107 1HG THR 107 7.846 2.722 7.693 781 HG21 THR 107 3HG2 THR 107 6.833 4.224 10.303 782 HG22 THR 107 1HG2 THR 107 5.255 4.788 9.755 783 HG23 THR 107 2HG2 THR 107 6.683 5.793 9.513 784 H ILE 108 H ILE 108 3.008 4.904 8.202 785 HA ILE 108 HA ILE 108 3.309 7.380 6.642 786 HB ILE 108 HB ILE 108 0.800 6.130 7.766 787 HG12 ILE 108 1HG1 ILE 108 1.518 6.489 4.862 788 HG13 ILE 108 2HG1 ILE 108 1.972 5.041 5.754 789 HG21 ILE 108 1HG2 ILE 108 1.220 8.622 6.127 790 HG22 ILE 108 2HG2 ILE 108 -0.349 7.864 6.392 791 HG23 ILE 108 3HG2 ILE 108 0.559 8.511 7.758 792 HD11 ILE 108 3HD1 ILE 108 -0.707 5.973 4.879 793 HD12 ILE 108 1HD1 ILE 108 0.009 4.362 4.820 794 HD13 ILE 108 2HD1 ILE 108 -0.584 5.009 6.350 795 H ASN 109 H ASN 109 4.310 8.813 7.949 796 HA ASN 109 HA ASN 109 3.613 9.014 10.754 797 HB2 ASN 109 1HB ASN 109 5.657 10.296 8.975 798 HB3 ASN 109 2HB ASN 109 5.273 11.034 10.528 799 HD21 ASN 109 1HD2 ASN 109 7.733 9.763 9.558 800 HD22 ASN 109 2HD2 ASN 109 8.093 8.513 10.696 801 H VAL 110 H VAL 110 2.111 10.317 11.560 802 HA VAL 110 HA VAL 110 0.836 12.268 9.799 803 HB VAL 110 HB VAL 110 -0.020 11.428 12.570 804 HG11 VAL 110 1HG1 VAL 110 -1.083 13.256 10.523 805 HG12 VAL 110 2HG1 VAL 110 -2.264 12.178 11.269 806 HG13 VAL 110 3HG1 VAL 110 -1.298 13.261 12.273 807 HG21 VAL 110 3HG2 VAL 110 -0.656 9.480 11.711 808 HG22 VAL 110 1HG2 VAL 110 -1.745 10.350 10.629 809 HG23 VAL 110 2HG2 VAL 110 -0.105 9.965 10.108 810 H THR 111 H THR 111 1.529 14.293 9.836 811 HA THR 111 HA THR 111 2.858 15.325 12.232 812 HB THR 111 HB THR 111 3.598 17.188 10.804 813 HG1 THR 111 1HG THR 111 2.939 17.365 8.738 814 HG21 THR 111 3HG2 THR 111 4.211 14.367 10.265 815 HG22 THR 111 1HG2 THR 111 5.292 15.713 10.623 816 HG23 THR 111 2HG2 THR 111 4.686 15.481 8.983 817 H ASP 112 H ASP 112 2.450 17.712 12.679 818 HA ASP 112 HA ASP 112 -0.394 18.057 13.067 819 HB2 ASP 112 1HB ASP 112 1.953 19.773 13.904 820 HB3 ASP 112 2HB ASP 112 0.279 20.059 14.371 821 H VAL 113 H VAL 113 -0.999 20.600 12.907 822 HA VAL 113 HA VAL 113 -0.081 21.718 10.379 823 HB VAL 113 HB VAL 113 -2.418 22.021 9.564 824 HG11 VAL 113 1HG1 VAL 113 -1.297 19.249 9.879 825 HG12 VAL 113 2HG1 VAL 113 -2.712 19.594 8.882 826 HG13 VAL 113 3HG1 VAL 113 -1.158 20.336 8.498 827 HG21 VAL 113 3HG2 VAL 113 -4.131 21.559 10.899 828 HG22 VAL 113 1HG2 VAL 113 -3.672 19.857 10.884 829 HG23 VAL 113 2HG2 VAL 113 -3.030 20.932 12.126 830 H ASN 114 H ASN 114 0.038 23.870 10.484 831 HA ASN 114 HA ASN 114 -0.733 25.231 12.877 832 HB2 ASN 114 1HB ASN 114 0.222 27.218 11.811 833 HB3 ASN 114 2HB ASN 114 1.304 25.839 11.634 834 HD21 ASN 114 1HD2 ASN 114 2.037 27.509 9.958 835 HD22 ASN 114 2HD2 ASN 114 1.391 27.304 8.369 Start of MODEL 6 1 H1 GLY 1 H GLY 1 11.052 -18.856 -25.666 2 HA2 GLY 1 1HA GLY 1 10.957 -21.451 -26.526 3 HA3 GLY 1 2HA GLY 1 10.170 -20.895 -25.056 4 H SER 2 H SER 2 9.534 -22.800 -27.441 5 HA SER 2 HA SER 2 6.786 -21.812 -27.845 6 HB2 SER 2 1HB SER 2 8.089 -21.816 -29.942 7 HB3 SER 2 2HB SER 2 8.419 -23.535 -29.726 8 HG SER 2 HG SER 2 6.669 -23.388 -31.066 9 H SER 3 H SER 3 5.099 -23.290 -27.701 10 HA SER 3 HA SER 3 4.000 -24.988 -26.630 11 HB2 SER 3 1HB SER 3 4.604 -26.061 -28.757 12 HB3 SER 3 2HB SER 3 6.134 -26.593 -28.060 13 HG SER 3 HG SER 3 4.904 -27.807 -26.539 14 H GLY 4 H GLY 4 5.802 -23.737 -24.923 15 HA2 GLY 4 1HA GLY 4 6.160 -25.796 -22.956 16 HA3 GLY 4 2HA GLY 4 7.689 -25.212 -23.598 17 H SER 5 H SER 5 5.663 -24.882 -21.088 18 HA SER 5 HA SER 5 5.423 -22.097 -20.741 19 HB2 SER 5 1HB SER 5 5.120 -22.692 -18.305 20 HB3 SER 5 2HB SER 5 4.049 -23.548 -19.415 21 HG SER 5 HG SER 5 5.093 -24.881 -17.789 22 H SER 6 H SER 6 7.507 -21.314 -21.389 23 HA SER 6 HA SER 6 9.833 -21.962 -19.826 24 HB2 SER 6 1HB SER 6 10.973 -20.294 -21.201 25 HB3 SER 6 2HB SER 6 10.000 -21.354 -22.220 26 HG SER 6 HG SER 6 9.765 -19.111 -22.733 27 H GLY 7 H GLY 7 11.076 -20.372 -18.618 28 HA2 GLY 7 1HA GLY 7 11.327 -18.553 -17.200 29 HA3 GLY 7 2HA GLY 7 9.764 -17.957 -17.738 30 H ASN 8 H ASN 8 11.264 -18.708 -15.055 31 HA ASN 8 HA ASN 8 8.812 -19.472 -13.700 32 HB2 ASN 8 1HB ASN 8 11.327 -21.143 -13.592 33 HB3 ASN 8 2HB ASN 8 10.035 -21.265 -12.402 34 HD21 ASN 8 1HD2 ASN 8 8.471 -22.660 -12.791 35 HD22 ASN 8 2HD2 ASN 8 8.119 -23.385 -14.320 36 H ASP 9 H ASP 9 9.185 -19.483 -11.259 37 HA ASP 9 HA ASP 9 9.627 -18.180 -9.438 38 HB2 ASP 9 1HB ASP 9 12.447 -18.303 -10.527 39 HB3 ASP 9 2HB ASP 9 11.983 -17.981 -8.859 40 H ASN 10 H ASN 10 8.617 -16.668 -11.487 41 HA ASN 10 HA ASN 10 10.296 -14.294 -11.729 42 HB2 ASN 10 1HB ASN 10 7.531 -14.442 -12.858 43 HB3 ASN 10 2HB ASN 10 8.963 -13.646 -13.505 44 HD21 ASN 10 1HD2 ASN 10 6.925 -15.814 -14.382 45 HD22 ASN 10 2HD2 ASN 10 7.936 -17.006 -15.120 46 H ARG 11 H ARG 11 9.792 -14.464 -9.175 47 HA ARG 11 HA ARG 11 7.356 -13.486 -8.200 48 HB2 ARG 11 1HB ARG 11 8.969 -12.630 -6.285 49 HB3 ARG 11 2HB ARG 11 8.636 -14.343 -6.504 50 HG2 ARG 11 1HG ARG 11 10.725 -14.783 -7.349 51 HG3 ARG 11 2HG ARG 11 10.967 -13.125 -7.902 52 HD2 ARG 11 1HD ARG 11 11.171 -12.393 -5.566 53 HD3 ARG 11 2HD ARG 11 10.963 -14.061 -5.034 54 HE ARG 11 HE ARG 11 13.354 -12.864 -6.026 55 HH11 ARG 11 1HH1 ARG 11 11.579 -15.854 -5.854 56 HH12 ARG 11 2HH1 ARG 11 12.988 -16.851 -5.998 57 HH21 ARG 11 1HH2 ARG 11 15.217 -14.166 -6.217 58 HH22 ARG 11 2HH2 ARG 11 15.058 -15.890 -6.204 59 HA PRO 12 HA PRO 12 7.398 -9.248 -9.404 60 HB2 PRO 12 1HB PRO 12 5.658 -8.279 -7.558 61 HB3 PRO 12 2HB PRO 12 5.148 -9.255 -8.941 62 HG2 PRO 12 1HG PRO 12 5.601 -10.085 -6.101 63 HG3 PRO 12 2HG PRO 12 4.285 -10.534 -7.201 64 HD2 PRO 12 1HD PRO 12 6.390 -12.164 -6.706 65 HD3 PRO 12 2HD PRO 12 5.557 -12.130 -8.273 66 H VAL 13 H VAL 13 7.555 -7.020 -8.301 67 HA VAL 13 HA VAL 13 9.197 -7.077 -5.880 68 HB VAL 13 HB VAL 13 10.793 -7.140 -7.746 69 HG11 VAL 13 1HG1 VAL 13 9.492 -6.109 -9.486 70 HG12 VAL 13 2HG1 VAL 13 9.434 -4.586 -8.596 71 HG13 VAL 13 3HG1 VAL 13 10.966 -5.171 -9.246 72 HG21 VAL 13 3HG2 VAL 13 11.483 -4.489 -7.082 73 HG22 VAL 13 1HG2 VAL 13 10.667 -5.174 -5.675 74 HG23 VAL 13 2HG2 VAL 13 12.081 -5.980 -6.356 75 H PHE 14 H PHE 14 8.795 -5.420 -4.537 76 HA PHE 14 HA PHE 14 6.878 -3.398 -5.432 77 HB2 PHE 14 1HB PHE 14 7.634 -4.543 -2.777 78 HB3 PHE 14 2HB PHE 14 6.949 -2.923 -2.833 79 HD1 PHE 14 1HD PHE 14 4.944 -3.089 -4.902 80 HD2 PHE 14 2HD PHE 14 6.018 -5.953 -1.943 81 HE1 PHE 14 1HE PHE 14 2.681 -4.049 -5.014 82 HE2 PHE 14 2HE PHE 14 3.758 -6.918 -2.050 83 HZ PHE 14 HZ PHE 14 2.086 -5.966 -3.588 84 H LYS 15 H LYS 15 8.578 -2.279 -6.640 85 HA LYS 15 HA LYS 15 10.916 -1.229 -5.828 86 HB2 LYS 15 1HB LYS 15 10.013 -0.754 -8.022 87 HB3 LYS 15 2HB LYS 15 8.727 0.222 -7.324 88 HG2 LYS 15 1HG LYS 15 10.399 1.827 -6.519 89 HG3 LYS 15 2HG LYS 15 11.671 0.858 -7.268 90 HD2 LYS 15 1HD LYS 15 9.345 1.972 -8.819 91 HD3 LYS 15 2HD LYS 15 10.854 2.860 -8.591 92 HE2 LYS 15 1HE LYS 15 12.087 1.316 -9.831 93 HE3 LYS 15 2HE LYS 15 10.858 0.063 -9.668 94 HZ1 LYS 15 3HZ LYS 15 9.847 2.378 -10.993 95 HZ2 LYS 15 1HZ LYS 15 9.843 0.763 -11.498 96 HZ3 LYS 15 2HZ LYS 15 11.190 1.740 -11.801 97 H GLU 16 H GLU 16 11.678 0.189 -4.372 98 HA GLU 16 HA GLU 16 11.753 1.633 -2.615 99 HB2 GLU 16 1HB GLU 16 9.181 2.583 -3.880 100 HB3 GLU 16 2HB GLU 16 9.938 3.384 -2.510 101 HG2 GLU 16 1HG GLU 16 11.689 4.175 -3.757 102 HG3 GLU 16 2HG GLU 16 11.549 2.896 -4.963 103 H GLY 17 H GLY 17 10.919 -0.883 -1.982 104 HA2 GLY 17 1HA GLY 17 8.562 -1.416 -0.776 105 HA3 GLY 17 2HA GLY 17 10.096 -1.928 -0.088 106 H GLN 18 H GLN 18 11.053 -0.680 1.565 107 HA GLN 18 HA GLN 18 9.166 0.544 3.317 108 HB2 GLN 18 1HB GLN 18 12.177 0.332 3.450 109 HB3 GLN 18 2HB GLN 18 11.178 0.989 4.741 110 HG2 GLN 18 1HG GLN 18 11.400 -1.144 5.479 111 HG3 GLN 18 2HG GLN 18 9.945 -1.325 4.499 112 HE21 GLN 18 1HE2 GLN 18 10.641 -3.597 4.547 113 HE22 GLN 18 2HE2 GLN 18 11.760 -4.137 3.347 114 H VAL 19 H VAL 19 8.461 2.561 3.220 115 HA VAL 19 HA VAL 19 10.316 4.696 2.459 116 HB VAL 19 HB VAL 19 7.540 4.461 1.290 117 HG11 VAL 19 1HG1 VAL 19 8.260 6.763 1.660 118 HG12 VAL 19 2HG1 VAL 19 9.751 6.448 0.771 119 HG13 VAL 19 3HG1 VAL 19 8.196 6.389 -0.062 120 HG21 VAL 19 3HG2 VAL 19 10.054 4.335 -0.321 121 HG22 VAL 19 1HG2 VAL 19 9.439 2.881 0.464 122 HG23 VAL 19 2HG2 VAL 19 8.441 3.737 -0.711 123 H GLU 20 H GLU 20 9.770 6.760 3.268 124 HA GLU 20 HA GLU 20 7.752 6.703 5.415 125 HB2 GLU 20 1HB GLU 20 10.055 6.873 6.258 126 HB3 GLU 20 2HB GLU 20 10.310 8.309 5.275 127 HG2 GLU 20 1HG GLU 20 8.075 8.271 7.242 128 HG3 GLU 20 2HG GLU 20 9.726 8.512 7.808 129 H VAL 21 H VAL 21 6.318 8.373 5.595 130 HA VAL 21 HA VAL 21 6.541 10.593 3.686 131 HB VAL 21 HB VAL 21 3.990 10.389 3.415 132 HG11 VAL 21 1HG1 VAL 21 5.923 9.790 1.773 133 HG12 VAL 21 2HG1 VAL 21 5.424 8.128 2.091 134 HG13 VAL 21 3HG1 VAL 21 4.274 9.281 1.413 135 HG21 VAL 21 3HG2 VAL 21 3.429 8.785 5.052 136 HG22 VAL 21 1HG2 VAL 21 3.254 7.961 3.502 137 HG23 VAL 21 2HG2 VAL 21 4.679 7.669 4.500 138 H HIS 22 H HIS 22 5.058 12.399 4.209 139 HA HIS 22 HA HIS 22 4.361 12.509 7.064 140 HB2 HIS 22 1HB HIS 22 6.019 14.450 5.478 141 HB3 HIS 22 2HB HIS 22 5.110 14.988 6.887 142 HD1 HIS 22 1HD HIS 22 8.290 13.565 5.931 143 HD2 HIS 22 2HD HIS 22 5.885 13.489 9.317 144 HE1 HIS 22 1HE HIS 22 9.792 12.819 7.805 145 HE2 HIS 22 2HE HIS 22 8.294 12.698 9.827 146 H ILE 23 H ILE 23 2.195 12.557 6.978 147 HA ILE 23 HA ILE 23 0.949 14.602 5.259 148 HB ILE 23 HB ILE 23 0.392 12.409 4.388 149 HG12 ILE 23 1HG1 ILE 23 -1.822 13.852 5.840 150 HG13 ILE 23 2HG1 ILE 23 -1.370 13.979 4.143 151 HG21 ILE 23 1HG2 ILE 23 0.773 11.155 6.481 152 HG22 ILE 23 2HG2 ILE 23 -0.748 11.788 7.109 153 HG23 ILE 23 3HG2 ILE 23 -0.749 10.730 5.698 154 HD11 ILE 23 3HD1 ILE 23 -3.014 11.952 5.528 155 HD12 ILE 23 1HD1 ILE 23 -3.197 12.667 3.926 156 HD13 ILE 23 2HD1 ILE 23 -2.000 11.400 4.195 157 HA PRO 24 HA PRO 24 -0.614 16.268 9.040 158 HB2 PRO 24 1HB PRO 24 -2.511 17.889 7.970 159 HB3 PRO 24 2HB PRO 24 -0.783 18.258 7.904 160 HG2 PRO 24 1HG PRO 24 -2.546 17.058 5.802 161 HG3 PRO 24 2HG PRO 24 -1.295 18.304 5.636 162 HD2 PRO 24 1HD PRO 24 -0.864 15.711 4.987 163 HD3 PRO 24 2HD PRO 24 0.418 16.761 5.625 164 H GLU 25 H GLU 25 -2.332 15.990 10.435 165 HA GLU 25 HA GLU 25 -3.999 13.776 10.072 166 HB2 GLU 25 1HB GLU 25 -5.251 14.725 12.071 167 HB3 GLU 25 2HB GLU 25 -3.533 14.423 12.295 168 HG2 GLU 25 1HG GLU 25 -3.045 16.770 12.015 169 HG3 GLU 25 2HG GLU 25 -4.739 17.108 11.666 170 H ASN 26 H ASN 26 -4.601 17.222 9.603 171 HA ASN 26 HA ASN 26 -7.372 16.768 8.891 172 HB2 ASN 26 1HB ASN 26 -5.639 19.236 8.993 173 HB3 ASN 26 2HB ASN 26 -7.292 19.265 8.385 174 HD21 ASN 26 1HD2 ASN 26 -5.729 20.255 10.873 175 HD22 ASN 26 2HD2 ASN 26 -6.801 19.871 12.172 176 H ALA 27 H ALA 27 -4.830 15.876 7.318 177 HA ALA 27 HA ALA 27 -4.559 17.093 4.897 178 HB1 ALA 27 3HB ALA 27 -3.197 15.223 5.374 179 HB2 ALA 27 1HB ALA 27 -4.592 14.159 5.557 180 HB3 ALA 27 2HB ALA 27 -4.158 14.778 3.963 181 HA PRO 28 HA PRO 28 -8.462 16.953 2.863 182 HB2 PRO 28 1HB PRO 28 -7.614 17.180 0.294 183 HB3 PRO 28 2HB PRO 28 -7.602 18.532 1.432 184 HG2 PRO 28 1HG PRO 28 -5.354 16.741 0.596 185 HG3 PRO 28 2HG PRO 28 -5.360 18.500 0.818 186 HD2 PRO 28 1HD PRO 28 -4.370 16.800 2.679 187 HD3 PRO 28 2HD PRO 28 -5.146 18.338 3.107 188 H VAL 29 H VAL 29 -9.750 15.296 2.374 189 HA VAL 29 HA VAL 29 -8.877 12.676 2.018 190 HB VAL 29 HB VAL 29 -11.518 13.892 1.197 191 HG11 VAL 29 1HG1 VAL 29 -12.230 11.888 0.528 192 HG12 VAL 29 2HG1 VAL 29 -10.533 11.405 0.507 193 HG13 VAL 29 3HG1 VAL 29 -11.526 11.083 1.929 194 HG21 VAL 29 3HG2 VAL 29 -10.357 13.136 3.760 195 HG22 VAL 29 1HG2 VAL 29 -11.770 14.129 3.405 196 HG23 VAL 29 2HG2 VAL 29 -11.917 12.372 3.454 197 H GLY 30 H GLY 30 -8.321 11.459 0.301 198 HA2 GLY 30 1HA GLY 30 -8.442 10.852 -2.010 199 HA3 GLY 30 2HA GLY 30 -8.800 12.529 -2.396 200 H THR 31 H THR 31 -6.325 12.221 -0.114 201 HA THR 31 HA THR 31 -4.362 13.051 -2.095 202 HB THR 31 HB THR 31 -4.056 12.840 0.906 203 HG1 THR 31 1HG THR 31 -5.635 14.432 -0.191 204 HG21 THR 31 3HG2 THR 31 -1.907 13.295 0.544 205 HG22 THR 31 1HG2 THR 31 -2.375 14.803 -0.241 206 HG23 THR 31 2HG2 THR 31 -2.184 13.334 -1.197 207 H SER 32 H SER 32 -2.987 11.684 -3.005 208 HA SER 32 HA SER 32 -2.849 8.947 -2.274 209 HB2 SER 32 1HB SER 32 -2.498 9.712 -4.587 210 HB3 SER 32 2HB SER 32 -1.024 10.543 -4.090 211 HG SER 32 HG SER 32 -0.555 8.223 -3.250 212 H VAL 33 H VAL 33 -1.873 8.213 -0.513 213 HA VAL 33 HA VAL 33 0.270 9.674 0.754 214 HB VAL 33 HB VAL 33 -0.753 6.939 1.510 215 HG11 VAL 33 1HG1 VAL 33 -0.088 8.067 3.818 216 HG12 VAL 33 2HG1 VAL 33 1.092 7.219 2.816 217 HG13 VAL 33 3HG1 VAL 33 0.996 8.980 2.768 218 HG21 VAL 33 3HG2 VAL 33 -2.067 8.431 3.226 219 HG22 VAL 33 1HG2 VAL 33 -1.921 9.645 1.955 220 HG23 VAL 33 2HG2 VAL 33 -2.726 8.111 1.622 221 H ILE 34 H ILE 34 -0.074 6.381 -0.573 222 HA ILE 34 HA ILE 34 2.728 6.481 -1.406 223 HB ILE 34 HB ILE 34 2.643 5.353 0.817 224 HG12 ILE 34 1HG1 ILE 34 4.243 4.806 -1.175 225 HG13 ILE 34 2HG1 ILE 34 4.222 3.751 0.233 226 HG21 ILE 34 1HG2 ILE 34 0.571 3.815 -0.566 227 HG22 ILE 34 2HG2 ILE 34 1.732 2.833 0.326 228 HG23 ILE 34 3HG2 ILE 34 0.820 4.092 1.158 229 HD11 ILE 34 3HD1 ILE 34 3.969 2.966 -2.379 230 HD12 ILE 34 1HD1 ILE 34 3.533 2.010 -0.963 231 HD13 ILE 34 2HD1 ILE 34 2.304 2.959 -1.799 232 H GLN 35 H GLN 35 3.268 5.000 -3.079 233 HA GLN 35 HA GLN 35 0.986 3.675 -4.371 234 HB2 GLN 35 1HB GLN 35 1.490 5.892 -5.439 235 HB3 GLN 35 2HB GLN 35 3.077 5.263 -5.863 236 HG2 GLN 35 1HG GLN 35 2.247 3.844 -7.454 237 HG3 GLN 35 2HG GLN 35 0.664 3.731 -6.685 238 HE21 GLN 35 1HE2 GLN 35 -0.775 4.457 -8.080 239 HE22 GLN 35 2HE2 GLN 35 -0.662 5.925 -8.983 240 H LEU 36 H LEU 36 1.383 1.634 -4.930 241 HA LEU 36 HA LEU 36 4.173 0.708 -4.880 242 HB2 LEU 36 1HB LEU 36 1.572 -0.737 -4.423 243 HB3 LEU 36 2HB LEU 36 3.119 -1.563 -4.597 244 HG LEU 36 HG LEU 36 2.790 0.536 -2.493 245 HD11 LEU 36 1HD1 LEU 36 2.062 -1.212 -0.923 246 HD12 LEU 36 2HD1 LEU 36 1.881 -2.330 -2.274 247 HD13 LEU 36 3HD1 LEU 36 0.863 -0.893 -2.177 248 HD21 LEU 36 3HD2 LEU 36 5.010 -0.324 -2.894 249 HD22 LEU 36 1HD2 LEU 36 4.431 -1.982 -2.740 250 HD23 LEU 36 2HD2 LEU 36 4.423 -0.912 -1.338 251 H HIS 37 H HIS 37 5.019 -0.489 -6.549 252 HA HIS 37 HA HIS 37 3.310 -0.939 -8.895 253 HB2 HIS 37 1HB HIS 37 4.830 1.176 -8.986 254 HB3 HIS 37 2HB HIS 37 6.134 0.020 -9.237 255 HD1 HIS 37 1HD HIS 37 6.614 -0.399 -11.617 256 HD2 HIS 37 2HD HIS 37 2.636 0.639 -11.014 257 HE1 HIS 37 1HE HIS 37 5.577 -0.349 -13.907 258 HE2 HIS 37 2HE HIS 37 3.192 0.364 -13.525 259 H ALA 38 H ALA 38 3.263 -3.092 -9.037 260 HA ALA 38 HA ALA 38 5.835 -4.528 -8.975 261 HB1 ALA 38 3HB ALA 38 3.425 -6.049 -8.217 262 HB2 ALA 38 1HB ALA 38 5.067 -6.122 -7.575 263 HB3 ALA 38 2HB ALA 38 3.974 -4.836 -7.060 264 H THR 39 H THR 39 6.261 -5.073 -11.015 265 HA THR 39 HA THR 39 4.109 -6.318 -12.594 266 HB THR 39 HB THR 39 5.255 -5.375 -14.641 267 HG1 THR 39 1HG THR 39 6.447 -3.627 -12.730 268 HG21 THR 39 3HG2 THR 39 3.245 -4.366 -13.155 269 HG22 THR 39 1HG2 THR 39 3.809 -3.632 -14.656 270 HG23 THR 39 2HG2 THR 39 4.374 -3.012 -13.104 271 H ASP 40 H ASP 40 4.592 -8.219 -13.531 272 HA ASP 40 HA ASP 40 7.052 -9.513 -12.856 273 HB2 ASP 40 1HB ASP 40 6.078 -11.369 -14.323 274 HB3 ASP 40 2HB ASP 40 5.155 -10.918 -12.892 275 H ALA 41 H ALA 41 8.799 -8.623 -13.849 276 HA ALA 41 HA ALA 41 9.192 -7.445 -16.206 277 HB1 ALA 41 3HB ALA 41 10.960 -9.592 -15.041 278 HB2 ALA 41 1HB ALA 41 11.446 -8.465 -16.309 279 HB3 ALA 41 2HB ALA 41 11.027 -7.862 -14.705 280 H ASP 42 H ASP 42 8.520 -10.856 -15.789 281 HA ASP 42 HA ASP 42 9.069 -11.563 -18.514 282 HB2 ASP 42 1HB ASP 42 8.969 -13.046 -16.319 283 HB3 ASP 42 2HB ASP 42 7.283 -13.227 -16.796 284 H ILE 43 H ILE 43 7.474 -9.384 -18.648 285 HA ILE 43 HA ILE 43 4.715 -9.792 -18.725 286 HB ILE 43 HB ILE 43 4.655 -7.886 -20.333 287 HG12 ILE 43 1HG1 ILE 43 7.641 -8.268 -20.196 288 HG13 ILE 43 2HG1 ILE 43 6.619 -8.176 -21.626 289 HG21 ILE 43 1HG2 ILE 43 5.271 -6.264 -18.745 290 HG22 ILE 43 2HG2 ILE 43 4.824 -7.687 -17.807 291 HG23 ILE 43 3HG2 ILE 43 6.525 -7.296 -18.057 292 HD11 ILE 43 3HD1 ILE 43 6.327 -5.850 -21.379 293 HD12 ILE 43 1HD1 ILE 43 7.008 -5.864 -19.753 294 HD13 ILE 43 2HD1 ILE 43 8.046 -6.165 -21.147 295 H GLY 44 H GLY 44 3.722 -11.366 -19.811 296 HA2 GLY 44 1HA GLY 44 3.600 -11.441 -22.603 297 HA3 GLY 44 2HA GLY 44 4.763 -12.657 -22.095 298 H SER 45 H SER 45 3.509 -13.449 -19.692 299 HA SER 45 HA SER 45 1.351 -15.054 -20.820 300 HB2 SER 45 1HB SER 45 2.966 -15.257 -18.278 301 HB3 SER 45 2HB SER 45 1.556 -16.272 -18.583 302 HG SER 45 HG SER 45 3.738 -17.080 -19.228 303 H ASN 46 H ASN 46 -0.627 -15.412 -19.594 304 HA ASN 46 HA ASN 46 -1.843 -12.972 -18.821 305 HB2 ASN 46 1HB ASN 46 -2.752 -15.846 -18.634 306 HB3 ASN 46 2HB ASN 46 -3.764 -14.491 -18.143 307 HD21 ASN 46 1HD2 ASN 46 -4.976 -15.798 -19.918 308 HD22 ASN 46 2HD2 ASN 46 -4.829 -15.152 -21.514 309 H ALA 47 H ALA 47 -0.800 -12.076 -17.067 310 HA ALA 47 HA ALA 47 -1.033 -13.574 -14.538 311 HB1 ALA 47 3HB ALA 47 0.968 -12.665 -13.754 312 HB2 ALA 47 1HB ALA 47 1.315 -13.066 -15.436 313 HB3 ALA 47 2HB ALA 47 0.980 -11.395 -14.977 314 H GLU 48 H GLU 48 -2.037 -12.603 -12.854 315 HA GLU 48 HA GLU 48 -2.845 -9.791 -13.180 316 HB2 GLU 48 1HB GLU 48 -4.560 -12.035 -12.098 317 HB3 GLU 48 2HB GLU 48 -5.020 -10.340 -12.174 318 HG2 GLU 48 1HG GLU 48 -4.649 -10.527 -14.688 319 HG3 GLU 48 2HG GLU 48 -4.627 -12.271 -14.432 320 H ILE 49 H ILE 49 -1.838 -8.668 -11.655 321 HA ILE 49 HA ILE 49 -1.348 -9.908 -9.043 322 HB ILE 49 HB ILE 49 -0.191 -7.378 -10.218 323 HG12 ILE 49 1HG1 ILE 49 1.147 -10.042 -9.716 324 HG13 ILE 49 2HG1 ILE 49 0.535 -9.531 -11.285 325 HG21 ILE 49 1HG2 ILE 49 -0.477 -7.733 -7.625 326 HG22 ILE 49 2HG2 ILE 49 0.949 -8.747 -7.836 327 HG23 ILE 49 3HG2 ILE 49 1.002 -7.045 -8.294 328 HD11 ILE 49 3HD1 ILE 49 2.669 -8.876 -11.556 329 HD12 ILE 49 1HD1 ILE 49 2.093 -7.435 -10.719 330 HD13 ILE 49 2HD1 ILE 49 2.949 -8.691 -9.824 331 H ARG 50 H ARG 50 -2.680 -9.454 -7.430 332 HA ARG 50 HA ARG 50 -4.233 -6.957 -7.538 333 HB2 ARG 50 1HB ARG 50 -4.780 -9.571 -6.124 334 HB3 ARG 50 2HB ARG 50 -5.749 -8.119 -5.908 335 HG2 ARG 50 1HG ARG 50 -5.308 -9.235 -8.643 336 HG3 ARG 50 2HG ARG 50 -6.524 -9.936 -7.574 337 HD2 ARG 50 1HD ARG 50 -7.811 -8.015 -7.563 338 HD3 ARG 50 2HD ARG 50 -6.453 -6.982 -8.007 339 HE ARG 50 HE ARG 50 -8.260 -8.257 -9.780 340 HH11 ARG 50 1HH1 ARG 50 -4.914 -7.362 -9.428 341 HH12 ARG 50 2HH1 ARG 50 -4.630 -7.248 -11.133 342 HH21 ARG 50 1HH2 ARG 50 -7.899 -8.109 -12.027 343 HH22 ARG 50 2HH2 ARG 50 -6.329 -7.672 -12.611 344 H TYR 51 H TYR 51 -4.486 -5.701 -5.649 345 HA TYR 51 HA TYR 51 -2.325 -6.086 -3.685 346 HB2 TYR 51 1HB TYR 51 -3.740 -3.501 -4.356 347 HB3 TYR 51 2HB TYR 51 -2.299 -3.698 -3.365 348 HD1 TYR 51 2HD TYR 51 -0.151 -4.377 -4.448 349 HD2 TYR 51 1HD TYR 51 -3.596 -3.341 -6.720 350 HE1 TYR 51 2HE TYR 51 1.263 -4.056 -6.434 351 HE2 TYR 51 1HE TYR 51 -2.191 -3.018 -8.713 352 HH TYR 51 HH TYR 51 -0.124 -2.987 -9.524 353 H ILE 52 H ILE 52 -3.171 -7.091 -1.966 354 HA ILE 52 HA ILE 52 -5.714 -6.071 -0.880 355 HB ILE 52 HB ILE 52 -6.005 -8.243 0.216 356 HG12 ILE 52 1HG1 ILE 52 -3.781 -9.397 -1.419 357 HG13 ILE 52 2HG1 ILE 52 -3.398 -8.617 0.112 358 HG21 ILE 52 1HG2 ILE 52 -6.110 -7.735 -2.593 359 HG22 ILE 52 2HG2 ILE 52 -5.729 -9.434 -2.322 360 HG23 ILE 52 3HG2 ILE 52 -7.178 -8.731 -1.603 361 HD11 ILE 52 3HD1 ILE 52 -3.663 -10.756 0.818 362 HD12 ILE 52 1HD1 ILE 52 -5.324 -10.189 0.988 363 HD13 ILE 52 2HD1 ILE 52 -4.856 -11.139 -0.422 364 H PHE 53 H PHE 53 -5.884 -6.473 1.559 365 HA PHE 53 HA PHE 53 -3.864 -4.983 2.848 366 HB2 PHE 53 1HB PHE 53 -6.191 -6.599 3.874 367 HB3 PHE 53 2HB PHE 53 -5.089 -5.763 4.962 368 HD1 PHE 53 2HD PHE 53 -4.682 -3.217 4.324 369 HD2 PHE 53 1HD PHE 53 -8.099 -5.508 3.229 370 HE1 PHE 53 2HE PHE 53 -5.977 -1.144 4.042 371 HE2 PHE 53 1HE PHE 53 -9.399 -3.439 2.945 372 HZ PHE 53 HZ PHE 53 -8.339 -1.253 3.353 373 H GLY 54 H GLY 54 -2.205 -5.567 4.199 374 HA2 GLY 54 1HA GLY 54 -1.130 -8.210 3.815 375 HA3 GLY 54 2HA GLY 54 -0.394 -6.905 4.734 376 H ALA 55 H ALA 55 0.149 -8.730 6.187 377 HA ALA 55 HA ALA 55 -2.066 -9.762 7.773 378 HB1 ALA 55 3HB ALA 55 0.697 -10.551 7.266 379 HB2 ALA 55 1HB ALA 55 0.218 -10.703 8.957 380 HB3 ALA 55 2HB ALA 55 -0.703 -11.532 7.701 381 H GLN 56 H GLN 56 -2.260 -9.462 10.015 382 HA GLN 56 HA GLN 56 -2.270 -8.263 11.947 383 HB2 GLN 56 1HB GLN 56 0.583 -7.788 11.089 384 HB3 GLN 56 2HB GLN 56 -0.061 -7.228 12.626 385 HG2 GLN 56 1HG GLN 56 -0.745 -9.709 12.950 386 HG3 GLN 56 2HG GLN 56 0.455 -10.015 11.696 387 HE21 GLN 56 1HE2 GLN 56 2.626 -9.117 12.087 388 HE22 GLN 56 2HE2 GLN 56 3.225 -9.106 13.708 389 H VAL 57 H VAL 57 -3.567 -6.992 10.001 390 HA VAL 57 HA VAL 57 -2.663 -4.191 10.168 391 HB VAL 57 HB VAL 57 -4.402 -5.498 8.073 392 HG11 VAL 57 1HG1 VAL 57 -5.288 -3.443 7.892 393 HG12 VAL 57 2HG1 VAL 57 -3.983 -2.691 8.813 394 HG13 VAL 57 3HG1 VAL 57 -3.766 -3.042 7.097 395 HG21 VAL 57 3HG2 VAL 57 -2.598 -5.620 6.728 396 HG22 VAL 57 1HG2 VAL 57 -1.923 -4.103 7.325 397 HG23 VAL 57 2HG2 VAL 57 -1.703 -5.591 8.247 398 H ALA 58 H ALA 58 -3.779 -3.036 11.586 399 HA ALA 58 HA ALA 58 -6.093 -3.810 12.896 400 HB1 ALA 58 3HB ALA 58 -5.092 -1.009 12.400 401 HB2 ALA 58 1HB ALA 58 -6.295 -1.468 13.606 402 HB3 ALA 58 2HB ALA 58 -4.638 -2.060 13.741 403 HA PRO 59 HA PRO 59 -9.424 -3.129 10.112 404 HB2 PRO 59 1HB PRO 59 -11.403 -2.500 11.860 405 HB3 PRO 59 2HB PRO 59 -10.766 -4.139 11.680 406 HG2 PRO 59 1HG PRO 59 -10.124 -2.074 13.751 407 HG3 PRO 59 2HG PRO 59 -10.408 -3.812 13.954 408 HD2 PRO 59 1HD PRO 59 -7.923 -2.737 13.906 409 HD3 PRO 59 2HD PRO 59 -8.270 -4.366 13.292 410 H ALA 60 H ALA 60 -8.842 -0.643 12.564 411 HA ALA 60 HA ALA 60 -10.407 1.394 11.438 412 HB1 ALA 60 3HB ALA 60 -9.233 1.262 13.742 413 HB2 ALA 60 1HB ALA 60 -7.864 1.987 12.897 414 HB3 ALA 60 2HB ALA 60 -9.412 2.831 12.957 415 H THR 61 H THR 61 -6.959 0.635 11.025 416 HA THR 61 HA THR 61 -6.285 2.749 9.339 417 HB THR 61 HB THR 61 -5.129 -0.042 9.232 418 HG1 THR 61 1HG THR 61 -4.827 2.076 11.045 419 HG21 THR 61 3HG2 THR 61 -4.619 2.174 7.634 420 HG22 THR 61 1HG2 THR 61 -3.586 0.758 7.826 421 HG23 THR 61 2HG2 THR 61 -3.319 2.186 8.826 422 H LYS 62 H LYS 62 -7.905 -0.274 8.665 423 HA LYS 62 HA LYS 62 -7.623 -0.233 5.848 424 HB2 LYS 62 1HB LYS 62 -9.721 -1.535 7.592 425 HB3 LYS 62 2HB LYS 62 -9.525 -1.839 5.871 426 HG2 LYS 62 1HG LYS 62 -7.102 -2.482 6.501 427 HG3 LYS 62 2HG LYS 62 -7.743 -2.618 8.140 428 HD2 LYS 62 1HD LYS 62 -9.554 -4.106 7.106 429 HD3 LYS 62 2HD LYS 62 -8.503 -4.182 5.690 430 HE2 LYS 62 1HE LYS 62 -6.682 -4.820 7.464 431 HE3 LYS 62 2HE LYS 62 -8.081 -5.273 8.436 432 HZ1 LYS 62 3HZ LYS 62 -7.083 -7.084 7.039 433 HZ2 LYS 62 1HZ LYS 62 -7.659 -6.265 5.676 434 HZ3 LYS 62 2HZ LYS 62 -8.745 -6.848 6.834 435 H ARG 63 H ARG 63 -9.996 1.130 8.061 436 HA ARG 63 HA ARG 63 -11.761 1.993 5.960 437 HB2 ARG 63 1HB ARG 63 -12.428 1.430 8.357 438 HB3 ARG 63 2HB ARG 63 -11.742 2.986 8.806 439 HG2 ARG 63 1HG ARG 63 -13.320 4.131 7.370 440 HG3 ARG 63 2HG ARG 63 -13.974 2.585 6.826 441 HD2 ARG 63 1HD ARG 63 -14.683 2.082 9.113 442 HD3 ARG 63 2HD ARG 63 -14.022 3.623 9.658 443 HE ARG 63 HE ARG 63 -15.746 4.409 7.770 444 HH11 ARG 63 1HH1 ARG 63 -16.084 2.173 10.417 445 HH12 ARG 63 2HH1 ARG 63 -17.776 2.478 10.630 446 HH21 ARG 63 1HH2 ARG 63 -17.974 4.819 8.041 447 HH22 ARG 63 2HH2 ARG 63 -18.850 3.983 9.277 448 H LEU 64 H LEU 64 -10.026 3.886 8.438 449 HA LEU 64 HA LEU 64 -10.246 6.379 7.417 450 HB2 LEU 64 1HB LEU 64 -7.763 5.160 8.614 451 HB3 LEU 64 2HB LEU 64 -8.037 6.889 8.410 452 HG LEU 64 HG LEU 64 -9.688 5.065 10.158 453 HD11 LEU 64 1HD1 LEU 64 -7.408 5.341 11.003 454 HD12 LEU 64 2HD1 LEU 64 -8.586 6.163 12.026 455 HD13 LEU 64 3HD1 LEU 64 -7.587 7.094 10.909 456 HD21 LEU 64 3HD2 LEU 64 -11.175 6.724 9.930 457 HD22 LEU 64 1HD2 LEU 64 -9.986 7.827 9.239 458 HD23 LEU 64 2HD2 LEU 64 -10.095 7.632 10.989 459 H PHE 65 H PHE 65 -7.831 3.975 6.423 460 HA PHE 65 HA PHE 65 -7.161 5.690 4.129 461 HB2 PHE 65 1HB PHE 65 -5.590 3.426 5.378 462 HB3 PHE 65 2HB PHE 65 -5.087 4.342 3.961 463 HD1 PHE 65 2HD PHE 65 -5.608 4.460 7.588 464 HD2 PHE 65 1HD PHE 65 -4.206 6.559 4.162 465 HE1 PHE 65 2HE PHE 65 -4.526 6.116 9.050 466 HE2 PHE 65 1HE PHE 65 -3.120 8.218 5.618 467 HZ PHE 65 HZ PHE 65 -3.280 7.999 8.066 468 H ALA 66 H ALA 66 -7.772 5.082 2.160 469 HA ALA 66 HA ALA 66 -9.010 2.462 1.820 470 HB1 ALA 66 3HB ALA 66 -8.939 4.798 -0.085 471 HB2 ALA 66 1HB ALA 66 -9.927 3.344 -0.235 472 HB3 ALA 66 2HB ALA 66 -10.220 4.479 1.084 473 H LEU 67 H LEU 67 -8.389 0.974 0.259 474 HA LEU 67 HA LEU 67 -5.800 1.474 -1.051 475 HB2 LEU 67 1HB LEU 67 -5.318 0.030 0.763 476 HB3 LEU 67 2HB LEU 67 -6.729 -0.972 0.430 477 HG LEU 67 HG LEU 67 -5.539 -1.553 -1.776 478 HD11 LEU 67 1HD1 LEU 67 -3.147 -0.634 -0.192 479 HD12 LEU 67 2HD1 LEU 67 -3.842 0.252 -1.549 480 HD13 LEU 67 3HD1 LEU 67 -3.154 -1.352 -1.804 481 HD21 LEU 67 3HD2 LEU 67 -3.882 -2.757 0.278 482 HD22 LEU 67 1HD2 LEU 67 -5.092 -3.491 -0.775 483 HD23 LEU 67 2HD2 LEU 67 -5.587 -2.719 0.731 484 H ASN 68 H ASN 68 -5.631 0.871 -3.146 485 HA ASN 68 HA ASN 68 -8.055 -0.188 -4.407 486 HB2 ASN 68 1HB ASN 68 -5.763 1.485 -5.363 487 HB3 ASN 68 2HB ASN 68 -6.678 0.534 -6.530 488 HD21 ASN 68 1HD2 ASN 68 -7.868 1.969 -7.586 489 HD22 ASN 68 2HD2 ASN 68 -8.929 3.121 -6.857 490 H ASN 69 H ASN 69 -8.133 -2.197 -5.166 491 HA ASN 69 HA ASN 69 -5.747 -3.846 -5.062 492 HB2 ASN 69 1HB ASN 69 -8.637 -4.519 -5.651 493 HB3 ASN 69 2HB ASN 69 -7.337 -5.705 -5.579 494 HD21 ASN 69 1HD2 ASN 69 -7.362 -6.785 -3.760 495 HD22 ASN 69 2HD2 ASN 69 -7.748 -6.154 -2.198 496 H THR 70 H THR 70 -7.105 -1.864 -7.314 497 HA THR 70 HA THR 70 -6.300 -3.550 -9.585 498 HB THR 70 HB THR 70 -7.558 -1.981 -11.006 499 HG1 THR 70 1HG THR 70 -8.502 -0.217 -10.181 500 HG21 THR 70 3HG2 THR 70 -8.623 -3.989 -9.865 501 HG22 THR 70 1HG2 THR 70 -9.725 -2.738 -10.437 502 HG23 THR 70 2HG2 THR 70 -9.322 -2.842 -8.723 503 H THR 71 H THR 71 -5.563 -0.658 -7.839 504 HA THR 71 HA THR 71 -3.403 -0.080 -9.759 505 HB THR 71 HB THR 71 -3.583 2.324 -9.010 506 HG1 THR 71 1HG THR 71 -5.971 2.636 -8.294 507 HG21 THR 71 3HG2 THR 71 -4.399 1.849 -11.169 508 HG22 THR 71 1HG2 THR 71 -5.700 2.738 -10.378 509 HG23 THR 71 2HG2 THR 71 -5.801 0.984 -10.539 510 H GLY 72 H GLY 72 -4.071 -1.207 -6.761 511 HA2 GLY 72 1HA GLY 72 -2.912 -1.354 -4.777 512 HA3 GLY 72 2HA GLY 72 -1.498 -1.315 -5.819 513 H LEU 73 H LEU 73 -3.800 1.317 -5.426 514 HA LEU 73 HA LEU 73 -1.617 2.952 -4.331 515 HB2 LEU 73 1HB LEU 73 -2.398 3.892 -6.342 516 HB3 LEU 73 2HB LEU 73 -4.085 3.629 -5.901 517 HG LEU 73 HG LEU 73 -3.753 5.360 -4.090 518 HD11 LEU 73 1HD1 LEU 73 -1.068 5.155 -4.982 519 HD12 LEU 73 2HD1 LEU 73 -1.729 6.165 -3.696 520 HD13 LEU 73 3HD1 LEU 73 -1.645 6.782 -5.345 521 HD21 LEU 73 3HD2 LEU 73 -4.304 7.109 -5.520 522 HD22 LEU 73 1HD2 LEU 73 -4.763 5.676 -6.439 523 HD23 LEU 73 2HD2 LEU 73 -3.257 6.516 -6.810 524 H ILE 74 H ILE 74 -1.922 4.224 -2.512 525 HA ILE 74 HA ILE 74 -4.307 3.559 -0.913 526 HB ILE 74 HB ILE 74 -1.479 4.140 -0.057 527 HG12 ILE 74 1HG1 ILE 74 -3.299 1.851 0.693 528 HG13 ILE 74 2HG1 ILE 74 -2.228 1.800 -0.703 529 HG21 ILE 74 1HG2 ILE 74 -2.872 5.439 1.400 530 HG22 ILE 74 2HG2 ILE 74 -3.970 4.081 1.635 531 HG23 ILE 74 3HG2 ILE 74 -2.329 4.009 2.276 532 HD11 ILE 74 3HD1 ILE 74 -1.557 0.869 1.706 533 HD12 ILE 74 1HD1 ILE 74 -0.385 1.517 0.559 534 HD13 ILE 74 2HD1 ILE 74 -0.990 2.530 1.870 535 H THR 75 H THR 75 -5.690 5.177 -0.704 536 HA THR 75 HA THR 75 -4.638 7.930 -0.609 537 HB THR 75 HB THR 75 -6.873 8.633 -1.548 538 HG1 THR 75 1HG THR 75 -7.830 6.484 -1.087 539 HG21 THR 75 3HG2 THR 75 -5.040 6.913 -3.217 540 HG22 THR 75 1HG2 THR 75 -4.956 8.659 -2.987 541 HG23 THR 75 2HG2 THR 75 -6.296 7.952 -3.890 542 H VAL 76 H VAL 76 -5.960 9.462 0.610 543 HA VAL 76 HA VAL 76 -6.751 8.365 3.132 544 HB VAL 76 HB VAL 76 -6.813 11.171 2.031 545 HG11 VAL 76 1HG1 VAL 76 -8.499 11.431 3.536 546 HG12 VAL 76 2HG1 VAL 76 -7.980 10.063 4.523 547 HG13 VAL 76 3HG1 VAL 76 -7.130 11.605 4.634 548 HG21 VAL 76 3HG2 VAL 76 -5.223 10.848 4.365 549 HG22 VAL 76 1HG2 VAL 76 -4.811 9.561 3.233 550 HG23 VAL 76 2HG2 VAL 76 -4.705 11.247 2.728 551 H GLN 77 H GLN 77 -8.674 7.536 3.580 552 HA GLN 77 HA GLN 77 -10.933 7.992 1.845 553 HB2 GLN 77 1HB GLN 77 -10.241 5.798 3.073 554 HB3 GLN 77 2HB GLN 77 -11.086 6.504 4.444 555 HG2 GLN 77 1HG GLN 77 -13.059 6.792 2.848 556 HG3 GLN 77 2HG GLN 77 -12.192 5.686 1.785 557 HE21 GLN 77 1HE2 GLN 77 -11.406 3.657 2.943 558 HE22 GLN 77 2HE2 GLN 77 -12.546 2.894 3.993 559 H ARG 78 H ARG 78 -10.104 8.676 5.227 560 HA ARG 78 HA ARG 78 -11.910 10.947 5.199 561 HB2 ARG 78 1HB ARG 78 -12.195 8.832 7.336 562 HB3 ARG 78 2HB ARG 78 -13.162 10.288 7.144 563 HG2 ARG 78 1HG ARG 78 -14.086 9.418 5.067 564 HG3 ARG 78 2HG ARG 78 -13.093 7.968 5.227 565 HD2 ARG 78 1HD ARG 78 -15.056 7.208 6.119 566 HD3 ARG 78 2HD ARG 78 -14.274 7.825 7.574 567 HE ARG 78 HE ARG 78 -15.758 9.909 6.496 568 HH11 ARG 78 1HH1 ARG 78 -16.321 6.751 7.850 569 HH12 ARG 78 2HH1 ARG 78 -17.895 7.149 8.457 570 HH21 ARG 78 1HH2 ARG 78 -17.829 10.444 7.291 571 HH22 ARG 78 2HH2 ARG 78 -18.751 9.249 8.138 572 H SER 79 H SER 79 -11.755 12.163 7.335 573 HA SER 79 HA SER 79 -9.214 13.032 7.808 574 HB2 SER 79 1HB SER 79 -11.549 13.877 8.694 575 HB3 SER 79 2HB SER 79 -11.103 12.954 10.130 576 HG SER 79 HG SER 79 -9.199 14.682 9.043 577 H LEU 80 H LEU 80 -7.859 12.842 9.776 578 HA LEU 80 HA LEU 80 -7.866 10.092 10.832 579 HB2 LEU 80 1HB LEU 80 -5.366 11.691 10.401 580 HB3 LEU 80 2HB LEU 80 -5.531 9.956 10.666 581 HG LEU 80 HG LEU 80 -6.683 11.155 8.189 582 HD11 LEU 80 1HD1 LEU 80 -4.023 10.210 7.715 583 HD12 LEU 80 2HD1 LEU 80 -3.991 11.519 8.895 584 HD13 LEU 80 3HD1 LEU 80 -4.741 11.771 7.319 585 HD21 LEU 80 3HD2 LEU 80 -7.135 8.837 8.615 586 HD22 LEU 80 1HD2 LEU 80 -5.427 8.512 8.911 587 HD23 LEU 80 2HD2 LEU 80 -5.973 8.947 7.291 588 H ASP 81 H ASP 81 -6.575 9.890 12.883 589 HA ASP 81 HA ASP 81 -6.718 12.336 14.509 590 HB2 ASP 81 1HB ASP 81 -7.840 9.616 15.164 591 HB3 ASP 81 2HB ASP 81 -7.481 10.805 16.413 592 H ARG 82 H ARG 82 -4.881 12.758 15.536 593 HA ARG 82 HA ARG 82 -2.757 10.786 15.528 594 HB2 ARG 82 1HB ARG 82 -2.583 13.344 15.028 595 HB3 ARG 82 2HB ARG 82 -2.525 13.500 16.779 596 HG2 ARG 82 1HG ARG 82 -0.555 12.093 16.868 597 HG3 ARG 82 2HG ARG 82 -0.632 11.847 15.122 598 HD2 ARG 82 1HD ARG 82 1.031 13.551 15.798 599 HD3 ARG 82 2HD ARG 82 -0.217 14.183 14.724 600 HE ARG 82 HE ARG 82 -1.010 14.620 17.375 601 HH11 ARG 82 1HH1 ARG 82 1.407 15.685 15.107 602 HH12 ARG 82 2HH1 ARG 82 1.572 17.255 15.821 603 HH21 ARG 82 1HH2 ARG 82 -0.801 16.684 18.324 604 HH22 ARG 82 2HH2 ARG 82 0.316 17.822 17.651 605 H GLU 83 H GLU 83 -5.040 12.133 17.749 606 HA GLU 83 HA GLU 83 -3.752 11.704 20.185 607 HB2 GLU 83 1HB GLU 83 -6.609 11.838 19.324 608 HB3 GLU 83 2HB GLU 83 -6.246 11.276 20.950 609 HG2 GLU 83 1HG GLU 83 -4.993 13.362 21.355 610 HG3 GLU 83 2HG GLU 83 -5.475 13.928 19.757 611 H GLU 84 H GLU 84 -5.167 9.464 17.956 612 HA GLU 84 HA GLU 84 -5.147 7.293 19.902 613 HB2 GLU 84 1HB GLU 84 -6.977 7.652 18.141 614 HB3 GLU 84 2HB GLU 84 -5.807 7.053 16.974 615 HG2 GLU 84 1HG GLU 84 -7.401 5.342 17.809 616 HG3 GLU 84 2HG GLU 84 -5.703 4.933 18.047 617 H THR 85 H THR 85 -3.874 7.732 16.597 618 HA THR 85 HA THR 85 -1.398 6.404 17.437 619 HB THR 85 HB THR 85 -2.710 4.639 16.411 620 HG1 THR 85 1HG THR 85 -0.657 5.628 14.695 621 HG21 THR 85 3HG2 THR 85 -3.704 4.758 14.296 622 HG22 THR 85 1HG2 THR 85 -2.773 6.183 13.836 623 HG23 THR 85 2HG2 THR 85 -4.074 6.323 15.019 624 H ALA 86 H ALA 86 0.244 7.696 16.965 625 HA ALA 86 HA ALA 86 -0.031 9.864 15.098 626 HB1 ALA 86 3HB ALA 86 2.677 9.335 16.016 627 HB2 ALA 86 1HB ALA 86 1.672 10.771 16.215 628 HB3 ALA 86 2HB ALA 86 1.511 9.419 17.337 629 H ILE 87 H ILE 87 1.654 6.768 15.182 630 HA ILE 87 HA ILE 87 2.545 7.222 12.413 631 HB ILE 87 HB ILE 87 3.590 5.253 14.451 632 HG12 ILE 87 1HG1 ILE 87 4.923 7.678 13.229 633 HG13 ILE 87 2HG1 ILE 87 4.194 7.646 14.831 634 HG21 ILE 87 1HG2 ILE 87 5.421 5.350 12.428 635 HG22 ILE 87 2HG2 ILE 87 4.206 4.091 12.641 636 HG23 ILE 87 3HG2 ILE 87 3.894 5.440 11.550 637 HD11 ILE 87 3HD1 ILE 87 6.076 6.874 15.685 638 HD12 ILE 87 1HD1 ILE 87 6.013 5.472 14.618 639 HD13 ILE 87 2HD1 ILE 87 6.818 6.949 14.087 640 H HIS 88 H HIS 88 1.777 5.985 10.811 641 HA HIS 88 HA HIS 88 0.025 3.734 11.547 642 HB2 HIS 88 1HB HIS 88 -0.124 5.778 9.362 643 HB3 HIS 88 2HB HIS 88 -0.861 4.197 9.119 644 HD1 HIS 88 1HD HIS 88 -2.592 3.525 11.187 645 HD2 HIS 88 2HD HIS 88 -1.790 7.550 10.537 646 HE1 HIS 88 1HE HIS 88 -4.464 4.774 12.308 647 HE2 HIS 88 2HE HIS 88 -4.003 7.203 11.829 648 H LYS 89 H LYS 89 0.498 1.754 10.821 649 HA LYS 89 HA LYS 89 2.603 1.503 8.773 650 HB2 LYS 89 1HB LYS 89 2.133 -0.062 11.298 651 HB3 LYS 89 2HB LYS 89 3.042 -0.752 9.959 652 HG2 LYS 89 1HG LYS 89 4.402 1.480 10.137 653 HG3 LYS 89 2HG LYS 89 3.751 1.494 11.778 654 HD2 LYS 89 1HD LYS 89 4.806 -0.530 12.330 655 HD3 LYS 89 2HD LYS 89 5.108 -0.932 10.638 656 HE2 LYS 89 1HE LYS 89 6.527 1.260 10.673 657 HE3 LYS 89 2HE LYS 89 6.530 1.003 12.417 658 HZ1 LYS 89 3HZ LYS 89 7.530 -1.137 12.107 659 HZ2 LYS 89 1HZ LYS 89 8.457 0.010 11.278 660 HZ3 LYS 89 2HZ LYS 89 7.416 -1.011 10.424 661 H VAL 90 H VAL 90 1.722 0.824 6.937 662 HA VAL 90 HA VAL 90 -0.392 -1.228 7.072 663 HB VAL 90 HB VAL 90 0.013 0.875 4.940 664 HG11 VAL 90 1HG1 VAL 90 -1.020 -1.590 4.538 665 HG12 VAL 90 2HG1 VAL 90 -2.469 -0.704 5.017 666 HG13 VAL 90 3HG1 VAL 90 -1.512 -0.154 3.641 667 HG21 VAL 90 3HG2 VAL 90 -1.201 2.190 6.261 668 HG22 VAL 90 1HG2 VAL 90 -2.543 1.061 6.065 669 HG23 VAL 90 2HG2 VAL 90 -1.435 0.887 7.426 670 H THR 91 H THR 91 -0.155 -3.056 5.894 671 HA THR 91 HA THR 91 2.248 -3.264 4.198 672 HB THR 91 HB THR 91 1.053 -5.452 5.911 673 HG1 THR 91 1HG THR 91 3.244 -5.155 6.926 674 HG21 THR 91 3HG2 THR 91 2.423 -6.922 4.907 675 HG22 THR 91 1HG2 THR 91 3.761 -5.776 4.849 676 HG23 THR 91 2HG2 THR 91 2.510 -5.734 3.607 677 H VAL 92 H VAL 92 1.949 -3.951 2.172 678 HA VAL 92 HA VAL 92 -0.696 -5.045 1.466 679 HB VAL 92 HB VAL 92 1.214 -3.463 -0.260 680 HG11 VAL 92 1HG1 VAL 92 -0.940 -3.486 -1.751 681 HG12 VAL 92 2HG1 VAL 92 0.199 -4.833 -1.802 682 HG13 VAL 92 3HG1 VAL 92 -1.289 -4.969 -0.863 683 HG21 VAL 92 3HG2 VAL 92 -0.921 -1.949 -0.278 684 HG22 VAL 92 1HG2 VAL 92 -1.274 -2.779 1.238 685 HG23 VAL 92 2HG2 VAL 92 0.221 -1.860 1.062 686 H LEU 93 H LEU 93 -0.812 -6.731 -0.056 687 HA LEU 93 HA LEU 93 1.725 -8.143 -0.549 688 HB2 LEU 93 1HB LEU 93 -0.934 -9.421 0.061 689 HB3 LEU 93 2HB LEU 93 0.592 -10.256 -0.223 690 HG LEU 93 HG LEU 93 0.238 -8.360 2.080 691 HD11 LEU 93 1HD1 LEU 93 -0.346 -11.318 2.055 692 HD12 LEU 93 2HD1 LEU 93 -1.532 -10.027 2.251 693 HD13 LEU 93 3HD1 LEU 93 -0.296 -10.284 3.483 694 HD21 LEU 93 3HD2 LEU 93 2.226 -9.156 2.826 695 HD22 LEU 93 1HD2 LEU 93 2.474 -9.445 1.104 696 HD23 LEU 93 2HD2 LEU 93 1.962 -10.766 2.155 697 H ALA 94 H ALA 94 2.047 -8.933 -2.564 698 HA ALA 94 HA ALA 94 -0.107 -8.483 -4.523 699 HB1 ALA 94 3HB ALA 94 2.053 -8.601 -6.092 700 HB2 ALA 94 1HB ALA 94 1.489 -7.104 -5.347 701 HB3 ALA 94 2HB ALA 94 2.811 -8.012 -4.612 702 H SER 95 H SER 95 -1.087 -10.363 -4.931 703 HA SER 95 HA SER 95 0.561 -12.786 -5.187 704 HB2 SER 95 1HB SER 95 -1.450 -14.064 -4.756 705 HB3 SER 95 2HB SER 95 -1.291 -12.827 -3.509 706 HG SER 95 HG SER 95 -2.929 -11.701 -4.394 707 H ASP 96 H ASP 96 0.834 -13.690 -7.118 708 HA ASP 96 HA ASP 96 -0.892 -12.789 -9.330 709 HB2 ASP 96 1HB ASP 96 1.433 -12.061 -9.581 710 HB3 ASP 96 2HB ASP 96 1.984 -13.727 -9.422 711 H GLY 97 H GLY 97 0.976 -15.566 -8.122 712 HA2 GLY 97 1HA GLY 97 -1.137 -17.363 -8.943 713 HA3 GLY 97 2HA GLY 97 0.355 -17.543 -9.854 714 H SER 98 H SER 98 1.291 -19.354 -9.165 715 HA SER 98 HA SER 98 0.988 -20.448 -6.587 716 HB2 SER 98 1HB SER 98 1.574 -21.911 -8.391 717 HB3 SER 98 2HB SER 98 3.019 -20.971 -8.765 718 HG SER 98 HG SER 98 2.595 -22.872 -6.803 719 H SER 99 H SER 99 3.508 -18.438 -8.028 720 HA SER 99 HA SER 99 5.414 -18.581 -6.006 721 HB2 SER 99 1HB SER 99 5.425 -17.380 -8.357 722 HB3 SER 99 2HB SER 99 4.941 -15.977 -7.404 723 HG SER 99 HG SER 99 6.868 -16.848 -6.035 724 H THR 100 H THR 100 5.143 -18.192 -3.919 725 HA THR 100 HA THR 100 3.117 -17.115 -2.549 726 HB THR 100 HB THR 100 4.766 -16.309 -0.818 727 HG1 THR 100 1HG THR 100 6.395 -16.023 -2.704 728 HG21 THR 100 3HG2 THR 100 5.889 -18.718 -0.726 729 HG22 THR 100 1HG2 THR 100 4.674 -19.052 -1.959 730 HG23 THR 100 2HG2 THR 100 4.180 -18.471 -0.369 731 HA PRO 101 HA PRO 101 2.659 -12.870 -3.636 732 HB2 PRO 101 1HB PRO 101 1.294 -12.022 -1.447 733 HB3 PRO 101 2HB PRO 101 0.561 -13.019 -2.710 734 HG2 PRO 101 1HG PRO 101 1.651 -13.838 -0.045 735 HG3 PRO 101 2HG PRO 101 0.161 -14.359 -0.853 736 HD2 PRO 101 1HD PRO 101 2.415 -15.860 -0.843 737 HD3 PRO 101 2HD PRO 101 1.269 -15.867 -2.199 738 H ALA 102 H ALA 102 4.006 -11.191 -3.498 739 HA ALA 102 HA ALA 102 6.084 -11.084 -1.575 740 HB1 ALA 102 3HB ALA 102 6.532 -10.208 -3.731 741 HB2 ALA 102 1HB ALA 102 5.149 -9.116 -3.650 742 HB3 ALA 102 2HB ALA 102 6.554 -8.840 -2.619 743 H ARG 103 H ARG 103 6.534 -9.290 -0.115 744 HA ARG 103 HA ARG 103 4.079 -8.086 0.984 745 HB2 ARG 103 1HB ARG 103 4.888 -8.403 3.205 746 HB3 ARG 103 2HB ARG 103 5.043 -9.946 2.377 747 HG2 ARG 103 1HG ARG 103 7.359 -9.790 2.253 748 HG3 ARG 103 2HG ARG 103 7.349 -8.046 2.526 749 HD2 ARG 103 1HD ARG 103 6.502 -8.486 4.830 750 HD3 ARG 103 2HD ARG 103 6.724 -10.209 4.530 751 HE ARG 103 HE ARG 103 8.950 -9.931 4.927 752 HH11 ARG 103 1HH1 ARG 103 7.573 -6.837 4.120 753 HH12 ARG 103 2HH1 ARG 103 9.034 -5.959 4.433 754 HH21 ARG 103 1HH2 ARG 103 10.879 -8.786 5.342 755 HH22 ARG 103 2HH2 ARG 103 10.914 -7.069 5.127 756 H ALA 104 H ALA 104 4.266 -6.010 1.900 757 HA ALA 104 HA ALA 104 6.803 -4.602 1.525 758 HB1 ALA 104 3HB ALA 104 5.216 -2.682 0.588 759 HB2 ALA 104 1HB ALA 104 5.975 -3.879 -0.462 760 HB3 ALA 104 2HB ALA 104 4.295 -4.081 0.036 761 H THR 105 H THR 105 6.993 -2.664 2.741 762 HA THR 105 HA THR 105 4.916 -2.274 4.790 763 HB THR 105 HB THR 105 7.874 -2.090 5.366 764 HG1 THR 105 1HG THR 105 6.150 -4.274 5.341 765 HG21 THR 105 3HG2 THR 105 5.533 -1.298 6.777 766 HG22 THR 105 1HG2 THR 105 7.214 -1.199 7.298 767 HG23 THR 105 2HG2 THR 105 6.267 -2.647 7.642 768 H VAL 106 H VAL 106 4.374 -0.207 5.210 769 HA VAL 106 HA VAL 106 6.081 1.927 4.114 770 HB VAL 106 HB VAL 106 3.063 1.890 3.976 771 HG11 VAL 106 1HG1 VAL 106 3.206 3.945 2.822 772 HG12 VAL 106 2HG1 VAL 106 4.255 4.114 4.231 773 HG13 VAL 106 3HG1 VAL 106 4.954 3.810 2.641 774 HG21 VAL 106 3HG2 VAL 106 4.934 1.748 1.632 775 HG22 VAL 106 1HG2 VAL 106 4.348 0.295 2.441 776 HG23 VAL 106 2HG2 VAL 106 3.205 1.407 1.688 777 H THR 107 H THR 107 6.472 3.574 5.461 778 HA THR 107 HA THR 107 5.076 3.580 8.045 779 HB THR 107 HB THR 107 7.597 5.112 7.453 780 HG1 THR 107 1HG THR 107 7.750 2.757 6.984 781 HG21 THR 107 3HG2 THR 107 7.816 5.313 9.731 782 HG22 THR 107 1HG2 THR 107 6.924 3.827 10.057 783 HG23 THR 107 2HG2 THR 107 6.058 5.291 9.590 784 H ILE 108 H ILE 108 3.610 5.097 8.417 785 HA ILE 108 HA ILE 108 3.745 7.595 6.860 786 HB ILE 108 HB ILE 108 1.333 6.209 8.034 787 HG12 ILE 108 1HG1 ILE 108 1.724 6.893 5.142 788 HG13 ILE 108 2HG1 ILE 108 2.494 5.455 5.805 789 HG21 ILE 108 1HG2 ILE 108 1.119 8.623 8.249 790 HG22 ILE 108 2HG2 ILE 108 1.506 8.822 6.541 791 HG23 ILE 108 3HG2 ILE 108 0.017 8.008 7.018 792 HD11 ILE 108 3HD1 ILE 108 -0.226 5.482 6.626 793 HD12 ILE 108 1HD1 ILE 108 -0.152 5.765 4.887 794 HD13 ILE 108 2HD1 ILE 108 0.608 4.332 5.581 795 H ASN 109 H ASN 109 3.833 9.497 7.906 796 HA ASN 109 HA ASN 109 3.675 9.429 10.846 797 HB2 ASN 109 1HB ASN 109 5.248 11.309 9.069 798 HB3 ASN 109 2HB ASN 109 5.205 11.363 10.829 799 HD21 ASN 109 1HD2 ASN 109 5.903 9.136 8.164 800 HD22 ASN 109 2HD2 ASN 109 7.227 8.346 8.943 801 H VAL 110 H VAL 110 2.514 10.988 11.930 802 HA VAL 110 HA VAL 110 0.847 12.750 10.252 803 HB VAL 110 HB VAL 110 0.119 11.309 12.802 804 HG11 VAL 110 1HG1 VAL 110 -2.119 12.653 11.737 805 HG12 VAL 110 2HG1 VAL 110 -1.310 12.940 13.279 806 HG13 VAL 110 3HG1 VAL 110 -0.813 13.834 11.842 807 HG21 VAL 110 3HG2 VAL 110 -1.785 10.538 11.272 808 HG22 VAL 110 1HG2 VAL 110 -0.784 11.129 9.945 809 HG23 VAL 110 2HG2 VAL 110 -0.186 9.847 10.998 810 H THR 111 H THR 111 1.640 14.746 10.450 811 HA THR 111 HA THR 111 2.555 15.661 13.088 812 HB THR 111 HB THR 111 4.307 16.239 11.757 813 HG1 THR 111 1HG THR 111 3.751 18.260 12.377 814 HG21 THR 111 3HG2 THR 111 3.603 15.265 9.713 815 HG22 THR 111 1HG2 THR 111 4.011 16.939 9.339 816 HG23 THR 111 2HG2 THR 111 2.322 16.458 9.502 817 H ASP 112 H ASP 112 2.178 18.095 13.431 818 HA ASP 112 HA ASP 112 -0.581 18.552 13.640 819 HB2 ASP 112 1HB ASP 112 1.272 19.594 15.032 820 HB3 ASP 112 2HB ASP 112 1.536 20.703 13.689 821 H VAL 113 H VAL 113 -1.645 20.602 12.777 822 HA VAL 113 HA VAL 113 -1.044 20.845 9.900 823 HB VAL 113 HB VAL 113 -3.754 21.520 10.927 824 HG11 VAL 113 1HG1 VAL 113 -2.462 21.065 8.413 825 HG12 VAL 113 2HG1 VAL 113 -3.807 19.939 8.600 826 HG13 VAL 113 3HG1 VAL 113 -4.084 21.675 8.737 827 HG21 VAL 113 3HG2 VAL 113 -2.550 18.819 11.005 828 HG22 VAL 113 1HG2 VAL 113 -3.854 19.510 11.970 829 HG23 VAL 113 2HG2 VAL 113 -4.175 18.943 10.331 830 H ASN 114 H ASN 114 -2.180 22.567 12.775 831 HA ASN 114 HA ASN 114 -2.133 25.128 11.457 832 HB2 ASN 114 1HB ASN 114 -2.519 24.321 14.344 833 HB3 ASN 114 2HB ASN 114 -2.557 25.993 13.793 834 HD21 ASN 114 1HD2 ASN 114 -4.471 23.581 14.682 835 HD22 ASN 114 2HD2 ASN 114 -5.869 23.900 13.718 Start of MODEL 7 1 H1 GLY 1 H GLY 1 19.616 -16.916 -27.268 2 HA2 GLY 1 1HA GLY 1 18.504 -17.918 -29.370 3 HA3 GLY 1 2HA GLY 1 19.998 -18.839 -29.463 4 H SER 2 H SER 2 16.930 -18.516 -27.936 5 HA SER 2 HA SER 2 15.765 -19.822 -26.480 6 HB2 SER 2 1HB SER 2 17.641 -21.844 -27.703 7 HB3 SER 2 2HB SER 2 16.392 -22.302 -26.545 8 HG SER 2 HG SER 2 16.162 -21.493 -29.183 9 H SER 3 H SER 3 17.791 -18.306 -25.312 10 HA SER 3 HA SER 3 18.861 -20.101 -23.238 11 HB2 SER 3 1HB SER 3 19.794 -17.320 -23.989 12 HB3 SER 3 2HB SER 3 20.535 -18.374 -22.785 13 HG SER 3 HG SER 3 21.166 -19.759 -24.393 14 H GLY 4 H GLY 4 16.918 -20.136 -22.032 15 HA2 GLY 4 1HA GLY 4 15.431 -17.931 -21.214 16 HA3 GLY 4 2HA GLY 4 15.555 -19.441 -20.322 17 H SER 5 H SER 5 15.277 -17.779 -18.542 18 HA SER 5 HA SER 5 17.948 -16.932 -17.645 19 HB2 SER 5 1HB SER 5 16.948 -14.922 -16.630 20 HB3 SER 5 2HB SER 5 16.707 -14.944 -18.377 21 HG SER 5 HG SER 5 14.725 -16.082 -16.777 22 H SER 6 H SER 6 18.451 -17.386 -15.564 23 HA SER 6 HA SER 6 17.259 -19.408 -14.175 24 HB2 SER 6 1HB SER 6 18.484 -18.634 -12.192 25 HB3 SER 6 2HB SER 6 19.489 -18.508 -13.636 26 HG SER 6 HG SER 6 18.826 -16.259 -13.707 27 H GLY 7 H GLY 7 15.839 -19.577 -12.418 28 HA2 GLY 7 1HA GLY 7 14.242 -18.813 -10.878 29 HA3 GLY 7 2HA GLY 7 14.374 -17.205 -11.574 30 H ASN 8 H ASN 8 12.479 -19.955 -11.351 31 HA ASN 8 HA ASN 8 11.101 -19.529 -13.883 32 HB2 ASN 8 1HB ASN 8 9.686 -21.476 -13.054 33 HB3 ASN 8 2HB ASN 8 11.384 -21.826 -13.361 34 HD21 ASN 8 1HD2 ASN 8 12.802 -22.048 -11.580 35 HD22 ASN 8 2HD2 ASN 8 12.199 -22.476 -10.018 36 H ASP 9 H ASP 9 10.327 -19.537 -10.409 37 HA ASP 9 HA ASP 9 7.679 -18.620 -10.688 38 HB2 ASP 9 1HB ASP 9 9.645 -18.753 -8.441 39 HB3 ASP 9 2HB ASP 9 8.185 -17.791 -8.228 40 H ASN 10 H ASN 10 7.176 -16.785 -11.699 41 HA ASN 10 HA ASN 10 8.918 -14.467 -11.515 42 HB2 ASN 10 1HB ASN 10 6.298 -14.737 -13.001 43 HB3 ASN 10 2HB ASN 10 7.522 -13.491 -13.228 44 HD21 ASN 10 1HD2 ASN 10 6.618 -14.939 -15.348 45 HD22 ASN 10 2HD2 ASN 10 7.864 -15.994 -15.913 46 H ARG 11 H ARG 11 8.693 -13.732 -9.416 47 HA ARG 11 HA ARG 11 6.002 -13.003 -8.511 48 HB2 ARG 11 1HB ARG 11 7.491 -12.420 -6.379 49 HB3 ARG 11 2HB ARG 11 6.926 -14.053 -6.708 50 HG2 ARG 11 1HG ARG 11 9.017 -14.759 -7.450 51 HG3 ARG 11 2HG ARG 11 9.586 -13.108 -7.704 52 HD2 ARG 11 1HD ARG 11 9.162 -14.557 -5.104 53 HD3 ARG 11 2HD ARG 11 10.659 -13.881 -5.745 54 HE ARG 11 HE ARG 11 9.026 -11.725 -5.500 55 HH11 ARG 11 1HH1 ARG 11 10.067 -14.238 -3.329 56 HH12 ARG 11 2HH1 ARG 11 9.974 -13.238 -1.917 57 HH21 ARG 11 1HH2 ARG 11 8.899 -10.397 -3.650 58 HH22 ARG 11 2HH2 ARG 11 9.309 -11.053 -2.101 59 HA PRO 12 HA PRO 12 6.667 -8.748 -9.440 60 HB2 PRO 12 1HB PRO 12 4.826 -7.669 -7.762 61 HB3 PRO 12 2HB PRO 12 4.389 -8.513 -9.253 62 HG2 PRO 12 1HG PRO 12 4.384 -9.522 -6.435 63 HG3 PRO 12 2HG PRO 12 3.176 -9.761 -7.711 64 HD2 PRO 12 1HD PRO 12 5.008 -11.649 -7.066 65 HD3 PRO 12 2HD PRO 12 4.389 -11.443 -8.718 66 H VAL 13 H VAL 13 8.395 -7.641 -8.788 67 HA VAL 13 HA VAL 13 9.304 -7.723 -6.054 68 HB VAL 13 HB VAL 13 10.922 -7.755 -7.899 69 HG11 VAL 13 1HG1 VAL 13 11.214 -6.038 -9.429 70 HG12 VAL 13 2HG1 VAL 13 9.457 -6.117 -9.274 71 HG13 VAL 13 3HG1 VAL 13 10.363 -4.863 -8.426 72 HG21 VAL 13 3HG2 VAL 13 11.335 -5.162 -6.456 73 HG22 VAL 13 1HG2 VAL 13 11.348 -6.695 -5.584 74 HG23 VAL 13 2HG2 VAL 13 12.515 -6.405 -6.874 75 H PHE 14 H PHE 14 9.004 -6.237 -4.512 76 HA PHE 14 HA PHE 14 7.356 -3.916 -5.148 77 HB2 PHE 14 1HB PHE 14 7.982 -5.461 -2.682 78 HB3 PHE 14 2HB PHE 14 7.583 -3.757 -2.490 79 HD1 PHE 14 1HD PHE 14 5.535 -3.300 -4.474 80 HD2 PHE 14 2HD PHE 14 6.167 -6.683 -1.970 81 HE1 PHE 14 1HE PHE 14 3.140 -3.845 -4.613 82 HE2 PHE 14 2HE PHE 14 3.773 -7.234 -2.105 83 HZ PHE 14 HZ PHE 14 2.256 -5.815 -3.428 84 H LYS 15 H LYS 15 8.529 -2.251 -5.889 85 HA LYS 15 HA LYS 15 11.189 -1.694 -4.977 86 HB2 LYS 15 1HB LYS 15 10.005 -1.161 -7.276 87 HB3 LYS 15 2HB LYS 15 9.554 0.327 -6.453 88 HG2 LYS 15 1HG LYS 15 11.822 0.946 -6.144 89 HG3 LYS 15 2HG LYS 15 12.392 -0.646 -6.651 90 HD2 LYS 15 1HD LYS 15 11.106 -0.050 -8.863 91 HD3 LYS 15 2HD LYS 15 11.325 1.606 -8.292 92 HE2 LYS 15 1HE LYS 15 13.678 -0.212 -8.276 93 HE3 LYS 15 2HE LYS 15 13.117 0.406 -9.828 94 HZ1 LYS 15 3HZ LYS 15 13.147 2.601 -8.219 95 HZ2 LYS 15 1HZ LYS 15 14.328 2.194 -9.360 96 HZ3 LYS 15 2HZ LYS 15 14.532 1.756 -7.740 97 H GLU 16 H GLU 16 11.873 -0.248 -3.490 98 HA GLU 16 HA GLU 16 11.824 1.192 -1.729 99 HB2 GLU 16 1HB GLU 16 9.421 2.218 -3.241 100 HB3 GLU 16 2HB GLU 16 10.060 2.999 -1.801 101 HG2 GLU 16 1HG GLU 16 11.320 2.725 -4.502 102 HG3 GLU 16 2HG GLU 16 10.979 4.189 -3.580 103 H GLY 17 H GLY 17 10.790 -1.320 -1.244 104 HA2 GLY 17 1HA GLY 17 8.316 -1.719 -0.237 105 HA3 GLY 17 2HA GLY 17 9.755 -2.346 0.554 106 H GLN 18 H GLN 18 10.933 -0.566 1.895 107 HA GLN 18 HA GLN 18 8.916 0.529 3.695 108 HB2 GLN 18 1HB GLN 18 11.067 -0.882 4.314 109 HB3 GLN 18 2HB GLN 18 11.840 0.696 4.266 110 HG2 GLN 18 1HG GLN 18 10.349 1.532 5.959 111 HG3 GLN 18 2HG GLN 18 9.434 0.025 5.943 112 HE21 GLN 18 1HE2 GLN 18 11.504 1.684 7.730 113 HE22 GLN 18 2HE2 GLN 18 12.384 0.406 8.490 114 H VAL 19 H VAL 19 8.424 2.619 3.770 115 HA VAL 19 HA VAL 19 10.386 4.644 3.100 116 HB VAL 19 HB VAL 19 7.855 4.320 1.488 117 HG11 VAL 19 1HG1 VAL 19 9.013 6.433 0.352 118 HG12 VAL 19 2HG1 VAL 19 7.838 6.586 1.659 119 HG13 VAL 19 3HG1 VAL 19 9.564 6.683 2.008 120 HG21 VAL 19 3HG2 VAL 19 9.657 2.964 0.653 121 HG22 VAL 19 1HG2 VAL 19 9.445 4.347 -0.421 122 HG23 VAL 19 2HG2 VAL 19 10.776 4.325 0.737 123 H GLU 20 H GLU 20 10.071 6.482 4.228 124 HA GLU 20 HA GLU 20 7.708 6.592 5.955 125 HB2 GLU 20 1HB GLU 20 9.759 6.733 7.170 126 HB3 GLU 20 2HB GLU 20 10.394 7.960 6.083 127 HG2 GLU 20 1HG GLU 20 8.258 9.279 6.928 128 HG3 GLU 20 2HG GLU 20 8.468 8.214 8.318 129 H VAL 21 H VAL 21 6.087 7.899 5.463 130 HA VAL 21 HA VAL 21 6.638 10.259 3.783 131 HB VAL 21 HB VAL 21 4.300 10.077 2.975 132 HG11 VAL 21 1HG1 VAL 21 4.954 7.554 1.992 133 HG12 VAL 21 2HG1 VAL 21 5.362 9.113 1.274 134 HG13 VAL 21 3HG1 VAL 21 6.502 8.315 2.359 135 HG21 VAL 21 3HG2 VAL 21 2.922 8.237 3.452 136 HG22 VAL 21 1HG2 VAL 21 4.249 7.320 4.165 137 HG23 VAL 21 2HG2 VAL 21 3.584 8.715 5.015 138 H HIS 22 H HIS 22 5.374 12.148 4.176 139 HA HIS 22 HA HIS 22 4.330 12.286 6.928 140 HB2 HIS 22 1HB HIS 22 5.206 14.421 7.172 141 HB3 HIS 22 2HB HIS 22 6.439 13.641 6.186 142 HD1 HIS 22 1HD HIS 22 5.910 14.041 3.445 143 HD2 HIS 22 2HD HIS 22 4.515 16.831 6.190 144 HE1 HIS 22 1HE HIS 22 5.491 16.137 2.120 145 HE2 HIS 22 2HE HIS 22 4.729 17.836 3.816 146 H ILE 23 H ILE 23 2.268 12.848 7.213 147 HA ILE 23 HA ILE 23 0.871 14.417 5.201 148 HB ILE 23 HB ILE 23 0.572 12.035 4.520 149 HG12 ILE 23 1HG1 ILE 23 -1.853 13.591 5.432 150 HG13 ILE 23 2HG1 ILE 23 -1.092 13.633 3.845 151 HG21 ILE 23 1HG2 ILE 23 -1.189 11.687 6.915 152 HG22 ILE 23 2HG2 ILE 23 -0.513 10.464 5.840 153 HG23 ILE 23 3HG2 ILE 23 0.529 11.296 6.995 154 HD11 ILE 23 3HD1 ILE 23 -2.997 11.711 4.984 155 HD12 ILE 23 1HD1 ILE 23 -2.764 12.235 3.317 156 HD13 ILE 23 2HD1 ILE 23 -1.696 11.018 4.017 157 HA PRO 24 HA PRO 24 -0.883 16.111 8.883 158 HB2 PRO 24 1HB PRO 24 -2.877 17.539 7.720 159 HB3 PRO 24 2HB PRO 24 -1.182 18.034 7.663 160 HG2 PRO 24 1HG PRO 24 -2.813 16.621 5.588 161 HG3 PRO 24 2HG PRO 24 -1.656 17.950 5.388 162 HD2 PRO 24 1HD PRO 24 -1.021 15.373 4.854 163 HD3 PRO 24 2HD PRO 24 0.167 16.542 5.465 164 H GLU 25 H GLU 25 -2.643 15.817 10.246 165 HA GLU 25 HA GLU 25 -4.177 13.466 9.847 166 HB2 GLU 25 1HB GLU 25 -5.285 14.088 11.965 167 HB3 GLU 25 2HB GLU 25 -3.532 14.156 12.079 168 HG2 GLU 25 1HG GLU 25 -3.636 16.599 11.767 169 HG3 GLU 25 2HG GLU 25 -5.396 16.496 11.757 170 H ASN 26 H ASN 26 -4.783 16.865 9.332 171 HA ASN 26 HA ASN 26 -7.620 16.440 8.869 172 HB2 ASN 26 1HB ASN 26 -5.824 18.815 9.062 173 HB3 ASN 26 2HB ASN 26 -7.319 18.980 8.145 174 HD21 ASN 26 1HD2 ASN 26 -6.985 20.516 10.318 175 HD22 ASN 26 2HD2 ASN 26 -8.009 19.987 11.605 176 H ALA 27 H ALA 27 -5.068 15.643 7.137 177 HA ALA 27 HA ALA 27 -5.019 16.760 4.684 178 HB1 ALA 27 3HB ALA 27 -4.675 14.002 5.657 179 HB2 ALA 27 1HB ALA 27 -4.955 14.175 3.924 180 HB3 ALA 27 2HB ALA 27 -3.600 15.009 4.687 181 HA PRO 28 HA PRO 28 -9.054 16.543 2.932 182 HB2 PRO 28 1HB PRO 28 -8.387 16.771 0.310 183 HB3 PRO 28 2HB PRO 28 -8.325 18.130 1.439 184 HG2 PRO 28 1HG PRO 28 -6.105 16.377 0.460 185 HG3 PRO 28 2HG PRO 28 -6.129 18.137 0.674 186 HD2 PRO 28 1HD PRO 28 -4.983 16.467 2.471 187 HD3 PRO 28 2HD PRO 28 -5.758 17.993 2.944 188 H VAL 29 H VAL 29 -10.350 14.870 2.513 189 HA VAL 29 HA VAL 29 -9.524 12.257 2.193 190 HB VAL 29 HB VAL 29 -12.116 13.606 1.487 191 HG11 VAL 29 1HG1 VAL 29 -11.186 10.969 0.661 192 HG12 VAL 29 2HG1 VAL 29 -12.704 10.927 1.560 193 HG13 VAL 29 3HG1 VAL 29 -12.568 11.910 0.102 194 HG21 VAL 29 3HG2 VAL 29 -11.981 13.452 3.784 195 HG22 VAL 29 1HG2 VAL 29 -12.802 11.944 3.379 196 HG23 VAL 29 2HG2 VAL 29 -11.074 11.940 3.736 197 H GLY 30 H GLY 30 -8.558 11.219 0.584 198 HA2 GLY 30 1HA GLY 30 -8.623 10.432 -1.698 199 HA3 GLY 30 2HA GLY 30 -9.174 12.028 -2.183 200 H THR 31 H THR 31 -6.687 12.027 0.147 201 HA THR 31 HA THR 31 -4.860 13.245 -1.707 202 HB THR 31 HB THR 31 -4.439 12.486 1.191 203 HG1 THR 31 1HG THR 31 -6.064 14.234 0.319 204 HG21 THR 31 3HG2 THR 31 -2.833 14.665 0.496 205 HG22 THR 31 1HG2 THR 31 -2.651 13.516 -0.829 206 HG23 THR 31 2HG2 THR 31 -2.303 13.016 0.826 207 H SER 32 H SER 32 -2.969 12.440 -2.515 208 HA SER 32 HA SER 32 -2.729 9.572 -2.619 209 HB2 SER 32 1HB SER 32 -0.804 10.062 -4.143 210 HB3 SER 32 2HB SER 32 -2.314 10.820 -4.648 211 HG SER 32 HG SER 32 0.033 11.973 -4.032 212 H VAL 33 H VAL 33 -1.834 8.514 -0.978 213 HA VAL 33 HA VAL 33 0.176 9.759 0.696 214 HB VAL 33 HB VAL 33 -0.962 6.962 0.827 215 HG11 VAL 33 1HG1 VAL 33 -0.035 6.848 3.036 216 HG12 VAL 33 2HG1 VAL 33 1.255 7.288 1.914 217 HG13 VAL 33 3HG1 VAL 33 0.519 8.519 2.941 218 HG21 VAL 33 3HG2 VAL 33 -1.902 8.455 2.976 219 HG22 VAL 33 1HG2 VAL 33 -2.053 9.529 1.586 220 HG23 VAL 33 2HG2 VAL 33 -2.823 7.942 1.563 221 H ILE 34 H ILE 34 0.099 6.485 -0.696 222 HA ILE 34 HA ILE 34 2.801 6.904 -1.753 223 HB ILE 34 HB ILE 34 3.093 5.845 0.435 224 HG12 ILE 34 1HG1 ILE 34 4.171 3.652 -0.472 225 HG13 ILE 34 2HG1 ILE 34 3.682 4.263 -2.049 226 HG21 ILE 34 1HG2 ILE 34 0.853 4.254 -0.471 227 HG22 ILE 34 2HG2 ILE 34 2.181 3.247 0.102 228 HG23 ILE 34 3HG2 ILE 34 1.490 4.479 1.157 229 HD11 ILE 34 3HD1 ILE 34 5.001 6.266 -1.703 230 HD12 ILE 34 1HD1 ILE 34 5.458 5.704 -0.095 231 HD13 ILE 34 2HD1 ILE 34 5.996 4.821 -1.524 232 H GLN 35 H GLN 35 3.282 5.754 -3.591 233 HA GLN 35 HA GLN 35 1.079 4.154 -4.716 234 HB2 GLN 35 1HB GLN 35 1.681 6.397 -5.810 235 HB3 GLN 35 2HB GLN 35 3.153 5.600 -6.350 236 HG2 GLN 35 1HG GLN 35 1.960 4.077 -7.689 237 HG3 GLN 35 2HG GLN 35 0.425 4.497 -6.932 238 HE21 GLN 35 1HE2 GLN 35 0.137 4.590 -9.433 239 HE22 GLN 35 2HE2 GLN 35 0.271 6.172 -10.115 240 H LEU 36 H LEU 36 1.619 2.077 -4.439 241 HA LEU 36 HA LEU 36 4.354 1.182 -4.557 242 HB2 LEU 36 1HB LEU 36 1.735 -0.265 -4.239 243 HB3 LEU 36 2HB LEU 36 3.293 -1.087 -4.285 244 HG LEU 36 HG LEU 36 2.798 1.063 -2.265 245 HD11 LEU 36 1HD1 LEU 36 2.081 -1.825 -1.827 246 HD12 LEU 36 2HD1 LEU 36 0.896 -0.579 -2.215 247 HD13 LEU 36 3HD1 LEU 36 1.840 -0.467 -0.729 248 HD21 LEU 36 3HD2 LEU 36 4.432 -0.175 -0.995 249 HD22 LEU 36 1HD2 LEU 36 5.063 0.133 -2.613 250 HD23 LEU 36 2HD2 LEU 36 4.442 -1.465 -2.198 251 H HIS 37 H HIS 37 5.407 0.566 -6.320 252 HA HIS 37 HA HIS 37 3.843 -0.090 -8.728 253 HB2 HIS 37 1HB HIS 37 5.522 1.931 -8.610 254 HB3 HIS 37 2HB HIS 37 6.735 0.676 -8.847 255 HD1 HIS 37 1HD HIS 37 5.881 2.992 -10.906 256 HD2 HIS 37 2HD HIS 37 4.833 -1.024 -11.079 257 HE1 HIS 37 1HE HIS 37 5.339 2.542 -13.320 258 HE2 HIS 37 2HE HIS 37 4.626 0.128 -13.385 259 H ALA 38 H ALA 38 3.694 -2.235 -8.906 260 HA ALA 38 HA ALA 38 6.176 -3.803 -8.713 261 HB1 ALA 38 3HB ALA 38 5.371 -4.921 -6.973 262 HB2 ALA 38 1HB ALA 38 3.839 -4.052 -7.070 263 HB3 ALA 38 2HB ALA 38 4.078 -5.527 -8.008 264 H THR 39 H THR 39 6.480 -3.997 -10.897 265 HA THR 39 HA THR 39 4.393 -5.473 -12.363 266 HB THR 39 HB THR 39 5.125 -4.340 -14.435 267 HG1 THR 39 1HG THR 39 7.093 -3.520 -14.167 268 HG21 THR 39 3HG2 THR 39 3.199 -3.385 -13.507 269 HG22 THR 39 1HG2 THR 39 4.271 -2.008 -13.761 270 HG23 THR 39 2HG2 THR 39 4.085 -2.695 -12.147 271 H ASP 40 H ASP 40 5.026 -7.331 -13.258 272 HA ASP 40 HA ASP 40 7.920 -7.864 -13.429 273 HB2 ASP 40 1HB ASP 40 6.540 -9.211 -11.758 274 HB3 ASP 40 2HB ASP 40 5.775 -9.967 -13.154 275 H ALA 41 H ALA 41 8.337 -9.766 -15.028 276 HA ALA 41 HA ALA 41 8.088 -8.963 -17.589 277 HB1 ALA 41 3HB ALA 41 9.042 -11.223 -16.372 278 HB2 ALA 41 1HB ALA 41 7.758 -11.857 -17.403 279 HB3 ALA 41 2HB ALA 41 9.066 -10.905 -18.107 280 H ASP 42 H ASP 42 6.334 -8.306 -18.646 281 HA ASP 42 HA ASP 42 3.815 -9.770 -18.288 282 HB2 ASP 42 1HB ASP 42 4.150 -7.149 -18.073 283 HB3 ASP 42 2HB ASP 42 3.964 -7.213 -19.823 284 H ILE 43 H ILE 43 5.635 -11.131 -19.786 285 HA ILE 43 HA ILE 43 5.042 -10.606 -22.596 286 HB ILE 43 HB ILE 43 6.564 -12.749 -22.804 287 HG12 ILE 43 1HG1 ILE 43 7.503 -11.625 -20.162 288 HG13 ILE 43 2HG1 ILE 43 6.519 -13.078 -20.296 289 HG21 ILE 43 1HG2 ILE 43 7.935 -10.233 -21.935 290 HG22 ILE 43 2HG2 ILE 43 8.370 -11.349 -23.228 291 HG23 ILE 43 3HG2 ILE 43 6.980 -10.280 -23.417 292 HD11 ILE 43 3HD1 ILE 43 8.225 -14.300 -21.252 293 HD12 ILE 43 1HD1 ILE 43 9.088 -12.862 -21.798 294 HD13 ILE 43 2HD1 ILE 43 9.080 -13.290 -20.086 295 H GLY 44 H GLY 44 3.121 -11.357 -23.244 296 HA2 GLY 44 1HA GLY 44 2.081 -13.431 -24.077 297 HA3 GLY 44 2HA GLY 44 2.429 -14.134 -22.504 298 H SER 45 H SER 45 1.274 -13.296 -20.646 299 HA SER 45 HA SER 45 -1.367 -12.231 -21.403 300 HB2 SER 45 1HB SER 45 -1.312 -14.576 -20.488 301 HB3 SER 45 2HB SER 45 -0.725 -13.905 -18.967 302 HG SER 45 HG SER 45 -2.759 -12.473 -19.378 303 H ASN 46 H ASN 46 -2.242 -10.549 -20.259 304 HA ASN 46 HA ASN 46 -0.375 -8.951 -18.731 305 HB2 ASN 46 1HB ASN 46 -3.211 -8.455 -19.653 306 HB3 ASN 46 2HB ASN 46 -2.277 -7.294 -18.714 307 HD21 ASN 46 1HD2 ASN 46 -2.655 -8.861 -21.782 308 HD22 ASN 46 2HD2 ASN 46 -1.599 -7.824 -22.673 309 H ALA 47 H ALA 47 -0.196 -10.414 -16.914 310 HA ALA 47 HA ALA 47 -2.298 -11.242 -15.287 311 HB1 ALA 47 3HB ALA 47 0.074 -12.018 -15.155 312 HB2 ALA 47 1HB ALA 47 0.461 -10.511 -14.322 313 HB3 ALA 47 2HB ALA 47 -0.666 -11.657 -13.595 314 H GLU 48 H GLU 48 -3.646 -10.205 -13.971 315 HA GLU 48 HA GLU 48 -3.145 -7.378 -13.401 316 HB2 GLU 48 1HB GLU 48 -5.594 -9.095 -13.489 317 HB3 GLU 48 2HB GLU 48 -5.612 -7.625 -12.526 318 HG2 GLU 48 1HG GLU 48 -5.130 -6.286 -14.457 319 HG3 GLU 48 2HG GLU 48 -4.917 -7.726 -15.450 320 H ILE 49 H ILE 49 -1.597 -7.698 -11.743 321 HA ILE 49 HA ILE 49 -1.977 -9.298 -9.471 322 HB ILE 49 HB ILE 49 -0.404 -6.724 -9.616 323 HG12 ILE 49 1HG1 ILE 49 0.819 -9.433 -9.951 324 HG13 ILE 49 2HG1 ILE 49 0.020 -8.688 -11.331 325 HG21 ILE 49 1HG2 ILE 49 -0.928 -8.494 -7.482 326 HG22 ILE 49 2HG2 ILE 49 0.752 -8.738 -7.959 327 HG23 ILE 49 3HG2 ILE 49 0.186 -7.127 -7.516 328 HD11 ILE 49 3HD1 ILE 49 1.495 -6.674 -10.909 329 HD12 ILE 49 1HD1 ILE 49 2.413 -7.709 -9.816 330 HD13 ILE 49 2HD1 ILE 49 2.284 -8.125 -11.525 331 H ARG 50 H ARG 50 -3.289 -9.103 -7.784 332 HA ARG 50 HA ARG 50 -4.656 -6.536 -7.364 333 HB2 ARG 50 1HB ARG 50 -5.424 -9.384 -6.941 334 HB3 ARG 50 2HB ARG 50 -6.104 -8.180 -5.854 335 HG2 ARG 50 1HG ARG 50 -6.248 -7.796 -8.814 336 HG3 ARG 50 2HG ARG 50 -7.403 -8.840 -7.983 337 HD2 ARG 50 1HD ARG 50 -6.895 -6.091 -6.938 338 HD3 ARG 50 2HD ARG 50 -7.923 -6.299 -8.355 339 HE ARG 50 HE ARG 50 -8.639 -6.809 -5.671 340 HH11 ARG 50 1HH1 ARG 50 -9.031 -8.081 -8.888 341 HH12 ARG 50 2HH1 ARG 50 -10.556 -8.829 -8.547 342 HH21 ARG 50 1HH2 ARG 50 -10.646 -7.790 -5.210 343 HH22 ARG 50 2HH2 ARG 50 -11.474 -8.662 -6.455 344 H TYR 51 H TYR 51 -4.202 -5.361 -5.624 345 HA TYR 51 HA TYR 51 -2.412 -6.454 -3.608 346 HB2 TYR 51 1HB TYR 51 -3.477 -3.634 -3.777 347 HB3 TYR 51 2HB TYR 51 -2.052 -4.196 -2.909 348 HD1 TYR 51 1HD TYR 51 -3.444 -3.452 -6.235 349 HD2 TYR 51 2HD TYR 51 0.039 -4.523 -4.039 350 HE1 TYR 51 1HE TYR 51 -2.056 -2.940 -8.200 351 HE2 TYR 51 2HE TYR 51 1.437 -4.014 -5.997 352 HH TYR 51 HH TYR 51 1.461 -3.014 -8.033 353 H ILE 52 H ILE 52 -3.029 -7.091 -1.648 354 HA ILE 52 HA ILE 52 -5.656 -6.220 -0.644 355 HB ILE 52 HB ILE 52 -6.005 -8.444 0.334 356 HG12 ILE 52 1HG1 ILE 52 -3.825 -9.576 -1.369 357 HG13 ILE 52 2HG1 ILE 52 -3.398 -8.870 0.186 358 HG21 ILE 52 1HG2 ILE 52 -5.485 -8.733 -2.614 359 HG22 ILE 52 2HG2 ILE 52 -6.723 -9.526 -1.643 360 HG23 ILE 52 3HG2 ILE 52 -6.829 -7.796 -1.964 361 HD11 ILE 52 3HD1 ILE 52 -5.288 -10.407 1.091 362 HD12 ILE 52 1HD1 ILE 52 -5.025 -11.291 -0.412 363 HD13 ILE 52 2HD1 ILE 52 -3.697 -11.077 0.730 364 H PHE 53 H PHE 53 -5.893 -6.445 1.715 365 HA PHE 53 HA PHE 53 -3.750 -5.247 3.085 366 HB2 PHE 53 1HB PHE 53 -6.351 -6.473 3.936 367 HB3 PHE 53 2HB PHE 53 -5.176 -5.982 5.151 368 HD1 PHE 53 2HD PHE 53 -4.223 -3.534 4.801 369 HD2 PHE 53 1HD PHE 53 -7.942 -4.954 3.294 370 HE1 PHE 53 2HE PHE 53 -5.046 -1.220 4.662 371 HE2 PHE 53 1HE PHE 53 -8.771 -2.641 3.152 372 HZ PHE 53 HZ PHE 53 -7.323 -0.771 3.838 373 H GLY 54 H GLY 54 -2.206 -6.029 4.460 374 HA2 GLY 54 1HA GLY 54 -1.319 -8.691 4.073 375 HA3 GLY 54 2HA GLY 54 -0.674 -7.551 5.243 376 H ALA 55 H ALA 55 -0.450 -9.154 6.824 377 HA ALA 55 HA ALA 55 -2.945 -10.344 7.823 378 HB1 ALA 55 3HB ALA 55 -0.755 -11.416 9.222 379 HB2 ALA 55 1HB ALA 55 -1.746 -12.202 7.992 380 HB3 ALA 55 2HB ALA 55 -0.279 -11.341 7.526 381 H GLN 56 H GLN 56 -3.417 -10.298 10.070 382 HA GLN 56 HA GLN 56 -3.764 -9.171 12.020 383 HB2 GLN 56 1HB GLN 56 -0.783 -9.289 11.765 384 HB3 GLN 56 2HB GLN 56 -1.505 -8.416 13.110 385 HG2 GLN 56 1HG GLN 56 -2.761 -10.493 13.684 386 HG3 GLN 56 2HG GLN 56 -1.824 -11.330 12.448 387 HE21 GLN 56 1HE2 GLN 56 -0.238 -12.466 13.276 388 HE22 GLN 56 2HE2 GLN 56 0.723 -12.038 14.647 389 H VAL 57 H VAL 57 -4.449 -7.567 10.023 390 HA VAL 57 HA VAL 57 -3.096 -4.996 10.412 391 HB VAL 57 HB VAL 57 -5.283 -5.638 8.433 392 HG11 VAL 57 1HG1 VAL 57 -4.538 -3.215 9.203 393 HG12 VAL 57 2HG1 VAL 57 -3.253 -3.508 8.029 394 HG13 VAL 57 3HG1 VAL 57 -4.942 -3.575 7.525 395 HG21 VAL 57 3HG2 VAL 57 -2.561 -5.353 7.405 396 HG22 VAL 57 1HG2 VAL 57 -2.797 -6.777 8.418 397 HG23 VAL 57 2HG2 VAL 57 -3.811 -6.529 6.997 398 H ALA 58 H ALA 58 -4.023 -3.310 11.427 399 HA ALA 58 HA ALA 58 -6.275 -3.731 13.091 400 HB1 ALA 58 3HB ALA 58 -4.983 -1.107 12.357 401 HB2 ALA 58 1HB ALA 58 -6.008 -1.428 13.756 402 HB3 ALA 58 2HB ALA 58 -4.421 -2.188 13.632 403 HA PRO 59 HA PRO 59 -9.609 -2.730 10.394 404 HB2 PRO 59 1HB PRO 59 -11.453 -2.000 12.248 405 HB3 PRO 59 2HB PRO 59 -10.975 -3.680 11.979 406 HG2 PRO 59 1HG PRO 59 -10.068 -1.769 14.097 407 HG3 PRO 59 2HG PRO 59 -10.500 -3.482 14.246 408 HD2 PRO 59 1HD PRO 59 -7.932 -2.633 14.133 409 HD3 PRO 59 2HD PRO 59 -8.450 -4.197 13.473 410 H ALA 60 H ALA 60 -8.940 -0.409 13.010 411 HA ALA 60 HA ALA 60 -10.286 1.800 12.113 412 HB1 ALA 60 3HB ALA 60 -8.380 1.296 14.059 413 HB2 ALA 60 1HB ALA 60 -7.646 2.541 13.048 414 HB3 ALA 60 2HB ALA 60 -9.225 2.820 13.784 415 H THR 61 H THR 61 -6.939 0.919 11.252 416 HA THR 61 HA THR 61 -6.489 3.016 9.456 417 HB THR 61 HB THR 61 -5.292 0.239 9.430 418 HG1 THR 61 1HG THR 61 -4.343 0.976 11.167 419 HG21 THR 61 3HG2 THR 61 -5.130 1.963 7.382 420 HG22 THR 61 1HG2 THR 61 -3.803 0.898 7.845 421 HG23 THR 61 2HG2 THR 61 -3.813 2.579 8.380 422 H LYS 62 H LYS 62 -7.174 -0.389 8.624 423 HA LYS 62 HA LYS 62 -7.490 -0.259 5.955 424 HB2 LYS 62 1HB LYS 62 -9.295 -1.712 7.896 425 HB3 LYS 62 2HB LYS 62 -9.259 -2.013 6.163 426 HG2 LYS 62 1HG LYS 62 -7.221 -3.053 6.243 427 HG3 LYS 62 2HG LYS 62 -6.716 -2.192 7.698 428 HD2 LYS 62 1HD LYS 62 -7.122 -4.254 8.595 429 HD3 LYS 62 2HD LYS 62 -8.728 -3.541 8.761 430 HE2 LYS 62 1HE LYS 62 -9.260 -5.552 7.799 431 HE3 LYS 62 2HE LYS 62 -9.074 -4.548 6.362 432 HZ1 LYS 62 3HZ LYS 62 -6.981 -6.325 7.495 433 HZ2 LYS 62 1HZ LYS 62 -6.834 -5.386 6.094 434 HZ3 LYS 62 2HZ LYS 62 -7.932 -6.672 6.139 435 H ARG 63 H ARG 63 -9.659 1.098 8.330 436 HA ARG 63 HA ARG 63 -11.720 1.701 6.395 437 HB2 ARG 63 1HB ARG 63 -11.979 1.218 8.948 438 HB3 ARG 63 2HB ARG 63 -11.577 2.920 9.131 439 HG2 ARG 63 1HG ARG 63 -13.496 3.604 7.942 440 HG3 ARG 63 2HG ARG 63 -13.806 1.967 7.359 441 HD2 ARG 63 1HD ARG 63 -13.954 1.416 9.915 442 HD3 ARG 63 2HD ARG 63 -14.269 3.145 10.061 443 HE ARG 63 HE ARG 63 -15.970 2.235 8.096 444 HH11 ARG 63 1HH1 ARG 63 -15.399 1.557 11.463 445 HH12 ARG 63 2HH1 ARG 63 -17.042 1.111 11.786 446 HH21 ARG 63 1HH2 ARG 63 -18.136 1.650 8.509 447 HH22 ARG 63 2HH2 ARG 63 -18.597 1.163 10.105 448 H LEU 64 H LEU 64 -9.434 3.586 8.371 449 HA LEU 64 HA LEU 64 -10.081 6.105 7.341 450 HB2 LEU 64 1HB LEU 64 -7.555 5.008 8.546 451 HB3 LEU 64 2HB LEU 64 -7.716 6.695 8.062 452 HG LEU 64 HG LEU 64 -9.479 5.343 10.101 453 HD11 LEU 64 1HD1 LEU 64 -7.062 5.492 10.757 454 HD12 LEU 64 2HD1 LEU 64 -8.179 6.368 11.803 455 HD13 LEU 64 3HD1 LEU 64 -7.206 7.245 10.623 456 HD21 LEU 64 3HD2 LEU 64 -10.731 7.140 9.543 457 HD22 LEU 64 1HD2 LEU 64 -9.360 8.026 8.874 458 HD23 LEU 64 2HD2 LEU 64 -9.608 7.973 10.620 459 H PHE 65 H PHE 65 -7.432 3.908 6.412 460 HA PHE 65 HA PHE 65 -7.036 5.481 3.973 461 HB2 PHE 65 1HB PHE 65 -5.354 3.343 5.288 462 HB3 PHE 65 2HB PHE 65 -4.969 4.062 3.728 463 HD1 PHE 65 1HD PHE 65 -4.210 6.360 3.569 464 HD2 PHE 65 2HD PHE 65 -5.081 4.579 7.336 465 HE1 PHE 65 1HE PHE 65 -3.022 8.190 4.706 466 HE2 PHE 65 2HE PHE 65 -3.896 6.407 8.478 467 HZ PHE 65 HZ PHE 65 -2.865 8.217 7.163 468 H ALA 66 H ALA 66 -7.567 4.746 2.005 469 HA ALA 66 HA ALA 66 -8.745 2.060 1.836 470 HB1 ALA 66 3HB ALA 66 -10.090 4.142 1.241 471 HB2 ALA 66 1HB ALA 66 -9.081 4.239 -0.203 472 HB3 ALA 66 2HB ALA 66 -10.093 2.820 0.073 473 H LEU 67 H LEU 67 -7.530 0.535 0.947 474 HA LEU 67 HA LEU 67 -5.308 1.278 -0.791 475 HB2 LEU 67 1HB LEU 67 -4.738 -0.236 0.951 476 HB3 LEU 67 2HB LEU 67 -6.094 -1.292 0.561 477 HG LEU 67 HG LEU 67 -4.933 -1.757 -1.638 478 HD11 LEU 67 1HD1 LEU 67 -3.343 0.335 -0.975 479 HD12 LEU 67 2HD1 LEU 67 -2.912 -0.921 -2.135 480 HD13 LEU 67 3HD1 LEU 67 -2.343 -1.027 -0.469 481 HD21 LEU 67 3HD2 LEU 67 -3.675 -2.561 0.978 482 HD22 LEU 67 1HD2 LEU 67 -3.280 -3.306 -0.571 483 HD23 LEU 67 2HD2 LEU 67 -4.919 -3.420 0.069 484 H ASN 68 H ASN 68 -6.405 1.821 -2.693 485 HA ASN 68 HA ASN 68 -8.409 0.448 -3.977 486 HB2 ASN 68 1HB ASN 68 -6.167 2.178 -4.921 487 HB3 ASN 68 2HB ASN 68 -7.102 1.298 -6.126 488 HD21 ASN 68 1HD2 ASN 68 -7.495 3.626 -6.711 489 HD22 ASN 68 2HD2 ASN 68 -8.877 4.383 -6.003 490 H ASN 69 H ASN 69 -8.593 -1.510 -4.836 491 HA ASN 69 HA ASN 69 -6.201 -3.150 -5.146 492 HB2 ASN 69 1HB ASN 69 -9.007 -4.128 -5.595 493 HB3 ASN 69 2HB ASN 69 -7.598 -5.025 -5.037 494 HD21 ASN 69 1HD2 ASN 69 -7.524 -5.461 -2.960 495 HD22 ASN 69 2HD2 ASN 69 -8.362 -4.612 -1.710 496 H THR 70 H THR 70 -6.943 -0.981 -7.039 497 HA THR 70 HA THR 70 -7.100 -2.620 -9.485 498 HB THR 70 HB THR 70 -8.104 -0.617 -10.606 499 HG1 THR 70 1HG THR 70 -7.382 0.801 -8.767 500 HG21 THR 70 3HG2 THR 70 -10.224 -0.921 -8.793 501 HG22 THR 70 1HG2 THR 70 -9.345 -2.449 -8.766 502 HG23 THR 70 2HG2 THR 70 -9.960 -1.812 -10.291 503 H THR 71 H THR 71 -5.572 0.008 -7.790 504 HA THR 71 HA THR 71 -3.558 0.162 -9.936 505 HB THR 71 HB THR 71 -3.247 2.509 -9.555 506 HG1 THR 71 1HG THR 71 -4.714 3.558 -7.992 507 HG21 THR 71 3HG2 THR 71 -5.080 3.227 -10.680 508 HG22 THR 71 1HG2 THR 71 -6.203 2.504 -9.529 509 HG23 THR 71 2HG2 THR 71 -5.433 1.502 -10.760 510 H GLY 72 H GLY 72 -4.267 0.083 -6.524 511 HA2 GLY 72 1HA GLY 72 -2.882 -0.711 -4.830 512 HA3 GLY 72 2HA GLY 72 -1.544 -0.734 -5.969 513 H LEU 73 H LEU 73 -3.600 2.043 -5.291 514 HA LEU 73 HA LEU 73 -1.237 3.412 -4.187 515 HB2 LEU 73 1HB LEU 73 -1.812 4.490 -6.188 516 HB3 LEU 73 2HB LEU 73 -3.537 4.391 -5.845 517 HG LEU 73 HG LEU 73 -2.911 5.990 -3.856 518 HD11 LEU 73 1HD1 LEU 73 -1.047 7.421 -5.433 519 HD12 LEU 73 2HD1 LEU 73 -0.438 5.778 -5.239 520 HD13 LEU 73 3HD1 LEU 73 -0.830 6.746 -3.818 521 HD21 LEU 73 3HD2 LEU 73 -3.353 7.911 -5.336 522 HD22 LEU 73 1HD2 LEU 73 -4.449 6.561 -5.633 523 HD23 LEU 73 2HD2 LEU 73 -3.107 6.866 -6.736 524 H ILE 74 H ILE 74 -1.342 4.263 -2.198 525 HA ILE 74 HA ILE 74 -3.717 3.782 -0.618 526 HB ILE 74 HB ILE 74 -1.051 4.972 0.156 527 HG12 ILE 74 1HG1 ILE 74 -1.216 2.508 -0.573 528 HG13 ILE 74 2HG1 ILE 74 -0.457 2.850 0.978 529 HG21 ILE 74 1HG2 ILE 74 -2.062 4.166 2.482 530 HG22 ILE 74 2HG2 ILE 74 -2.330 5.788 1.845 531 HG23 ILE 74 3HG2 ILE 74 -3.571 4.549 1.654 532 HD11 ILE 74 3HD1 ILE 74 -3.365 2.287 0.960 533 HD12 ILE 74 1HD1 ILE 74 -2.257 0.944 0.682 534 HD13 ILE 74 2HD1 ILE 74 -2.138 1.893 2.164 535 H THR 75 H THR 75 -5.122 5.268 0.145 536 HA THR 75 HA THR 75 -4.531 8.113 -0.233 537 HB THR 75 HB THR 75 -6.854 8.479 -1.097 538 HG1 THR 75 1HG THR 75 -8.133 6.807 -1.477 539 HG21 THR 75 3HG2 THR 75 -6.321 7.404 -3.403 540 HG22 THR 75 1HG2 THR 75 -4.799 6.943 -2.643 541 HG23 THR 75 2HG2 THR 75 -5.245 8.646 -2.763 542 H VAL 76 H VAL 76 -6.451 9.436 0.745 543 HA VAL 76 HA VAL 76 -6.947 8.308 3.407 544 HB VAL 76 HB VAL 76 -7.111 11.172 2.458 545 HG11 VAL 76 1HG1 VAL 76 -7.167 11.591 4.979 546 HG12 VAL 76 2HG1 VAL 76 -8.648 11.006 4.219 547 HG13 VAL 76 3HG1 VAL 76 -7.622 9.894 5.126 548 HG21 VAL 76 3HG2 VAL 76 -5.032 11.547 3.395 549 HG22 VAL 76 1HG2 VAL 76 -5.130 10.127 4.437 550 HG23 VAL 76 2HG2 VAL 76 -4.832 9.935 2.709 551 H GLN 77 H GLN 77 -8.859 7.349 3.619 552 HA GLN 77 HA GLN 77 -11.116 8.107 1.982 553 HB2 GLN 77 1HB GLN 77 -10.640 5.738 2.523 554 HB3 GLN 77 2HB GLN 77 -10.948 6.082 4.220 555 HG2 GLN 77 1HG GLN 77 -13.244 6.961 3.241 556 HG3 GLN 77 2HG GLN 77 -12.843 5.821 1.958 557 HE21 GLN 77 1HE2 GLN 77 -12.278 3.610 2.678 558 HE22 GLN 77 2HE2 GLN 77 -13.147 2.949 4.017 559 H ARG 78 H ARG 78 -10.139 8.363 5.358 560 HA ARG 78 HA ARG 78 -12.191 10.402 5.750 561 HB2 ARG 78 1HB ARG 78 -11.845 8.004 7.559 562 HB3 ARG 78 2HB ARG 78 -12.828 9.411 7.939 563 HG2 ARG 78 1HG ARG 78 -14.360 8.926 6.201 564 HG3 ARG 78 2HG ARG 78 -13.289 7.706 5.510 565 HD2 ARG 78 1HD ARG 78 -14.797 6.389 6.642 566 HD3 ARG 78 2HD ARG 78 -13.532 6.583 7.855 567 HE ARG 78 HE ARG 78 -15.085 7.593 9.171 568 HH11 ARG 78 1HH1 ARG 78 -16.035 8.015 5.849 569 HH12 ARG 78 2HH1 ARG 78 -17.505 8.845 6.239 570 HH21 ARG 78 1HH2 ARG 78 -17.017 8.685 9.697 571 HH22 ARG 78 2HH2 ARG 78 -18.062 9.226 8.428 572 H SER 79 H SER 79 -11.775 11.807 7.543 573 HA SER 79 HA SER 79 -9.241 12.758 7.792 574 HB2 SER 79 1HB SER 79 -11.601 12.866 9.638 575 HB3 SER 79 2HB SER 79 -10.063 13.560 10.151 576 HG SER 79 HG SER 79 -11.831 14.402 8.185 577 H LEU 80 H LEU 80 -7.631 12.669 9.461 578 HA LEU 80 HA LEU 80 -7.531 10.052 10.810 579 HB2 LEU 80 1HB LEU 80 -5.176 11.719 9.950 580 HB3 LEU 80 2HB LEU 80 -5.151 10.068 10.568 581 HG LEU 80 HG LEU 80 -6.575 10.698 8.011 582 HD11 LEU 80 1HD1 LEU 80 -3.662 9.972 8.133 583 HD12 LEU 80 2HD1 LEU 80 -4.222 11.637 7.979 584 HD13 LEU 80 3HD1 LEU 80 -4.615 10.455 6.730 585 HD21 LEU 80 3HD2 LEU 80 -6.882 8.502 9.039 586 HD22 LEU 80 1HD2 LEU 80 -5.136 8.256 9.044 587 HD23 LEU 80 2HD2 LEU 80 -6.005 8.379 7.514 588 H ASP 81 H ASP 81 -6.185 10.015 12.798 589 HA ASP 81 HA ASP 81 -6.292 12.579 14.243 590 HB2 ASP 81 1HB ASP 81 -7.219 9.857 15.134 591 HB3 ASP 81 2HB ASP 81 -6.777 11.100 16.301 592 H ARG 82 H ARG 82 -4.437 13.170 15.157 593 HA ARG 82 HA ARG 82 -2.166 11.381 15.036 594 HB2 ARG 82 1HB ARG 82 -2.253 13.945 14.520 595 HB3 ARG 82 2HB ARG 82 -2.072 14.113 16.261 596 HG2 ARG 82 1HG ARG 82 -0.185 12.535 14.530 597 HG3 ARG 82 2HG ARG 82 0.055 14.228 14.965 598 HD2 ARG 82 1HD ARG 82 -0.258 13.356 17.401 599 HD3 ARG 82 2HD ARG 82 0.143 11.791 16.694 600 HE ARG 82 HE ARG 82 2.318 12.474 16.510 601 HH11 ARG 82 1HH1 ARG 82 0.293 15.256 17.038 602 HH12 ARG 82 2HH1 ARG 82 1.623 16.349 17.238 603 HH21 ARG 82 1HH2 ARG 82 4.077 13.903 16.771 604 HH22 ARG 82 2HH2 ARG 82 3.775 15.578 17.085 605 H GLU 83 H GLU 83 -4.084 13.017 17.517 606 HA GLU 83 HA GLU 83 -2.622 12.452 19.776 607 HB2 GLU 83 1HB GLU 83 -4.748 12.519 21.014 608 HB3 GLU 83 2HB GLU 83 -4.634 13.817 19.833 609 HG2 GLU 83 1HG GLU 83 -5.909 12.085 18.314 610 HG3 GLU 83 2HG GLU 83 -6.408 11.438 19.876 611 H GLU 84 H GLU 84 -4.990 10.363 18.155 612 HA GLU 84 HA GLU 84 -4.732 8.216 20.000 613 HB2 GLU 84 1HB GLU 84 -6.642 8.688 18.339 614 HB3 GLU 84 2HB GLU 84 -5.617 7.912 17.140 615 HG2 GLU 84 1HG GLU 84 -7.368 6.476 18.284 616 HG3 GLU 84 2HG GLU 84 -5.725 5.842 18.211 617 H THR 85 H THR 85 -3.728 8.358 16.579 618 HA THR 85 HA THR 85 -1.397 6.702 17.295 619 HB THR 85 HB THR 85 -2.971 5.314 16.074 620 HG1 THR 85 1HG THR 85 -0.964 4.747 15.466 621 HG21 THR 85 3HG2 THR 85 -4.057 7.307 14.910 622 HG22 THR 85 1HG2 THR 85 -3.855 5.841 13.952 623 HG23 THR 85 2HG2 THR 85 -2.746 7.195 13.737 624 H ALA 86 H ALA 86 0.548 7.318 16.503 625 HA ALA 86 HA ALA 86 0.634 9.856 15.051 626 HB1 ALA 86 3HB ALA 86 1.969 9.952 16.975 627 HB2 ALA 86 1HB ALA 86 2.654 8.353 16.687 628 HB3 ALA 86 2HB ALA 86 3.111 9.707 15.654 629 H ILE 87 H ILE 87 1.597 6.494 14.772 630 HA ILE 87 HA ILE 87 2.486 7.039 12.014 631 HB ILE 87 HB ILE 87 3.473 4.834 13.828 632 HG12 ILE 87 1HG1 ILE 87 5.030 7.204 12.794 633 HG13 ILE 87 2HG1 ILE 87 4.223 7.210 14.358 634 HG21 ILE 87 1HG2 ILE 87 5.236 4.793 11.884 635 HG22 ILE 87 2HG2 ILE 87 3.708 3.927 11.736 636 HG23 ILE 87 3HG2 ILE 87 3.911 5.496 10.957 637 HD11 ILE 87 3HD1 ILE 87 5.757 4.853 14.236 638 HD12 ILE 87 1HD1 ILE 87 6.776 6.170 13.658 639 HD13 ILE 87 2HD1 ILE 87 6.014 6.276 15.245 640 H HIS 88 H HIS 88 1.886 5.577 10.405 641 HA HIS 88 HA HIS 88 -0.131 3.575 11.177 642 HB2 HIS 88 1HB HIS 88 -0.268 5.692 9.057 643 HB3 HIS 88 2HB HIS 88 -1.148 4.181 8.846 644 HD1 HIS 88 1HD HIS 88 -2.883 3.622 10.870 645 HD2 HIS 88 2HD HIS 88 -1.580 7.553 10.537 646 HE1 HIS 88 1HE HIS 88 -4.531 4.990 12.187 647 HE2 HIS 88 2HE HIS 88 -3.771 7.374 11.900 648 H LYS 89 H LYS 89 0.587 1.621 10.682 649 HA LYS 89 HA LYS 89 2.453 1.303 8.440 650 HB2 LYS 89 1HB LYS 89 1.951 -0.181 10.969 651 HB3 LYS 89 2HB LYS 89 2.496 -1.114 9.582 652 HG2 LYS 89 1HG LYS 89 4.401 -0.494 10.880 653 HG3 LYS 89 2HG LYS 89 4.431 0.426 9.374 654 HD2 LYS 89 1HD LYS 89 3.811 2.411 10.435 655 HD3 LYS 89 2HD LYS 89 3.196 1.566 11.858 656 HE2 LYS 89 1HE LYS 89 6.092 1.387 11.132 657 HE3 LYS 89 2HE LYS 89 5.479 2.807 11.977 658 HZ1 LYS 89 3HZ LYS 89 5.882 1.588 13.794 659 HZ2 LYS 89 1HZ LYS 89 5.901 0.121 12.952 660 HZ3 LYS 89 2HZ LYS 89 4.429 0.807 13.422 661 H VAL 90 H VAL 90 1.529 0.802 6.568 662 HA VAL 90 HA VAL 90 -0.802 -1.002 6.588 663 HB VAL 90 HB VAL 90 -0.031 1.037 4.496 664 HG11 VAL 90 1HG1 VAL 90 -2.719 0.030 4.319 665 HG12 VAL 90 2HG1 VAL 90 -1.448 0.053 3.095 666 HG13 VAL 90 3HG1 VAL 90 -1.556 -1.293 4.230 667 HG21 VAL 90 3HG2 VAL 90 -2.436 1.063 6.305 668 HG22 VAL 90 1HG2 VAL 90 -0.936 1.908 6.684 669 HG23 VAL 90 2HG2 VAL 90 -1.858 2.349 5.247 670 H THR 91 H THR 91 -0.246 -3.006 6.058 671 HA THR 91 HA THR 91 2.076 -3.513 4.388 672 HB THR 91 HB THR 91 0.203 -5.552 5.595 673 HG1 THR 91 1HG THR 91 2.212 -3.996 6.730 674 HG21 THR 91 3HG2 THR 91 3.117 -5.917 4.990 675 HG22 THR 91 1HG2 THR 91 1.905 -6.124 3.726 676 HG23 THR 91 2HG2 THR 91 1.856 -7.137 5.170 677 H VAL 92 H VAL 92 2.049 -4.268 2.335 678 HA VAL 92 HA VAL 92 -0.583 -4.781 1.111 679 HB VAL 92 HB VAL 92 1.759 -3.384 -0.190 680 HG11 VAL 92 1HG1 VAL 92 0.667 -3.442 -2.176 681 HG12 VAL 92 2HG1 VAL 92 -0.010 -4.917 -1.483 682 HG13 VAL 92 3HG1 VAL 92 -0.928 -3.412 -1.426 683 HG21 VAL 92 3HG2 VAL 92 0.943 -1.613 0.927 684 HG22 VAL 92 1HG2 VAL 92 -0.338 -1.651 -0.284 685 HG23 VAL 92 2HG2 VAL 92 -0.585 -2.417 1.285 686 H LEU 93 H LEU 93 -0.776 -6.653 0.057 687 HA LEU 93 HA LEU 93 1.683 -8.165 -0.534 688 HB2 LEU 93 1HB LEU 93 -1.068 -9.185 0.156 689 HB3 LEU 93 2HB LEU 93 0.302 -10.197 -0.296 690 HG LEU 93 HG LEU 93 0.313 -8.403 2.123 691 HD11 LEU 93 1HD1 LEU 93 -0.275 -10.294 3.465 692 HD12 LEU 93 2HD1 LEU 93 -0.302 -11.351 2.054 693 HD13 LEU 93 3HD1 LEU 93 -1.518 -10.086 2.230 694 HD21 LEU 93 3HD2 LEU 93 1.960 -10.856 1.572 695 HD22 LEU 93 1HD2 LEU 93 2.226 -9.602 2.783 696 HD23 LEU 93 2HD2 LEU 93 2.471 -9.243 1.073 697 H ALA 94 H ALA 94 2.034 -8.816 -2.569 698 HA ALA 94 HA ALA 94 -0.137 -8.420 -4.524 699 HB1 ALA 94 3HB ALA 94 1.959 -8.294 -6.123 700 HB2 ALA 94 1HB ALA 94 1.394 -6.881 -5.231 701 HB3 ALA 94 2HB ALA 94 2.770 -7.809 -4.634 702 H SER 95 H SER 95 -0.978 -10.346 -5.009 703 HA SER 95 HA SER 95 0.855 -12.621 -5.388 704 HB2 SER 95 1HB SER 95 -0.997 -12.750 -3.615 705 HB3 SER 95 2HB SER 95 -2.123 -12.846 -4.969 706 HG SER 95 HG SER 95 -0.259 -14.704 -4.062 707 H ASP 96 H ASP 96 1.093 -13.426 -7.366 708 HA ASP 96 HA ASP 96 -0.900 -12.707 -9.415 709 HB2 ASP 96 1HB ASP 96 0.981 -12.810 -11.057 710 HB3 ASP 96 2HB ASP 96 1.149 -11.520 -9.869 711 H GLY 97 H GLY 97 1.623 -15.101 -8.629 712 HA2 GLY 97 1HA GLY 97 -0.078 -17.322 -8.970 713 HA3 GLY 97 2HA GLY 97 0.817 -17.060 -10.459 714 H SER 98 H SER 98 1.930 -16.536 -7.143 715 HA SER 98 HA SER 98 3.930 -18.658 -7.575 716 HB2 SER 98 1HB SER 98 4.212 -15.931 -6.334 717 HB3 SER 98 2HB SER 98 5.337 -17.230 -5.937 718 HG SER 98 HG SER 98 4.811 -16.741 -8.633 719 H SER 99 H SER 99 4.958 -19.263 -5.340 720 HA SER 99 HA SER 99 3.003 -20.577 -3.844 721 HB2 SER 99 1HB SER 99 4.888 -20.837 -2.131 722 HB3 SER 99 2HB SER 99 5.203 -21.453 -3.754 723 HG SER 99 HG SER 99 6.585 -19.647 -2.397 724 H THR 100 H THR 100 4.945 -17.735 -2.911 725 HA THR 100 HA THR 100 2.714 -16.879 -1.198 726 HB THR 100 HB THR 100 4.495 -15.987 0.407 727 HG1 THR 100 1HG THR 100 6.400 -16.264 -0.606 728 HG21 THR 100 3HG2 THR 100 4.915 -18.549 1.163 729 HG22 THR 100 1HG2 THR 100 3.555 -18.762 0.062 730 HG23 THR 100 2HG2 THR 100 3.409 -17.678 1.445 731 HA PRO 101 HA PRO 101 3.246 -13.069 -3.371 732 HB2 PRO 101 1HB PRO 101 1.746 -11.503 -1.738 733 HB3 PRO 101 2HB PRO 101 1.041 -12.663 -2.871 734 HG2 PRO 101 1HG PRO 101 1.521 -12.940 0.071 735 HG3 PRO 101 2HG PRO 101 0.103 -13.418 -0.881 736 HD2 PRO 101 1HD PRO 101 1.994 -15.189 -0.095 737 HD3 PRO 101 2HD PRO 101 1.096 -15.364 -1.616 738 H ALA 102 H ALA 102 4.088 -10.900 -3.043 739 HA ALA 102 HA ALA 102 6.253 -10.886 -1.125 740 HB1 ALA 102 3HB ALA 102 6.858 -8.735 -2.249 741 HB2 ALA 102 1HB ALA 102 6.781 -10.131 -3.325 742 HB3 ALA 102 2HB ALA 102 5.461 -8.961 -3.302 743 H ARG 103 H ARG 103 6.583 -9.348 0.493 744 HA ARG 103 HA ARG 103 4.157 -7.892 1.318 745 HB2 ARG 103 1HB ARG 103 4.931 -8.136 3.628 746 HB3 ARG 103 2HB ARG 103 4.740 -9.704 2.855 747 HG2 ARG 103 1HG ARG 103 7.055 -10.023 2.677 748 HG3 ARG 103 2HG ARG 103 7.397 -8.321 2.996 749 HD2 ARG 103 1HD ARG 103 6.996 -8.530 5.262 750 HD3 ARG 103 2HD ARG 103 5.983 -9.958 5.054 751 HE ARG 103 HE ARG 103 8.400 -10.840 4.268 752 HH11 ARG 103 1HH1 ARG 103 7.329 -9.115 7.096 753 HH12 ARG 103 2HH1 ARG 103 8.541 -9.796 8.131 754 HH21 ARG 103 1HH2 ARG 103 9.999 -11.745 5.620 755 HH22 ARG 103 2HH2 ARG 103 10.059 -11.292 7.290 756 H ALA 104 H ALA 104 4.296 -5.757 1.764 757 HA ALA 104 HA ALA 104 6.926 -4.502 1.989 758 HB1 ALA 104 3HB ALA 104 6.759 -4.090 -0.251 759 HB2 ALA 104 1HB ALA 104 4.995 -4.075 -0.231 760 HB3 ALA 104 2HB ALA 104 5.896 -2.684 0.375 761 H THR 105 H THR 105 6.924 -3.132 3.638 762 HA THR 105 HA THR 105 4.351 -2.141 4.646 763 HB THR 105 HB THR 105 7.036 -2.190 6.038 764 HG1 THR 105 1HG THR 105 5.666 -3.836 7.299 765 HG21 THR 105 3HG2 THR 105 5.502 -1.882 8.067 766 HG22 THR 105 1HG2 THR 105 4.274 -1.380 6.906 767 HG23 THR 105 2HG2 THR 105 5.782 -0.475 7.042 768 H VAL 106 H VAL 106 3.901 -0.003 4.819 769 HA VAL 106 HA VAL 106 5.971 1.883 3.894 770 HB VAL 106 HB VAL 106 2.991 2.060 3.425 771 HG11 VAL 106 1HG1 VAL 106 4.553 4.182 3.753 772 HG12 VAL 106 2HG1 VAL 106 4.928 3.846 2.062 773 HG13 VAL 106 3HG1 VAL 106 3.260 4.145 2.554 774 HG21 VAL 106 3HG2 VAL 106 5.268 1.518 1.521 775 HG22 VAL 106 1HG2 VAL 106 4.017 0.377 2.016 776 HG23 VAL 106 2HG2 VAL 106 3.590 1.790 1.049 777 H THR 107 H THR 107 6.639 3.083 5.541 778 HA THR 107 HA THR 107 5.073 3.485 7.902 779 HB THR 107 HB THR 107 7.535 5.078 7.247 780 HG1 THR 107 1HG THR 107 7.576 2.455 8.346 781 HG21 THR 107 3HG2 THR 107 6.007 4.312 9.655 782 HG22 THR 107 1HG2 THR 107 6.940 5.770 9.321 783 HG23 THR 107 2HG2 THR 107 7.763 4.290 9.814 784 H ILE 108 H ILE 108 3.516 4.938 8.132 785 HA ILE 108 HA ILE 108 3.653 7.415 6.540 786 HB ILE 108 HB ILE 108 1.178 6.034 7.583 787 HG12 ILE 108 1HG1 ILE 108 2.042 6.355 4.709 788 HG13 ILE 108 2HG1 ILE 108 2.420 4.922 5.659 789 HG21 ILE 108 1HG2 ILE 108 0.888 8.430 7.509 790 HG22 ILE 108 2HG2 ILE 108 1.516 8.486 5.863 791 HG23 ILE 108 3HG2 ILE 108 -0.021 7.687 6.193 792 HD11 ILE 108 3HD1 ILE 108 -0.282 5.934 4.834 793 HD12 ILE 108 1HD1 ILE 108 0.500 4.417 4.389 794 HD13 ILE 108 2HD1 ILE 108 -0.052 4.672 6.045 795 H ASN 109 H ASN 109 4.312 9.034 7.793 796 HA ASN 109 HA ASN 109 3.726 9.056 10.634 797 HB2 ASN 109 1HB ASN 109 5.109 11.278 9.155 798 HB3 ASN 109 2HB ASN 109 5.322 10.763 10.825 799 HD21 ASN 109 1HD2 ASN 109 5.292 7.911 9.807 800 HD22 ASN 109 2HD2 ASN 109 6.898 7.662 9.220 801 H VAL 110 H VAL 110 2.605 10.715 11.712 802 HA VAL 110 HA VAL 110 0.721 12.199 9.998 803 HB VAL 110 HB VAL 110 0.318 11.259 12.841 804 HG11 VAL 110 1HG1 VAL 110 -1.001 13.131 12.763 805 HG12 VAL 110 2HG1 VAL 110 -1.263 13.009 11.022 806 HG13 VAL 110 3HG1 VAL 110 -2.121 11.929 12.122 807 HG21 VAL 110 3HG2 VAL 110 -0.267 9.318 11.921 808 HG22 VAL 110 1HG2 VAL 110 -1.623 10.158 11.168 809 HG23 VAL 110 2HG2 VAL 110 -0.103 9.975 10.293 810 H THR 111 H THR 111 1.214 14.281 9.876 811 HA THR 111 HA THR 111 2.523 15.583 12.158 812 HB THR 111 HB THR 111 3.009 17.428 10.535 813 HG1 THR 111 1HG THR 111 2.240 17.318 8.558 814 HG21 THR 111 3HG2 THR 111 4.966 16.429 10.117 815 HG22 THR 111 1HG2 THR 111 4.205 15.192 9.117 816 HG23 THR 111 2HG2 THR 111 4.281 14.988 10.867 817 H ASP 112 H ASP 112 1.925 17.980 12.379 818 HA ASP 112 HA ASP 112 -1.002 18.147 12.485 819 HB2 ASP 112 1HB ASP 112 0.886 20.036 13.870 820 HB3 ASP 112 2HB ASP 112 -0.780 19.643 14.285 821 H VAL 113 H VAL 113 -2.126 19.895 11.662 822 HA VAL 113 HA VAL 113 -0.731 21.370 9.568 823 HB VAL 113 HB VAL 113 -2.999 22.074 8.855 824 HG11 VAL 113 1HG1 VAL 113 -3.775 19.524 8.537 825 HG12 VAL 113 2HG1 VAL 113 -2.466 20.261 7.612 826 HG13 VAL 113 3HG1 VAL 113 -2.100 19.267 9.022 827 HG21 VAL 113 3HG2 VAL 113 -4.965 21.245 9.888 828 HG22 VAL 113 1HG2 VAL 113 -4.044 20.164 10.933 829 HG23 VAL 113 2HG2 VAL 113 -3.968 21.908 11.182 830 H ASN 114 H ASN 114 -2.031 21.847 12.715 831 HA ASN 114 HA ASN 114 -1.996 24.762 12.396 832 HB2 ASN 114 1HB ASN 114 -3.142 22.965 14.533 833 HB3 ASN 114 2HB ASN 114 -3.032 24.713 14.719 834 HD21 ASN 114 1HD2 ASN 114 -5.430 24.143 14.967 835 HD22 ASN 114 2HD2 ASN 114 -6.382 24.278 13.531 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.595 -2.094 -24.005 2 HA2 GLY 1 1HA GLY 1 14.557 -4.611 -24.154 3 HA3 GLY 1 2HA GLY 1 14.371 -4.362 -25.883 4 H SER 2 H SER 2 16.558 -4.008 -23.155 5 HA SER 2 HA SER 2 18.808 -4.187 -25.029 6 HB2 SER 2 1HB SER 2 20.054 -2.537 -23.574 7 HB3 SER 2 2HB SER 2 18.732 -1.847 -24.516 8 HG SER 2 HG SER 2 18.459 -2.694 -21.824 9 H SER 3 H SER 3 20.605 -5.282 -24.264 10 HA SER 3 HA SER 3 20.093 -7.123 -22.115 11 HB2 SER 3 1HB SER 3 22.027 -8.270 -22.827 12 HB3 SER 3 2HB SER 3 21.342 -7.612 -24.313 13 HG SER 3 HG SER 3 23.716 -7.323 -23.821 14 H GLY 4 H GLY 4 20.975 -7.170 -20.106 15 HA2 GLY 4 1HA GLY 4 23.240 -5.609 -19.343 16 HA3 GLY 4 2HA GLY 4 21.742 -4.853 -18.821 17 H SER 5 H SER 5 20.194 -6.922 -18.043 18 HA SER 5 HA SER 5 21.349 -7.618 -15.533 19 HB2 SER 5 1HB SER 5 18.869 -7.196 -16.068 20 HB3 SER 5 2HB SER 5 18.846 -8.851 -16.676 21 HG SER 5 HG SER 5 18.387 -9.200 -14.624 22 H SER 6 H SER 6 22.063 -9.574 -14.773 23 HA SER 6 HA SER 6 23.047 -11.418 -16.759 24 HB2 SER 6 1HB SER 6 23.417 -11.037 -13.821 25 HB3 SER 6 2HB SER 6 23.774 -12.623 -14.504 26 HG SER 6 HG SER 6 24.994 -11.193 -16.130 27 H GLY 7 H GLY 7 20.858 -11.637 -13.955 28 HA2 GLY 7 1HA GLY 7 19.427 -13.794 -15.329 29 HA3 GLY 7 2HA GLY 7 20.073 -14.128 -13.729 30 H ASN 8 H ASN 8 17.293 -13.598 -15.146 31 HA ASN 8 HA ASN 8 16.252 -11.676 -13.191 32 HB2 ASN 8 1HB ASN 8 14.800 -12.877 -15.555 33 HB3 ASN 8 2HB ASN 8 14.312 -11.481 -14.598 34 HD21 ASN 8 1HD2 ASN 8 14.271 -10.870 -17.050 35 HD22 ASN 8 2HD2 ASN 8 15.677 -10.029 -17.598 36 H ASP 9 H ASP 9 14.668 -12.196 -11.729 37 HA ASP 9 HA ASP 9 14.292 -15.056 -11.250 38 HB2 ASP 9 1HB ASP 9 13.951 -12.600 -9.544 39 HB3 ASP 9 2HB ASP 9 13.272 -14.151 -9.058 40 H ASN 10 H ASN 10 12.150 -15.819 -10.550 41 HA ASN 10 HA ASN 10 10.075 -14.653 -12.246 42 HB2 ASN 10 1HB ASN 10 8.869 -16.792 -11.819 43 HB3 ASN 10 2HB ASN 10 10.450 -17.022 -12.560 44 HD21 ASN 10 1HD2 ASN 10 11.400 -18.749 -11.786 45 HD22 ASN 10 2HD2 ASN 10 11.390 -19.271 -10.139 46 H ARG 11 H ARG 11 10.383 -12.974 -10.258 47 HA ARG 11 HA ARG 11 7.913 -13.192 -8.793 48 HB2 ARG 11 1HB ARG 11 8.832 -13.037 -6.579 49 HB3 ARG 11 2HB ARG 11 9.543 -14.438 -7.370 50 HG2 ARG 11 1HG ARG 11 11.506 -12.927 -7.939 51 HG3 ARG 11 2HG ARG 11 10.813 -11.785 -6.786 52 HD2 ARG 11 1HD ARG 11 11.071 -13.291 -4.988 53 HD3 ARG 11 2HD ARG 11 11.380 -14.648 -6.071 54 HE ARG 11 HE ARG 11 13.379 -12.789 -6.534 55 HH11 ARG 11 1HH1 ARG 11 12.244 -14.743 -3.885 56 HH12 ARG 11 2HH1 ARG 11 13.805 -14.877 -3.145 57 HH21 ARG 11 1HH2 ARG 11 15.439 -12.958 -5.569 58 HH22 ARG 11 2HH2 ARG 11 15.621 -13.861 -4.103 59 HA PRO 12 HA PRO 12 8.071 -8.837 -9.402 60 HB2 PRO 12 1HB PRO 12 6.225 -8.074 -7.564 61 HB3 PRO 12 2HB PRO 12 5.796 -8.861 -9.087 62 HG2 PRO 12 1HG PRO 12 6.055 -10.046 -6.350 63 HG3 PRO 12 2HG PRO 12 4.809 -10.331 -7.579 64 HD2 PRO 12 1HD PRO 12 6.861 -12.047 -7.160 65 HD3 PRO 12 2HD PRO 12 6.132 -11.803 -8.760 66 H VAL 13 H VAL 13 8.343 -6.778 -8.147 67 HA VAL 13 HA VAL 13 9.587 -7.063 -5.531 68 HB VAL 13 HB VAL 13 11.079 -5.924 -7.898 69 HG11 VAL 13 1HG1 VAL 13 11.272 -5.349 -5.077 70 HG12 VAL 13 2HG1 VAL 13 12.776 -6.040 -5.692 71 HG13 VAL 13 3HG1 VAL 13 12.099 -4.591 -6.438 72 HG21 VAL 13 3HG2 VAL 13 11.204 -8.324 -7.852 73 HG22 VAL 13 1HG2 VAL 13 12.747 -7.669 -7.305 74 HG23 VAL 13 2HG2 VAL 13 11.597 -8.314 -6.133 75 H PHE 14 H PHE 14 9.121 -5.381 -4.258 76 HA PHE 14 HA PHE 14 7.503 -3.245 -5.271 77 HB2 PHE 14 1HB PHE 14 8.579 -3.954 -2.553 78 HB3 PHE 14 2HB PHE 14 7.753 -2.425 -2.832 79 HD1 PHE 14 1HD PHE 14 5.526 -2.956 -4.456 80 HD2 PHE 14 2HD PHE 14 7.239 -5.451 -1.462 81 HE1 PHE 14 1HE PHE 14 3.355 -4.072 -4.148 82 HE2 PHE 14 2HE PHE 14 5.071 -6.571 -1.151 83 HZ PHE 14 HZ PHE 14 3.126 -5.883 -2.495 84 H LYS 15 H LYS 15 8.009 -1.119 -5.559 85 HA LYS 15 HA LYS 15 10.437 -0.314 -6.458 86 HB2 LYS 15 1HB LYS 15 8.411 1.046 -6.655 87 HB3 LYS 15 2HB LYS 15 8.458 1.389 -4.931 88 HG2 LYS 15 1HG LYS 15 9.398 3.294 -5.758 89 HG3 LYS 15 2HG LYS 15 10.845 2.317 -5.504 90 HD2 LYS 15 1HD LYS 15 10.896 1.704 -7.835 91 HD3 LYS 15 2HD LYS 15 9.359 2.524 -8.122 92 HE2 LYS 15 1HE LYS 15 10.390 4.664 -7.556 93 HE3 LYS 15 2HE LYS 15 11.922 3.850 -7.240 94 HZ1 LYS 15 3HZ LYS 15 12.410 4.072 -9.372 95 HZ2 LYS 15 1HZ LYS 15 10.907 4.781 -9.689 96 HZ3 LYS 15 2HZ LYS 15 11.088 3.102 -9.789 97 H GLU 16 H GLU 16 9.298 -0.027 -3.102 98 HA GLU 16 HA GLU 16 12.040 -0.176 -2.167 99 HB2 GLU 16 1HB GLU 16 10.280 2.194 -1.511 100 HB3 GLU 16 2HB GLU 16 11.835 1.848 -0.767 101 HG2 GLU 16 1HG GLU 16 12.713 1.894 -3.213 102 HG3 GLU 16 2HG GLU 16 11.227 2.787 -3.530 103 H GLY 17 H GLY 17 11.990 -1.686 -0.647 104 HA2 GLY 17 1HA GLY 17 9.851 -2.882 0.520 105 HA3 GLY 17 2HA GLY 17 11.408 -2.744 1.323 106 H GLN 18 H GLN 18 11.773 -0.528 2.378 107 HA GLN 18 HA GLN 18 9.304 0.194 3.808 108 HB2 GLN 18 1HB GLN 18 11.417 -0.830 4.987 109 HB3 GLN 18 2HB GLN 18 12.031 0.814 4.872 110 HG2 GLN 18 1HG GLN 18 10.111 1.635 6.117 111 HG3 GLN 18 2HG GLN 18 9.458 0.000 6.205 112 HE21 GLN 18 1HE2 GLN 18 10.953 -1.625 7.210 113 HE22 GLN 18 2HE2 GLN 18 11.844 -1.117 8.600 114 H VAL 19 H VAL 19 8.617 2.258 3.829 115 HA VAL 19 HA VAL 19 10.411 4.400 2.991 116 HB VAL 19 HB VAL 19 7.741 4.017 1.637 117 HG11 VAL 19 1HG1 VAL 19 9.525 6.225 1.871 118 HG12 VAL 19 2HG1 VAL 19 9.510 5.684 0.191 119 HG13 VAL 19 3HG1 VAL 19 8.001 6.124 0.990 120 HG21 VAL 19 3HG2 VAL 19 9.204 2.251 0.896 121 HG22 VAL 19 1HG2 VAL 19 9.068 3.459 -0.382 122 HG23 VAL 19 2HG2 VAL 19 10.515 3.399 0.625 123 H GLU 20 H GLU 20 9.859 6.410 3.781 124 HA GLU 20 HA GLU 20 7.613 6.436 5.682 125 HB2 GLU 20 1HB GLU 20 10.083 6.787 6.427 126 HB3 GLU 20 2HB GLU 20 9.883 8.397 5.750 127 HG2 GLU 20 1HG GLU 20 7.854 8.628 7.238 128 HG3 GLU 20 2HG GLU 20 8.391 7.152 8.038 129 H VAL 21 H VAL 21 5.998 7.851 5.422 130 HA VAL 21 HA VAL 21 6.341 9.986 3.417 131 HB VAL 21 HB VAL 21 3.958 9.749 2.856 132 HG11 VAL 21 1HG1 VAL 21 5.962 8.343 1.852 133 HG12 VAL 21 2HG1 VAL 21 5.029 6.999 2.515 134 HG13 VAL 21 3HG1 VAL 21 4.297 8.085 1.333 135 HG21 VAL 21 3HG2 VAL 21 2.550 8.144 3.760 136 HG22 VAL 21 1HG2 VAL 21 3.888 7.155 4.344 137 HG23 VAL 21 2HG2 VAL 21 3.482 8.663 5.164 138 H HIS 22 H HIS 22 5.348 11.967 3.819 139 HA HIS 22 HA HIS 22 4.419 12.345 6.590 140 HB2 HIS 22 1HB HIS 22 5.455 14.447 6.663 141 HB3 HIS 22 2HB HIS 22 6.627 13.435 5.825 142 HD1 HIS 22 1HD HIS 22 5.929 13.539 2.990 143 HD2 HIS 22 2HD HIS 22 5.396 16.846 5.446 144 HE1 HIS 22 1HE HIS 22 5.880 15.522 1.445 145 HE2 HIS 22 2HE HIS 22 5.643 17.520 2.961 146 H ILE 23 H ILE 23 2.306 12.680 6.699 147 HA ILE 23 HA ILE 23 1.056 14.488 4.761 148 HB ILE 23 HB ILE 23 0.615 12.149 4.031 149 HG12 ILE 23 1HG1 ILE 23 -1.708 13.829 4.983 150 HG13 ILE 23 2HG1 ILE 23 -0.967 13.828 3.386 151 HG21 ILE 23 1HG2 ILE 23 -1.206 11.796 6.363 152 HG22 ILE 23 2HG2 ILE 23 -0.458 10.584 5.324 153 HG23 ILE 23 3HG2 ILE 23 0.507 11.417 6.543 154 HD11 ILE 23 3HD1 ILE 23 -1.753 11.223 3.682 155 HD12 ILE 23 1HD1 ILE 23 -3.041 12.116 4.490 156 HD13 ILE 23 2HD1 ILE 23 -2.636 12.476 2.811 157 HA PRO 24 HA PRO 24 -0.628 16.230 8.452 158 HB2 PRO 24 1HB PRO 24 -2.526 17.788 7.294 159 HB3 PRO 24 2HB PRO 24 -0.804 18.184 7.257 160 HG2 PRO 24 1HG PRO 24 -2.498 16.897 5.151 161 HG3 PRO 24 2HG PRO 24 -1.264 18.159 4.978 162 HD2 PRO 24 1HD PRO 24 -0.775 15.556 4.412 163 HD3 PRO 24 2HD PRO 24 0.473 16.645 5.049 164 H GLU 25 H GLU 25 -2.512 16.166 9.743 165 HA GLU 25 HA GLU 25 -4.128 13.855 9.365 166 HB2 GLU 25 1HB GLU 25 -5.378 14.845 11.387 167 HB3 GLU 25 2HB GLU 25 -3.701 14.367 11.605 168 HG2 GLU 25 1HG GLU 25 -2.951 16.574 11.645 169 HG3 GLU 25 2HG GLU 25 -4.437 17.187 10.922 170 H ASN 26 H ASN 26 -4.642 17.313 8.942 171 HA ASN 26 HA ASN 26 -7.446 17.040 8.374 172 HB2 ASN 26 1HB ASN 26 -6.257 19.106 9.327 173 HB3 ASN 26 2HB ASN 26 -5.739 19.423 7.674 174 HD21 ASN 26 1HD2 ASN 26 -6.905 21.356 7.651 175 HD22 ASN 26 2HD2 ASN 26 -8.625 21.377 7.492 176 H ALA 27 H ALA 27 -4.812 16.129 6.678 177 HA ALA 27 HA ALA 27 -4.803 17.022 4.157 178 HB1 ALA 27 3HB ALA 27 -4.602 14.261 5.248 179 HB2 ALA 27 1HB ALA 27 -4.663 14.477 3.498 180 HB3 ALA 27 2HB ALA 27 -3.385 15.249 4.438 181 HA PRO 28 HA PRO 28 -8.843 16.713 2.433 182 HB2 PRO 28 1HB PRO 28 -8.187 16.693 -0.201 183 HB3 PRO 28 2HB PRO 28 -8.093 18.146 0.802 184 HG2 PRO 28 1HG PRO 28 -5.911 16.271 -0.025 185 HG3 PRO 28 2HG PRO 28 -5.901 18.043 0.030 186 HD2 PRO 28 1HD PRO 28 -4.776 16.519 1.965 187 HD3 PRO 28 2HD PRO 28 -5.520 18.095 2.303 188 H VAL 29 H VAL 29 -10.173 15.036 2.166 189 HA VAL 29 HA VAL 29 -9.361 12.387 2.043 190 HB VAL 29 HB VAL 29 -11.981 13.697 1.367 191 HG11 VAL 29 1HG1 VAL 29 -12.146 11.845 -0.018 192 HG12 VAL 29 2HG1 VAL 29 -11.192 10.826 1.060 193 HG13 VAL 29 3HG1 VAL 29 -12.847 11.260 1.490 194 HG21 VAL 29 3HG2 VAL 29 -12.719 12.694 3.433 195 HG22 VAL 29 1HG2 VAL 29 -11.189 11.834 3.602 196 HG23 VAL 29 2HG2 VAL 29 -11.230 13.593 3.727 197 H GLY 30 H GLY 30 -8.583 11.148 0.469 198 HA2 GLY 30 1HA GLY 30 -8.897 10.253 -1.784 199 HA3 GLY 30 2HA GLY 30 -9.185 11.901 -2.323 200 H THR 31 H THR 31 -6.810 12.333 -0.211 201 HA THR 31 HA THR 31 -4.829 12.834 -2.130 202 HB THR 31 HB THR 31 -4.358 12.361 0.818 203 HG1 THR 31 1HG THR 31 -5.994 14.074 -0.107 204 HG21 THR 31 3HG2 THR 31 -2.329 13.381 0.570 205 HG22 THR 31 1HG2 THR 31 -2.864 14.361 -0.794 206 HG23 THR 31 2HG2 THR 31 -2.469 12.659 -1.033 207 H SER 32 H SER 32 -2.973 11.746 -2.727 208 HA SER 32 HA SER 32 -3.096 8.864 -2.464 209 HB2 SER 32 1HB SER 32 -1.244 8.868 -4.099 210 HB3 SER 32 2HB SER 32 -2.609 9.836 -4.656 211 HG SER 32 HG SER 32 -0.048 10.603 -4.010 212 H VAL 33 H VAL 33 -2.313 8.016 -0.644 213 HA VAL 33 HA VAL 33 -0.253 9.243 0.905 214 HB VAL 33 HB VAL 33 -1.296 6.416 1.122 215 HG11 VAL 33 1HG1 VAL 33 0.879 7.166 2.298 216 HG12 VAL 33 2HG1 VAL 33 -0.197 8.079 3.358 217 HG13 VAL 33 3HG1 VAL 33 -0.350 6.325 3.241 218 HG21 VAL 33 3HG2 VAL 33 -3.245 7.325 1.705 219 HG22 VAL 33 1HG2 VAL 33 -2.431 7.965 3.133 220 HG23 VAL 33 2HG2 VAL 33 -2.568 8.953 1.679 221 H ILE 34 H ILE 34 -0.267 5.935 -0.412 222 HA ILE 34 HA ILE 34 2.455 6.356 -1.414 223 HB ILE 34 HB ILE 34 2.538 5.310 0.877 224 HG12 ILE 34 1HG1 ILE 34 4.156 4.959 -1.202 225 HG13 ILE 34 2HG1 ILE 34 4.401 4.093 0.311 226 HG21 ILE 34 1HG2 ILE 34 1.357 2.930 -0.549 227 HG22 ILE 34 2HG2 ILE 34 1.905 2.990 1.125 228 HG23 ILE 34 3HG2 ILE 34 0.505 3.936 0.622 229 HD11 ILE 34 3HD1 ILE 34 2.990 3.019 -2.120 230 HD12 ILE 34 1HD1 ILE 34 4.634 2.628 -1.617 231 HD13 ILE 34 2HD1 ILE 34 3.266 2.150 -0.611 232 H GLN 35 H GLN 35 2.964 5.217 -3.239 233 HA GLN 35 HA GLN 35 0.854 3.469 -4.323 234 HB2 GLN 35 1HB GLN 35 0.856 5.493 -5.599 235 HB3 GLN 35 2HB GLN 35 2.609 5.473 -5.740 236 HG2 GLN 35 1HG GLN 35 2.016 4.715 -7.805 237 HG3 GLN 35 2HG GLN 35 2.178 3.187 -6.940 238 HE21 GLN 35 1HE2 GLN 35 -0.195 5.648 -7.843 239 HE22 GLN 35 2HE2 GLN 35 -1.522 4.556 -8.017 240 H LEU 36 H LEU 36 1.457 1.447 -4.702 241 HA LEU 36 HA LEU 36 4.323 0.824 -4.770 242 HB2 LEU 36 1HB LEU 36 1.880 -0.803 -4.139 243 HB3 LEU 36 2HB LEU 36 3.438 -1.558 -4.467 244 HG LEU 36 HG LEU 36 3.019 0.459 -2.270 245 HD11 LEU 36 1HD1 LEU 36 2.357 -2.404 -2.389 246 HD12 LEU 36 2HD1 LEU 36 1.746 -1.136 -1.326 247 HD13 LEU 36 3HD1 LEU 36 3.300 -1.898 -0.986 248 HD21 LEU 36 3HD2 LEU 36 5.110 -1.614 -2.150 249 HD22 LEU 36 1HD2 LEU 36 5.165 0.087 -1.688 250 HD23 LEU 36 2HD2 LEU 36 5.327 -0.371 -3.383 251 H HIS 37 H HIS 37 5.264 0.293 -6.621 252 HA HIS 37 HA HIS 37 3.557 -0.435 -8.903 253 HB2 HIS 37 1HB HIS 37 6.242 0.906 -8.711 254 HB3 HIS 37 2HB HIS 37 5.707 0.159 -10.213 255 HD1 HIS 37 1HD HIS 37 5.128 3.104 -8.015 256 HD2 HIS 37 2HD HIS 37 3.587 1.486 -11.517 257 HE1 HIS 37 1HE HIS 37 3.707 4.917 -9.024 258 HE2 HIS 37 2HE HIS 37 2.717 3.886 -11.098 259 H ALA 38 H ALA 38 3.417 -2.584 -9.065 260 HA ALA 38 HA ALA 38 5.909 -4.148 -8.865 261 HB1 ALA 38 3HB ALA 38 4.557 -6.049 -8.121 262 HB2 ALA 38 1HB ALA 38 4.398 -4.672 -7.030 263 HB3 ALA 38 2HB ALA 38 3.111 -5.041 -8.179 264 H THR 39 H THR 39 6.554 -4.682 -10.844 265 HA THR 39 HA THR 39 4.573 -5.795 -12.706 266 HB THR 39 HB THR 39 5.722 -4.687 -14.601 267 HG1 THR 39 1HG THR 39 7.069 -2.819 -13.932 268 HG21 THR 39 3HG2 THR 39 4.419 -2.828 -14.471 269 HG22 THR 39 1HG2 THR 39 4.983 -2.412 -12.853 270 HG23 THR 39 2HG2 THR 39 3.772 -3.677 -13.067 271 H ASP 40 H ASP 40 5.136 -7.827 -13.086 272 HA ASP 40 HA ASP 40 7.820 -8.766 -12.671 273 HB2 ASP 40 1HB ASP 40 5.607 -10.034 -12.243 274 HB3 ASP 40 2HB ASP 40 5.630 -10.363 -13.974 275 H ALA 41 H ALA 41 5.709 -8.243 -15.462 276 HA ALA 41 HA ALA 41 8.087 -8.431 -17.188 277 HB1 ALA 41 3HB ALA 41 5.768 -10.097 -17.253 278 HB2 ALA 41 1HB ALA 41 5.847 -9.150 -18.738 279 HB3 ALA 41 2HB ALA 41 7.211 -10.161 -18.263 280 H ASP 42 H ASP 42 8.459 -6.571 -18.181 281 HA ASP 42 HA ASP 42 6.210 -4.725 -18.618 282 HB2 ASP 42 1HB ASP 42 7.629 -2.943 -18.282 283 HB3 ASP 42 2HB ASP 42 8.385 -4.143 -17.236 284 H ILE 43 H ILE 43 7.990 -6.947 -20.239 285 HA ILE 43 HA ILE 43 8.355 -5.455 -22.699 286 HB ILE 43 HB ILE 43 9.214 -7.552 -23.628 287 HG12 ILE 43 1HG1 ILE 43 9.548 -9.343 -21.645 288 HG13 ILE 43 2HG1 ILE 43 8.014 -8.642 -21.141 289 HG21 ILE 43 1HG2 ILE 43 10.265 -6.359 -21.142 290 HG22 ILE 43 2HG2 ILE 43 10.978 -7.894 -21.634 291 HG23 ILE 43 3HG2 ILE 43 11.011 -6.514 -22.732 292 HD11 ILE 43 3HD1 ILE 43 7.059 -10.098 -22.511 293 HD12 ILE 43 1HD1 ILE 43 7.664 -9.103 -23.836 294 HD13 ILE 43 2HD1 ILE 43 8.594 -10.496 -23.283 295 H GLY 44 H GLY 44 6.757 -5.154 -24.096 296 HA2 GLY 44 1HA GLY 44 4.982 -5.642 -25.490 297 HA3 GLY 44 2HA GLY 44 5.059 -7.306 -24.930 298 H SER 45 H SER 45 3.877 -7.926 -23.090 299 HA SER 45 HA SER 45 1.826 -5.982 -22.254 300 HB2 SER 45 1HB SER 45 0.244 -7.863 -22.061 301 HB3 SER 45 2HB SER 45 0.853 -7.703 -23.708 302 HG SER 45 HG SER 45 1.558 -9.663 -23.541 303 H ASN 46 H ASN 46 0.644 -7.050 -20.200 304 HA ASN 46 HA ASN 46 2.508 -8.308 -18.379 305 HB2 ASN 46 1HB ASN 46 2.146 -6.451 -16.667 306 HB3 ASN 46 2HB ASN 46 3.240 -6.088 -17.999 307 HD21 ASN 46 1HD2 ASN 46 0.279 -5.322 -16.448 308 HD22 ASN 46 2HD2 ASN 46 -0.152 -3.978 -17.444 309 H ALA 47 H ALA 47 1.475 -8.685 -16.214 310 HA ALA 47 HA ALA 47 -1.315 -9.435 -16.633 311 HB1 ALA 47 3HB ALA 47 -1.035 -10.819 -14.632 312 HB2 ALA 47 1HB ALA 47 0.203 -11.163 -15.841 313 HB3 ALA 47 2HB ALA 47 0.599 -10.186 -14.426 314 H GLU 48 H GLU 48 -2.753 -9.276 -14.637 315 HA GLU 48 HA GLU 48 -2.509 -6.552 -13.565 316 HB2 GLU 48 1HB GLU 48 -4.870 -8.356 -14.044 317 HB3 GLU 48 2HB GLU 48 -4.988 -6.945 -13.002 318 HG2 GLU 48 1HG GLU 48 -5.774 -6.460 -15.249 319 HG3 GLU 48 2HG GLU 48 -4.351 -5.501 -14.846 320 H ILE 49 H ILE 49 -1.359 -6.717 -11.712 321 HA ILE 49 HA ILE 49 -1.857 -8.862 -9.831 322 HB ILE 49 HB ILE 49 -0.007 -6.481 -9.685 323 HG12 ILE 49 1HG1 ILE 49 0.658 -9.411 -10.004 324 HG13 ILE 49 2HG1 ILE 49 0.486 -8.306 -11.364 325 HG21 ILE 49 1HG2 ILE 49 -0.996 -8.025 -7.571 326 HG22 ILE 49 2HG2 ILE 49 0.638 -8.615 -7.873 327 HG23 ILE 49 3HG2 ILE 49 0.366 -6.905 -7.537 328 HD11 ILE 49 3HD1 ILE 49 2.466 -7.988 -9.122 329 HD12 ILE 49 1HD1 ILE 49 2.823 -8.668 -10.709 330 HD13 ILE 49 2HD1 ILE 49 2.332 -6.979 -10.563 331 H ARG 50 H ARG 50 -3.214 -8.779 -8.166 332 HA ARG 50 HA ARG 50 -4.590 -6.270 -7.600 333 HB2 ARG 50 1HB ARG 50 -5.159 -9.154 -7.141 334 HB3 ARG 50 2HB ARG 50 -5.848 -8.004 -6.003 335 HG2 ARG 50 1HG ARG 50 -6.594 -6.796 -8.233 336 HG3 ARG 50 2HG ARG 50 -6.456 -8.436 -8.871 337 HD2 ARG 50 1HD ARG 50 -7.929 -7.978 -6.318 338 HD3 ARG 50 2HD ARG 50 -8.712 -7.582 -7.847 339 HE ARG 50 HE ARG 50 -7.619 -10.179 -7.973 340 HH11 ARG 50 1HH1 ARG 50 -10.225 -8.396 -6.507 341 HH12 ARG 50 2HH1 ARG 50 -11.277 -9.769 -6.400 342 HH21 ARG 50 1HH2 ARG 50 -8.994 -11.993 -7.837 343 HH22 ARG 50 2HH2 ARG 50 -10.576 -11.814 -7.156 344 H TYR 51 H TYR 51 -4.359 -5.124 -5.769 345 HA TYR 51 HA TYR 51 -2.391 -6.092 -3.821 346 HB2 TYR 51 1HB TYR 51 -3.449 -3.302 -4.318 347 HB3 TYR 51 2HB TYR 51 -2.238 -3.724 -3.113 348 HD1 TYR 51 1HD TYR 51 -2.908 -3.576 -6.749 349 HD2 TYR 51 2HD TYR 51 0.041 -3.983 -3.709 350 HE1 TYR 51 1HE TYR 51 -1.140 -3.277 -8.433 351 HE2 TYR 51 2HE TYR 51 1.817 -3.684 -5.384 352 HH TYR 51 HH TYR 51 1.165 -3.701 -8.776 353 H ILE 52 H ILE 52 -3.235 -7.066 -2.108 354 HA ILE 52 HA ILE 52 -5.787 -6.069 -1.027 355 HB ILE 52 HB ILE 52 -6.028 -8.270 0.056 356 HG12 ILE 52 1HG1 ILE 52 -3.636 -9.105 -1.591 357 HG13 ILE 52 2HG1 ILE 52 -3.557 -8.743 0.129 358 HG21 ILE 52 1HG2 ILE 52 -7.242 -8.657 -1.764 359 HG22 ILE 52 2HG2 ILE 52 -6.135 -7.719 -2.765 360 HG23 ILE 52 3HG2 ILE 52 -5.827 -9.431 -2.476 361 HD11 ILE 52 3HD1 ILE 52 -3.683 -11.111 -0.173 362 HD12 ILE 52 1HD1 ILE 52 -5.198 -10.548 0.533 363 HD13 ILE 52 2HD1 ILE 52 -5.120 -10.950 -1.183 364 H PHE 53 H PHE 53 -5.963 -6.648 1.425 365 HA PHE 53 HA PHE 53 -3.889 -5.168 2.744 366 HB2 PHE 53 1HB PHE 53 -6.436 -6.478 3.672 367 HB3 PHE 53 2HB PHE 53 -5.299 -5.770 4.814 368 HD1 PHE 53 2HD PHE 53 -4.674 -3.313 4.482 369 HD2 PHE 53 1HD PHE 53 -8.025 -5.158 2.616 370 HE1 PHE 53 2HE PHE 53 -5.684 -1.100 4.116 371 HE2 PHE 53 1HE PHE 53 -9.041 -2.948 2.246 372 HZ PHE 53 HZ PHE 53 -7.871 -0.915 2.997 373 H GLY 54 H GLY 54 -2.348 -5.884 4.159 374 HA2 GLY 54 1HA GLY 54 -1.319 -8.472 3.837 375 HA3 GLY 54 2HA GLY 54 -0.853 -7.346 5.103 376 H ALA 55 H ALA 55 -0.652 -9.110 6.558 377 HA ALA 55 HA ALA 55 -3.180 -10.390 7.337 378 HB1 ALA 55 3HB ALA 55 -0.594 -11.418 6.986 379 HB2 ALA 55 1HB ALA 55 -0.904 -11.450 8.722 380 HB3 ALA 55 2HB ALA 55 -2.013 -12.257 7.613 381 H GLN 56 H GLN 56 -3.732 -10.546 9.575 382 HA GLN 56 HA GLN 56 -4.215 -9.538 11.565 383 HB2 GLN 56 1HB GLN 56 -1.203 -9.283 11.623 384 HB3 GLN 56 2HB GLN 56 -2.264 -9.147 13.019 385 HG2 GLN 56 1HG GLN 56 -2.919 -11.445 12.818 386 HG3 GLN 56 2HG GLN 56 -2.029 -11.607 11.305 387 HE21 GLN 56 1HE2 GLN 56 -1.503 -13.385 13.219 388 HE22 GLN 56 2HE2 GLN 56 0.036 -13.086 13.945 389 H VAL 57 H VAL 57 -4.659 -7.792 9.542 390 HA VAL 57 HA VAL 57 -3.423 -5.256 10.352 391 HB VAL 57 HB VAL 57 -5.078 -5.926 7.915 392 HG11 VAL 57 1HG1 VAL 57 -5.304 -3.754 7.478 393 HG12 VAL 57 2HG1 VAL 57 -4.777 -3.448 9.134 394 HG13 VAL 57 3HG1 VAL 57 -3.602 -3.440 7.818 395 HG21 VAL 57 3HG2 VAL 57 -3.137 -6.695 7.130 396 HG22 VAL 57 1HG2 VAL 57 -2.584 -5.020 7.128 397 HG23 VAL 57 2HG2 VAL 57 -2.242 -6.060 8.511 398 H ALA 58 H ALA 58 -4.492 -4.041 11.754 399 HA ALA 58 HA ALA 58 -7.085 -4.524 12.666 400 HB1 ALA 58 3HB ALA 58 -6.843 -2.642 14.000 401 HB2 ALA 58 1HB ALA 58 -5.175 -3.143 13.721 402 HB3 ALA 58 2HB ALA 58 -5.857 -1.798 12.806 403 HA PRO 59 HA PRO 59 -9.729 -2.744 9.637 404 HB2 PRO 59 1HB PRO 59 -11.844 -2.074 11.200 405 HB3 PRO 59 2HB PRO 59 -11.462 -3.744 10.766 406 HG2 PRO 59 1HG PRO 59 -10.849 -2.256 13.290 407 HG3 PRO 59 2HG PRO 59 -11.443 -3.914 13.085 408 HD2 PRO 59 1HD PRO 59 -8.844 -3.349 13.592 409 HD3 PRO 59 2HD PRO 59 -9.344 -4.740 12.609 410 H ALA 60 H ALA 60 -9.406 -0.895 12.661 411 HA ALA 60 HA ALA 60 -10.360 1.553 11.894 412 HB1 ALA 60 3HB ALA 60 -8.923 0.578 14.048 413 HB2 ALA 60 1HB ALA 60 -7.896 1.853 13.392 414 HB3 ALA 60 2HB ALA 60 -9.558 2.213 13.864 415 H THR 61 H THR 61 -7.068 0.311 11.384 416 HA THR 61 HA THR 61 -6.051 2.605 10.108 417 HB THR 61 HB THR 61 -5.187 -0.279 9.825 418 HG1 THR 61 1HG THR 61 -3.726 0.248 11.436 419 HG21 THR 61 3HG2 THR 61 -2.961 1.154 9.342 420 HG22 THR 61 1HG2 THR 61 -4.170 2.239 8.655 421 HG23 THR 61 2HG2 THR 61 -4.038 0.581 8.068 422 H LYS 62 H LYS 62 -7.901 -0.117 8.932 423 HA LYS 62 HA LYS 62 -7.456 0.477 6.152 424 HB2 LYS 62 1HB LYS 62 -9.424 -1.356 7.528 425 HB3 LYS 62 2HB LYS 62 -9.241 -1.236 5.783 426 HG2 LYS 62 1HG LYS 62 -6.811 -1.858 6.136 427 HG3 LYS 62 2HG LYS 62 -7.263 -2.269 7.792 428 HD2 LYS 62 1HD LYS 62 -8.638 -3.418 5.370 429 HD3 LYS 62 2HD LYS 62 -7.254 -4.186 6.153 430 HE2 LYS 62 1HE LYS 62 -9.044 -5.248 7.161 431 HE3 LYS 62 2HE LYS 62 -8.674 -3.965 8.311 432 HZ1 LYS 62 3HZ LYS 62 -11.113 -4.417 7.434 433 HZ2 LYS 62 1HZ LYS 62 -10.611 -3.352 6.219 434 HZ3 LYS 62 2HZ LYS 62 -10.576 -2.864 7.838 435 H ARG 63 H ARG 63 -9.511 1.651 8.596 436 HA ARG 63 HA ARG 63 -11.705 2.418 6.919 437 HB2 ARG 63 1HB ARG 63 -11.549 2.079 9.543 438 HB3 ARG 63 2HB ARG 63 -11.154 3.793 9.510 439 HG2 ARG 63 1HG ARG 63 -13.433 3.831 9.801 440 HG3 ARG 63 2HG ARG 63 -13.291 3.990 8.049 441 HD2 ARG 63 1HD ARG 63 -13.397 1.343 8.183 442 HD3 ARG 63 2HD ARG 63 -14.245 1.702 9.686 443 HE ARG 63 HE ARG 63 -15.342 3.268 7.636 444 HH11 ARG 63 1HH1 ARG 63 -15.137 -0.061 8.634 445 HH12 ARG 63 2HH1 ARG 63 -16.646 -0.508 7.910 446 HH21 ARG 63 1HH2 ARG 63 -17.331 2.692 6.678 447 HH22 ARG 63 2HH2 ARG 63 -17.893 1.059 6.796 448 H LEU 64 H LEU 64 -9.225 4.326 8.640 449 HA LEU 64 HA LEU 64 -9.808 6.762 7.385 450 HB2 LEU 64 1HB LEU 64 -7.526 5.660 8.925 451 HB3 LEU 64 2HB LEU 64 -7.238 7.122 7.984 452 HG LEU 64 HG LEU 64 -8.980 8.285 9.222 453 HD11 LEU 64 1HD1 LEU 64 -9.252 6.042 11.152 454 HD12 LEU 64 2HD1 LEU 64 -10.170 5.969 9.648 455 HD13 LEU 64 3HD1 LEU 64 -10.384 7.332 10.746 456 HD21 LEU 64 3HD2 LEU 64 -6.664 8.261 10.077 457 HD22 LEU 64 1HD2 LEU 64 -7.075 6.875 11.087 458 HD23 LEU 64 2HD2 LEU 64 -7.864 8.429 11.359 459 H PHE 65 H PHE 65 -7.333 4.324 6.629 460 HA PHE 65 HA PHE 65 -6.807 5.695 4.091 461 HB2 PHE 65 1HB PHE 65 -5.274 3.458 5.431 462 HB3 PHE 65 2HB PHE 65 -4.798 4.290 3.954 463 HD1 PHE 65 2HD PHE 65 -5.139 4.574 7.591 464 HD2 PHE 65 1HD PHE 65 -3.842 6.488 4.018 465 HE1 PHE 65 2HE PHE 65 -3.930 6.247 8.930 466 HE2 PHE 65 1HE PHE 65 -2.630 8.164 5.351 467 HZ PHE 65 HZ PHE 65 -2.674 8.045 7.810 468 H ALA 66 H ALA 66 -7.200 4.769 2.140 469 HA ALA 66 HA ALA 66 -8.482 2.114 2.165 470 HB1 ALA 66 3HB ALA 66 -9.483 3.204 -0.080 471 HB2 ALA 66 1HB ALA 66 -10.270 3.316 1.494 472 HB3 ALA 66 2HB ALA 66 -9.286 4.655 0.903 473 H LEU 67 H LEU 67 -7.501 0.591 1.011 474 HA LEU 67 HA LEU 67 -5.382 1.386 -0.850 475 HB2 LEU 67 1HB LEU 67 -4.494 -0.119 0.664 476 HB3 LEU 67 2HB LEU 67 -5.969 -1.082 0.725 477 HG LEU 67 HG LEU 67 -5.387 -1.752 -1.690 478 HD11 LEU 67 1HD1 LEU 67 -2.773 -1.773 -1.847 479 HD12 LEU 67 2HD1 LEU 67 -2.908 -0.346 -0.819 480 HD13 LEU 67 3HD1 LEU 67 -3.696 -0.374 -2.397 481 HD21 LEU 67 3HD2 LEU 67 -3.357 -2.822 0.196 482 HD22 LEU 67 1HD2 LEU 67 -4.455 -3.673 -0.892 483 HD23 LEU 67 2HD2 LEU 67 -5.060 -2.999 0.622 484 H ASN 68 H ASN 68 -5.680 1.259 -2.970 485 HA ASN 68 HA ASN 68 -8.117 0.165 -4.039 486 HB2 ASN 68 1HB ASN 68 -5.762 1.623 -5.200 487 HB3 ASN 68 2HB ASN 68 -6.926 0.834 -6.260 488 HD21 ASN 68 1HD2 ASN 68 -7.427 2.913 -7.089 489 HD22 ASN 68 2HD2 ASN 68 -8.477 3.976 -6.222 490 H ASN 69 H ASN 69 -8.372 -1.921 -4.453 491 HA ASN 69 HA ASN 69 -6.124 -3.695 -4.726 492 HB2 ASN 69 1HB ASN 69 -8.944 -4.523 -5.310 493 HB3 ASN 69 2HB ASN 69 -7.651 -5.440 -4.544 494 HD21 ASN 69 1HD2 ASN 69 -6.983 -4.721 -2.387 495 HD22 ASN 69 2HD2 ASN 69 -8.187 -4.086 -1.322 496 H THR 70 H THR 70 -7.167 -1.559 -6.812 497 HA THR 70 HA THR 70 -6.958 -3.348 -9.145 498 HB THR 70 HB THR 70 -8.114 -1.555 -10.436 499 HG1 THR 70 1HG THR 70 -8.568 0.285 -9.492 500 HG21 THR 70 3HG2 THR 70 -10.104 -2.027 -8.364 501 HG22 THR 70 1HG2 THR 70 -9.202 -3.483 -8.781 502 HG23 THR 70 2HG2 THR 70 -10.061 -2.588 -10.035 503 H THR 71 H THR 71 -5.768 -0.484 -7.567 504 HA THR 71 HA THR 71 -3.645 -0.303 -9.599 505 HB THR 71 HB THR 71 -3.597 2.141 -9.332 506 HG1 THR 71 1HG THR 71 -5.493 3.079 -8.262 507 HG21 THR 71 3HG2 THR 71 -5.544 2.651 -10.641 508 HG22 THR 71 1HG2 THR 71 -6.373 1.208 -10.061 509 HG23 THR 71 2HG2 THR 71 -4.969 1.054 -11.117 510 H GLY 72 H GLY 72 -4.045 -1.405 -6.735 511 HA2 GLY 72 1HA GLY 72 -2.922 -1.380 -4.706 512 HA3 GLY 72 2HA GLY 72 -1.530 -1.370 -5.779 513 H LEU 73 H LEU 73 -3.903 1.200 -5.221 514 HA LEU 73 HA LEU 73 -1.695 2.890 -4.247 515 HB2 LEU 73 1HB LEU 73 -2.332 3.870 -6.239 516 HB3 LEU 73 2HB LEU 73 -4.031 3.457 -6.016 517 HG LEU 73 HG LEU 73 -4.033 5.190 -4.143 518 HD11 LEU 73 1HD1 LEU 73 -1.358 5.207 -4.461 519 HD12 LEU 73 2HD1 LEU 73 -2.278 6.553 -3.789 520 HD13 LEU 73 3HD1 LEU 73 -1.807 6.568 -5.488 521 HD21 LEU 73 3HD2 LEU 73 -4.647 6.887 -5.626 522 HD22 LEU 73 1HD2 LEU 73 -4.934 5.401 -6.533 523 HD23 LEU 73 2HD2 LEU 73 -3.490 6.363 -6.851 524 H ILE 74 H ILE 74 -1.881 3.801 -2.294 525 HA ILE 74 HA ILE 74 -4.364 3.344 -0.808 526 HB ILE 74 HB ILE 74 -1.629 4.135 0.200 527 HG12 ILE 74 1HG1 ILE 74 -3.053 1.506 0.592 528 HG13 ILE 74 2HG1 ILE 74 -1.957 1.788 -0.756 529 HG21 ILE 74 1HG2 ILE 74 -3.734 3.076 1.997 530 HG22 ILE 74 2HG2 ILE 74 -2.444 4.233 2.320 531 HG23 ILE 74 3HG2 ILE 74 -3.891 4.746 1.453 532 HD11 ILE 74 3HD1 ILE 74 -0.188 1.409 0.516 533 HD12 ILE 74 1HD1 ILE 74 -0.742 2.551 1.740 534 HD13 ILE 74 2HD1 ILE 74 -1.299 0.878 1.778 535 H THR 75 H THR 75 -5.752 4.957 -0.589 536 HA THR 75 HA THR 75 -4.726 7.721 -0.647 537 HB THR 75 HB THR 75 -7.099 8.308 -1.407 538 HG1 THR 75 1HG THR 75 -8.290 6.514 -1.230 539 HG21 THR 75 3HG2 THR 75 -4.931 7.057 -2.983 540 HG22 THR 75 1HG2 THR 75 -5.658 8.657 -3.128 541 HG23 THR 75 2HG2 THR 75 -6.483 7.248 -3.797 542 H VAL 76 H VAL 76 -6.070 9.299 0.545 543 HA VAL 76 HA VAL 76 -6.666 8.291 3.177 544 HB VAL 76 HB VAL 76 -6.894 11.088 2.057 545 HG11 VAL 76 1HG1 VAL 76 -7.617 11.836 4.051 546 HG12 VAL 76 2HG1 VAL 76 -8.160 10.172 4.275 547 HG13 VAL 76 3HG1 VAL 76 -6.619 10.698 4.955 548 HG21 VAL 76 3HG2 VAL 76 -4.618 9.648 2.516 549 HG22 VAL 76 1HG2 VAL 76 -4.729 11.408 2.541 550 HG23 VAL 76 2HG2 VAL 76 -4.831 10.496 4.047 551 H GLN 77 H GLN 77 -8.544 7.259 3.458 552 HA GLN 77 HA GLN 77 -10.886 7.777 1.938 553 HB2 GLN 77 1HB GLN 77 -10.245 5.605 3.107 554 HB3 GLN 77 2HB GLN 77 -10.793 6.361 4.597 555 HG2 GLN 77 1HG GLN 77 -13.003 6.747 3.420 556 HG3 GLN 77 2HG GLN 77 -12.408 5.656 2.170 557 HE21 GLN 77 1HE2 GLN 77 -11.256 3.654 3.372 558 HE22 GLN 77 2HE2 GLN 77 -12.309 2.849 4.479 559 H ARG 78 H ARG 78 -10.069 8.426 5.346 560 HA ARG 78 HA ARG 78 -11.852 10.744 5.269 561 HB2 ARG 78 1HB ARG 78 -11.919 8.828 7.593 562 HB3 ARG 78 2HB ARG 78 -13.017 10.158 7.249 563 HG2 ARG 78 1HG ARG 78 -13.935 8.961 5.362 564 HG3 ARG 78 2HG ARG 78 -12.776 7.651 5.599 565 HD2 ARG 78 1HD ARG 78 -15.042 7.169 6.504 566 HD3 ARG 78 2HD ARG 78 -13.758 7.083 7.709 567 HE ARG 78 HE ARG 78 -14.904 9.665 7.685 568 HH11 ARG 78 1HH1 ARG 78 -15.567 6.393 8.670 569 HH12 ARG 78 2HH1 ARG 78 -16.631 6.857 9.955 570 HH21 ARG 78 1HH2 ARG 78 -16.303 10.289 9.375 571 HH22 ARG 78 2HH2 ARG 78 -17.050 9.074 10.355 572 H SER 79 H SER 79 -11.596 12.055 7.353 573 HA SER 79 HA SER 79 -9.051 13.024 7.590 574 HB2 SER 79 1HB SER 79 -9.796 14.290 9.410 575 HB3 SER 79 2HB SER 79 -11.295 13.920 8.558 576 HG SER 79 HG SER 79 -11.197 13.555 10.938 577 H LEU 80 H LEU 80 -7.410 12.858 9.201 578 HA LEU 80 HA LEU 80 -7.235 10.161 10.357 579 HB2 LEU 80 1HB LEU 80 -4.961 12.083 9.943 580 HB3 LEU 80 2HB LEU 80 -4.876 10.350 10.255 581 HG LEU 80 HG LEU 80 -6.157 11.357 7.745 582 HD11 LEU 80 1HD1 LEU 80 -3.599 12.107 8.400 583 HD12 LEU 80 2HD1 LEU 80 -4.248 11.969 6.767 584 HD13 LEU 80 3HD1 LEU 80 -3.351 10.626 7.475 585 HD21 LEU 80 3HD2 LEU 80 -6.434 9.032 8.165 586 HD22 LEU 80 1HD2 LEU 80 -4.731 8.840 8.583 587 HD23 LEU 80 2HD2 LEU 80 -5.196 9.190 6.918 588 H ASP 81 H ASP 81 -6.474 9.872 12.481 589 HA ASP 81 HA ASP 81 -6.633 12.279 14.176 590 HB2 ASP 81 1HB ASP 81 -7.523 9.474 14.882 591 HB3 ASP 81 2HB ASP 81 -7.603 10.879 15.941 592 H ARG 82 H ARG 82 -5.317 12.311 16.062 593 HA ARG 82 HA ARG 82 -2.998 10.499 15.901 594 HB2 ARG 82 1HB ARG 82 -3.146 13.411 16.678 595 HB3 ARG 82 2HB ARG 82 -1.737 12.407 16.991 596 HG2 ARG 82 1HG ARG 82 -1.748 11.920 14.484 597 HG3 ARG 82 2HG ARG 82 -2.863 13.282 14.356 598 HD2 ARG 82 1HD ARG 82 -0.316 13.625 15.868 599 HD3 ARG 82 2HD ARG 82 -0.273 13.630 14.105 600 HE ARG 82 HE ARG 82 -1.344 15.669 14.105 601 HH11 ARG 82 1HH1 ARG 82 -1.389 14.304 17.307 602 HH12 ARG 82 2HH1 ARG 82 -1.953 15.758 18.061 603 HH21 ARG 82 1HH2 ARG 82 -2.087 17.590 15.085 604 HH22 ARG 82 2HH2 ARG 82 -2.351 17.626 16.796 605 H GLU 83 H GLU 83 -5.148 12.288 18.058 606 HA GLU 83 HA GLU 83 -4.193 11.780 20.530 607 HB2 GLU 83 1HB GLU 83 -6.647 11.431 21.220 608 HB3 GLU 83 2HB GLU 83 -6.216 12.949 20.446 609 HG2 GLU 83 1HG GLU 83 -8.089 12.468 19.273 610 HG3 GLU 83 2HG GLU 83 -6.913 11.620 18.271 611 H GLU 84 H GLU 84 -5.393 9.427 18.286 612 HA GLU 84 HA GLU 84 -5.333 7.326 20.326 613 HB2 GLU 84 1HB GLU 84 -7.245 7.614 18.622 614 HB3 GLU 84 2HB GLU 84 -6.119 6.948 17.447 615 HG2 GLU 84 1HG GLU 84 -6.568 5.470 19.987 616 HG3 GLU 84 2HG GLU 84 -7.812 5.417 18.739 617 H THR 85 H THR 85 -4.188 7.753 16.973 618 HA THR 85 HA THR 85 -1.685 6.421 17.726 619 HB THR 85 HB THR 85 -3.195 4.737 16.669 620 HG1 THR 85 1HG THR 85 -1.492 4.439 14.812 621 HG21 THR 85 3HG2 THR 85 -4.278 6.415 15.121 622 HG22 THR 85 1HG2 THR 85 -3.809 4.887 14.377 623 HG23 THR 85 2HG2 THR 85 -2.818 6.326 14.136 624 H ALA 86 H ALA 86 0.111 7.252 16.789 625 HA ALA 86 HA ALA 86 -0.273 9.585 15.058 626 HB1 ALA 86 3HB ALA 86 2.140 8.693 16.633 627 HB2 ALA 86 1HB ALA 86 2.042 10.159 15.658 628 HB3 ALA 86 2HB ALA 86 1.011 9.973 17.077 629 H ILE 87 H ILE 87 1.583 6.572 15.257 630 HA ILE 87 HA ILE 87 2.442 6.932 12.477 631 HB ILE 87 HB ILE 87 3.355 4.941 14.556 632 HG12 ILE 87 1HG1 ILE 87 4.106 7.249 14.966 633 HG13 ILE 87 2HG1 ILE 87 5.450 6.206 14.520 634 HG21 ILE 87 1HG2 ILE 87 4.087 5.304 11.669 635 HG22 ILE 87 2HG2 ILE 87 5.188 4.545 12.817 636 HG23 ILE 87 3HG2 ILE 87 3.605 3.831 12.511 637 HD11 ILE 87 3HD1 ILE 87 5.758 8.246 13.382 638 HD12 ILE 87 1HD1 ILE 87 5.203 7.083 12.178 639 HD13 ILE 87 2HD1 ILE 87 4.082 8.276 12.834 640 H HIS 88 H HIS 88 1.842 5.575 10.857 641 HA HIS 88 HA HIS 88 -0.012 3.393 11.551 642 HB2 HIS 88 1HB HIS 88 -0.223 5.506 9.431 643 HB3 HIS 88 2HB HIS 88 -1.002 3.943 9.201 644 HD1 HIS 88 1HD HIS 88 -2.762 3.281 11.165 645 HD2 HIS 88 2HD HIS 88 -1.679 7.283 10.884 646 HE1 HIS 88 1HE HIS 88 -4.525 4.546 12.437 647 HE2 HIS 88 2HE HIS 88 -3.895 6.971 12.181 648 H LYS 89 H LYS 89 0.823 1.490 11.043 649 HA LYS 89 HA LYS 89 2.708 1.326 8.789 650 HB2 LYS 89 1HB LYS 89 2.447 -0.220 11.346 651 HB3 LYS 89 2HB LYS 89 3.245 -0.946 9.957 652 HG2 LYS 89 1HG LYS 89 4.990 0.583 9.999 653 HG3 LYS 89 2HG LYS 89 4.071 1.753 10.949 654 HD2 LYS 89 1HD LYS 89 4.089 -0.121 12.761 655 HD3 LYS 89 2HD LYS 89 5.456 -0.746 11.836 656 HE2 LYS 89 1HE LYS 89 5.294 2.101 12.798 657 HE3 LYS 89 2HE LYS 89 6.012 0.808 13.758 658 HZ1 LYS 89 3HZ LYS 89 7.003 2.088 11.329 659 HZ2 LYS 89 1HZ LYS 89 7.320 0.437 11.512 660 HZ3 LYS 89 2HZ LYS 89 7.852 1.535 12.684 661 H VAL 90 H VAL 90 1.602 0.770 7.011 662 HA VAL 90 HA VAL 90 -0.375 -1.403 7.221 663 HB VAL 90 HB VAL 90 -0.104 0.699 5.067 664 HG11 VAL 90 1HG1 VAL 90 -1.497 -0.487 3.800 665 HG12 VAL 90 2HG1 VAL 90 -1.247 -1.836 4.910 666 HG13 VAL 90 3HG1 VAL 90 -2.607 -0.737 5.148 667 HG21 VAL 90 3HG2 VAL 90 -1.073 1.929 6.711 668 HG22 VAL 90 1HG2 VAL 90 -2.525 1.130 6.109 669 HG23 VAL 90 2HG2 VAL 90 -1.711 0.513 7.547 670 H THR 91 H THR 91 -0.031 -3.269 6.182 671 HA THR 91 HA THR 91 2.341 -3.446 4.447 672 HB THR 91 HB THR 91 0.957 -5.680 5.945 673 HG1 THR 91 1HG THR 91 2.772 -5.541 7.329 674 HG21 THR 91 3HG2 THR 91 3.573 -5.616 4.436 675 HG22 THR 91 1HG2 THR 91 2.101 -6.439 3.923 676 HG23 THR 91 2HG2 THR 91 2.956 -6.981 5.367 677 H VAL 92 H VAL 92 1.869 -3.480 2.354 678 HA VAL 92 HA VAL 92 -0.692 -4.593 1.468 679 HB VAL 92 HB VAL 92 1.325 -3.031 -0.148 680 HG11 VAL 92 1HG1 VAL 92 -0.262 -2.920 -1.846 681 HG12 VAL 92 2HG1 VAL 92 -0.404 -4.582 -1.269 682 HG13 VAL 92 3HG1 VAL 92 -1.586 -3.370 -0.772 683 HG21 VAL 92 3HG2 VAL 92 0.149 -1.066 0.293 684 HG22 VAL 92 1HG2 VAL 92 -1.257 -1.934 0.909 685 HG23 VAL 92 2HG2 VAL 92 0.224 -1.862 1.865 686 H LEU 93 H LEU 93 -0.847 -6.242 -0.021 687 HA LEU 93 HA LEU 93 1.635 -7.753 -0.490 688 HB2 LEU 93 1HB LEU 93 -1.224 -8.630 -0.204 689 HB3 LEU 93 2HB LEU 93 0.023 -9.683 -0.869 690 HG LEU 93 HG LEU 93 0.144 -8.478 1.892 691 HD11 LEU 93 1HD1 LEU 93 -1.793 -9.943 1.723 692 HD12 LEU 93 2HD1 LEU 93 -0.531 -10.678 2.710 693 HD13 LEU 93 3HD1 LEU 93 -0.781 -11.222 1.051 694 HD21 LEU 93 3HD2 LEU 93 2.030 -9.847 0.261 695 HD22 LEU 93 1HD2 LEU 93 1.589 -10.896 1.608 696 HD23 LEU 93 2HD2 LEU 93 2.213 -9.275 1.920 697 H ALA 94 H ALA 94 1.874 -8.856 -2.521 698 HA ALA 94 HA ALA 94 0.173 -7.911 -4.707 699 HB1 ALA 94 3HB ALA 94 2.256 -7.438 -6.056 700 HB2 ALA 94 1HB ALA 94 1.889 -6.287 -4.771 701 HB3 ALA 94 2HB ALA 94 3.148 -7.500 -4.536 702 H SER 95 H SER 95 -0.392 -9.564 -5.950 703 HA SER 95 HA SER 95 1.444 -11.857 -6.171 704 HB2 SER 95 1HB SER 95 -0.567 -12.292 -4.700 705 HB3 SER 95 2HB SER 95 -1.572 -12.073 -6.133 706 HG SER 95 HG SER 95 -0.452 -14.281 -5.366 707 H ASP 96 H ASP 96 1.432 -12.983 -8.149 708 HA ASP 96 HA ASP 96 -0.002 -11.682 -10.360 709 HB2 ASP 96 1HB ASP 96 2.105 -12.080 -11.747 710 HB3 ASP 96 2HB ASP 96 2.165 -10.763 -10.578 711 H GLY 97 H GLY 97 -0.521 -14.144 -8.878 712 HA2 GLY 97 1HA GLY 97 -1.602 -15.890 -10.429 713 HA3 GLY 97 2HA GLY 97 0.058 -16.180 -10.925 714 H SER 98 H SER 98 1.368 -17.436 -9.683 715 HA SER 98 HA SER 98 0.094 -18.690 -7.347 716 HB2 SER 98 1HB SER 98 2.199 -19.690 -9.267 717 HB3 SER 98 2HB SER 98 1.822 -20.513 -7.754 718 HG SER 98 HG SER 98 0.653 -21.297 -9.621 719 H SER 99 H SER 99 3.252 -17.555 -8.526 720 HA SER 99 HA SER 99 4.922 -17.875 -6.476 721 HB2 SER 99 1HB SER 99 6.033 -15.806 -7.056 722 HB3 SER 99 2HB SER 99 5.402 -16.534 -8.533 723 HG SER 99 HG SER 99 3.655 -14.821 -7.283 724 H THR 100 H THR 100 5.103 -17.369 -4.384 725 HA THR 100 HA THR 100 3.064 -16.546 -2.788 726 HB THR 100 HB THR 100 4.730 -15.934 -1.074 727 HG1 THR 100 1HG THR 100 6.938 -15.979 -1.639 728 HG21 THR 100 3HG2 THR 100 5.718 -18.362 -2.549 729 HG22 THR 100 1HG2 THR 100 4.167 -18.341 -1.711 730 HG23 THR 100 2HG2 THR 100 5.660 -18.084 -0.809 731 HA PRO 101 HA PRO 101 2.416 -12.248 -3.508 732 HB2 PRO 101 1HB PRO 101 1.193 -11.610 -1.170 733 HB3 PRO 101 2HB PRO 101 0.396 -12.532 -2.450 734 HG2 PRO 101 1HG PRO 101 1.699 -13.513 0.060 735 HG3 PRO 101 2HG PRO 101 0.168 -14.020 -0.678 736 HD2 PRO 101 1HD PRO 101 2.456 -15.445 -0.943 737 HD3 PRO 101 2HD PRO 101 1.215 -15.386 -2.211 738 H ALA 102 H ALA 102 3.966 -10.755 -3.457 739 HA ALA 102 HA ALA 102 6.012 -10.669 -1.502 740 HB1 ALA 102 3HB ALA 102 5.208 -8.728 -3.657 741 HB2 ALA 102 1HB ALA 102 6.617 -8.502 -2.621 742 HB3 ALA 102 2HB ALA 102 6.524 -9.902 -3.690 743 H ARG 103 H ARG 103 6.344 -9.325 0.225 744 HA ARG 103 HA ARG 103 4.020 -7.727 1.071 745 HB2 ARG 103 1HB ARG 103 4.670 -8.132 3.354 746 HB3 ARG 103 2HB ARG 103 4.598 -9.674 2.512 747 HG2 ARG 103 1HG ARG 103 7.043 -9.631 2.261 748 HG3 ARG 103 2HG ARG 103 7.089 -8.115 3.163 749 HD2 ARG 103 1HD ARG 103 6.589 -9.126 5.156 750 HD3 ARG 103 2HD ARG 103 5.701 -10.441 4.387 751 HE ARG 103 HE ARG 103 8.523 -10.348 4.959 752 HH11 ARG 103 1HH1 ARG 103 6.017 -11.809 3.034 753 HH12 ARG 103 2HH1 ARG 103 6.926 -13.246 2.706 754 HH21 ARG 103 1HH2 ARG 103 9.730 -12.236 4.534 755 HH22 ARG 103 2HH2 ARG 103 9.038 -13.489 3.560 756 H ALA 104 H ALA 104 4.359 -5.692 2.021 757 HA ALA 104 HA ALA 104 7.045 -4.580 2.029 758 HB1 ALA 104 3HB ALA 104 6.816 -3.744 -0.036 759 HB2 ALA 104 1HB ALA 104 5.071 -3.999 -0.049 760 HB3 ALA 104 2HB ALA 104 5.748 -2.564 0.724 761 H THR 105 H THR 105 7.262 -3.441 3.830 762 HA THR 105 HA THR 105 4.901 -2.581 5.292 763 HB THR 105 HB THR 105 7.822 -2.453 6.066 764 HG1 THR 105 1HG THR 105 5.754 -4.333 6.510 765 HG21 THR 105 3HG2 THR 105 6.321 -0.775 7.179 766 HG22 THR 105 1HG2 THR 105 7.092 -1.917 8.279 767 HG23 THR 105 2HG2 THR 105 5.399 -2.129 7.833 768 H VAL 106 H VAL 106 4.265 -0.517 5.596 769 HA VAL 106 HA VAL 106 5.968 1.618 4.487 770 HB VAL 106 HB VAL 106 2.959 1.416 4.285 771 HG11 VAL 106 1HG1 VAL 106 3.209 3.676 4.423 772 HG12 VAL 106 2HG1 VAL 106 4.871 3.642 3.832 773 HG13 VAL 106 3HG1 VAL 106 3.528 3.465 2.702 774 HG21 VAL 106 3HG2 VAL 106 3.206 0.973 2.018 775 HG22 VAL 106 1HG2 VAL 106 4.867 1.564 1.982 776 HG23 VAL 106 2HG2 VAL 106 4.497 0.018 2.745 777 H THR 107 H THR 107 6.297 3.340 5.760 778 HA THR 107 HA THR 107 4.846 3.435 8.317 779 HB THR 107 HB THR 107 7.478 4.771 7.673 780 HG1 THR 107 1HG THR 107 6.861 2.184 8.595 781 HG21 THR 107 3HG2 THR 107 6.526 4.036 10.407 782 HG22 THR 107 1HG2 THR 107 5.890 5.487 9.635 783 HG23 THR 107 2HG2 THR 107 7.624 5.322 9.909 784 H ILE 108 H ILE 108 3.287 4.904 8.402 785 HA ILE 108 HA ILE 108 3.558 7.362 6.811 786 HB ILE 108 HB ILE 108 1.040 6.286 8.078 787 HG12 ILE 108 1HG1 ILE 108 1.718 6.113 5.151 788 HG13 ILE 108 2HG1 ILE 108 2.170 4.829 6.268 789 HG21 ILE 108 1HG2 ILE 108 0.906 8.637 7.660 790 HG22 ILE 108 2HG2 ILE 108 1.561 8.437 6.036 791 HG23 ILE 108 3HG2 ILE 108 -0.040 7.808 6.424 792 HD11 ILE 108 3HD1 ILE 108 -0.157 4.938 4.897 793 HD12 ILE 108 1HD1 ILE 108 0.079 4.049 6.401 794 HD13 ILE 108 2HD1 ILE 108 -0.632 5.663 6.433 795 H ASN 109 H ASN 109 3.722 9.294 7.772 796 HA ASN 109 HA ASN 109 3.384 9.398 10.697 797 HB2 ASN 109 1HB ASN 109 5.367 10.713 8.866 798 HB3 ASN 109 2HB ASN 109 4.982 11.439 10.423 799 HD21 ASN 109 1HD2 ASN 109 6.100 8.466 8.897 800 HD22 ASN 109 2HD2 ASN 109 7.053 7.926 10.233 801 H VAL 110 H VAL 110 2.034 10.873 11.546 802 HA VAL 110 HA VAL 110 0.577 12.596 9.678 803 HB VAL 110 HB VAL 110 -0.093 11.911 12.543 804 HG11 VAL 110 1HG1 VAL 110 -1.811 13.330 12.417 805 HG12 VAL 110 2HG1 VAL 110 -1.002 14.012 11.005 806 HG13 VAL 110 3HG1 VAL 110 -2.250 12.782 10.799 807 HG21 VAL 110 3HG2 VAL 110 -0.538 10.495 10.025 808 HG22 VAL 110 1HG2 VAL 110 -0.631 9.913 11.687 809 HG23 VAL 110 2HG2 VAL 110 -2.006 10.750 10.968 810 H THR 111 H THR 111 1.240 14.625 9.499 811 HA THR 111 HA THR 111 2.613 15.896 11.757 812 HB THR 111 HB THR 111 3.441 17.537 10.183 813 HG1 THR 111 1HG THR 111 1.597 16.287 8.442 814 HG21 THR 111 3HG2 THR 111 5.052 16.039 9.813 815 HG22 THR 111 1HG2 THR 111 4.170 15.532 8.374 816 HG23 THR 111 2HG2 THR 111 3.907 14.702 9.908 817 H ASP 112 H ASP 112 2.080 18.057 12.378 818 HA ASP 112 HA ASP 112 -0.646 18.522 12.754 819 HB2 ASP 112 1HB ASP 112 1.441 19.497 13.984 820 HB3 ASP 112 2HB ASP 112 1.332 20.777 12.780 821 H VAL 113 H VAL 113 -1.514 20.884 12.152 822 HA VAL 113 HA VAL 113 -1.025 21.422 9.314 823 HB VAL 113 HB VAL 113 -3.618 21.713 9.157 824 HG11 VAL 113 1HG1 VAL 113 -2.670 18.873 9.193 825 HG12 VAL 113 2HG1 VAL 113 -3.750 19.676 8.051 826 HG13 VAL 113 3HG1 VAL 113 -2.021 20.025 8.026 827 HG21 VAL 113 3HG2 VAL 113 -4.825 20.005 10.483 828 HG22 VAL 113 1HG2 VAL 113 -3.347 19.717 11.401 829 HG23 VAL 113 2HG2 VAL 113 -4.139 21.291 11.476 830 H ASN 114 H ASN 114 -0.640 23.515 9.083 831 HA ASN 114 HA ASN 114 -1.152 25.408 11.139 832 HB2 ASN 114 1HB ASN 114 -0.080 26.992 9.751 833 HB3 ASN 114 2HB ASN 114 0.721 25.464 9.398 834 HD21 ASN 114 1HD2 ASN 114 0.943 24.947 7.347 835 HD22 ASN 114 2HD2 ASN 114 0.029 25.596 6.032 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -4.981 -28.585 -20.996 2 HA2 GLY 1 1HA GLY 1 -4.172 -28.166 -23.804 3 HA3 GLY 1 2HA GLY 1 -3.685 -27.137 -22.465 4 H SER 2 H SER 2 -2.485 -29.250 -24.555 5 HA SER 2 HA SER 2 -0.860 -30.804 -22.708 6 HB2 SER 2 1HB SER 2 -0.895 -30.748 -25.736 7 HB3 SER 2 2HB SER 2 0.035 -31.874 -24.747 8 HG SER 2 HG SER 2 -1.730 -32.967 -24.310 9 H SER 3 H SER 3 -0.173 -28.708 -25.515 10 HA SER 3 HA SER 3 2.512 -28.400 -25.274 11 HB2 SER 3 1HB SER 3 0.450 -26.312 -26.000 12 HB3 SER 3 2HB SER 3 2.185 -26.067 -26.197 13 HG SER 3 HG SER 3 0.728 -27.035 -27.991 14 H GLY 4 H GLY 4 3.814 -26.573 -24.429 15 HA2 GLY 4 1HA GLY 4 2.725 -25.354 -21.993 16 HA3 GLY 4 2HA GLY 4 4.160 -26.358 -21.848 17 H SER 5 H SER 5 6.109 -25.671 -22.879 18 HA SER 5 HA SER 5 7.706 -24.031 -23.063 19 HB2 SER 5 1HB SER 5 6.734 -24.351 -25.382 20 HB3 SER 5 2HB SER 5 5.774 -22.900 -25.094 21 HG SER 5 HG SER 5 7.468 -21.799 -25.628 22 H SER 6 H SER 6 6.146 -23.470 -20.884 23 HA SER 6 HA SER 6 6.005 -20.532 -20.983 24 HB2 SER 6 1HB SER 6 4.031 -20.496 -19.653 25 HB3 SER 6 2HB SER 6 3.729 -21.674 -20.930 26 HG SER 6 HG SER 6 4.598 -23.223 -19.246 27 H GLY 7 H GLY 7 7.291 -19.576 -19.552 28 HA2 GLY 7 1HA GLY 7 7.786 -20.833 -16.965 29 HA3 GLY 7 2HA GLY 7 9.186 -20.586 -18.000 30 H ASN 8 H ASN 8 6.331 -18.609 -17.188 31 HA ASN 8 HA ASN 8 7.367 -16.125 -17.386 32 HB2 ASN 8 1HB ASN 8 5.023 -16.862 -16.603 33 HB3 ASN 8 2HB ASN 8 5.703 -16.835 -14.979 34 HD21 ASN 8 1HD2 ASN 8 3.808 -15.226 -14.989 35 HD22 ASN 8 2HD2 ASN 8 4.239 -13.576 -15.269 36 H ASP 9 H ASP 9 7.466 -18.018 -14.363 37 HA ASP 9 HA ASP 9 8.725 -17.727 -12.466 38 HB2 ASP 9 1HB ASP 9 10.855 -17.477 -14.601 39 HB3 ASP 9 2HB ASP 9 11.155 -17.839 -12.903 40 H ASN 10 H ASN 10 7.482 -15.333 -13.198 41 HA ASN 10 HA ASN 10 9.526 -13.359 -12.419 42 HB2 ASN 10 1HB ASN 10 7.192 -13.064 -14.308 43 HB3 ASN 10 2HB ASN 10 8.006 -11.675 -13.594 44 HD21 ASN 10 1HD2 ASN 10 8.024 -11.693 -16.200 45 HD22 ASN 10 2HD2 ASN 10 9.554 -12.171 -16.846 46 H ARG 11 H ARG 11 9.224 -12.807 -10.369 47 HA ARG 11 HA ARG 11 6.540 -12.884 -9.220 48 HB2 ARG 11 1HB ARG 11 7.885 -13.908 -7.683 49 HB3 ARG 11 2HB ARG 11 9.305 -12.980 -8.149 50 HG2 ARG 11 1HG ARG 11 8.814 -11.252 -6.733 51 HG3 ARG 11 2HG ARG 11 7.080 -11.578 -6.761 52 HD2 ARG 11 1HD ARG 11 7.751 -12.234 -4.622 53 HD3 ARG 11 2HD ARG 11 7.660 -13.744 -5.527 54 HE ARG 11 HE ARG 11 10.272 -12.518 -5.488 55 HH11 ARG 11 1HH1 ARG 11 8.087 -14.730 -3.921 56 HH12 ARG 11 2HH1 ARG 11 9.346 -15.615 -3.126 57 HH21 ARG 11 1HH2 ARG 11 11.938 -13.676 -4.446 58 HH22 ARG 11 2HH2 ARG 11 11.536 -15.014 -3.424 59 HA PRO 12 HA PRO 12 6.023 -8.514 -9.490 60 HB2 PRO 12 1HB PRO 12 4.086 -8.228 -7.609 61 HB3 PRO 12 2HB PRO 12 3.780 -8.921 -9.206 62 HG2 PRO 12 1HG PRO 12 4.229 -10.310 -6.593 63 HG3 PRO 12 2HG PRO 12 3.039 -10.665 -7.858 64 HD2 PRO 12 1HD PRO 12 5.334 -12.075 -7.581 65 HD3 PRO 12 2HD PRO 12 4.571 -11.793 -9.159 66 H VAL 13 H VAL 13 8.001 -7.745 -8.700 67 HA VAL 13 HA VAL 13 8.266 -7.449 -5.795 68 HB VAL 13 HB VAL 13 10.596 -6.728 -6.300 69 HG11 VAL 13 1HG1 VAL 13 10.116 -9.378 -7.610 70 HG12 VAL 13 2HG1 VAL 13 11.416 -8.892 -6.520 71 HG13 VAL 13 3HG1 VAL 13 9.786 -9.146 -5.894 72 HG21 VAL 13 3HG2 VAL 13 9.559 -6.624 -8.960 73 HG22 VAL 13 1HG2 VAL 13 11.137 -6.109 -8.362 74 HG23 VAL 13 2HG2 VAL 13 10.898 -7.770 -8.905 75 H PHE 14 H PHE 14 7.909 -5.563 -4.828 76 HA PHE 14 HA PHE 14 6.929 -3.320 -6.219 77 HB2 PHE 14 1HB PHE 14 7.966 -3.571 -3.389 78 HB3 PHE 14 2HB PHE 14 7.122 -2.158 -4.016 79 HD1 PHE 14 1HD PHE 14 4.771 -2.589 -5.023 80 HD2 PHE 14 2HD PHE 14 6.768 -5.267 -2.386 81 HE1 PHE 14 1HE PHE 14 2.614 -3.618 -4.440 82 HE2 PHE 14 2HE PHE 14 4.614 -6.300 -1.799 83 HZ PHE 14 HZ PHE 14 2.533 -5.477 -2.826 84 H LYS 15 H LYS 15 7.867 -1.091 -6.000 85 HA LYS 15 HA LYS 15 10.409 -1.004 -7.236 86 HB2 LYS 15 1HB LYS 15 10.197 1.452 -6.998 87 HB3 LYS 15 2HB LYS 15 8.759 0.709 -7.687 88 HG2 LYS 15 1HG LYS 15 7.895 0.707 -5.244 89 HG3 LYS 15 2HG LYS 15 9.153 1.918 -4.985 90 HD2 LYS 15 1HD LYS 15 7.210 2.182 -7.252 91 HD3 LYS 15 2HD LYS 15 6.774 2.704 -5.623 92 HE2 LYS 15 1HE LYS 15 8.467 4.329 -5.575 93 HE3 LYS 15 2HE LYS 15 9.309 3.615 -6.950 94 HZ1 LYS 15 3HZ LYS 15 6.928 5.326 -6.914 95 HZ2 LYS 15 1HZ LYS 15 7.084 4.189 -8.157 96 HZ3 LYS 15 2HZ LYS 15 8.272 5.373 -7.940 97 H GLU 16 H GLU 16 9.333 -0.009 -3.989 98 HA GLU 16 HA GLU 16 12.091 -0.404 -3.053 99 HB2 GLU 16 1HB GLU 16 10.298 1.888 -2.234 100 HB3 GLU 16 2HB GLU 16 11.919 1.574 -1.631 101 HG2 GLU 16 1HG GLU 16 11.490 1.947 -4.556 102 HG3 GLU 16 2HG GLU 16 11.518 3.351 -3.491 103 H GLY 17 H GLY 17 12.230 -1.693 -1.333 104 HA2 GLY 17 1HA GLY 17 10.294 -3.234 -0.275 105 HA3 GLY 17 2HA GLY 17 11.663 -2.690 0.682 106 H GLN 18 H GLN 18 11.328 -0.249 1.385 107 HA GLN 18 HA GLN 18 8.558 0.092 2.304 108 HB2 GLN 18 1HB GLN 18 9.280 0.645 4.530 109 HB3 GLN 18 2HB GLN 18 9.948 -0.925 4.104 110 HG2 GLN 18 1HG GLN 18 11.763 0.062 5.068 111 HG3 GLN 18 2HG GLN 18 12.022 0.487 3.377 112 HE21 GLN 18 1HE2 GLN 18 10.441 1.708 6.304 113 HE22 GLN 18 2HE2 GLN 18 10.832 3.369 6.031 114 H VAL 19 H VAL 19 8.057 2.293 3.005 115 HA VAL 19 HA VAL 19 9.893 4.385 2.166 116 HB VAL 19 HB VAL 19 7.147 4.152 0.929 117 HG11 VAL 19 1HG1 VAL 19 7.303 6.292 0.340 118 HG12 VAL 19 2HG1 VAL 19 8.671 6.422 1.447 119 HG13 VAL 19 3HG1 VAL 19 8.946 6.072 -0.260 120 HG21 VAL 19 3HG2 VAL 19 8.829 2.563 0.016 121 HG22 VAL 19 1HG2 VAL 19 8.262 3.748 -1.161 122 HG23 VAL 19 2HG2 VAL 19 9.843 3.942 -0.406 123 H GLU 20 H GLU 20 9.690 6.178 3.380 124 HA GLU 20 HA GLU 20 7.496 6.238 5.325 125 HB2 GLU 20 1HB GLU 20 9.901 6.274 6.096 126 HB3 GLU 20 2HB GLU 20 10.036 7.868 5.368 127 HG2 GLU 20 1HG GLU 20 8.221 8.658 6.840 128 HG3 GLU 20 2HG GLU 20 8.195 7.073 7.611 129 H VAL 21 H VAL 21 6.044 7.860 5.403 130 HA VAL 21 HA VAL 21 6.467 10.196 3.667 131 HB VAL 21 HB VAL 21 4.129 10.148 2.968 132 HG11 VAL 21 1HG1 VAL 21 6.107 8.696 1.917 133 HG12 VAL 21 2HG1 VAL 21 4.985 7.391 2.310 134 HG13 VAL 21 3HG1 VAL 21 4.474 8.707 1.251 135 HG21 VAL 21 3HG2 VAL 21 3.740 7.388 3.995 136 HG22 VAL 21 1HG2 VAL 21 3.573 8.725 5.134 137 HG23 VAL 21 2HG2 VAL 21 2.558 8.662 3.694 138 H HIS 22 H HIS 22 4.921 11.991 4.184 139 HA HIS 22 HA HIS 22 4.116 11.990 7.010 140 HB2 HIS 22 1HB HIS 22 5.020 14.237 7.307 141 HB3 HIS 22 2HB HIS 22 6.297 13.127 6.817 142 HD1 HIS 22 1HD HIS 22 7.101 13.330 4.290 143 HD2 HIS 22 2HD HIS 22 4.637 16.388 5.646 144 HE1 HIS 22 1HE HIS 22 7.363 15.194 2.622 145 HE2 HIS 22 2HE HIS 22 5.929 17.065 3.509 146 H ILE 23 H ILE 23 2.005 12.340 7.080 147 HA ILE 23 HA ILE 23 0.848 14.324 5.236 148 HB ILE 23 HB ILE 23 0.255 11.972 4.600 149 HG12 ILE 23 1HG1 ILE 23 -1.966 13.826 5.484 150 HG13 ILE 23 2HG1 ILE 23 -1.173 13.801 3.912 151 HG21 ILE 23 1HG2 ILE 23 -1.574 11.895 6.958 152 HG22 ILE 23 2HG2 ILE 23 -0.972 10.573 5.959 153 HG23 ILE 23 3HG2 ILE 23 0.095 11.351 7.128 154 HD11 ILE 23 3HD1 ILE 23 -2.059 11.315 3.908 155 HD12 ILE 23 1HD1 ILE 23 -3.238 11.995 5.029 156 HD13 ILE 23 2HD1 ILE 23 -3.072 12.668 3.407 157 HA PRO 24 HA PRO 24 -0.605 16.237 8.942 158 HB2 PRO 24 1HB PRO 24 -2.429 17.899 7.809 159 HB3 PRO 24 2HB PRO 24 -0.686 18.179 7.716 160 HG2 PRO 24 1HG PRO 24 -2.522 16.972 5.682 161 HG3 PRO 24 2HG PRO 24 -1.213 18.146 5.451 162 HD2 PRO 24 1HD PRO 24 -0.915 15.507 4.921 163 HD3 PRO 24 2HD PRO 24 0.422 16.521 5.502 164 H GLU 25 H GLU 25 -2.143 15.776 10.410 165 HA GLU 25 HA GLU 25 -3.985 13.752 10.093 166 HB2 GLU 25 1HB GLU 25 -5.115 14.736 12.133 167 HB3 GLU 25 2HB GLU 25 -3.397 14.401 12.297 168 HG2 GLU 25 1HG GLU 25 -3.091 16.878 11.633 169 HG3 GLU 25 2HG GLU 25 -4.792 17.032 12.071 170 H ASN 26 H ASN 26 -4.446 17.228 9.659 171 HA ASN 26 HA ASN 26 -7.251 16.893 9.014 172 HB2 ASN 26 1HB ASN 26 -5.407 19.193 9.418 173 HB3 ASN 26 2HB ASN 26 -6.804 19.455 8.378 174 HD21 ASN 26 1HD2 ASN 26 -5.745 18.603 11.595 175 HD22 ASN 26 2HD2 ASN 26 -7.236 18.961 12.390 176 H ALA 27 H ALA 27 -5.075 15.680 7.351 177 HA ALA 27 HA ALA 27 -4.780 17.026 4.916 178 HB1 ALA 27 3HB ALA 27 -4.659 14.462 4.120 179 HB2 ALA 27 1HB ALA 27 -3.340 15.288 4.950 180 HB3 ALA 27 2HB ALA 27 -4.442 14.251 5.858 181 HA PRO 28 HA PRO 28 -8.770 16.782 3.068 182 HB2 PRO 28 1HB PRO 28 -8.047 17.012 0.461 183 HB3 PRO 28 2HB PRO 28 -8.015 18.372 1.591 184 HG2 PRO 28 1HG PRO 28 -5.766 16.629 0.661 185 HG3 PRO 28 2HG PRO 28 -5.803 18.389 0.874 186 HD2 PRO 28 1HD PRO 28 -4.688 16.725 2.696 187 HD3 PRO 28 2HD PRO 28 -5.481 18.247 3.151 188 H VAL 29 H VAL 29 -10.021 15.068 2.702 189 HA VAL 29 HA VAL 29 -9.130 12.476 2.327 190 HB VAL 29 HB VAL 29 -11.804 13.620 1.506 191 HG11 VAL 29 1HG1 VAL 29 -11.032 11.300 0.628 192 HG12 VAL 29 2HG1 VAL 29 -11.332 10.772 2.285 193 HG13 VAL 29 3HG1 VAL 29 -12.640 11.471 1.330 194 HG21 VAL 29 3HG2 VAL 29 -12.549 13.328 3.654 195 HG22 VAL 29 1HG2 VAL 29 -11.359 12.077 4.013 196 HG23 VAL 29 2HG2 VAL 29 -10.871 13.771 3.964 197 H GLY 30 H GLY 30 -8.240 11.461 0.659 198 HA2 GLY 30 1HA GLY 30 -8.456 10.726 -1.649 199 HA3 GLY 30 2HA GLY 30 -8.934 12.365 -2.064 200 H THR 31 H THR 31 -6.386 12.154 0.189 201 HA THR 31 HA THR 31 -4.532 13.207 -1.781 202 HB THR 31 HB THR 31 -4.055 12.756 1.169 203 HG1 THR 31 1HG THR 31 -5.822 14.325 0.248 204 HG21 THR 31 3HG2 THR 31 -2.402 14.647 0.758 205 HG22 THR 31 1HG2 THR 31 -2.627 14.332 -0.962 206 HG23 THR 31 2HG2 THR 31 -1.978 13.072 0.087 207 H SER 32 H SER 32 -3.267 11.905 -2.918 208 HA SER 32 HA SER 32 -2.945 9.168 -2.470 209 HB2 SER 32 1HB SER 32 -1.290 9.216 -4.217 210 HB3 SER 32 2HB SER 32 -2.549 10.375 -4.641 211 HG SER 32 HG SER 32 -0.018 10.945 -3.491 212 H VAL 33 H VAL 33 -2.098 8.369 -0.652 213 HA VAL 33 HA VAL 33 0.027 9.684 0.770 214 HB VAL 33 HB VAL 33 -1.179 6.948 1.206 215 HG11 VAL 33 1HG1 VAL 33 0.020 8.303 3.488 216 HG12 VAL 33 2HG1 VAL 33 0.211 6.640 2.928 217 HG13 VAL 33 3HG1 VAL 33 1.183 7.929 2.217 218 HG21 VAL 33 3HG2 VAL 33 -2.957 8.049 1.967 219 HG22 VAL 33 1HG2 VAL 33 -1.934 8.695 3.251 220 HG23 VAL 33 2HG2 VAL 33 -2.153 9.604 1.756 221 H ILE 34 H ILE 34 -0.232 6.421 -0.657 222 HA ILE 34 HA ILE 34 2.518 6.648 -1.609 223 HB ILE 34 HB ILE 34 2.739 5.615 0.598 224 HG12 ILE 34 1HG1 ILE 34 3.779 3.415 -0.195 225 HG13 ILE 34 2HG1 ILE 34 3.213 3.853 -1.803 226 HG21 ILE 34 1HG2 ILE 34 1.695 3.564 1.191 227 HG22 ILE 34 2HG2 ILE 34 0.428 4.637 0.599 228 HG23 ILE 34 3HG2 ILE 34 1.048 3.350 -0.435 229 HD11 ILE 34 3HD1 ILE 34 5.632 4.516 -0.708 230 HD12 ILE 34 1HD1 ILE 34 4.883 5.288 -2.106 231 HD13 ILE 34 2HD1 ILE 34 4.688 5.991 -0.499 232 H GLN 35 H GLN 35 3.002 5.331 -3.364 233 HA GLN 35 HA GLN 35 0.778 3.729 -4.435 234 HB2 GLN 35 1HB GLN 35 0.848 5.846 -5.640 235 HB3 GLN 35 2HB GLN 35 2.560 5.624 -5.976 236 HG2 GLN 35 1HG GLN 35 2.186 4.053 -7.589 237 HG3 GLN 35 2HG GLN 35 0.659 3.530 -6.881 238 HE21 GLN 35 1HE2 GLN 35 -1.067 4.067 -7.990 239 HE22 GLN 35 2HE2 GLN 35 -1.227 5.429 -9.040 240 H LEU 36 H LEU 36 1.325 1.708 -4.911 241 HA LEU 36 HA LEU 36 4.173 1.020 -5.024 242 HB2 LEU 36 1HB LEU 36 1.686 -0.496 -4.357 243 HB3 LEU 36 2HB LEU 36 3.128 -1.363 -4.882 244 HG LEU 36 HG LEU 36 3.159 0.533 -2.548 245 HD11 LEU 36 1HD1 LEU 36 1.999 -2.143 -2.738 246 HD12 LEU 36 2HD1 LEU 36 1.792 -0.898 -1.507 247 HD13 LEU 36 3HD1 LEU 36 3.195 -1.965 -1.454 248 HD21 LEU 36 3HD2 LEU 36 4.925 -1.747 -2.477 249 HD22 LEU 36 1HD2 LEU 36 5.303 -0.027 -2.378 250 HD23 LEU 36 2HD2 LEU 36 5.157 -0.808 -3.953 251 H HIS 37 H HIS 37 5.110 0.413 -6.863 252 HA HIS 37 HA HIS 37 3.378 -0.184 -9.170 253 HB2 HIS 37 1HB HIS 37 4.614 1.834 -9.571 254 HB3 HIS 37 2HB HIS 37 6.118 1.082 -9.048 255 HD1 HIS 37 1HD HIS 37 3.761 1.260 -11.947 256 HD2 HIS 37 2HD HIS 37 7.392 -0.506 -10.963 257 HE1 HIS 37 1HE HIS 37 4.698 0.396 -14.115 258 HE2 HIS 37 2HE HIS 37 6.854 -0.743 -13.482 259 H ALA 38 H ALA 38 3.267 -2.335 -9.368 260 HA ALA 38 HA ALA 38 5.803 -3.828 -9.451 261 HB1 ALA 38 3HB ALA 38 4.031 -4.124 -7.424 262 HB2 ALA 38 1HB ALA 38 3.456 -5.352 -8.553 263 HB3 ALA 38 2HB ALA 38 5.125 -5.389 -7.982 264 H THR 39 H THR 39 6.021 -4.178 -11.584 265 HA THR 39 HA THR 39 3.760 -5.446 -12.989 266 HB THR 39 HB THR 39 4.705 -4.447 -15.099 267 HG1 THR 39 1HG THR 39 5.983 -2.515 -13.510 268 HG21 THR 39 3HG2 THR 39 2.733 -3.517 -13.904 269 HG22 THR 39 1HG2 THR 39 3.649 -2.300 -14.792 270 HG23 THR 39 2HG2 THR 39 3.816 -2.426 -13.040 271 H ASP 40 H ASP 40 4.231 -7.131 -14.398 272 HA ASP 40 HA ASP 40 7.017 -8.046 -14.508 273 HB2 ASP 40 1HB ASP 40 4.678 -9.485 -13.356 274 HB3 ASP 40 2HB ASP 40 5.835 -10.430 -14.290 275 H ALA 41 H ALA 41 7.533 -9.357 -16.300 276 HA ALA 41 HA ALA 41 6.580 -8.671 -18.737 277 HB1 ALA 41 3HB ALA 41 7.356 -11.523 -18.403 278 HB2 ALA 41 1HB ALA 41 7.854 -10.350 -19.623 279 HB3 ALA 41 2HB ALA 41 8.534 -10.275 -17.997 280 H ASP 42 H ASP 42 4.593 -8.704 -19.541 281 HA ASP 42 HA ASP 42 2.640 -10.631 -18.615 282 HB2 ASP 42 1HB ASP 42 2.299 -8.089 -19.188 283 HB3 ASP 42 2HB ASP 42 2.106 -8.691 -20.832 284 H ILE 43 H ILE 43 4.873 -11.676 -20.104 285 HA ILE 43 HA ILE 43 3.593 -12.537 -22.606 286 HB ILE 43 HB ILE 43 5.748 -13.185 -23.410 287 HG12 ILE 43 1HG1 ILE 43 7.717 -12.490 -21.715 288 HG13 ILE 43 2HG1 ILE 43 6.488 -12.952 -20.543 289 HG21 ILE 43 1HG2 ILE 43 6.401 -10.603 -22.069 290 HG22 ILE 43 2HG2 ILE 43 6.663 -11.102 -23.740 291 HG23 ILE 43 3HG2 ILE 43 5.041 -10.678 -23.190 292 HD11 ILE 43 3HD1 ILE 43 7.095 -15.056 -20.818 293 HD12 ILE 43 1HD1 ILE 43 6.520 -14.975 -22.483 294 HD13 ILE 43 2HD1 ILE 43 8.205 -14.606 -22.112 295 H GLY 44 H GLY 44 2.633 -14.454 -22.599 296 HA2 GLY 44 1HA GLY 44 3.141 -16.892 -22.367 297 HA3 GLY 44 2HA GLY 44 3.640 -16.508 -20.726 298 H SER 45 H SER 45 1.932 -15.504 -19.330 299 HA SER 45 HA SER 45 -0.776 -16.360 -20.057 300 HB2 SER 45 1HB SER 45 0.350 -18.154 -18.696 301 HB3 SER 45 2HB SER 45 0.467 -16.994 -17.373 302 HG SER 45 HG SER 45 -1.564 -17.311 -16.947 303 H ASN 46 H ASN 46 -2.110 -14.707 -19.805 304 HA ASN 46 HA ASN 46 -1.395 -12.300 -18.530 305 HB2 ASN 46 1HB ASN 46 -3.122 -12.648 -20.380 306 HB3 ASN 46 2HB ASN 46 -4.228 -13.161 -19.108 307 HD21 ASN 46 1HD2 ASN 46 -2.518 -10.506 -20.524 308 HD22 ASN 46 2HD2 ASN 46 -3.334 -9.251 -19.662 309 H ALA 47 H ALA 47 -1.305 -11.854 -16.438 310 HA ALA 47 HA ALA 47 -3.131 -13.277 -14.613 311 HB1 ALA 47 3HB ALA 47 -0.210 -12.895 -14.482 312 HB2 ALA 47 1HB ALA 47 -1.091 -12.666 -12.971 313 HB3 ALA 47 2HB ALA 47 -1.218 -14.194 -13.843 314 H GLU 48 H GLU 48 -4.169 -12.089 -13.073 315 HA GLU 48 HA GLU 48 -3.840 -9.175 -13.259 316 HB2 GLU 48 1HB GLU 48 -6.173 -10.927 -12.539 317 HB3 GLU 48 2HB GLU 48 -6.142 -9.231 -12.078 318 HG2 GLU 48 1HG GLU 48 -7.369 -9.463 -14.116 319 HG3 GLU 48 2HG GLU 48 -5.855 -8.627 -14.454 320 H ILE 49 H ILE 49 -2.212 -8.817 -11.787 321 HA ILE 49 HA ILE 49 -2.017 -10.007 -9.246 322 HB ILE 49 HB ILE 49 -0.945 -7.335 -10.161 323 HG12 ILE 49 1HG1 ILE 49 0.514 -9.971 -9.966 324 HG13 ILE 49 2HG1 ILE 49 -0.250 -9.413 -11.450 325 HG21 ILE 49 1HG2 ILE 49 -1.124 -8.130 -7.596 326 HG22 ILE 49 2HG2 ILE 49 0.418 -8.860 -8.039 327 HG23 ILE 49 3HG2 ILE 49 0.183 -7.121 -8.218 328 HD11 ILE 49 3HD1 ILE 49 1.689 -7.633 -10.065 329 HD12 ILE 49 1HD1 ILE 49 2.286 -8.997 -11.010 330 HD13 ILE 49 2HD1 ILE 49 1.294 -7.757 -11.779 331 H ARG 50 H ARG 50 -3.150 -9.705 -7.450 332 HA ARG 50 HA ARG 50 -4.841 -7.305 -7.249 333 HB2 ARG 50 1HB ARG 50 -5.775 -9.762 -7.228 334 HB3 ARG 50 2HB ARG 50 -5.254 -9.732 -5.549 335 HG2 ARG 50 1HG ARG 50 -7.533 -9.128 -5.558 336 HG3 ARG 50 2HG ARG 50 -6.626 -7.641 -5.275 337 HD2 ARG 50 1HD ARG 50 -8.283 -7.090 -6.860 338 HD3 ARG 50 2HD ARG 50 -6.779 -7.236 -7.769 339 HE ARG 50 HE ARG 50 -8.404 -9.628 -7.670 340 HH11 ARG 50 1HH1 ARG 50 -7.608 -6.711 -9.397 341 HH12 ARG 50 2HH1 ARG 50 -8.213 -7.289 -10.914 342 HH21 ARG 50 1HH2 ARG 50 -9.204 -10.400 -9.662 343 HH22 ARG 50 2HH2 ARG 50 -9.121 -9.387 -11.063 344 H TYR 51 H TYR 51 -4.228 -5.816 -5.839 345 HA TYR 51 HA TYR 51 -2.286 -6.506 -3.773 346 HB2 TYR 51 1HB TYR 51 -3.323 -3.789 -4.604 347 HB3 TYR 51 2HB TYR 51 -1.969 -4.101 -3.524 348 HD1 TYR 51 1HD TYR 51 -3.129 -4.510 -7.025 349 HD2 TYR 51 2HD TYR 51 0.200 -4.435 -4.376 350 HE1 TYR 51 1HE TYR 51 -1.602 -4.516 -8.953 351 HE2 TYR 51 2HE TYR 51 1.736 -4.441 -6.297 352 HH TYR 51 HH TYR 51 0.518 -4.639 -9.623 353 H ILE 52 H ILE 52 -2.909 -6.922 -1.770 354 HA ILE 52 HA ILE 52 -5.264 -5.543 -0.689 355 HB ILE 52 HB ILE 52 -6.172 -7.512 0.281 356 HG12 ILE 52 1HG1 ILE 52 -3.910 -8.534 0.779 357 HG13 ILE 52 2HG1 ILE 52 -5.149 -9.667 0.250 358 HG21 ILE 52 1HG2 ILE 52 -7.041 -7.419 -1.843 359 HG22 ILE 52 2HG2 ILE 52 -5.479 -7.692 -2.611 360 HG23 ILE 52 3HG2 ILE 52 -6.331 -9.033 -1.845 361 HD11 ILE 52 3HD1 ILE 52 -4.119 -9.258 -2.104 362 HD12 ILE 52 1HD1 ILE 52 -2.719 -8.712 -1.180 363 HD13 ILE 52 2HD1 ILE 52 -3.333 -10.352 -0.966 364 H PHE 53 H PHE 53 -5.399 -5.813 1.732 365 HA PHE 53 HA PHE 53 -2.944 -5.004 2.894 366 HB2 PHE 53 1HB PHE 53 -5.585 -5.776 4.145 367 HB3 PHE 53 2HB PHE 53 -4.229 -5.110 5.049 368 HD1 PHE 53 2HD PHE 53 -3.275 -2.850 4.070 369 HD2 PHE 53 1HD PHE 53 -7.203 -4.339 3.387 370 HE1 PHE 53 2HE PHE 53 -4.043 -0.573 3.543 371 HE2 PHE 53 1HE PHE 53 -7.978 -2.064 2.859 372 HZ PHE 53 HZ PHE 53 -6.397 -0.177 2.938 373 H GLY 54 H GLY 54 -1.636 -6.041 4.419 374 HA2 GLY 54 1HA GLY 54 -1.197 -8.799 3.981 375 HA3 GLY 54 2HA GLY 54 -0.439 -7.824 5.232 376 H ALA 55 H ALA 55 -0.588 -9.619 6.661 377 HA ALA 55 HA ALA 55 -3.298 -10.351 7.511 378 HB1 ALA 55 3HB ALA 55 -0.800 -11.652 8.527 379 HB2 ALA 55 1HB ALA 55 -2.430 -12.314 8.398 380 HB3 ALA 55 2HB ALA 55 -1.460 -12.070 6.945 381 H GLN 56 H GLN 56 -3.812 -10.420 9.781 382 HA GLN 56 HA GLN 56 -3.984 -9.490 11.849 383 HB2 GLN 56 1HB GLN 56 -0.998 -9.098 11.587 384 HB3 GLN 56 2HB GLN 56 -1.922 -9.055 13.083 385 HG2 GLN 56 1HG GLN 56 -2.064 -11.500 11.403 386 HG3 GLN 56 2HG GLN 56 -0.601 -11.200 12.339 387 HE21 GLN 56 1HE2 GLN 56 -0.589 -12.112 14.252 388 HE22 GLN 56 2HE2 GLN 56 -1.969 -12.450 15.235 389 H VAL 57 H VAL 57 -4.578 -7.819 9.713 390 HA VAL 57 HA VAL 57 -3.410 -5.223 10.423 391 HB VAL 57 HB VAL 57 -5.218 -5.899 8.099 392 HG11 VAL 57 1HG1 VAL 57 -5.148 -3.739 7.486 393 HG12 VAL 57 2HG1 VAL 57 -4.758 -3.452 9.183 394 HG13 VAL 57 3HG1 VAL 57 -3.467 -3.546 7.984 395 HG21 VAL 57 3HG2 VAL 57 -3.320 -6.053 6.720 396 HG22 VAL 57 1HG2 VAL 57 -2.262 -5.380 7.960 397 HG23 VAL 57 2HG2 VAL 57 -2.920 -7.005 8.150 398 H ALA 58 H ALA 58 -4.527 -3.719 11.499 399 HA ALA 58 HA ALA 58 -7.084 -4.358 12.605 400 HB1 ALA 58 3HB ALA 58 -5.975 -1.599 12.753 401 HB2 ALA 58 1HB ALA 58 -6.786 -2.559 13.990 402 HB3 ALA 58 2HB ALA 58 -5.111 -2.907 13.561 403 HA PRO 59 HA PRO 59 -9.771 -2.579 9.617 404 HB2 PRO 59 1HB PRO 59 -11.846 -1.853 11.210 405 HB3 PRO 59 2HB PRO 59 -11.494 -3.535 10.798 406 HG2 PRO 59 1HG PRO 59 -10.811 -2.011 13.282 407 HG3 PRO 59 2HG PRO 59 -11.431 -3.664 13.119 408 HD2 PRO 59 1HD PRO 59 -8.815 -3.126 13.564 409 HD3 PRO 59 2HD PRO 59 -9.354 -4.527 12.617 410 H ALA 60 H ALA 60 -9.616 -0.662 12.625 411 HA ALA 60 HA ALA 60 -10.471 1.767 11.812 412 HB1 ALA 60 3HB ALA 60 -9.817 2.149 13.902 413 HB2 ALA 60 1HB ALA 60 -8.666 0.813 13.853 414 HB3 ALA 60 2HB ALA 60 -8.190 2.410 13.271 415 H THR 61 H THR 61 -7.189 0.504 11.297 416 HA THR 61 HA THR 61 -6.095 2.737 10.039 417 HB THR 61 HB THR 61 -5.449 -0.172 9.520 418 HG1 THR 61 1HG THR 61 -4.625 1.702 11.469 419 HG21 THR 61 3HG2 THR 61 -4.275 0.788 7.827 420 HG22 THR 61 1HG2 THR 61 -3.132 1.119 9.127 421 HG23 THR 61 2HG2 THR 61 -4.251 2.374 8.596 422 H LYS 62 H LYS 62 -7.787 -0.050 8.633 423 HA LYS 62 HA LYS 62 -7.510 0.650 5.942 424 HB2 LYS 62 1HB LYS 62 -9.808 -0.808 7.260 425 HB3 LYS 62 2HB LYS 62 -9.441 -0.814 5.540 426 HG2 LYS 62 1HG LYS 62 -7.228 -1.839 6.109 427 HG3 LYS 62 2HG LYS 62 -7.809 -2.005 7.768 428 HD2 LYS 62 1HD LYS 62 -9.794 -3.254 6.780 429 HD3 LYS 62 2HD LYS 62 -8.872 -3.314 5.277 430 HE2 LYS 62 1HE LYS 62 -8.471 -5.354 6.434 431 HE3 LYS 62 2HE LYS 62 -7.009 -4.379 6.573 432 HZ1 LYS 62 3HZ LYS 62 -9.034 -4.227 8.695 433 HZ2 LYS 62 1HZ LYS 62 -7.360 -4.002 8.790 434 HZ3 LYS 62 2HZ LYS 62 -7.996 -5.562 8.648 435 H ARG 63 H ARG 63 -10.406 1.112 7.980 436 HA ARG 63 HA ARG 63 -12.017 2.542 6.380 437 HB2 ARG 63 1HB ARG 63 -12.300 1.987 8.869 438 HB3 ARG 63 2HB ARG 63 -11.487 3.515 9.180 439 HG2 ARG 63 1HG ARG 63 -13.230 4.763 8.239 440 HG3 ARG 63 2HG ARG 63 -13.924 3.350 7.442 441 HD2 ARG 63 1HD ARG 63 -14.292 2.424 9.792 442 HD3 ARG 63 2HD ARG 63 -13.953 4.058 10.361 443 HE ARG 63 HE ARG 63 -15.901 4.277 8.403 444 HH11 ARG 63 1HH1 ARG 63 -15.544 2.796 11.533 445 HH12 ARG 63 2HH1 ARG 63 -17.225 2.928 11.932 446 HH21 ARG 63 1HH2 ARG 63 -18.116 4.458 8.917 447 HH22 ARG 63 2HH2 ARG 63 -18.687 3.873 10.443 448 H LEU 64 H LEU 64 -9.307 3.941 8.208 449 HA LEU 64 HA LEU 64 -9.661 6.577 7.239 450 HB2 LEU 64 1HB LEU 64 -7.513 5.098 8.666 451 HB3 LEU 64 2HB LEU 64 -7.099 6.632 7.904 452 HG LEU 64 HG LEU 64 -8.731 7.788 9.273 453 HD11 LEU 64 1HD1 LEU 64 -9.352 5.049 10.362 454 HD12 LEU 64 2HD1 LEU 64 -10.438 6.120 9.478 455 HD13 LEU 64 3HD1 LEU 64 -9.890 6.560 11.095 456 HD21 LEU 64 3HD2 LEU 64 -6.695 6.055 10.606 457 HD22 LEU 64 1HD2 LEU 64 -7.740 7.092 11.577 458 HD23 LEU 64 2HD2 LEU 64 -6.691 7.801 10.349 459 H PHE 65 H PHE 65 -7.181 4.144 6.416 460 HA PHE 65 HA PHE 65 -6.758 5.552 3.872 461 HB2 PHE 65 1HB PHE 65 -4.996 3.493 5.218 462 HB3 PHE 65 2HB PHE 65 -4.607 4.404 3.762 463 HD1 PHE 65 1HD PHE 65 -4.189 6.835 3.902 464 HD2 PHE 65 2HD PHE 65 -4.717 4.431 7.375 465 HE1 PHE 65 1HE PHE 65 -3.183 8.609 5.279 466 HE2 PHE 65 2HE PHE 65 -3.713 6.202 8.757 467 HZ PHE 65 HZ PHE 65 -2.945 8.294 7.710 468 H ALA 66 H ALA 66 -7.556 4.693 2.079 469 HA ALA 66 HA ALA 66 -8.445 1.900 2.119 470 HB1 ALA 66 3HB ALA 66 -10.145 3.522 1.530 471 HB2 ALA 66 1HB ALA 66 -9.132 4.146 0.227 472 HB3 ALA 66 2HB ALA 66 -9.774 2.505 0.137 473 H LEU 67 H LEU 67 -7.708 0.387 0.697 474 HA LEU 67 HA LEU 67 -5.474 1.205 -1.040 475 HB2 LEU 67 1HB LEU 67 -4.681 -0.211 0.710 476 HB3 LEU 67 2HB LEU 67 -5.980 -1.370 0.435 477 HG LEU 67 HG LEU 67 -4.960 -1.872 -1.789 478 HD11 LEU 67 1HD1 LEU 67 -2.934 -1.015 -2.465 479 HD12 LEU 67 2HD1 LEU 67 -2.462 -0.549 -0.831 480 HD13 LEU 67 3HD1 LEU 67 -3.674 0.392 -1.700 481 HD21 LEU 67 3HD2 LEU 67 -4.472 -3.497 -0.236 482 HD22 LEU 67 1HD2 LEU 67 -3.588 -2.385 0.811 483 HD23 LEU 67 2HD2 LEU 67 -2.853 -2.959 -0.687 484 H ASN 68 H ASN 68 -5.528 0.696 -3.158 485 HA ASN 68 HA ASN 68 -7.944 -0.642 -4.141 486 HB2 ASN 68 1HB ASN 68 -6.014 1.313 -5.351 487 HB3 ASN 68 2HB ASN 68 -7.032 0.318 -6.388 488 HD21 ASN 68 1HD2 ASN 68 -7.555 2.732 -6.844 489 HD22 ASN 68 2HD2 ASN 68 -8.939 3.342 -6.008 490 H ASN 69 H ASN 69 -7.872 -2.391 -5.518 491 HA ASN 69 HA ASN 69 -5.326 -3.839 -5.549 492 HB2 ASN 69 1HB ASN 69 -8.135 -4.808 -6.129 493 HB3 ASN 69 2HB ASN 69 -6.693 -5.819 -6.095 494 HD21 ASN 69 1HD2 ASN 69 -7.560 -3.179 -3.929 495 HD22 ASN 69 2HD2 ASN 69 -7.657 -4.144 -2.499 496 H THR 70 H THR 70 -7.059 -1.835 -7.522 497 HA THR 70 HA THR 70 -6.213 -3.193 -9.988 498 HB THR 70 HB THR 70 -7.711 -1.630 -11.173 499 HG1 THR 70 1HG THR 70 -8.538 -0.799 -8.575 500 HG21 THR 70 3HG2 THR 70 -9.498 -2.965 -10.845 501 HG22 THR 70 1HG2 THR 70 -9.539 -2.653 -9.110 502 HG23 THR 70 2HG2 THR 70 -8.419 -3.847 -9.765 503 H THR 71 H THR 71 -5.665 -0.418 -8.001 504 HA THR 71 HA THR 71 -3.740 0.601 -9.989 505 HB THR 71 HB THR 71 -4.077 2.858 -9.070 506 HG1 THR 71 1HG THR 71 -4.876 2.040 -6.979 507 HG21 THR 71 3HG2 THR 71 -5.640 3.172 -10.628 508 HG22 THR 71 1HG2 THR 71 -6.857 2.372 -9.634 509 HG23 THR 71 2HG2 THR 71 -5.839 1.422 -10.716 510 H GLY 72 H GLY 72 -4.233 -0.620 -6.860 511 HA2 GLY 72 1HA GLY 72 -2.848 -0.911 -5.052 512 HA3 GLY 72 2HA GLY 72 -1.538 -0.817 -6.219 513 H LEU 73 H LEU 73 -3.842 1.724 -5.363 514 HA LEU 73 HA LEU 73 -1.589 3.280 -4.275 515 HB2 LEU 73 1HB LEU 73 -2.117 4.314 -6.306 516 HB3 LEU 73 2HB LEU 73 -3.850 4.100 -6.065 517 HG LEU 73 HG LEU 73 -3.614 5.771 -4.147 518 HD11 LEU 73 1HD1 LEU 73 -1.085 6.504 -5.600 519 HD12 LEU 73 2HD1 LEU 73 -1.108 5.577 -4.101 520 HD13 LEU 73 3HD1 LEU 73 -1.742 7.222 -4.129 521 HD21 LEU 73 3HD2 LEU 73 -4.315 6.074 -6.719 522 HD22 LEU 73 1HD2 LEU 73 -2.946 7.184 -6.651 523 HD23 LEU 73 2HD2 LEU 73 -4.309 7.398 -5.553 524 H ILE 74 H ILE 74 -1.820 3.999 -2.260 525 HA ILE 74 HA ILE 74 -4.395 3.622 -0.933 526 HB ILE 74 HB ILE 74 -1.709 4.316 0.263 527 HG12 ILE 74 1HG1 ILE 74 -3.135 1.661 0.385 528 HG13 ILE 74 2HG1 ILE 74 -1.963 2.040 -0.872 529 HG21 ILE 74 1HG2 ILE 74 -4.422 4.058 1.365 530 HG22 ILE 74 2HG2 ILE 74 -3.160 3.214 2.262 531 HG23 ILE 74 3HG2 ILE 74 -3.026 4.948 1.974 532 HD11 ILE 74 3HD1 ILE 74 -0.197 2.139 0.647 533 HD12 ILE 74 1HD1 ILE 74 -1.278 2.280 2.033 534 HD13 ILE 74 2HD1 ILE 74 -1.150 0.749 1.165 535 H THR 75 H THR 75 -5.724 5.257 -0.541 536 HA THR 75 HA THR 75 -4.616 7.985 -0.429 537 HB THR 75 HB THR 75 -6.848 8.739 -1.384 538 HG1 THR 75 1HG THR 75 -8.159 7.013 -1.355 539 HG21 THR 75 3HG2 THR 75 -5.015 8.949 -2.824 540 HG22 THR 75 1HG2 THR 75 -6.172 8.002 -3.757 541 HG23 THR 75 2HG2 THR 75 -4.811 7.204 -2.969 542 H VAL 76 H VAL 76 -5.935 9.524 0.787 543 HA VAL 76 HA VAL 76 -6.772 8.426 3.283 544 HB VAL 76 HB VAL 76 -7.015 11.244 2.223 545 HG11 VAL 76 1HG1 VAL 76 -7.210 11.818 4.667 546 HG12 VAL 76 2HG1 VAL 76 -8.611 11.006 3.965 547 HG13 VAL 76 3HG1 VAL 76 -7.477 10.102 4.969 548 HG21 VAL 76 3HG2 VAL 76 -5.069 10.429 4.319 549 HG22 VAL 76 1HG2 VAL 76 -4.715 10.019 2.641 550 HG23 VAL 76 2HG2 VAL 76 -4.955 11.703 3.105 551 H GLN 77 H GLN 77 -8.618 7.296 3.363 552 HA GLN 77 HA GLN 77 -10.904 7.989 1.756 553 HB2 GLN 77 1HB GLN 77 -10.200 5.632 2.415 554 HB3 GLN 77 2HB GLN 77 -10.831 5.995 4.016 555 HG2 GLN 77 1HG GLN 77 -13.030 6.495 2.956 556 HG3 GLN 77 2HG GLN 77 -12.362 5.918 1.429 557 HE21 GLN 77 1HE2 GLN 77 -13.484 5.039 4.586 558 HE22 GLN 77 2HE2 GLN 77 -13.536 3.333 4.320 559 H ARG 78 H ARG 78 -10.072 8.080 5.201 560 HA ARG 78 HA ARG 78 -12.201 10.062 5.585 561 HB2 ARG 78 1HB ARG 78 -11.805 7.501 7.083 562 HB3 ARG 78 2HB ARG 78 -12.453 8.902 7.926 563 HG2 ARG 78 1HG ARG 78 -14.223 9.033 6.159 564 HG3 ARG 78 2HG ARG 78 -13.631 7.485 5.552 565 HD2 ARG 78 1HD ARG 78 -13.983 6.587 7.893 566 HD3 ARG 78 2HD ARG 78 -14.850 8.084 8.236 567 HE ARG 78 HE ARG 78 -15.761 5.873 6.613 568 HH11 ARG 78 1HH1 ARG 78 -16.169 9.226 7.454 569 HH12 ARG 78 2HH1 ARG 78 -17.813 9.298 6.911 570 HH21 ARG 78 1HH2 ARG 78 -17.925 5.954 5.895 571 HH22 ARG 78 2HH2 ARG 78 -18.811 7.435 6.025 572 H SER 79 H SER 79 -11.935 11.279 7.647 573 HA SER 79 HA SER 79 -9.503 12.536 7.821 574 HB2 SER 79 1HB SER 79 -11.736 13.228 8.863 575 HB3 SER 79 2HB SER 79 -11.296 12.197 10.225 576 HG SER 79 HG SER 79 -9.674 13.533 10.738 577 H LEU 80 H LEU 80 -7.800 12.500 9.378 578 HA LEU 80 HA LEU 80 -7.308 9.806 10.454 579 HB2 LEU 80 1HB LEU 80 -5.237 11.924 9.949 580 HB3 LEU 80 2HB LEU 80 -4.987 10.201 10.221 581 HG LEU 80 HG LEU 80 -6.521 11.060 7.815 582 HD11 LEU 80 1HD1 LEU 80 -4.009 12.133 8.347 583 HD12 LEU 80 2HD1 LEU 80 -4.829 12.065 6.787 584 HD13 LEU 80 3HD1 LEU 80 -3.706 10.785 7.250 585 HD21 LEU 80 3HD2 LEU 80 -4.771 8.766 8.623 586 HD22 LEU 80 1HD2 LEU 80 -5.124 9.089 6.925 587 HD23 LEU 80 2HD2 LEU 80 -6.439 8.747 8.050 588 H ASP 81 H ASP 81 -6.667 9.524 12.559 589 HA ASP 81 HA ASP 81 -6.879 11.901 14.286 590 HB2 ASP 81 1HB ASP 81 -7.378 9.018 15.052 591 HB3 ASP 81 2HB ASP 81 -7.663 10.440 16.053 592 H ARG 82 H ARG 82 -5.052 12.553 15.189 593 HA ARG 82 HA ARG 82 -2.711 10.860 15.163 594 HB2 ARG 82 1HB ARG 82 -2.917 13.459 14.757 595 HB3 ARG 82 2HB ARG 82 -2.761 13.528 16.508 596 HG2 ARG 82 1HG ARG 82 -0.798 12.039 14.798 597 HG3 ARG 82 2HG ARG 82 -0.639 13.765 15.132 598 HD2 ARG 82 1HD ARG 82 -0.975 11.760 17.339 599 HD3 ARG 82 2HD ARG 82 0.610 12.114 16.651 600 HE ARG 82 HE ARG 82 -0.887 14.428 17.516 601 HH11 ARG 82 1HH1 ARG 82 1.427 11.976 18.384 602 HH12 ARG 82 2HH1 ARG 82 2.113 12.897 19.681 603 HH21 ARG 82 1HH2 ARG 82 0.008 15.651 19.221 604 HH22 ARG 82 2HH2 ARG 82 1.304 14.988 20.156 605 H GLU 83 H GLU 83 -4.605 12.563 17.654 606 HA GLU 83 HA GLU 83 -3.312 11.879 19.931 607 HB2 GLU 83 1HB GLU 83 -6.302 11.797 19.494 608 HB3 GLU 83 2HB GLU 83 -5.518 11.842 21.067 609 HG2 GLU 83 1HG GLU 83 -4.404 14.002 20.168 610 HG3 GLU 83 2HG GLU 83 -5.719 13.980 18.995 611 H GLU 84 H GLU 84 -5.625 9.808 18.202 612 HA GLU 84 HA GLU 84 -5.384 7.617 19.992 613 HB2 GLU 84 1HB GLU 84 -7.213 8.166 18.198 614 HB3 GLU 84 2HB GLU 84 -6.157 7.265 17.120 615 HG2 GLU 84 1HG GLU 84 -7.934 5.876 18.074 616 HG3 GLU 84 2HG GLU 84 -6.325 5.309 18.516 617 H THR 85 H THR 85 -4.261 7.896 16.616 618 HA THR 85 HA THR 85 -1.899 6.306 17.361 619 HB THR 85 HB THR 85 -3.511 4.851 16.185 620 HG1 THR 85 1HG THR 85 -1.049 4.924 15.816 621 HG21 THR 85 3HG2 THR 85 -4.491 6.739 14.812 622 HG22 THR 85 1HG2 THR 85 -4.185 5.237 13.941 623 HG23 THR 85 2HG2 THR 85 -3.077 6.598 13.768 624 H ALA 86 H ALA 86 -0.027 7.178 16.748 625 HA ALA 86 HA ALA 86 -0.064 9.586 15.120 626 HB1 ALA 86 3HB ALA 86 1.279 9.901 16.977 627 HB2 ALA 86 1HB ALA 86 1.962 8.277 16.888 628 HB3 ALA 86 2HB ALA 86 2.457 9.508 15.725 629 H ILE 87 H ILE 87 1.545 6.413 15.096 630 HA ILE 87 HA ILE 87 2.244 6.865 12.273 631 HB ILE 87 HB ILE 87 3.417 4.913 14.257 632 HG12 ILE 87 1HG1 ILE 87 4.970 7.053 12.865 633 HG13 ILE 87 2HG1 ILE 87 3.947 7.508 14.223 634 HG21 ILE 87 1HG2 ILE 87 3.785 3.721 12.373 635 HG22 ILE 87 2HG2 ILE 87 3.606 5.123 11.320 636 HG23 ILE 87 3HG2 ILE 87 5.120 4.857 12.184 637 HD11 ILE 87 3HD1 ILE 87 5.163 6.141 15.712 638 HD12 ILE 87 1HD1 ILE 87 6.013 5.337 14.393 639 HD13 ILE 87 2HD1 ILE 87 6.352 7.028 14.760 640 H HIS 88 H HIS 88 1.425 5.595 10.713 641 HA HIS 88 HA HIS 88 -0.336 3.390 11.553 642 HB2 HIS 88 1HB HIS 88 -0.515 5.418 9.375 643 HB3 HIS 88 2HB HIS 88 -1.199 3.823 9.076 644 HD1 HIS 88 1HD HIS 88 -3.002 3.041 10.990 645 HD2 HIS 88 2HD HIS 88 -2.189 7.103 10.679 646 HE1 HIS 88 1HE HIS 88 -4.912 4.199 12.144 647 HE2 HIS 88 2HE HIS 88 -4.442 6.658 11.869 648 H LYS 89 H LYS 89 0.472 1.439 11.208 649 HA LYS 89 HA LYS 89 2.455 1.066 9.078 650 HB2 LYS 89 1HB LYS 89 1.767 -0.582 11.512 651 HB3 LYS 89 2HB LYS 89 2.870 -1.134 10.258 652 HG2 LYS 89 1HG LYS 89 3.367 1.508 11.532 653 HG3 LYS 89 2HG LYS 89 3.753 0.038 12.431 654 HD2 LYS 89 1HD LYS 89 5.058 -0.713 10.405 655 HD3 LYS 89 2HD LYS 89 4.840 0.916 9.762 656 HE2 LYS 89 1HE LYS 89 6.885 1.110 10.798 657 HE3 LYS 89 2HE LYS 89 5.799 1.646 12.078 658 HZ1 LYS 89 3HZ LYS 89 7.657 -0.367 12.240 659 HZ2 LYS 89 1HZ LYS 89 6.172 -1.173 12.149 660 HZ3 LYS 89 2HZ LYS 89 6.440 -0.027 13.364 661 H VAL 90 H VAL 90 1.558 0.493 7.204 662 HA VAL 90 HA VAL 90 -0.522 -1.596 7.246 663 HB VAL 90 HB VAL 90 -0.249 0.645 5.238 664 HG11 VAL 90 1HG1 VAL 90 -1.417 -1.888 4.962 665 HG12 VAL 90 2HG1 VAL 90 -2.754 -0.757 5.186 666 HG13 VAL 90 3HG1 VAL 90 -1.588 -0.501 3.886 667 HG21 VAL 90 3HG2 VAL 90 -2.292 0.181 7.408 668 HG22 VAL 90 1HG2 VAL 90 -1.087 1.468 7.356 669 HG23 VAL 90 2HG2 VAL 90 -2.392 1.432 6.170 670 H THR 91 H THR 91 -0.034 -3.412 6.204 671 HA THR 91 HA THR 91 2.303 -3.407 4.418 672 HB THR 91 HB THR 91 1.050 -5.824 5.722 673 HG1 THR 91 1HG THR 91 3.162 -4.137 6.622 674 HG21 THR 91 3HG2 THR 91 2.414 -6.390 3.829 675 HG22 THR 91 1HG2 THR 91 3.318 -6.785 5.290 676 HG23 THR 91 2HG2 THR 91 3.706 -5.325 4.380 677 H VAL 92 H VAL 92 2.096 -3.929 2.327 678 HA VAL 92 HA VAL 92 -0.564 -4.761 1.388 679 HB VAL 92 HB VAL 92 1.675 -3.433 -0.146 680 HG11 VAL 92 1HG1 VAL 92 0.459 -4.808 -1.655 681 HG12 VAL 92 2HG1 VAL 92 -1.087 -4.300 -0.974 682 HG13 VAL 92 3HG1 VAL 92 -0.109 -3.156 -1.894 683 HG21 VAL 92 3HG2 VAL 92 -0.565 -2.407 1.426 684 HG22 VAL 92 1HG2 VAL 92 0.897 -1.594 0.868 685 HG23 VAL 92 2HG2 VAL 92 -0.488 -1.756 -0.211 686 H LEU 93 H LEU 93 -0.807 -6.472 -0.031 687 HA LEU 93 HA LEU 93 1.559 -8.203 -0.339 688 HB2 LEU 93 1HB LEU 93 -1.291 -8.803 0.301 689 HB3 LEU 93 2HB LEU 93 -0.341 -9.997 -0.581 690 HG LEU 93 HG LEU 93 0.190 -8.933 2.190 691 HD11 LEU 93 1HD1 LEU 93 -0.126 -11.292 2.823 692 HD12 LEU 93 2HD1 LEU 93 -0.562 -11.663 1.155 693 HD13 LEU 93 3HD1 LEU 93 -1.575 -10.581 2.111 694 HD21 LEU 93 3HD2 LEU 93 2.344 -9.308 1.694 695 HD22 LEU 93 1HD2 LEU 93 1.953 -10.229 0.242 696 HD23 LEU 93 2HD2 LEU 93 1.910 -11.013 1.821 697 H ALA 94 H ALA 94 2.107 -8.852 -2.333 698 HA ALA 94 HA ALA 94 0.246 -8.231 -4.534 699 HB1 ALA 94 3HB ALA 94 2.165 -7.763 -5.945 700 HB2 ALA 94 1HB ALA 94 2.198 -6.744 -4.506 701 HB3 ALA 94 2HB ALA 94 3.259 -8.148 -4.617 702 H SER 95 H SER 95 -0.507 -9.986 -5.502 703 HA SER 95 HA SER 95 1.210 -12.380 -5.615 704 HB2 SER 95 1HB SER 95 -0.732 -12.729 -4.155 705 HB3 SER 95 2HB SER 95 -1.813 -12.252 -5.464 706 HG SER 95 HG SER 95 -0.000 -14.314 -5.959 707 H ASP 96 H ASP 96 1.605 -13.255 -7.558 708 HA ASP 96 HA ASP 96 0.237 -12.068 -9.879 709 HB2 ASP 96 1HB ASP 96 2.225 -12.606 -11.179 710 HB3 ASP 96 2HB ASP 96 2.671 -11.654 -9.766 711 H GLY 97 H GLY 97 1.665 -15.124 -8.730 712 HA2 GLY 97 1HA GLY 97 -0.566 -16.643 -9.674 713 HA3 GLY 97 2HA GLY 97 0.830 -16.825 -10.725 714 H SER 98 H SER 98 1.937 -18.604 -10.312 715 HA SER 98 HA SER 98 1.699 -19.952 -7.776 716 HB2 SER 98 1HB SER 98 3.050 -20.571 -10.386 717 HB3 SER 98 2HB SER 98 3.431 -21.517 -8.947 718 HG SER 98 HG SER 98 1.656 -22.560 -9.300 719 H SER 99 H SER 99 2.829 -17.477 -7.367 720 HA SER 99 HA SER 99 5.490 -18.236 -6.406 721 HB2 SER 99 1HB SER 99 4.913 -15.640 -7.854 722 HB3 SER 99 2HB SER 99 6.453 -16.104 -7.131 723 HG SER 99 HG SER 99 5.324 -17.857 -8.979 724 H THR 100 H THR 100 5.648 -17.835 -4.310 725 HA THR 100 HA THR 100 3.805 -16.931 -2.600 726 HB THR 100 HB THR 100 6.749 -16.279 -2.364 727 HG1 THR 100 1HG THR 100 6.918 -18.362 -2.087 728 HG21 THR 100 3HG2 THR 100 6.428 -15.946 -0.065 729 HG22 THR 100 1HG2 THR 100 4.822 -16.670 -0.092 730 HG23 THR 100 2HG2 THR 100 5.085 -15.083 -0.814 731 HA PRO 101 HA PRO 101 2.978 -12.688 -3.495 732 HB2 PRO 101 1HB PRO 101 1.725 -12.045 -1.174 733 HB3 PRO 101 2HB PRO 101 0.967 -13.022 -2.437 734 HG2 PRO 101 1HG PRO 101 2.297 -13.902 0.097 735 HG3 PRO 101 2HG PRO 101 0.788 -14.480 -0.633 736 HD2 PRO 101 1HD PRO 101 3.126 -15.826 -0.863 737 HD3 PRO 101 2HD PRO 101 1.888 -15.839 -2.135 738 H ALA 102 H ALA 102 3.997 -10.775 -3.213 739 HA ALA 102 HA ALA 102 6.186 -10.676 -1.308 740 HB1 ALA 102 3HB ALA 102 6.780 -9.950 -3.470 741 HB2 ALA 102 1HB ALA 102 5.362 -8.908 -3.595 742 HB3 ALA 102 2HB ALA 102 6.673 -8.487 -2.492 743 H ARG 103 H ARG 103 6.543 -8.831 0.080 744 HA ARG 103 HA ARG 103 4.089 -7.399 0.836 745 HB2 ARG 103 1HB ARG 103 4.481 -7.765 3.159 746 HB3 ARG 103 2HB ARG 103 4.570 -9.334 2.370 747 HG2 ARG 103 1HG ARG 103 7.126 -8.842 2.293 748 HG3 ARG 103 2HG ARG 103 6.746 -7.697 3.582 749 HD2 ARG 103 1HD ARG 103 7.319 -9.697 4.677 750 HD3 ARG 103 2HD ARG 103 5.559 -9.622 4.735 751 HE ARG 103 HE ARG 103 5.459 -11.474 3.377 752 HH11 ARG 103 1HH1 ARG 103 8.710 -10.228 3.423 753 HH12 ARG 103 2HH1 ARG 103 9.385 -11.595 2.600 754 HH21 ARG 103 1HH2 ARG 103 6.336 -13.279 2.294 755 HH22 ARG 103 2HH2 ARG 103 8.033 -13.330 1.958 756 H ALA 104 H ALA 104 4.362 -5.313 1.610 757 HA ALA 104 HA ALA 104 7.091 -4.252 1.733 758 HB1 ALA 104 3HB ALA 104 4.888 -3.170 -0.012 759 HB2 ALA 104 1HB ALA 104 6.348 -2.269 0.395 760 HB3 ALA 104 2HB ALA 104 6.466 -3.775 -0.515 761 H THR 105 H THR 105 7.336 -3.192 3.576 762 HA THR 105 HA THR 105 5.037 -2.372 5.125 763 HB THR 105 HB THR 105 7.980 -2.065 5.753 764 HG1 THR 105 1HG THR 105 7.237 -3.895 7.249 765 HG21 THR 105 3HG2 THR 105 6.685 -0.524 7.066 766 HG22 THR 105 1HG2 THR 105 7.148 -1.874 8.100 767 HG23 THR 105 2HG2 THR 105 5.507 -1.776 7.460 768 H VAL 106 H VAL 106 4.181 -0.402 5.159 769 HA VAL 106 HA VAL 106 5.777 1.836 4.092 770 HB VAL 106 HB VAL 106 2.781 1.466 3.962 771 HG11 VAL 106 1HG1 VAL 106 3.849 3.838 4.222 772 HG12 VAL 106 2HG1 VAL 106 4.268 3.616 2.523 773 HG13 VAL 106 3HG1 VAL 106 2.580 3.561 3.030 774 HG21 VAL 106 3HG2 VAL 106 3.007 1.029 1.676 775 HG22 VAL 106 1HG2 VAL 106 4.665 1.627 1.633 776 HG23 VAL 106 2HG2 VAL 106 4.302 0.091 2.419 777 H THR 107 H THR 107 6.263 3.352 5.523 778 HA THR 107 HA THR 107 4.751 3.489 8.027 779 HB THR 107 HB THR 107 7.340 4.907 7.393 780 HG1 THR 107 1HG THR 107 6.821 2.259 8.141 781 HG21 THR 107 3HG2 THR 107 7.514 4.688 9.948 782 HG22 THR 107 1HG2 THR 107 5.786 4.339 9.901 783 HG23 THR 107 2HG2 THR 107 6.391 5.883 9.300 784 H ILE 108 H ILE 108 3.271 5.014 8.297 785 HA ILE 108 HA ILE 108 3.481 7.478 6.694 786 HB ILE 108 HB ILE 108 0.972 6.215 7.805 787 HG12 ILE 108 1HG1 ILE 108 1.636 6.479 4.889 788 HG13 ILE 108 2HG1 ILE 108 2.242 5.109 5.812 789 HG21 ILE 108 1HG2 ILE 108 0.841 8.282 5.709 790 HG22 ILE 108 2HG2 ILE 108 -0.202 8.009 7.104 791 HG23 ILE 108 3HG2 ILE 108 1.343 8.834 7.306 792 HD11 ILE 108 3HD1 ILE 108 -0.628 5.647 6.108 793 HD12 ILE 108 1HD1 ILE 108 -0.108 5.139 4.502 794 HD13 ILE 108 2HD1 ILE 108 0.232 4.122 5.902 795 H ASN 109 H ASN 109 4.305 9.025 7.955 796 HA ASN 109 HA ASN 109 3.657 9.125 10.788 797 HB2 ASN 109 1HB ASN 109 5.540 10.736 9.059 798 HB3 ASN 109 2HB ASN 109 5.273 11.073 10.767 799 HD21 ASN 109 1HD2 ASN 109 7.491 9.889 8.912 800 HD22 ASN 109 2HD2 ASN 109 8.095 8.574 9.856 801 H VAL 110 H VAL 110 2.632 10.851 11.808 802 HA VAL 110 HA VAL 110 1.013 12.540 10.019 803 HB VAL 110 HB VAL 110 0.436 11.703 12.865 804 HG11 VAL 110 1HG1 VAL 110 -0.759 13.708 11.072 805 HG12 VAL 110 2HG1 VAL 110 -1.901 12.647 11.899 806 HG13 VAL 110 3HG1 VAL 110 -0.758 13.614 12.833 807 HG21 VAL 110 3HG2 VAL 110 -1.165 10.209 12.021 808 HG22 VAL 110 1HG2 VAL 110 -1.104 10.920 10.409 809 HG23 VAL 110 2HG2 VAL 110 0.253 9.963 11.003 810 H THR 111 H THR 111 1.633 14.585 9.910 811 HA THR 111 HA THR 111 3.193 15.744 12.096 812 HB THR 111 HB THR 111 3.882 17.451 10.582 813 HG1 THR 111 1HG THR 111 1.604 16.661 9.191 814 HG21 THR 111 3HG2 THR 111 4.128 15.616 8.448 815 HG22 THR 111 1HG2 THR 111 4.176 14.679 9.941 816 HG23 THR 111 2HG2 THR 111 5.318 16.000 9.692 817 H ASP 112 H ASP 112 2.772 18.176 12.430 818 HA ASP 112 HA ASP 112 0.018 18.447 13.244 819 HB2 ASP 112 1HB ASP 112 1.719 19.228 14.765 820 HB3 ASP 112 2HB ASP 112 2.406 20.279 13.529 821 H VAL 113 H VAL 113 -1.291 20.328 12.734 822 HA VAL 113 HA VAL 113 -0.737 21.391 10.039 823 HB VAL 113 HB VAL 113 -3.143 21.450 9.621 824 HG11 VAL 113 1HG1 VAL 113 -2.691 18.654 10.530 825 HG12 VAL 113 2HG1 VAL 113 -3.318 19.257 8.995 826 HG13 VAL 113 3HG1 VAL 113 -1.589 19.337 9.334 827 HG21 VAL 113 3HG2 VAL 113 -4.245 19.769 11.542 828 HG22 VAL 113 1HG2 VAL 113 -3.262 20.911 12.458 829 HG23 VAL 113 2HG2 VAL 113 -4.519 21.502 11.372 830 H ASN 114 H ASN 114 -0.291 23.485 10.134 831 HA ASN 114 HA ASN 114 -1.589 25.120 12.207 832 HB2 ASN 114 1HB ASN 114 0.705 25.372 12.532 833 HB3 ASN 114 2HB ASN 114 1.056 25.322 10.807 834 HD21 ASN 114 1HD2 ASN 114 1.518 27.179 9.887 835 HD22 ASN 114 2HD2 ASN 114 1.081 28.744 10.475 Start of MODEL 10 1 H1 GLY 1 H GLY 1 12.137 -19.417 -29.525 2 HA2 GLY 1 1HA GLY 1 13.397 -21.692 -29.738 3 HA3 GLY 1 2HA GLY 1 14.005 -20.936 -31.204 4 H SER 2 H SER 2 14.255 -18.295 -30.205 5 HA SER 2 HA SER 2 16.532 -18.681 -28.379 6 HB2 SER 2 1HB SER 2 16.038 -16.818 -30.662 7 HB3 SER 2 2HB SER 2 17.070 -16.270 -29.342 8 HG SER 2 HG SER 2 18.452 -17.273 -30.676 9 H SER 3 H SER 3 15.782 -18.348 -26.366 10 HA SER 3 HA SER 3 14.974 -15.698 -25.621 11 HB2 SER 3 1HB SER 3 12.995 -17.975 -25.463 12 HB3 SER 3 2HB SER 3 12.845 -16.509 -24.493 13 HG SER 3 HG SER 3 12.233 -16.917 -27.101 14 H GLY 4 H GLY 4 14.566 -15.573 -23.211 15 HA2 GLY 4 1HA GLY 4 15.185 -17.600 -21.415 16 HA3 GLY 4 2HA GLY 4 16.710 -16.845 -21.853 17 H SER 5 H SER 5 16.665 -14.375 -21.712 18 HA SER 5 HA SER 5 16.604 -12.555 -20.346 19 HB2 SER 5 1HB SER 5 13.766 -13.536 -19.970 20 HB3 SER 5 2HB SER 5 14.354 -11.971 -19.407 21 HG SER 5 HG SER 5 14.264 -11.237 -21.378 22 H SER 6 H SER 6 17.785 -14.777 -19.203 23 HA SER 6 HA SER 6 16.895 -15.670 -16.760 24 HB2 SER 6 1HB SER 6 19.720 -15.025 -17.629 25 HB3 SER 6 2HB SER 6 19.323 -15.911 -16.157 26 HG SER 6 HG SER 6 18.634 -16.678 -18.803 27 H GLY 7 H GLY 7 17.891 -15.075 -14.578 28 HA2 GLY 7 1HA GLY 7 18.882 -13.148 -13.335 29 HA3 GLY 7 2HA GLY 7 17.800 -12.135 -14.279 30 H ASN 8 H ASN 8 15.428 -12.686 -14.045 31 HA ASN 8 HA ASN 8 14.836 -12.838 -11.211 32 HB2 ASN 8 1HB ASN 8 12.833 -11.808 -11.696 33 HB3 ASN 8 2HB ASN 8 13.808 -11.238 -13.047 34 HD21 ASN 8 1HD2 ASN 8 13.495 -12.150 -15.098 35 HD22 ASN 8 2HD2 ASN 8 12.040 -12.991 -15.497 36 H ASP 9 H ASP 9 13.551 -14.367 -10.217 37 HA ASP 9 HA ASP 9 13.384 -16.925 -11.607 38 HB2 ASP 9 1HB ASP 9 14.273 -16.470 -9.168 39 HB3 ASP 9 2HB ASP 9 12.564 -16.563 -8.753 40 H ASN 10 H ASN 10 11.584 -14.969 -12.512 41 HA ASN 10 HA ASN 10 9.396 -14.753 -13.097 42 HB2 ASN 10 1HB ASN 10 9.076 -17.423 -11.708 43 HB3 ASN 10 2HB ASN 10 7.899 -16.678 -12.785 44 HD21 ASN 10 1HD2 ASN 10 9.563 -19.199 -12.861 45 HD22 ASN 10 2HD2 ASN 10 10.289 -19.176 -14.429 46 H ARG 11 H ARG 11 10.214 -13.401 -10.842 47 HA ARG 11 HA ARG 11 7.713 -13.307 -9.323 48 HB2 ARG 11 1HB ARG 11 9.314 -12.790 -7.286 49 HB3 ARG 11 2HB ARG 11 8.874 -14.441 -7.701 50 HG2 ARG 11 1HG ARG 11 11.005 -14.528 -9.058 51 HG3 ARG 11 2HG ARG 11 11.447 -13.008 -8.278 52 HD2 ARG 11 1HD ARG 11 10.758 -15.559 -6.826 53 HD3 ARG 11 2HD ARG 11 12.397 -15.000 -7.155 54 HE ARG 11 HE ARG 11 10.720 -13.129 -5.722 55 HH11 ARG 11 1HH1 ARG 11 13.047 -15.710 -5.510 56 HH12 ARG 11 2HH1 ARG 11 13.559 -15.293 -3.908 57 HH21 ARG 11 1HH2 ARG 11 11.386 -12.570 -3.613 58 HH22 ARG 11 2HH2 ARG 11 12.612 -13.507 -2.830 59 HA PRO 12 HA PRO 12 8.098 -8.978 -10.007 60 HB2 PRO 12 1HB PRO 12 6.500 -8.073 -8.007 61 HB3 PRO 12 2HB PRO 12 5.869 -8.845 -9.467 62 HG2 PRO 12 1HG PRO 12 6.323 -10.016 -6.749 63 HG3 PRO 12 2HG PRO 12 4.944 -10.229 -7.843 64 HD2 PRO 12 1HD PRO 12 6.909 -12.075 -7.601 65 HD3 PRO 12 2HD PRO 12 6.041 -11.799 -9.125 66 H VAL 13 H VAL 13 8.040 -6.959 -8.185 67 HA VAL 13 HA VAL 13 9.697 -7.311 -5.925 68 HB VAL 13 HB VAL 13 11.452 -7.717 -7.573 69 HG11 VAL 13 1HG1 VAL 13 12.123 -6.030 -9.175 70 HG12 VAL 13 2HG1 VAL 13 10.430 -6.457 -9.431 71 HG13 VAL 13 3HG1 VAL 13 10.846 -4.951 -8.613 72 HG21 VAL 13 3HG2 VAL 13 11.708 -6.233 -5.419 73 HG22 VAL 13 1HG2 VAL 13 13.043 -6.414 -6.557 74 HG23 VAL 13 2HG2 VAL 13 12.041 -4.963 -6.596 75 H PHE 14 H PHE 14 9.412 -5.617 -4.612 76 HA PHE 14 HA PHE 14 7.913 -3.344 -5.582 77 HB2 PHE 14 1HB PHE 14 8.756 -4.330 -2.878 78 HB3 PHE 14 2HB PHE 14 8.180 -2.677 -3.068 79 HD1 PHE 14 1HD PHE 14 5.987 -2.757 -4.825 80 HD2 PHE 14 2HD PHE 14 7.153 -5.671 -1.950 81 HE1 PHE 14 1HE PHE 14 3.662 -3.551 -4.692 82 HE2 PHE 14 2HE PHE 14 4.830 -6.470 -1.813 83 HZ PHE 14 HZ PHE 14 3.081 -5.411 -3.185 84 H LYS 15 H LYS 15 8.787 -1.517 -6.274 85 HA LYS 15 HA LYS 15 11.361 -0.913 -6.705 86 HB2 LYS 15 1HB LYS 15 9.182 0.473 -7.133 87 HB3 LYS 15 2HB LYS 15 9.629 1.289 -5.641 88 HG2 LYS 15 1HG LYS 15 11.671 2.058 -6.571 89 HG3 LYS 15 2HG LYS 15 11.488 1.022 -7.989 90 HD2 LYS 15 1HD LYS 15 9.459 3.132 -7.324 91 HD3 LYS 15 2HD LYS 15 10.927 3.522 -8.225 92 HE2 LYS 15 1HE LYS 15 10.336 1.867 -9.917 93 HE3 LYS 15 2HE LYS 15 8.886 1.441 -9.008 94 HZ1 LYS 15 3HZ LYS 15 7.799 3.236 -9.751 95 HZ2 LYS 15 1HZ LYS 15 8.963 3.256 -10.979 96 HZ3 LYS 15 2HZ LYS 15 9.145 4.253 -9.625 97 H GLU 16 H GLU 16 9.654 0.027 -3.718 98 HA GLU 16 HA GLU 16 12.228 -0.080 -2.312 99 HB2 GLU 16 1HB GLU 16 10.370 2.232 -2.536 100 HB3 GLU 16 2HB GLU 16 11.122 1.949 -0.972 101 HG2 GLU 16 1HG GLU 16 12.675 2.186 -3.534 102 HG3 GLU 16 2HG GLU 16 12.320 3.552 -2.477 103 H GLY 17 H GLY 17 12.129 -1.287 -0.534 104 HA2 GLY 17 1HA GLY 17 9.788 -2.611 0.274 105 HA3 GLY 17 2HA GLY 17 11.283 -2.536 1.195 106 H GLN 18 H GLN 18 11.611 -0.144 2.099 107 HA GLN 18 HA GLN 18 9.099 0.522 3.485 108 HB2 GLN 18 1HB GLN 18 11.237 -0.387 4.728 109 HB3 GLN 18 2HB GLN 18 11.775 1.281 4.581 110 HG2 GLN 18 1HG GLN 18 9.532 1.905 5.634 111 HG3 GLN 18 2HG GLN 18 9.412 0.201 6.070 112 HE21 GLN 18 1HE2 GLN 18 10.546 3.204 6.990 113 HE22 GLN 18 2HE2 GLN 18 11.594 2.710 8.272 114 H VAL 19 H VAL 19 8.289 2.505 3.252 115 HA VAL 19 HA VAL 19 10.053 4.662 2.317 116 HB VAL 19 HB VAL 19 7.288 4.173 1.207 117 HG11 VAL 19 1HG1 VAL 19 9.031 6.442 1.208 118 HG12 VAL 19 2HG1 VAL 19 8.830 5.852 -0.443 119 HG13 VAL 19 3HG1 VAL 19 7.415 6.280 0.520 120 HG21 VAL 19 3HG2 VAL 19 8.836 3.856 -0.928 121 HG22 VAL 19 1HG2 VAL 19 9.973 3.298 0.299 122 HG23 VAL 19 2HG2 VAL 19 8.406 2.508 0.125 123 H GLU 20 H GLU 20 9.979 6.261 3.740 124 HA GLU 20 HA GLU 20 7.692 6.533 5.517 125 HB2 GLU 20 1HB GLU 20 10.203 6.674 6.177 126 HB3 GLU 20 2HB GLU 20 10.106 8.316 5.555 127 HG2 GLU 20 1HG GLU 20 8.115 8.602 7.127 128 HG3 GLU 20 2HG GLU 20 8.668 7.112 7.890 129 H VAL 21 H VAL 21 6.119 7.971 5.251 130 HA VAL 21 HA VAL 21 6.562 10.191 3.362 131 HB VAL 21 HB VAL 21 4.115 10.123 2.918 132 HG11 VAL 21 1HG1 VAL 21 5.168 7.405 2.285 133 HG12 VAL 21 2HG1 VAL 21 4.300 8.545 1.255 134 HG13 VAL 21 3HG1 VAL 21 5.998 8.823 1.645 135 HG21 VAL 21 3HG2 VAL 21 3.182 9.089 4.801 136 HG22 VAL 21 1HG2 VAL 21 3.008 7.893 3.516 137 HG23 VAL 21 2HG2 VAL 21 4.293 7.722 4.712 138 H HIS 22 H HIS 22 5.483 12.180 3.805 139 HA HIS 22 HA HIS 22 4.790 12.528 6.649 140 HB2 HIS 22 1HB HIS 22 5.833 14.635 6.670 141 HB3 HIS 22 2HB HIS 22 6.946 13.614 5.764 142 HD1 HIS 22 1HD HIS 22 6.955 13.955 3.132 143 HD2 HIS 22 2HD HIS 22 4.855 16.808 5.302 144 HE1 HIS 22 1HE HIS 22 6.616 15.884 1.554 145 HE2 HIS 22 2HE HIS 22 5.418 17.632 2.916 146 H ILE 23 H ILE 23 2.686 12.850 6.898 147 HA ILE 23 HA ILE 23 1.321 14.728 5.113 148 HB ILE 23 HB ILE 23 0.740 12.578 4.190 149 HG12 ILE 23 1HG1 ILE 23 -1.373 13.999 5.780 150 HG13 ILE 23 2HG1 ILE 23 -1.100 14.009 4.041 151 HG21 ILE 23 1HG2 ILE 23 -0.585 11.631 6.666 152 HG22 ILE 23 2HG2 ILE 23 0.177 10.716 5.366 153 HG23 ILE 23 3HG2 ILE 23 1.173 11.510 6.586 154 HD11 ILE 23 3HD1 ILE 23 -2.639 12.146 5.707 155 HD12 ILE 23 1HD1 ILE 23 -2.880 12.647 4.034 156 HD13 ILE 23 2HD1 ILE 23 -1.684 11.410 4.421 157 HA PRO 24 HA PRO 24 -0.183 16.298 8.952 158 HB2 PRO 24 1HB PRO 24 -2.206 17.825 7.979 159 HB3 PRO 24 2HB PRO 24 -0.504 18.279 7.833 160 HG2 PRO 24 1HG PRO 24 -2.303 16.998 5.812 161 HG3 PRO 24 2HG PRO 24 -1.124 18.304 5.592 162 HD2 PRO 24 1HD PRO 24 -0.597 15.736 4.913 163 HD3 PRO 24 2HD PRO 24 0.660 16.848 5.494 164 H GLU 25 H GLU 25 -1.873 16.009 10.408 165 HA GLU 25 HA GLU 25 -3.456 13.698 10.075 166 HB2 GLU 25 1HB GLU 25 -4.506 14.364 12.215 167 HB3 GLU 25 2HB GLU 25 -2.750 14.407 12.279 168 HG2 GLU 25 1HG GLU 25 -2.786 16.826 12.002 169 HG3 GLU 25 2HG GLU 25 -4.546 16.794 11.908 170 H ASN 26 H ASN 26 -4.089 17.106 9.590 171 HA ASN 26 HA ASN 26 -6.919 16.596 9.089 172 HB2 ASN 26 1HB ASN 26 -6.418 18.561 10.414 173 HB3 ASN 26 2HB ASN 26 -5.325 19.165 9.172 174 HD21 ASN 26 1HD2 ASN 26 -6.233 20.926 8.379 175 HD22 ASN 26 2HD2 ASN 26 -7.864 21.059 7.824 176 H ALA 27 H ALA 27 -4.783 15.587 7.316 177 HA ALA 27 HA ALA 27 -4.538 17.073 4.967 178 HB1 ALA 27 3HB ALA 27 -4.271 14.722 3.912 179 HB2 ALA 27 1HB ALA 27 -3.094 15.271 5.106 180 HB3 ALA 27 2HB ALA 27 -4.373 14.150 5.577 181 HA PRO 28 HA PRO 28 -8.549 16.956 3.155 182 HB2 PRO 28 1HB PRO 28 -7.860 17.315 0.554 183 HB3 PRO 28 2HB PRO 28 -7.799 18.613 1.752 184 HG2 PRO 28 1HG PRO 28 -5.580 16.900 0.701 185 HG3 PRO 28 2HG PRO 28 -5.597 18.647 1.005 186 HD2 PRO 28 1HD PRO 28 -4.474 16.880 2.722 187 HD3 PRO 28 2HD PRO 28 -5.244 18.384 3.267 188 H VAL 29 H VAL 29 -9.873 15.352 2.566 189 HA VAL 29 HA VAL 29 -9.036 12.740 2.125 190 HB VAL 29 HB VAL 29 -11.648 14.018 1.304 191 HG11 VAL 29 1HG1 VAL 29 -11.001 11.791 0.219 192 HG12 VAL 29 2HG1 VAL 29 -11.203 11.096 1.829 193 HG13 VAL 29 3HG1 VAL 29 -12.565 11.883 1.029 194 HG21 VAL 29 3HG2 VAL 29 -11.486 12.252 3.657 195 HG22 VAL 29 1HG2 VAL 29 -10.679 13.812 3.813 196 HG23 VAL 29 2HG2 VAL 29 -12.396 13.743 3.415 197 H GLY 30 H GLY 30 -8.317 11.648 0.407 198 HA2 GLY 30 1HA GLY 30 -8.483 11.092 -1.942 199 HA3 GLY 30 2HA GLY 30 -8.780 12.793 -2.271 200 H THR 31 H THR 31 -6.419 12.640 0.033 201 HA THR 31 HA THR 31 -4.381 13.405 -1.846 202 HB THR 31 HB THR 31 -4.084 12.955 1.129 203 HG1 THR 31 1HG THR 31 -4.783 15.312 -0.319 204 HG21 THR 31 3HG2 THR 31 -2.194 13.518 -0.863 205 HG22 THR 31 1HG2 THR 31 -1.970 13.622 0.883 206 HG23 THR 31 2HG2 THR 31 -2.475 15.046 -0.028 207 H SER 32 H SER 32 -2.855 12.160 -2.716 208 HA SER 32 HA SER 32 -2.846 9.348 -2.299 209 HB2 SER 32 1HB SER 32 -0.596 9.681 -3.700 210 HB3 SER 32 2HB SER 32 -2.187 9.806 -4.449 211 HG SER 32 HG SER 32 -0.311 11.771 -3.921 212 H VAL 33 H VAL 33 -2.001 8.362 -0.598 213 HA VAL 33 HA VAL 33 0.064 9.630 0.991 214 HB VAL 33 HB VAL 33 -1.080 6.880 1.439 215 HG11 VAL 33 1HG1 VAL 33 -0.186 6.989 3.530 216 HG12 VAL 33 2HG1 VAL 33 0.976 8.012 2.682 217 HG13 VAL 33 3HG1 VAL 33 -0.327 8.744 3.620 218 HG21 VAL 33 3HG2 VAL 33 -3.076 7.734 1.906 219 HG22 VAL 33 1HG2 VAL 33 -2.343 8.799 3.107 220 HG23 VAL 33 2HG2 VAL 33 -2.507 9.336 1.435 221 H ILE 34 H ILE 34 -0.266 6.304 -0.255 222 HA ILE 34 HA ILE 34 2.504 6.411 -1.191 223 HB ILE 34 HB ILE 34 2.611 5.469 1.076 224 HG12 ILE 34 1HG1 ILE 34 3.679 3.258 0.422 225 HG13 ILE 34 2HG1 ILE 34 3.138 3.582 -1.222 226 HG21 ILE 34 1HG2 ILE 34 0.216 4.237 0.374 227 HG22 ILE 34 2HG2 ILE 34 1.382 2.921 0.508 228 HG23 ILE 34 3HG2 ILE 34 1.126 4.015 1.868 229 HD11 ILE 34 3HD1 ILE 34 4.589 5.370 -1.477 230 HD12 ILE 34 1HD1 ILE 34 4.802 5.573 0.262 231 HD13 ILE 34 2HD1 ILE 34 5.538 4.198 -0.563 232 H GLN 35 H GLN 35 2.917 5.172 -2.971 233 HA GLN 35 HA GLN 35 0.760 3.422 -3.937 234 HB2 GLN 35 1HB GLN 35 0.648 5.603 -5.097 235 HB3 GLN 35 2HB GLN 35 2.310 5.389 -5.630 236 HG2 GLN 35 1HG GLN 35 1.415 3.181 -6.663 237 HG3 GLN 35 2HG GLN 35 -0.157 3.963 -6.509 238 HE21 GLN 35 1HE2 GLN 35 -0.462 4.099 -8.716 239 HE22 GLN 35 2HE2 GLN 35 0.429 5.193 -9.713 240 H LEU 36 H LEU 36 1.426 1.473 -4.571 241 HA LEU 36 HA LEU 36 4.309 0.985 -4.725 242 HB2 LEU 36 1HB LEU 36 1.966 -0.885 -4.430 243 HB3 LEU 36 2HB LEU 36 3.639 -1.416 -4.589 244 HG LEU 36 HG LEU 36 3.878 0.230 -2.473 245 HD11 LEU 36 1HD1 LEU 36 1.719 0.884 -2.047 246 HD12 LEU 36 2HD1 LEU 36 1.845 -0.546 -1.024 247 HD13 LEU 36 3HD1 LEU 36 1.031 -0.648 -2.584 248 HD21 LEU 36 3HD2 LEU 36 4.620 -2.113 -2.663 249 HD22 LEU 36 1HD2 LEU 36 2.972 -2.643 -2.326 250 HD23 LEU 36 2HD2 LEU 36 3.882 -1.761 -1.099 251 H HIS 37 H HIS 37 5.251 -0.147 -6.449 252 HA HIS 37 HA HIS 37 3.597 -0.494 -8.849 253 HB2 HIS 37 1HB HIS 37 5.068 1.703 -8.685 254 HB3 HIS 37 2HB HIS 37 6.355 0.604 -9.172 255 HD1 HIS 37 1HD HIS 37 6.715 1.268 -11.552 256 HD2 HIS 37 2HD HIS 37 2.702 0.643 -10.675 257 HE1 HIS 37 1HE HIS 37 5.515 1.411 -13.757 258 HE2 HIS 37 2HE HIS 37 3.079 1.114 -13.191 259 H ALA 38 H ALA 38 3.684 -2.632 -9.142 260 HA ALA 38 HA ALA 38 6.343 -3.900 -9.189 261 HB1 ALA 38 3HB ALA 38 4.970 -6.018 -8.523 262 HB2 ALA 38 1HB ALA 38 5.479 -4.865 -7.288 263 HB3 ALA 38 2HB ALA 38 3.822 -4.835 -7.895 264 H THR 39 H THR 39 6.841 -4.875 -11.042 265 HA THR 39 HA THR 39 4.680 -5.787 -12.808 266 HB THR 39 HB THR 39 5.831 -4.886 -14.777 267 HG1 THR 39 1HG THR 39 7.950 -4.816 -13.706 268 HG21 THR 39 3HG2 THR 39 5.496 -2.601 -12.858 269 HG22 THR 39 1HG2 THR 39 4.114 -3.557 -13.392 270 HG23 THR 39 2HG2 THR 39 5.086 -2.676 -14.572 271 H ASP 40 H ASP 40 4.995 -7.920 -12.880 272 HA ASP 40 HA ASP 40 7.103 -9.460 -12.289 273 HB2 ASP 40 1HB ASP 40 4.811 -10.169 -13.195 274 HB3 ASP 40 2HB ASP 40 5.535 -10.041 -14.795 275 H ALA 41 H ALA 41 6.554 -8.231 -15.593 276 HA ALA 41 HA ALA 41 9.467 -8.228 -15.985 277 HB1 ALA 41 3HB ALA 41 7.538 -9.154 -18.103 278 HB2 ALA 41 1HB ALA 41 9.301 -9.216 -18.141 279 HB3 ALA 41 2HB ALA 41 8.405 -10.250 -17.027 280 H ASP 42 H ASP 42 9.991 -6.162 -16.257 281 HA ASP 42 HA ASP 42 8.481 -3.995 -16.766 282 HB2 ASP 42 1HB ASP 42 10.704 -3.488 -16.353 283 HB3 ASP 42 2HB ASP 42 11.297 -4.650 -17.536 284 H ILE 43 H ILE 43 9.562 -6.328 -19.153 285 HA ILE 43 HA ILE 43 8.470 -4.785 -21.355 286 HB ILE 43 HB ILE 43 10.423 -5.925 -21.972 287 HG12 ILE 43 1HG1 ILE 43 9.711 -7.496 -23.692 288 HG13 ILE 43 2HG1 ILE 43 8.162 -7.717 -22.886 289 HG21 ILE 43 1HG2 ILE 43 10.164 -8.623 -21.640 290 HG22 ILE 43 2HG2 ILE 43 11.058 -7.547 -20.567 291 HG23 ILE 43 3HG2 ILE 43 9.396 -7.995 -20.182 292 HD11 ILE 43 3HD1 ILE 43 7.560 -5.425 -23.349 293 HD12 ILE 43 1HD1 ILE 43 9.140 -5.133 -24.076 294 HD13 ILE 43 2HD1 ILE 43 8.010 -6.251 -24.840 295 H GLY 44 H GLY 44 6.277 -4.708 -21.230 296 HA2 GLY 44 1HA GLY 44 4.093 -5.429 -21.225 297 HA3 GLY 44 2HA GLY 44 4.710 -6.745 -22.213 298 H SER 45 H SER 45 3.510 -5.813 -19.137 299 HA SER 45 HA SER 45 4.146 -8.421 -17.968 300 HB2 SER 45 1HB SER 45 4.620 -6.514 -16.543 301 HB3 SER 45 2HB SER 45 2.972 -5.917 -16.738 302 HG SER 45 HG SER 45 2.228 -7.724 -15.618 303 H ASN 46 H ASN 46 2.739 -9.875 -18.812 304 HA ASN 46 HA ASN 46 -0.093 -9.236 -18.983 305 HB2 ASN 46 1HB ASN 46 1.219 -11.874 -19.644 306 HB3 ASN 46 2HB ASN 46 -0.335 -11.267 -20.211 307 HD21 ASN 46 1HD2 ASN 46 0.136 -8.825 -21.104 308 HD22 ASN 46 2HD2 ASN 46 1.302 -8.826 -22.379 309 H ALA 47 H ALA 47 -0.100 -9.001 -16.561 310 HA ALA 47 HA ALA 47 -1.238 -11.370 -15.411 311 HB1 ALA 47 3HB ALA 47 1.521 -10.971 -15.026 312 HB2 ALA 47 1HB ALA 47 0.734 -10.568 -13.500 313 HB3 ALA 47 2HB ALA 47 0.474 -12.150 -14.236 314 H GLU 48 H GLU 48 -2.979 -10.615 -14.417 315 HA GLU 48 HA GLU 48 -3.208 -7.876 -13.619 316 HB2 GLU 48 1HB GLU 48 -5.046 -10.244 -13.244 317 HB3 GLU 48 2HB GLU 48 -5.456 -8.601 -12.772 318 HG2 GLU 48 1HG GLU 48 -6.451 -8.715 -14.820 319 HG3 GLU 48 2HG GLU 48 -4.876 -8.058 -15.261 320 H ILE 49 H ILE 49 -1.577 -7.624 -12.046 321 HA ILE 49 HA ILE 49 -1.415 -9.226 -9.708 322 HB ILE 49 HB ILE 49 -0.350 -6.476 -10.334 323 HG12 ILE 49 1HG1 ILE 49 1.053 -9.133 -9.980 324 HG13 ILE 49 2HG1 ILE 49 0.622 -8.432 -11.536 325 HG21 ILE 49 1HG2 ILE 49 1.105 -6.983 -8.257 326 HG22 ILE 49 2HG2 ILE 49 -0.526 -6.356 -8.026 327 HG23 ILE 49 3HG2 ILE 49 -0.204 -8.077 -7.811 328 HD11 ILE 49 3HD1 ILE 49 2.012 -6.397 -10.417 329 HD12 ILE 49 1HD1 ILE 49 2.831 -7.797 -9.725 330 HD13 ILE 49 2HD1 ILE 49 2.705 -7.626 -11.476 331 H ARG 50 H ARG 50 -2.918 -9.330 -8.184 332 HA ARG 50 HA ARG 50 -4.623 -7.004 -7.676 333 HB2 ARG 50 1HB ARG 50 -4.867 -9.926 -6.982 334 HB3 ARG 50 2HB ARG 50 -5.908 -8.707 -6.260 335 HG2 ARG 50 1HG ARG 50 -5.643 -9.066 -9.230 336 HG3 ARG 50 2HG ARG 50 -6.836 -9.929 -8.257 337 HD2 ARG 50 1HD ARG 50 -7.381 -7.497 -7.395 338 HD3 ARG 50 2HD ARG 50 -6.664 -7.036 -8.939 339 HE ARG 50 HE ARG 50 -9.240 -8.134 -8.539 340 HH11 ARG 50 1HH1 ARG 50 -6.526 -8.239 -10.717 341 HH12 ARG 50 2HH1 ARG 50 -7.483 -8.664 -12.097 342 HH21 ARG 50 1HH2 ARG 50 -10.511 -8.692 -10.349 343 HH22 ARG 50 2HH2 ARG 50 -9.750 -8.920 -11.887 344 H TYR 51 H TYR 51 -4.387 -5.781 -5.922 345 HA TYR 51 HA TYR 51 -2.500 -6.668 -3.857 346 HB2 TYR 51 1HB TYR 51 -3.572 -3.875 -4.258 347 HB3 TYR 51 2HB TYR 51 -2.171 -4.365 -3.312 348 HD1 TYR 51 1HD TYR 51 -3.474 -4.186 -6.788 349 HD2 TYR 51 2HD TYR 51 -0.040 -4.437 -4.288 350 HE1 TYR 51 1HE TYR 51 -2.031 -3.806 -8.743 351 HE2 TYR 51 2HE TYR 51 1.413 -4.057 -6.236 352 HH TYR 51 HH TYR 51 1.475 -3.476 -8.401 353 H ILE 52 H ILE 52 -3.039 -6.738 -1.712 354 HA ILE 52 HA ILE 52 -5.749 -5.967 -0.921 355 HB ILE 52 HB ILE 52 -6.142 -8.075 0.234 356 HG12 ILE 52 1HG1 ILE 52 -3.714 -9.207 -1.146 357 HG13 ILE 52 2HG1 ILE 52 -3.628 -8.539 0.481 358 HG21 ILE 52 1HG2 ILE 52 -5.409 -8.776 -2.589 359 HG22 ILE 52 2HG2 ILE 52 -6.773 -9.345 -1.627 360 HG23 ILE 52 3HG2 ILE 52 -6.744 -7.684 -2.220 361 HD11 ILE 52 3HD1 ILE 52 -3.878 -10.992 0.424 362 HD12 ILE 52 1HD1 ILE 52 -5.182 -10.177 1.288 363 HD13 ILE 52 2HD1 ILE 52 -5.450 -10.784 -0.347 364 H PHE 53 H PHE 53 -5.953 -6.506 1.578 365 HA PHE 53 HA PHE 53 -3.870 -4.975 2.844 366 HB2 PHE 53 1HB PHE 53 -6.439 -6.204 3.833 367 HB3 PHE 53 2HB PHE 53 -5.306 -5.405 4.918 368 HD1 PHE 53 2HD PHE 53 -4.495 -3.015 3.895 369 HD2 PHE 53 1HD PHE 53 -8.221 -4.941 3.173 370 HE1 PHE 53 2HE PHE 53 -5.510 -0.840 3.353 371 HE2 PHE 53 1HE PHE 53 -9.242 -2.769 2.629 372 HZ PHE 53 HZ PHE 53 -7.887 -0.715 2.720 373 H GLY 54 H GLY 54 -2.339 -5.659 4.273 374 HA2 GLY 54 1HA GLY 54 -1.515 -8.375 4.139 375 HA3 GLY 54 2HA GLY 54 -0.813 -7.131 5.163 376 H ALA 55 H ALA 55 -0.734 -9.297 6.448 377 HA ALA 55 HA ALA 55 -3.214 -9.945 7.801 378 HB1 ALA 55 3HB ALA 55 -2.039 -11.881 7.556 379 HB2 ALA 55 1HB ALA 55 -0.474 -11.085 7.726 380 HB3 ALA 55 2HB ALA 55 -1.463 -11.401 9.152 381 H GLN 56 H GLN 56 -3.475 -9.838 10.101 382 HA GLN 56 HA GLN 56 -3.525 -8.690 12.066 383 HB2 GLN 56 1HB GLN 56 -0.559 -8.584 11.502 384 HB3 GLN 56 2HB GLN 56 -1.284 -8.091 13.026 385 HG2 GLN 56 1HG GLN 56 -1.874 -10.254 13.597 386 HG3 GLN 56 2HG GLN 56 -1.788 -10.823 11.930 387 HE21 GLN 56 1HE2 GLN 56 -0.429 -11.411 14.670 388 HE22 GLN 56 2HE2 GLN 56 1.230 -11.608 14.231 389 H VAL 57 H VAL 57 -4.442 -7.136 10.129 390 HA VAL 57 HA VAL 57 -3.113 -4.531 10.503 391 HB VAL 57 HB VAL 57 -4.917 -5.419 8.248 392 HG11 VAL 57 1HG1 VAL 57 -4.631 -3.276 7.278 393 HG12 VAL 57 2HG1 VAL 57 -5.111 -3.005 8.955 394 HG13 VAL 57 3HG1 VAL 57 -3.423 -2.817 8.478 395 HG21 VAL 57 3HG2 VAL 57 -2.864 -5.083 6.874 396 HG22 VAL 57 1HG2 VAL 57 -1.955 -4.876 8.371 397 HG23 VAL 57 2HG2 VAL 57 -2.746 -6.414 8.025 398 H ALA 58 H ALA 58 -4.111 -3.351 11.992 399 HA ALA 58 HA ALA 58 -6.554 -3.745 13.151 400 HB1 ALA 58 3HB ALA 58 -6.037 -0.911 12.918 401 HB2 ALA 58 1HB ALA 58 -5.992 -1.953 14.340 402 HB3 ALA 58 2HB ALA 58 -4.569 -1.808 13.307 403 HA PRO 59 HA PRO 59 -9.630 -2.735 10.168 404 HB2 PRO 59 1HB PRO 59 -11.674 -2.113 11.843 405 HB3 PRO 59 2HB PRO 59 -11.122 -3.770 11.576 406 HG2 PRO 59 1HG PRO 59 -10.492 -1.904 13.830 407 HG3 PRO 59 2HG PRO 59 -10.886 -3.632 13.885 408 HD2 PRO 59 1HD PRO 59 -8.346 -2.711 14.060 409 HD3 PRO 59 2HD PRO 59 -8.748 -4.267 13.306 410 H ALA 60 H ALA 60 -8.881 -0.470 12.754 411 HA ALA 60 HA ALA 60 -10.317 1.743 11.751 412 HB1 ALA 60 3HB ALA 60 -7.790 2.002 13.344 413 HB2 ALA 60 1HB ALA 60 -9.228 3.023 13.368 414 HB3 ALA 60 2HB ALA 60 -9.281 1.408 14.074 415 H THR 61 H THR 61 -7.081 0.514 11.129 416 HA THR 61 HA THR 61 -6.162 2.775 9.671 417 HB THR 61 HB THR 61 -5.206 -0.088 9.744 418 HG1 THR 61 1HG THR 61 -3.916 0.635 11.284 419 HG21 THR 61 3HG2 THR 61 -4.021 0.309 7.898 420 HG22 THR 61 1HG2 THR 61 -3.159 1.570 8.778 421 HG23 THR 61 2HG2 THR 61 -4.592 1.976 7.833 422 H LYS 62 H LYS 62 -7.605 -0.321 8.726 423 HA LYS 62 HA LYS 62 -7.395 0.098 5.932 424 HB2 LYS 62 1HB LYS 62 -8.995 -1.747 7.671 425 HB3 LYS 62 2HB LYS 62 -9.335 -1.654 5.948 426 HG2 LYS 62 1HG LYS 62 -7.062 -2.306 5.432 427 HG3 LYS 62 2HG LYS 62 -6.653 -2.316 7.149 428 HD2 LYS 62 1HD LYS 62 -8.939 -3.985 6.223 429 HD3 LYS 62 2HD LYS 62 -7.299 -4.536 5.870 430 HE2 LYS 62 1HE LYS 62 -6.732 -4.544 8.193 431 HE3 LYS 62 2HE LYS 62 -8.248 -3.753 8.621 432 HZ1 LYS 62 3HZ LYS 62 -8.670 -6.177 7.171 433 HZ2 LYS 62 1HZ LYS 62 -9.299 -5.695 8.666 434 HZ3 LYS 62 2HZ LYS 62 -7.784 -6.443 8.587 435 H ARG 63 H ARG 63 -9.750 1.027 8.336 436 HA ARG 63 HA ARG 63 -11.779 1.769 6.448 437 HB2 ARG 63 1HB ARG 63 -12.508 1.150 8.634 438 HB3 ARG 63 2HB ARG 63 -11.417 2.301 9.394 439 HG2 ARG 63 1HG ARG 63 -12.799 4.064 8.063 440 HG3 ARG 63 2HG ARG 63 -14.010 2.781 8.007 441 HD2 ARG 63 1HD ARG 63 -14.433 4.186 9.916 442 HD3 ARG 63 2HD ARG 63 -13.878 2.607 10.471 443 HE ARG 63 HE ARG 63 -11.595 4.007 10.419 444 HH11 ARG 63 1HH1 ARG 63 -14.734 4.739 11.735 445 HH12 ARG 63 2HH1 ARG 63 -14.112 5.733 13.010 446 HH21 ARG 63 1HH2 ARG 63 -10.764 5.313 12.094 447 HH22 ARG 63 2HH2 ARG 63 -11.853 6.059 13.213 448 H LEU 64 H LEU 64 -9.230 3.437 8.219 449 HA LEU 64 HA LEU 64 -10.035 6.051 7.357 450 HB2 LEU 64 1HB LEU 64 -7.568 4.978 8.696 451 HB3 LEU 64 2HB LEU 64 -7.725 6.669 8.226 452 HG LEU 64 HG LEU 64 -9.704 5.341 10.056 453 HD11 LEU 64 1HD1 LEU 64 -7.266 6.879 10.925 454 HD12 LEU 64 2HD1 LEU 64 -7.381 5.119 10.950 455 HD13 LEU 64 3HD1 LEU 64 -8.464 6.088 11.949 456 HD21 LEU 64 3HD2 LEU 64 -8.918 8.201 9.517 457 HD22 LEU 64 1HD2 LEU 64 -10.024 7.691 10.793 458 HD23 LEU 64 2HD2 LEU 64 -10.443 7.418 9.102 459 H PHE 65 H PHE 65 -7.770 3.609 6.259 460 HA PHE 65 HA PHE 65 -7.033 5.357 4.007 461 HB2 PHE 65 1HB PHE 65 -5.535 3.028 5.223 462 HB3 PHE 65 2HB PHE 65 -5.036 3.876 3.763 463 HD1 PHE 65 2HD PHE 65 -5.412 4.114 7.401 464 HD2 PHE 65 1HD PHE 65 -4.044 6.055 3.869 465 HE1 PHE 65 2HE PHE 65 -4.193 5.750 8.776 466 HE2 PHE 65 1HE PHE 65 -2.822 7.694 5.238 467 HZ PHE 65 HZ PHE 65 -2.897 7.544 7.696 468 H ALA 66 H ALA 66 -7.740 4.818 2.053 469 HA ALA 66 HA ALA 66 -9.012 2.206 1.692 470 HB1 ALA 66 3HB ALA 66 -10.536 3.291 0.497 471 HB2 ALA 66 1HB ALA 66 -9.725 4.799 0.920 472 HB3 ALA 66 2HB ALA 66 -9.298 3.955 -0.569 473 H LEU 67 H LEU 67 -8.181 0.663 0.428 474 HA LEU 67 HA LEU 67 -5.794 1.332 -1.160 475 HB2 LEU 67 1HB LEU 67 -5.230 -0.216 0.541 476 HB3 LEU 67 2HB LEU 67 -6.650 -1.205 0.207 477 HG LEU 67 HG LEU 67 -5.642 -1.841 -1.965 478 HD11 LEU 67 1HD1 LEU 67 -3.967 -0.651 -2.792 479 HD12 LEU 67 2HD1 LEU 67 -2.937 -1.238 -1.487 480 HD13 LEU 67 3HD1 LEU 67 -3.833 0.268 -1.292 481 HD21 LEU 67 3HD2 LEU 67 -4.242 -2.422 0.619 482 HD22 LEU 67 1HD2 LEU 67 -3.701 -3.153 -0.892 483 HD23 LEU 67 2HD2 LEU 67 -5.340 -3.444 -0.309 484 H ASN 68 H ASN 68 -5.706 0.842 -3.292 485 HA ASN 68 HA ASN 68 -8.178 -0.163 -4.507 486 HB2 ASN 68 1HB ASN 68 -5.909 1.520 -5.549 487 HB3 ASN 68 2HB ASN 68 -7.054 0.747 -6.641 488 HD21 ASN 68 1HD2 ASN 68 -6.588 3.558 -6.245 489 HD22 ASN 68 2HD2 ASN 68 -8.085 4.242 -5.720 490 H ASN 69 H ASN 69 -8.232 -2.211 -5.125 491 HA ASN 69 HA ASN 69 -5.805 -3.756 -5.363 492 HB2 ASN 69 1HB ASN 69 -8.613 -4.685 -5.969 493 HB3 ASN 69 2HB ASN 69 -7.221 -5.670 -5.526 494 HD21 ASN 69 1HD2 ASN 69 -7.777 -6.565 -3.658 495 HD22 ASN 69 2HD2 ASN 69 -8.310 -5.707 -2.257 496 H THR 70 H THR 70 -7.205 -1.671 -7.393 497 HA THR 70 HA THR 70 -6.610 -3.273 -9.794 498 HB THR 70 HB THR 70 -8.024 -1.669 -11.046 499 HG1 THR 70 1HG THR 70 -9.298 -0.203 -9.850 500 HG21 THR 70 3HG2 THR 70 -10.138 -2.540 -10.328 501 HG22 THR 70 1HG2 THR 70 -9.515 -2.867 -8.712 502 HG23 THR 70 2HG2 THR 70 -8.929 -3.800 -10.089 503 H THR 71 H THR 71 -5.828 -0.442 -7.982 504 HA THR 71 HA THR 71 -3.879 0.323 -10.056 505 HB THR 71 HB THR 71 -4.066 2.665 -9.253 506 HG1 THR 71 1HG THR 71 -5.238 3.086 -7.545 507 HG21 THR 71 3HG2 THR 71 -5.943 1.202 -10.828 508 HG22 THR 71 1HG2 THR 71 -5.448 2.887 -10.986 509 HG23 THR 71 2HG2 THR 71 -6.806 2.460 -9.944 510 H GLY 72 H GLY 72 -4.390 -0.705 -6.886 511 HA2 GLY 72 1HA GLY 72 -3.000 -0.986 -5.081 512 HA3 GLY 72 2HA GLY 72 -1.686 -0.913 -6.246 513 H LEU 73 H LEU 73 -3.993 1.644 -5.449 514 HA LEU 73 HA LEU 73 -1.742 3.222 -4.384 515 HB2 LEU 73 1HB LEU 73 -2.272 4.220 -6.432 516 HB3 LEU 73 2HB LEU 73 -4.005 4.005 -6.189 517 HG LEU 73 HG LEU 73 -3.944 5.747 -4.440 518 HD11 LEU 73 1HD1 LEU 73 -1.339 5.274 -4.190 519 HD12 LEU 73 2HD1 LEU 73 -2.066 6.821 -3.760 520 HD13 LEU 73 3HD1 LEU 73 -1.256 6.631 -5.315 521 HD21 LEU 73 3HD2 LEU 73 -2.717 7.231 -6.616 522 HD22 LEU 73 1HD2 LEU 73 -4.370 7.278 -6.003 523 HD23 LEU 73 2HD2 LEU 73 -3.900 6.052 -7.181 524 H ILE 74 H ILE 74 -1.993 4.099 -2.422 525 HA ILE 74 HA ILE 74 -4.589 3.751 -1.099 526 HB ILE 74 HB ILE 74 -1.872 4.269 0.115 527 HG12 ILE 74 1HG1 ILE 74 -3.546 1.749 0.059 528 HG13 ILE 74 2HG1 ILE 74 -2.107 2.031 -0.914 529 HG21 ILE 74 1HG2 ILE 74 -2.828 4.181 2.216 530 HG22 ILE 74 2HG2 ILE 74 -4.043 5.068 1.298 531 HG23 ILE 74 3HG2 ILE 74 -4.274 3.353 1.638 532 HD11 ILE 74 3HD1 ILE 74 -1.634 2.451 1.916 533 HD12 ILE 74 1HD1 ILE 74 -2.198 0.821 1.550 534 HD13 ILE 74 2HD1 ILE 74 -0.758 1.456 0.753 535 H THR 75 H THR 75 -5.807 5.442 -0.558 536 HA THR 75 HA THR 75 -4.567 8.112 -0.491 537 HB THR 75 HB THR 75 -6.721 9.011 -1.440 538 HG1 THR 75 1HG THR 75 -8.140 7.591 -2.377 539 HG21 THR 75 3HG2 THR 75 -5.031 9.072 -3.002 540 HG22 THR 75 1HG2 THR 75 -6.181 8.010 -3.812 541 HG23 THR 75 2HG2 THR 75 -4.791 7.325 -2.970 542 H VAL 76 H VAL 76 -5.779 9.707 0.756 543 HA VAL 76 HA VAL 76 -6.653 8.633 3.250 544 HB VAL 76 HB VAL 76 -6.730 11.471 2.217 545 HG11 VAL 76 1HG1 VAL 76 -8.355 11.198 3.985 546 HG12 VAL 76 2HG1 VAL 76 -7.157 10.396 5.003 547 HG13 VAL 76 3HG1 VAL 76 -6.968 12.101 4.592 548 HG21 VAL 76 3HG2 VAL 76 -4.533 9.976 2.764 549 HG22 VAL 76 1HG2 VAL 76 -4.611 11.731 2.923 550 HG23 VAL 76 2HG2 VAL 76 -4.847 10.706 4.338 551 H GLN 77 H GLN 77 -8.565 7.625 3.355 552 HA GLN 77 HA GLN 77 -10.819 8.441 1.766 553 HB2 GLN 77 1HB GLN 77 -10.291 6.058 2.413 554 HB3 GLN 77 2HB GLN 77 -10.798 6.465 4.047 555 HG2 GLN 77 1HG GLN 77 -13.026 6.941 3.299 556 HG3 GLN 77 2HG GLN 77 -12.548 6.733 1.615 557 HE21 GLN 77 1HE2 GLN 77 -13.257 5.137 4.616 558 HE22 GLN 77 2HE2 GLN 77 -13.386 3.539 3.972 559 H ARG 78 H ARG 78 -9.782 8.777 5.104 560 HA ARG 78 HA ARG 78 -11.826 10.818 5.499 561 HB2 ARG 78 1HB ARG 78 -11.576 8.304 7.126 562 HB3 ARG 78 2HB ARG 78 -12.227 9.776 7.835 563 HG2 ARG 78 1HG ARG 78 -14.131 9.715 6.562 564 HG3 ARG 78 2HG ARG 78 -13.365 8.791 5.268 565 HD2 ARG 78 1HD ARG 78 -13.327 6.812 6.712 566 HD3 ARG 78 2HD ARG 78 -14.100 7.739 7.997 567 HE ARG 78 HE ARG 78 -15.382 6.512 5.782 568 HH11 ARG 78 1HH1 ARG 78 -15.506 9.313 7.846 569 HH12 ARG 78 2HH1 ARG 78 -17.208 9.556 7.633 570 HH21 ARG 78 1HH2 ARG 78 -17.624 6.822 5.494 571 HH22 ARG 78 2HH2 ARG 78 -18.412 8.138 6.295 572 H SER 79 H SER 79 -11.455 12.040 7.551 573 HA SER 79 HA SER 79 -8.832 12.986 7.682 574 HB2 SER 79 1HB SER 79 -10.636 14.401 8.401 575 HB3 SER 79 2HB SER 79 -11.120 13.245 9.643 576 HG SER 79 HG SER 79 -9.017 15.068 9.621 577 H LEU 80 H LEU 80 -7.175 12.734 9.178 578 HA LEU 80 HA LEU 80 -7.326 10.262 10.768 579 HB2 LEU 80 1HB LEU 80 -4.787 11.621 9.935 580 HB3 LEU 80 2HB LEU 80 -5.024 9.954 10.453 581 HG LEU 80 HG LEU 80 -6.237 10.945 7.898 582 HD11 LEU 80 1HD1 LEU 80 -3.412 9.979 8.305 583 HD12 LEU 80 2HD1 LEU 80 -3.924 11.551 7.691 584 HD13 LEU 80 3HD1 LEU 80 -4.215 10.095 6.739 585 HD21 LEU 80 3HD2 LEU 80 -6.837 8.820 7.663 586 HD22 LEU 80 1HD2 LEU 80 -6.262 8.525 9.304 587 HD23 LEU 80 2HD2 LEU 80 -5.182 8.270 7.932 588 H ASP 81 H ASP 81 -6.344 10.219 12.844 589 HA ASP 81 HA ASP 81 -5.853 12.859 14.046 590 HB2 ASP 81 1HB ASP 81 -7.567 10.632 15.160 591 HB3 ASP 81 2HB ASP 81 -7.010 12.004 16.114 592 H ARG 82 H ARG 82 -4.581 12.794 16.024 593 HA ARG 82 HA ARG 82 -2.623 10.614 15.933 594 HB2 ARG 82 1HB ARG 82 -2.527 13.482 16.728 595 HB3 ARG 82 2HB ARG 82 -1.444 12.371 17.555 596 HG2 ARG 82 1HG ARG 82 -0.829 11.614 15.138 597 HG3 ARG 82 2HG ARG 82 -1.497 13.185 14.689 598 HD2 ARG 82 1HD ARG 82 0.170 14.346 15.738 599 HD3 ARG 82 2HD ARG 82 0.445 13.081 16.936 600 HE ARG 82 HE ARG 82 1.206 12.405 14.228 601 HH11 ARG 82 1HH1 ARG 82 2.208 13.701 17.300 602 HH12 ARG 82 2HH1 ARG 82 3.889 13.381 17.034 603 HH21 ARG 82 1HH2 ARG 82 3.417 11.978 13.866 604 HH22 ARG 82 2HH2 ARG 82 4.576 12.402 15.080 605 H GLU 83 H GLU 83 -4.758 12.357 18.132 606 HA GLU 83 HA GLU 83 -4.055 11.463 20.588 607 HB2 GLU 83 1HB GLU 83 -6.806 11.747 19.390 608 HB3 GLU 83 2HB GLU 83 -6.559 11.357 21.087 609 HG2 GLU 83 1HG GLU 83 -5.054 13.473 21.081 610 HG3 GLU 83 2HG GLU 83 -5.950 13.879 19.619 611 H GLU 84 H GLU 84 -5.258 9.544 17.978 612 HA GLU 84 HA GLU 84 -5.643 7.229 19.733 613 HB2 GLU 84 1HB GLU 84 -7.252 8.015 17.797 614 HB3 GLU 84 2HB GLU 84 -6.119 7.131 16.784 615 HG2 GLU 84 1HG GLU 84 -7.538 5.955 19.161 616 HG3 GLU 84 2HG GLU 84 -8.097 5.816 17.495 617 H THR 85 H THR 85 -4.216 7.751 16.504 618 HA THR 85 HA THR 85 -1.878 6.191 17.347 619 HB THR 85 HB THR 85 -3.379 4.634 16.168 620 HG1 THR 85 1HG THR 85 -0.922 4.799 15.855 621 HG21 THR 85 3HG2 THR 85 -2.964 6.288 13.690 622 HG22 THR 85 1HG2 THR 85 -4.383 6.482 14.718 623 HG23 THR 85 2HG2 THR 85 -4.067 4.934 13.934 624 H ALA 86 H ALA 86 -0.089 7.292 16.928 625 HA ALA 86 HA ALA 86 -0.130 9.610 15.227 626 HB1 ALA 86 3HB ALA 86 2.515 9.143 15.892 627 HB2 ALA 86 1HB ALA 86 1.382 10.181 16.758 628 HB3 ALA 86 2HB ALA 86 1.611 8.507 17.267 629 H ILE 87 H ILE 87 1.426 6.423 15.143 630 HA ILE 87 HA ILE 87 2.193 6.941 12.348 631 HB ILE 87 HB ILE 87 3.319 4.926 14.295 632 HG12 ILE 87 1HG1 ILE 87 4.668 7.307 13.015 633 HG13 ILE 87 2HG1 ILE 87 3.944 7.349 14.619 634 HG21 ILE 87 1HG2 ILE 87 3.249 4.109 11.962 635 HG22 ILE 87 2HG2 ILE 87 4.193 5.515 11.471 636 HG23 ILE 87 3HG2 ILE 87 4.891 4.324 12.568 637 HD11 ILE 87 3HD1 ILE 87 6.210 6.992 15.003 638 HD12 ILE 87 1HD1 ILE 87 5.487 5.392 15.165 639 HD13 ILE 87 2HD1 ILE 87 6.345 5.827 13.686 640 H HIS 88 H HIS 88 1.513 5.612 10.738 641 HA HIS 88 HA HIS 88 -0.327 3.443 11.507 642 HB2 HIS 88 1HB HIS 88 -0.452 5.513 9.367 643 HB3 HIS 88 2HB HIS 88 -1.127 3.926 9.013 644 HD1 HIS 88 1HD HIS 88 -2.974 3.097 10.866 645 HD2 HIS 88 2HD HIS 88 -2.164 7.167 10.661 646 HE1 HIS 88 1HE HIS 88 -4.917 4.227 11.996 647 HE2 HIS 88 2HE HIS 88 -4.446 6.692 11.784 648 H LYS 89 H LYS 89 0.418 1.479 11.102 649 HA LYS 89 HA LYS 89 2.469 1.134 9.028 650 HB2 LYS 89 1HB LYS 89 1.692 -0.615 11.368 651 HB3 LYS 89 2HB LYS 89 2.893 -1.057 10.161 652 HG2 LYS 89 1HG LYS 89 3.106 1.440 11.816 653 HG3 LYS 89 2HG LYS 89 3.768 -0.113 12.332 654 HD2 LYS 89 1HD LYS 89 5.134 -0.198 10.298 655 HD3 LYS 89 2HD LYS 89 4.476 1.360 9.793 656 HE2 LYS 89 1HE LYS 89 6.455 2.007 10.769 657 HE3 LYS 89 2HE LYS 89 5.343 2.148 12.130 658 HZ1 LYS 89 3HZ LYS 89 6.080 -0.315 12.519 659 HZ2 LYS 89 1HZ LYS 89 7.029 0.969 13.078 660 HZ3 LYS 89 2HZ LYS 89 7.448 0.167 11.649 661 H VAL 90 H VAL 90 1.528 0.697 7.126 662 HA VAL 90 HA VAL 90 -0.600 -1.343 7.073 663 HB VAL 90 HB VAL 90 -0.068 0.839 5.052 664 HG11 VAL 90 1HG1 VAL 90 -1.901 0.066 3.828 665 HG12 VAL 90 2HG1 VAL 90 -1.032 -1.406 4.267 666 HG13 VAL 90 3HG1 VAL 90 -2.482 -0.938 5.156 667 HG21 VAL 90 3HG2 VAL 90 -1.579 2.142 6.082 668 HG22 VAL 90 1HG2 VAL 90 -2.632 0.782 6.468 669 HG23 VAL 90 2HG2 VAL 90 -1.243 1.139 7.493 670 H THR 91 H THR 91 -0.223 -3.184 6.016 671 HA THR 91 HA THR 91 2.197 -3.341 4.341 672 HB THR 91 HB THR 91 0.868 -5.654 5.757 673 HG1 THR 91 1HG THR 91 1.948 -3.815 7.047 674 HG21 THR 91 3HG2 THR 91 2.915 -6.834 5.291 675 HG22 THR 91 1HG2 THR 91 3.649 -5.381 4.613 676 HG23 THR 91 2HG2 THR 91 2.301 -6.158 3.783 677 H VAL 92 H VAL 92 1.979 -3.895 2.266 678 HA VAL 92 HA VAL 92 -0.672 -4.784 1.351 679 HB VAL 92 HB VAL 92 1.536 -3.476 -0.245 680 HG11 VAL 92 1HG1 VAL 92 -1.310 -4.094 -1.030 681 HG12 VAL 92 2HG1 VAL 92 -0.082 -3.323 -2.037 682 HG13 VAL 92 3HG1 VAL 92 0.106 -5.008 -1.548 683 HG21 VAL 92 3HG2 VAL 92 -0.481 -2.373 1.473 684 HG22 VAL 92 1HG2 VAL 92 0.788 -1.548 0.567 685 HG23 VAL 92 2HG2 VAL 92 -0.770 -1.874 -0.194 686 H LEU 93 H LEU 93 -0.880 -6.518 -0.054 687 HA LEU 93 HA LEU 93 1.523 -8.197 -0.359 688 HB2 LEU 93 1HB LEU 93 -1.319 -8.944 0.256 689 HB3 LEU 93 2HB LEU 93 -0.171 -10.111 -0.395 690 HG LEU 93 HG LEU 93 0.117 -8.640 2.225 691 HD11 LEU 93 1HD1 LEU 93 -0.156 -11.564 2.169 692 HD12 LEU 93 2HD1 LEU 93 -1.606 -10.665 1.723 693 HD13 LEU 93 3HD1 LEU 93 -0.835 -10.377 3.283 694 HD21 LEU 93 3HD2 LEU 93 2.293 -9.080 1.698 695 HD22 LEU 93 1HD2 LEU 93 1.885 -10.455 0.672 696 HD23 LEU 93 2HD2 LEU 93 1.853 -10.625 2.428 697 H ALA 94 H ALA 94 2.058 -8.776 -2.365 698 HA ALA 94 HA ALA 94 0.051 -8.420 -4.495 699 HB1 ALA 94 3HB ALA 94 2.740 -7.343 -4.229 700 HB2 ALA 94 1HB ALA 94 2.487 -8.189 -5.756 701 HB3 ALA 94 2HB ALA 94 1.425 -6.857 -5.299 702 H SER 95 H SER 95 -0.494 -10.261 -5.441 703 HA SER 95 HA SER 95 1.509 -12.420 -5.582 704 HB2 SER 95 1HB SER 95 -0.323 -12.962 -4.021 705 HB3 SER 95 2HB SER 95 -1.494 -12.709 -5.315 706 HG SER 95 HG SER 95 -0.970 -14.577 -6.172 707 H ASP 96 H ASP 96 1.974 -13.196 -7.541 708 HA ASP 96 HA ASP 96 0.182 -12.493 -9.773 709 HB2 ASP 96 1HB ASP 96 2.262 -12.428 -11.193 710 HB3 ASP 96 2HB ASP 96 2.140 -11.138 -10.000 711 H GLY 97 H GLY 97 2.840 -14.707 -8.890 712 HA2 GLY 97 1HA GLY 97 1.327 -17.032 -9.509 713 HA3 GLY 97 2HA GLY 97 2.410 -16.636 -10.835 714 H SER 98 H SER 98 2.807 -16.434 -7.305 715 HA SER 98 HA SER 98 4.987 -18.393 -7.506 716 HB2 SER 98 1HB SER 98 5.751 -15.920 -7.433 717 HB3 SER 98 2HB SER 98 5.245 -15.966 -5.744 718 HG SER 98 HG SER 98 7.530 -16.775 -6.731 719 H SER 99 H SER 99 5.725 -19.033 -5.210 720 HA SER 99 HA SER 99 3.542 -20.206 -3.889 721 HB2 SER 99 1HB SER 99 5.855 -21.106 -3.829 722 HB3 SER 99 2HB SER 99 6.333 -19.752 -2.805 723 HG SER 99 HG SER 99 4.653 -21.928 -2.212 724 H THR 100 H THR 100 5.761 -17.709 -2.633 725 HA THR 100 HA THR 100 3.581 -16.785 -0.881 726 HB THR 100 HB THR 100 6.572 -16.495 -0.541 727 HG1 THR 100 1HG THR 100 5.824 -17.714 1.480 728 HG21 THR 100 3HG2 THR 100 6.212 -15.240 1.393 729 HG22 THR 100 1HG2 THR 100 4.513 -15.701 1.493 730 HG23 THR 100 2HG2 THR 100 5.048 -14.565 0.254 731 HA PRO 101 HA PRO 101 3.440 -13.020 -3.176 732 HB2 PRO 101 1HB PRO 101 2.191 -11.478 -1.324 733 HB3 PRO 101 2HB PRO 101 1.355 -12.724 -2.259 734 HG2 PRO 101 1HG PRO 101 2.423 -12.848 0.535 735 HG3 PRO 101 2HG PRO 101 0.880 -13.448 -0.100 736 HD2 PRO 101 1HD PRO 101 3.002 -15.071 0.345 737 HD3 PRO 101 2HD PRO 101 1.835 -15.362 -0.960 738 H ALA 102 H ALA 102 3.884 -10.600 -2.739 739 HA ALA 102 HA ALA 102 6.481 -10.432 -1.394 740 HB1 ALA 102 3HB ALA 102 5.726 -9.598 -3.870 741 HB2 ALA 102 1HB ALA 102 5.579 -8.109 -2.936 742 HB3 ALA 102 2HB ALA 102 7.115 -8.976 -2.978 743 H ARG 103 H ARG 103 6.766 -9.313 0.429 744 HA ARG 103 HA ARG 103 4.478 -7.935 1.586 745 HB2 ARG 103 1HB ARG 103 7.180 -8.632 2.751 746 HB3 ARG 103 2HB ARG 103 5.869 -7.869 3.640 747 HG2 ARG 103 1HG ARG 103 5.357 -10.458 2.266 748 HG3 ARG 103 2HG ARG 103 6.268 -10.450 3.777 749 HD2 ARG 103 1HD ARG 103 4.334 -8.991 4.668 750 HD3 ARG 103 2HD ARG 103 3.443 -9.590 3.270 751 HE ARG 103 HE ARG 103 3.177 -11.566 4.370 752 HH11 ARG 103 1HH1 ARG 103 5.911 -9.901 5.738 753 HH12 ARG 103 2HH1 ARG 103 6.164 -11.073 6.989 754 HH21 ARG 103 1HH2 ARG 103 3.500 -13.116 6.012 755 HH22 ARG 103 2HH2 ARG 103 4.793 -12.901 7.143 756 H ALA 104 H ALA 104 4.461 -5.788 2.206 757 HA ALA 104 HA ALA 104 6.781 -4.127 1.594 758 HB1 ALA 104 3HB ALA 104 5.096 -4.366 -0.402 759 HB2 ALA 104 1HB ALA 104 4.163 -3.189 0.524 760 HB3 ALA 104 2HB ALA 104 5.802 -2.801 -0.001 761 H THR 105 H THR 105 7.111 -2.896 3.313 762 HA THR 105 HA THR 105 4.831 -2.186 5.022 763 HB THR 105 HB THR 105 7.773 -1.982 5.685 764 HG1 THR 105 1HG THR 105 5.878 -4.016 6.327 765 HG21 THR 105 3HG2 THR 105 6.814 -0.626 7.250 766 HG22 THR 105 1HG2 THR 105 6.562 -2.177 8.049 767 HG23 THR 105 2HG2 THR 105 5.247 -1.428 7.144 768 H VAL 106 H VAL 106 4.197 -0.129 5.291 769 HA VAL 106 HA VAL 106 5.903 2.004 4.183 770 HB VAL 106 HB VAL 106 2.888 1.892 4.009 771 HG11 VAL 106 1HG1 VAL 106 4.722 3.822 2.617 772 HG12 VAL 106 2HG1 VAL 106 2.974 3.927 2.841 773 HG13 VAL 106 3HG1 VAL 106 4.056 4.151 4.216 774 HG21 VAL 106 3HG2 VAL 106 4.074 0.267 2.532 775 HG22 VAL 106 1HG2 VAL 106 3.144 1.487 1.662 776 HG23 VAL 106 2HG2 VAL 106 4.898 1.631 1.776 777 H THR 107 H THR 107 6.426 3.493 5.630 778 HA THR 107 HA THR 107 4.930 3.639 8.136 779 HB THR 107 HB THR 107 7.530 5.012 7.436 780 HG1 THR 107 1HG THR 107 8.118 2.932 7.452 781 HG21 THR 107 3HG2 THR 107 7.451 4.570 10.150 782 HG22 THR 107 1HG2 THR 107 5.781 4.993 9.775 783 HG23 THR 107 2HG2 THR 107 7.088 6.098 9.348 784 H ILE 108 H ILE 108 3.242 4.985 8.073 785 HA ILE 108 HA ILE 108 3.484 7.512 6.602 786 HB ILE 108 HB ILE 108 1.012 6.224 7.766 787 HG12 ILE 108 1HG1 ILE 108 1.694 6.461 4.844 788 HG13 ILE 108 2HG1 ILE 108 2.218 5.075 5.795 789 HG21 ILE 108 1HG2 ILE 108 0.905 8.680 7.592 790 HG22 ILE 108 2HG2 ILE 108 1.275 8.555 5.873 791 HG23 ILE 108 3HG2 ILE 108 -0.225 7.876 6.503 792 HD11 ILE 108 3HD1 ILE 108 0.130 4.217 5.944 793 HD12 ILE 108 1HD1 ILE 108 -0.646 5.800 5.925 794 HD13 ILE 108 2HD1 ILE 108 -0.047 5.092 4.424 795 H ASN 109 H ASN 109 4.430 8.987 7.896 796 HA ASN 109 HA ASN 109 3.780 9.140 10.714 797 HB2 ASN 109 1HB ASN 109 5.719 10.538 8.904 798 HB3 ASN 109 2HB ASN 109 5.338 11.233 10.477 799 HD21 ASN 109 1HD2 ASN 109 7.441 9.311 8.889 800 HD22 ASN 109 2HD2 ASN 109 8.039 8.369 10.208 801 H VAL 110 H VAL 110 2.327 10.455 11.614 802 HA VAL 110 HA VAL 110 0.861 12.294 9.877 803 HB VAL 110 HB VAL 110 0.226 11.331 12.670 804 HG11 VAL 110 1HG1 VAL 110 -2.100 12.287 11.598 805 HG12 VAL 110 2HG1 VAL 110 -1.066 13.160 12.731 806 HG13 VAL 110 3HG1 VAL 110 -0.911 13.442 10.997 807 HG21 VAL 110 3HG2 VAL 110 0.082 9.863 10.412 808 HG22 VAL 110 1HG2 VAL 110 -1.016 9.669 11.779 809 HG23 VAL 110 2HG2 VAL 110 -1.504 10.634 10.386 810 H THR 111 H THR 111 1.386 14.368 9.861 811 HA THR 111 HA THR 111 2.861 15.500 12.121 812 HB THR 111 HB THR 111 3.402 17.364 10.651 813 HG1 THR 111 1HG THR 111 1.876 16.012 8.658 814 HG21 THR 111 3HG2 THR 111 3.859 14.582 9.650 815 HG22 THR 111 1HG2 THR 111 5.000 15.708 10.382 816 HG23 THR 111 2HG2 THR 111 4.456 15.958 8.723 817 H ASP 112 H ASP 112 2.288 17.586 12.977 818 HA ASP 112 HA ASP 112 -0.474 17.822 13.556 819 HB2 ASP 112 1HB ASP 112 1.928 19.542 14.121 820 HB3 ASP 112 2HB ASP 112 0.306 20.083 14.547 821 H VAL 113 H VAL 113 -1.532 20.100 13.367 822 HA VAL 113 HA VAL 113 -0.976 21.380 10.806 823 HB VAL 113 HB VAL 113 -3.497 21.294 10.307 824 HG11 VAL 113 1HG1 VAL 113 -1.355 19.725 9.515 825 HG12 VAL 113 2HG1 VAL 113 -2.634 18.563 9.872 826 HG13 VAL 113 3HG1 VAL 113 -2.917 19.857 8.707 827 HG21 VAL 113 3HG2 VAL 113 -4.423 19.015 11.133 828 HG22 VAL 113 1HG2 VAL 113 -3.229 19.193 12.419 829 HG23 VAL 113 2HG2 VAL 113 -4.487 20.411 12.208 830 H ASN 114 H ASN 114 -0.973 23.494 11.144 831 HA ASN 114 HA ASN 114 -3.060 24.732 12.736 832 HB2 ASN 114 1HB ASN 114 -0.205 24.588 13.578 833 HB3 ASN 114 2HB ASN 114 -1.058 26.106 13.842 834 HD21 ASN 114 1HD2 ASN 114 -0.078 23.652 15.492 835 HD22 ASN 114 2HD2 ASN 114 -1.401 23.375 16.568 Start of MODEL 11 1 H1 GLY 1 H GLY 1 17.293 -10.633 -15.592 2 HA2 GLY 1 1HA GLY 1 17.475 -9.808 -17.752 3 HA3 GLY 1 2HA GLY 1 18.678 -11.044 -18.089 4 H SER 2 H SER 2 17.563 -13.372 -17.906 5 HA SER 2 HA SER 2 15.068 -13.257 -19.467 6 HB2 SER 2 1HB SER 2 15.875 -15.153 -20.814 7 HB3 SER 2 2HB SER 2 16.951 -13.764 -20.962 8 HG SER 2 HG SER 2 18.128 -15.682 -20.628 9 H SER 3 H SER 3 14.056 -15.546 -19.571 10 HA SER 3 HA SER 3 13.638 -16.378 -16.845 11 HB2 SER 3 1HB SER 3 11.697 -16.249 -18.256 12 HB3 SER 3 2HB SER 3 12.440 -17.295 -19.466 13 HG SER 3 HG SER 3 12.421 -18.964 -17.849 14 H GLY 4 H GLY 4 15.016 -17.723 -15.890 15 HA2 GLY 4 1HA GLY 4 16.287 -19.826 -17.518 16 HA3 GLY 4 2HA GLY 4 16.938 -19.179 -16.019 17 H SER 5 H SER 5 16.555 -21.940 -16.619 18 HA SER 5 HA SER 5 14.238 -22.740 -15.038 19 HB2 SER 5 1HB SER 5 14.908 -25.052 -15.695 20 HB3 SER 5 2HB SER 5 14.622 -23.995 -17.077 21 HG SER 5 HG SER 5 16.815 -25.361 -16.489 22 H SER 6 H SER 6 17.217 -21.701 -14.324 23 HA SER 6 HA SER 6 17.414 -23.440 -11.955 24 HB2 SER 6 1HB SER 6 19.230 -23.719 -13.794 25 HB3 SER 6 2HB SER 6 19.843 -22.176 -13.198 26 HG SER 6 HG SER 6 19.613 -23.387 -11.040 27 H GLY 7 H GLY 7 16.268 -21.952 -10.692 28 HA2 GLY 7 1HA GLY 7 16.328 -20.320 -9.041 29 HA3 GLY 7 2HA GLY 7 17.895 -19.805 -9.647 30 H ASN 8 H ASN 8 14.526 -19.219 -9.629 31 HA ASN 8 HA ASN 8 14.952 -16.796 -11.208 32 HB2 ASN 8 1HB ASN 8 12.786 -17.205 -12.416 33 HB3 ASN 8 2HB ASN 8 14.087 -18.304 -12.864 34 HD21 ASN 8 1HD2 ASN 8 14.125 -20.266 -11.208 35 HD22 ASN 8 2HD2 ASN 8 12.601 -21.066 -11.059 36 H ASP 9 H ASP 9 13.460 -15.121 -10.776 37 HA ASP 9 HA ASP 9 12.454 -15.138 -8.094 38 HB2 ASP 9 1HB ASP 9 11.624 -12.818 -8.745 39 HB3 ASP 9 2HB ASP 9 13.364 -13.079 -8.829 40 H ASN 10 H ASN 10 10.857 -14.543 -11.231 41 HA ASN 10 HA ASN 10 8.667 -14.716 -11.858 42 HB2 ASN 10 1HB ASN 10 9.552 -17.147 -11.548 43 HB3 ASN 10 2HB ASN 10 8.497 -17.172 -10.138 44 HD21 ASN 10 1HD2 ASN 10 8.521 -18.465 -12.908 45 HD22 ASN 10 2HD2 ASN 10 6.904 -18.236 -13.472 46 H ARG 11 H ARG 11 9.051 -13.054 -9.610 47 HA ARG 11 HA ARG 11 6.397 -13.259 -8.414 48 HB2 ARG 11 1HB ARG 11 8.983 -13.350 -6.920 49 HB3 ARG 11 2HB ARG 11 7.617 -12.512 -6.197 50 HG2 ARG 11 1HG ARG 11 6.287 -14.518 -6.267 51 HG3 ARG 11 2HG ARG 11 7.566 -15.372 -7.133 52 HD2 ARG 11 1HD ARG 11 7.842 -16.070 -4.930 53 HD3 ARG 11 2HD ARG 11 9.037 -14.787 -5.107 54 HE ARG 11 HE ARG 11 6.515 -13.865 -4.093 55 HH11 ARG 11 1HH1 ARG 11 9.583 -15.283 -3.255 56 HH12 ARG 11 2HH1 ARG 11 9.548 -14.711 -1.620 57 HH21 ARG 11 1HH2 ARG 11 6.458 -13.107 -1.942 58 HH22 ARG 11 2HH2 ARG 11 7.769 -13.474 -0.874 59 HA PRO 12 HA PRO 12 6.322 -8.920 -9.096 60 HB2 PRO 12 1HB PRO 12 4.555 -8.152 -7.183 61 HB3 PRO 12 2HB PRO 12 4.071 -9.022 -8.644 62 HG2 PRO 12 1HG PRO 12 4.540 -10.074 -5.881 63 HG3 PRO 12 2HG PRO 12 3.238 -10.463 -7.020 64 HD2 PRO 12 1HD PRO 12 5.383 -12.075 -6.654 65 HD3 PRO 12 2HD PRO 12 4.552 -11.931 -8.216 66 H VAL 13 H VAL 13 8.243 -7.976 -8.592 67 HA VAL 13 HA VAL 13 9.094 -7.705 -5.834 68 HB VAL 13 HB VAL 13 10.366 -6.700 -8.384 69 HG11 VAL 13 1HG1 VAL 13 12.402 -6.657 -6.744 70 HG12 VAL 13 2HG1 VAL 13 11.277 -5.299 -6.801 71 HG13 VAL 13 3HG1 VAL 13 11.150 -6.497 -5.513 72 HG21 VAL 13 3HG2 VAL 13 10.175 -9.217 -7.971 73 HG22 VAL 13 1HG2 VAL 13 11.778 -8.568 -8.315 74 HG23 VAL 13 2HG2 VAL 13 11.324 -8.963 -6.658 75 H PHE 14 H PHE 14 9.056 -5.883 -4.625 76 HA PHE 14 HA PHE 14 7.412 -3.696 -5.583 77 HB2 PHE 14 1HB PHE 14 8.441 -4.591 -2.932 78 HB3 PHE 14 2HB PHE 14 8.021 -2.892 -3.122 79 HD1 PHE 14 1HD PHE 14 5.672 -2.760 -4.641 80 HD2 PHE 14 2HD PHE 14 6.806 -5.757 -1.840 81 HE1 PHE 14 1HE PHE 14 3.302 -3.302 -4.267 82 HE2 PHE 14 2HE PHE 14 4.438 -6.305 -1.463 83 HZ PHE 14 HZ PHE 14 2.682 -5.078 -2.677 84 H LYS 15 H LYS 15 8.043 -1.517 -5.628 85 HA LYS 15 HA LYS 15 10.632 -1.026 -6.625 86 HB2 LYS 15 1HB LYS 15 8.351 0.302 -6.853 87 HB3 LYS 15 2HB LYS 15 9.001 1.203 -5.490 88 HG2 LYS 15 1HG LYS 15 10.760 2.055 -6.720 89 HG3 LYS 15 2HG LYS 15 10.672 0.770 -7.928 90 HD2 LYS 15 1HD LYS 15 9.740 2.511 -9.098 91 HD3 LYS 15 2HD LYS 15 8.294 1.800 -8.377 92 HE2 LYS 15 1HE LYS 15 8.101 3.491 -6.795 93 HE3 LYS 15 2HE LYS 15 9.791 3.967 -6.954 94 HZ1 LYS 15 3HZ LYS 15 9.182 4.686 -9.278 95 HZ2 LYS 15 1HZ LYS 15 8.552 5.627 -8.022 96 HZ3 LYS 15 2HZ LYS 15 7.562 4.513 -8.823 97 H GLU 16 H GLU 16 9.135 -0.140 -3.517 98 HA GLU 16 HA GLU 16 11.809 -0.122 -2.318 99 HB2 GLU 16 1HB GLU 16 9.843 2.132 -2.360 100 HB3 GLU 16 2HB GLU 16 10.864 1.915 -0.945 101 HG2 GLU 16 1HG GLU 16 11.981 3.460 -2.309 102 HG3 GLU 16 2HG GLU 16 12.836 1.933 -2.518 103 H GLY 17 H GLY 17 11.711 -1.689 -0.846 104 HA2 GLY 17 1HA GLY 17 9.506 -2.877 0.264 105 HA3 GLY 17 2HA GLY 17 11.070 -2.806 1.062 106 H GLN 18 H GLN 18 11.414 -0.298 1.825 107 HA GLN 18 HA GLN 18 9.027 0.332 3.434 108 HB2 GLN 18 1HB GLN 18 11.103 -0.656 4.614 109 HB3 GLN 18 2HB GLN 18 11.835 0.919 4.334 110 HG2 GLN 18 1HG GLN 18 10.009 1.978 5.578 111 HG3 GLN 18 2HG GLN 18 9.307 0.389 5.880 112 HE21 GLN 18 1HE2 GLN 18 9.993 2.127 7.921 113 HE22 GLN 18 2HE2 GLN 18 11.311 1.456 8.814 114 H VAL 19 H VAL 19 8.356 2.413 3.514 115 HA VAL 19 HA VAL 19 10.079 4.537 2.508 116 HB VAL 19 HB VAL 19 7.352 4.025 1.312 117 HG11 VAL 19 1HG1 VAL 19 8.278 6.433 1.645 118 HG12 VAL 19 2HG1 VAL 19 9.331 6.017 0.292 119 HG13 VAL 19 3HG1 VAL 19 7.579 5.973 0.093 120 HG21 VAL 19 3HG2 VAL 19 8.816 2.422 0.376 121 HG22 VAL 19 1HG2 VAL 19 8.714 3.730 -0.803 122 HG23 VAL 19 2HG2 VAL 19 10.129 3.591 0.239 123 H GLU 20 H GLU 20 9.883 6.278 3.752 124 HA GLU 20 HA GLU 20 7.623 6.438 5.598 125 HB2 GLU 20 1HB GLU 20 10.193 6.705 6.160 126 HB3 GLU 20 2HB GLU 20 9.902 8.367 5.665 127 HG2 GLU 20 1HG GLU 20 8.256 8.662 7.364 128 HG3 GLU 20 2HG GLU 20 8.292 6.947 7.769 129 H VAL 21 H VAL 21 6.076 7.953 5.486 130 HA VAL 21 HA VAL 21 6.439 10.177 3.589 131 HB VAL 21 HB VAL 21 4.042 9.996 2.994 132 HG11 VAL 21 1HG1 VAL 21 5.570 7.454 2.451 133 HG12 VAL 21 2HG1 VAL 21 4.276 8.145 1.470 134 HG13 VAL 21 3HG1 VAL 21 5.825 8.980 1.605 135 HG21 VAL 21 3HG2 VAL 21 3.613 8.622 5.178 136 HG22 VAL 21 1HG2 VAL 21 2.647 8.320 3.733 137 HG23 VAL 21 2HG2 VAL 21 3.981 7.242 4.145 138 H HIS 22 H HIS 22 5.376 12.115 4.096 139 HA HIS 22 HA HIS 22 4.491 12.306 6.899 140 HB2 HIS 22 1HB HIS 22 6.095 14.126 5.157 141 HB3 HIS 22 2HB HIS 22 5.079 14.839 6.407 142 HD1 HIS 22 1HD HIS 22 8.319 14.664 6.250 143 HD2 HIS 22 2HD HIS 22 5.768 12.499 8.712 144 HE1 HIS 22 1HE HIS 22 9.722 13.953 8.212 145 HE2 HIS 22 2HE HIS 22 8.179 12.573 9.646 146 H ILE 23 H ILE 23 2.328 12.274 6.911 147 HA ILE 23 HA ILE 23 0.920 14.067 5.042 148 HB ILE 23 HB ILE 23 0.532 11.584 4.696 149 HG12 ILE 23 1HG1 ILE 23 -1.831 13.349 5.371 150 HG13 ILE 23 2HG1 ILE 23 -1.001 13.273 3.821 151 HG21 ILE 23 1HG2 ILE 23 0.441 11.210 7.237 152 HG22 ILE 23 2HG2 ILE 23 -1.231 11.753 7.113 153 HG23 ILE 23 3HG2 ILE 23 -0.700 10.326 6.223 154 HD11 ILE 23 3HD1 ILE 23 -2.453 11.734 3.193 155 HD12 ILE 23 1HD1 ILE 23 -1.772 10.649 4.405 156 HD13 ILE 23 2HD1 ILE 23 -3.152 11.670 4.811 157 HA PRO 24 HA PRO 24 -0.500 16.171 8.656 158 HB2 PRO 24 1HB PRO 24 -2.514 17.575 7.497 159 HB3 PRO 24 2HB PRO 24 -0.808 17.986 7.281 160 HG2 PRO 24 1HG PRO 24 -2.635 16.463 5.463 161 HG3 PRO 24 2HG PRO 24 -1.444 17.714 5.061 162 HD2 PRO 24 1HD PRO 24 -0.948 15.072 4.733 163 HD3 PRO 24 2HD PRO 24 0.324 16.238 5.151 164 H GLU 25 H GLU 25 -2.415 16.384 9.991 165 HA GLU 25 HA GLU 25 -4.018 13.982 9.941 166 HB2 GLU 25 1HB GLU 25 -4.875 14.758 12.099 167 HB3 GLU 25 2HB GLU 25 -3.118 14.803 12.062 168 HG2 GLU 25 1HG GLU 25 -3.305 17.250 11.502 169 HG3 GLU 25 2HG GLU 25 -5.025 17.115 11.865 170 H ASN 26 H ASN 26 -4.324 17.217 8.885 171 HA ASN 26 HA ASN 26 -7.248 16.982 8.713 172 HB2 ASN 26 1HB ASN 26 -6.503 19.013 9.811 173 HB3 ASN 26 2HB ASN 26 -5.445 19.397 8.456 174 HD21 ASN 26 1HD2 ASN 26 -6.449 21.377 8.130 175 HD22 ASN 26 2HD2 ASN 26 -8.021 21.506 7.426 176 H ALA 27 H ALA 27 -5.066 15.786 6.946 177 HA ALA 27 HA ALA 27 -5.007 17.014 4.449 178 HB1 ALA 27 3HB ALA 27 -4.236 14.499 5.555 179 HB2 ALA 27 1HB ALA 27 -5.047 14.226 4.012 180 HB3 ALA 27 2HB ALA 27 -3.648 15.298 4.097 181 HA PRO 28 HA PRO 28 -9.099 16.598 2.878 182 HB2 PRO 28 1HB PRO 28 -8.555 16.713 0.221 183 HB3 PRO 28 2HB PRO 28 -8.478 18.127 1.279 184 HG2 PRO 28 1HG PRO 28 -6.258 16.382 0.285 185 HG3 PRO 28 2HG PRO 28 -6.319 18.149 0.415 186 HD2 PRO 28 1HD PRO 28 -5.051 16.598 2.236 187 HD3 PRO 28 2HD PRO 28 -5.844 18.126 2.670 188 H VAL 29 H VAL 29 -10.486 15.079 2.002 189 HA VAL 29 HA VAL 29 -9.580 12.385 1.960 190 HB VAL 29 HB VAL 29 -12.230 13.548 1.092 191 HG11 VAL 29 1HG1 VAL 29 -13.118 11.368 1.056 192 HG12 VAL 29 2HG1 VAL 29 -11.602 11.268 0.158 193 HG13 VAL 29 3HG1 VAL 29 -11.683 10.684 1.821 194 HG21 VAL 29 3HG2 VAL 29 -11.547 13.881 3.486 195 HG22 VAL 29 1HG2 VAL 29 -13.039 12.970 3.255 196 HG23 VAL 29 2HG2 VAL 29 -11.544 12.126 3.658 197 H GLY 30 H GLY 30 -8.548 11.415 0.350 198 HA2 GLY 30 1HA GLY 30 -8.840 10.573 -1.958 199 HA3 GLY 30 2HA GLY 30 -9.204 12.231 -2.415 200 H THR 31 H THR 31 -6.829 12.394 -0.145 201 HA THR 31 HA THR 31 -4.855 13.220 -1.998 202 HB THR 31 HB THR 31 -4.281 12.461 0.860 203 HG1 THR 31 1HG THR 31 -4.974 14.585 1.393 204 HG21 THR 31 3HG2 THR 31 -2.933 14.736 0.393 205 HG22 THR 31 1HG2 THR 31 -2.984 14.086 -1.245 206 HG23 THR 31 2HG2 THR 31 -2.268 13.138 0.058 207 H SER 32 H SER 32 -2.786 12.300 -2.406 208 HA SER 32 HA SER 32 -2.864 9.385 -2.500 209 HB2 SER 32 1HB SER 32 -0.955 9.609 -4.058 210 HB3 SER 32 2HB SER 32 -2.345 10.560 -4.581 211 HG SER 32 HG SER 32 -0.188 11.624 -3.080 212 H VAL 33 H VAL 33 -1.838 8.192 -1.051 213 HA VAL 33 HA VAL 33 0.114 9.433 0.722 214 HB VAL 33 HB VAL 33 -1.137 6.684 0.811 215 HG11 VAL 33 1HG1 VAL 33 1.200 7.618 2.056 216 HG12 VAL 33 2HG1 VAL 33 -0.048 7.590 3.304 217 HG13 VAL 33 3HG1 VAL 33 0.321 6.127 2.390 218 HG21 VAL 33 3HG2 VAL 33 -2.911 7.848 1.537 219 HG22 VAL 33 1HG2 VAL 33 -1.982 8.052 3.022 220 HG23 VAL 33 2HG2 VAL 33 -1.964 9.314 1.791 221 H ILE 34 H ILE 34 -0.024 6.204 -0.779 222 HA ILE 34 HA ILE 34 2.739 6.564 -1.696 223 HB ILE 34 HB ILE 34 2.879 5.353 0.423 224 HG12 ILE 34 1HG1 ILE 34 3.877 3.162 -0.576 225 HG13 ILE 34 2HG1 ILE 34 3.492 3.895 -2.130 226 HG21 ILE 34 1HG2 ILE 34 1.333 3.096 -0.801 227 HG22 ILE 34 2HG2 ILE 34 1.758 3.361 0.889 228 HG23 ILE 34 3HG2 ILE 34 0.530 4.367 0.121 229 HD11 ILE 34 3HD1 ILE 34 5.824 4.215 -0.775 230 HD12 ILE 34 1HD1 ILE 34 5.210 5.311 -2.013 231 HD13 ILE 34 2HD1 ILE 34 4.932 5.663 -0.307 232 H GLN 35 H GLN 35 3.241 5.555 -3.599 233 HA GLN 35 HA GLN 35 1.025 4.149 -4.935 234 HB2 GLN 35 1HB GLN 35 1.542 6.268 -6.007 235 HB3 GLN 35 2HB GLN 35 3.241 5.828 -6.122 236 HG2 GLN 35 1HG GLN 35 2.894 4.371 -7.851 237 HG3 GLN 35 2HG GLN 35 1.218 4.062 -7.398 238 HE21 GLN 35 1HE2 GLN 35 0.084 4.597 -9.140 239 HE22 GLN 35 2HE2 GLN 35 0.162 6.117 -9.958 240 H LEU 36 H LEU 36 1.492 2.042 -4.514 241 HA LEU 36 HA LEU 36 4.195 1.041 -4.881 242 HB2 LEU 36 1HB LEU 36 1.627 -0.260 -4.004 243 HB3 LEU 36 2HB LEU 36 3.133 -1.148 -4.226 244 HG LEU 36 HG LEU 36 2.962 1.181 -2.341 245 HD11 LEU 36 1HD1 LEU 36 1.549 -1.285 -2.096 246 HD12 LEU 36 2HD1 LEU 36 1.639 0.062 -0.962 247 HD13 LEU 36 3HD1 LEU 36 2.834 -1.232 -0.890 248 HD21 LEU 36 3HD2 LEU 36 5.009 0.545 -1.653 249 HD22 LEU 36 1HD2 LEU 36 5.085 -0.232 -3.235 250 HD23 LEU 36 2HD2 LEU 36 4.644 -1.174 -1.811 251 H HIS 37 H HIS 37 4.895 -0.186 -6.549 252 HA HIS 37 HA HIS 37 2.948 -1.052 -8.567 253 HB2 HIS 37 1HB HIS 37 4.275 1.187 -9.050 254 HB3 HIS 37 2HB HIS 37 5.557 0.066 -9.501 255 HD1 HIS 37 1HD HIS 37 3.056 1.936 -11.051 256 HD2 HIS 37 2HD HIS 37 4.238 -2.034 -11.375 257 HE1 HIS 37 1HE HIS 37 2.194 1.158 -13.281 258 HE2 HIS 37 2HE HIS 37 2.847 -1.271 -13.417 259 H ALA 38 H ALA 38 3.243 -3.094 -9.177 260 HA ALA 38 HA ALA 38 5.912 -4.293 -8.881 261 HB1 ALA 38 3HB ALA 38 3.352 -5.670 -8.085 262 HB2 ALA 38 1HB ALA 38 4.995 -6.291 -7.918 263 HB3 ALA 38 2HB ALA 38 4.471 -4.909 -6.954 264 H THR 39 H THR 39 6.560 -5.504 -10.561 265 HA THR 39 HA THR 39 4.548 -6.309 -12.555 266 HB THR 39 HB THR 39 6.301 -5.867 -14.318 267 HG1 THR 39 1HG THR 39 7.891 -4.246 -13.607 268 HG21 THR 39 3HG2 THR 39 5.472 -3.777 -14.696 269 HG22 THR 39 1HG2 THR 39 5.740 -3.250 -13.035 270 HG23 THR 39 2HG2 THR 39 4.358 -4.274 -13.423 271 H ASP 40 H ASP 40 5.278 -8.059 -13.990 272 HA ASP 40 HA ASP 40 7.462 -9.696 -12.953 273 HB2 ASP 40 1HB ASP 40 5.243 -10.337 -11.844 274 HB3 ASP 40 2HB ASP 40 4.756 -10.934 -13.429 275 H ALA 41 H ALA 41 8.214 -11.292 -14.430 276 HA ALA 41 HA ALA 41 8.150 -10.476 -17.135 277 HB1 ALA 41 3HB ALA 41 9.085 -13.155 -16.134 278 HB2 ALA 41 1HB ALA 41 9.618 -12.285 -17.573 279 HB3 ALA 41 2HB ALA 41 10.032 -11.677 -15.970 280 H ASP 42 H ASP 42 5.787 -10.491 -17.423 281 HA ASP 42 HA ASP 42 4.680 -13.171 -17.892 282 HB2 ASP 42 1HB ASP 42 3.237 -10.515 -17.744 283 HB3 ASP 42 2HB ASP 42 2.485 -12.103 -17.878 284 H ILE 43 H ILE 43 5.571 -13.641 -19.888 285 HA ILE 43 HA ILE 43 5.053 -11.781 -22.091 286 HB ILE 43 HB ILE 43 6.416 -13.648 -23.349 287 HG12 ILE 43 1HG1 ILE 43 7.557 -13.972 -20.581 288 HG13 ILE 43 2HG1 ILE 43 6.331 -15.072 -21.202 289 HG21 ILE 43 1HG2 ILE 43 7.721 -11.852 -23.446 290 HG22 ILE 43 2HG2 ILE 43 7.111 -11.257 -21.903 291 HG23 ILE 43 3HG2 ILE 43 8.466 -12.385 -21.939 292 HD11 ILE 43 3HD1 ILE 43 7.803 -16.166 -22.461 293 HD12 ILE 43 1HD1 ILE 43 8.560 -14.680 -23.033 294 HD13 ILE 43 2HD1 ILE 43 9.030 -15.368 -21.478 295 H GLY 44 H GLY 44 2.875 -12.081 -22.494 296 HA2 GLY 44 1HA GLY 44 1.772 -13.484 -24.329 297 HA3 GLY 44 2HA GLY 44 2.033 -14.814 -23.211 298 H SER 45 H SER 45 1.266 -14.010 -20.836 299 HA SER 45 HA SER 45 -1.453 -12.928 -21.182 300 HB2 SER 45 1HB SER 45 -0.690 -15.139 -19.263 301 HB3 SER 45 2HB SER 45 -2.312 -14.534 -19.599 302 HG SER 45 HG SER 45 -1.984 -16.412 -20.772 303 H ASN 46 H ASN 46 -1.709 -11.110 -20.084 304 HA ASN 46 HA ASN 46 0.153 -10.235 -18.112 305 HB2 ASN 46 1HB ASN 46 -1.208 -8.244 -17.960 306 HB3 ASN 46 2HB ASN 46 -1.072 -8.704 -19.655 307 HD21 ASN 46 1HD2 ASN 46 -3.149 -7.635 -17.380 308 HD22 ASN 46 2HD2 ASN 46 -4.641 -8.193 -18.050 309 H ALA 47 H ALA 47 0.071 -10.348 -15.946 310 HA ALA 47 HA ALA 47 -2.223 -11.743 -14.755 311 HB1 ALA 47 3HB ALA 47 -0.816 -12.699 -13.242 312 HB2 ALA 47 1HB ALA 47 0.322 -12.456 -14.567 313 HB3 ALA 47 2HB ALA 47 0.280 -11.318 -13.219 314 H GLU 48 H GLU 48 -3.634 -10.033 -14.431 315 HA GLU 48 HA GLU 48 -3.054 -7.508 -13.466 316 HB2 GLU 48 1HB GLU 48 -5.310 -8.672 -14.260 317 HB3 GLU 48 2HB GLU 48 -5.557 -8.824 -12.526 318 HG2 GLU 48 1HG GLU 48 -4.885 -6.255 -12.603 319 HG3 GLU 48 2HG GLU 48 -5.526 -6.412 -14.238 320 H ILE 49 H ILE 49 -1.454 -7.652 -11.864 321 HA ILE 49 HA ILE 49 -1.651 -9.175 -9.513 322 HB ILE 49 HB ILE 49 -0.171 -6.585 -9.985 323 HG12 ILE 49 1HG1 ILE 49 0.965 -9.376 -9.909 324 HG13 ILE 49 2HG1 ILE 49 0.368 -8.657 -11.401 325 HG21 ILE 49 1HG2 ILE 49 -0.196 -8.494 -7.681 326 HG22 ILE 49 2HG2 ILE 49 1.248 -7.555 -8.053 327 HG23 ILE 49 3HG2 ILE 49 -0.264 -6.732 -7.672 328 HD11 ILE 49 3HD1 ILE 49 2.287 -7.608 -11.694 329 HD12 ILE 49 1HD1 ILE 49 2.138 -6.824 -10.122 330 HD13 ILE 49 2HD1 ILE 49 2.914 -8.403 -10.250 331 H ARG 50 H ARG 50 -3.064 -9.014 -7.915 332 HA ARG 50 HA ARG 50 -4.498 -6.498 -7.509 333 HB2 ARG 50 1HB ARG 50 -4.997 -9.336 -6.644 334 HB3 ARG 50 2HB ARG 50 -5.863 -7.992 -5.911 335 HG2 ARG 50 1HG ARG 50 -5.835 -8.595 -8.860 336 HG3 ARG 50 2HG ARG 50 -7.102 -9.101 -7.740 337 HD2 ARG 50 1HD ARG 50 -7.288 -6.616 -7.136 338 HD3 ARG 50 2HD ARG 50 -6.353 -6.326 -8.603 339 HE ARG 50 HE ARG 50 -8.213 -6.815 -9.845 340 HH11 ARG 50 1HH1 ARG 50 -8.697 -7.913 -6.577 341 HH12 ARG 50 2HH1 ARG 50 -10.369 -8.302 -6.817 342 HH21 ARG 50 1HH2 ARG 50 -10.412 -7.324 -10.174 343 HH22 ARG 50 2HH2 ARG 50 -11.343 -7.968 -8.864 344 H TYR 51 H TYR 51 -4.523 -5.393 -5.575 345 HA TYR 51 HA TYR 51 -2.459 -6.200 -3.633 346 HB2 TYR 51 1HB TYR 51 -3.478 -3.411 -4.213 347 HB3 TYR 51 2HB TYR 51 -2.181 -3.837 -3.102 348 HD1 TYR 51 1HD TYR 51 -3.126 -3.456 -6.619 349 HD2 TYR 51 2HD TYR 51 0.013 -4.465 -3.931 350 HE1 TYR 51 1HE TYR 51 -1.498 -3.240 -8.450 351 HE2 TYR 51 2HE TYR 51 1.651 -4.250 -5.754 352 HH TYR 51 HH TYR 51 0.638 -3.697 -9.077 353 H ILE 52 H ILE 52 -3.304 -7.005 -1.837 354 HA ILE 52 HA ILE 52 -5.791 -5.813 -0.796 355 HB ILE 52 HB ILE 52 -6.290 -7.994 0.248 356 HG12 ILE 52 1HG1 ILE 52 -4.164 -9.198 -1.508 357 HG13 ILE 52 2HG1 ILE 52 -3.804 -8.692 0.139 358 HG21 ILE 52 1HG2 ILE 52 -7.569 -8.033 -1.585 359 HG22 ILE 52 2HG2 ILE 52 -6.265 -7.445 -2.615 360 HG23 ILE 52 3HG2 ILE 52 -6.378 -9.162 -2.230 361 HD11 ILE 52 3HD1 ILE 52 -6.171 -10.280 0.148 362 HD12 ILE 52 1HD1 ILE 52 -4.898 -11.127 -0.732 363 HD13 ILE 52 2HD1 ILE 52 -4.617 -10.588 0.924 364 H PHE 53 H PHE 53 -6.041 -5.928 1.557 365 HA PHE 53 HA PHE 53 -3.737 -4.966 2.891 366 HB2 PHE 53 1HB PHE 53 -6.494 -5.742 3.817 367 HB3 PHE 53 2HB PHE 53 -5.254 -5.233 4.958 368 HD1 PHE 53 2HD PHE 53 -4.090 -2.961 4.414 369 HD2 PHE 53 1HD PHE 53 -7.869 -4.161 2.865 370 HE1 PHE 53 2HE PHE 53 -4.655 -0.607 3.978 371 HE2 PHE 53 1HE PHE 53 -8.440 -1.808 2.426 372 HZ PHE 53 HZ PHE 53 -6.833 -0.027 2.984 373 H GLY 54 H GLY 54 -2.234 -5.972 4.086 374 HA2 GLY 54 1HA GLY 54 -1.854 -8.735 3.954 375 HA3 GLY 54 2HA GLY 54 -1.043 -7.660 5.084 376 H ALA 55 H ALA 55 -1.203 -9.655 6.433 377 HA ALA 55 HA ALA 55 -3.855 -10.078 7.596 378 HB1 ALA 55 3HB ALA 55 -2.351 -11.871 8.884 379 HB2 ALA 55 1HB ALA 55 -3.049 -12.173 7.293 380 HB3 ALA 55 2HB ALA 55 -1.365 -11.667 7.436 381 H GLN 56 H GLN 56 -4.139 -10.095 9.904 382 HA GLN 56 HA GLN 56 -4.002 -9.163 11.974 383 HB2 GLN 56 1HB GLN 56 -1.058 -9.246 11.307 384 HB3 GLN 56 2HB GLN 56 -1.684 -8.785 12.884 385 HG2 GLN 56 1HG GLN 56 -2.790 -11.005 13.027 386 HG3 GLN 56 2HG GLN 56 -1.980 -11.451 11.526 387 HE21 GLN 56 1HE2 GLN 56 -1.838 -11.960 14.667 388 HE22 GLN 56 2HE2 GLN 56 -0.135 -12.120 14.907 389 H VAL 57 H VAL 57 -4.653 -7.436 9.903 390 HA VAL 57 HA VAL 57 -3.217 -4.955 10.564 391 HB VAL 57 HB VAL 57 -5.021 -5.553 8.216 392 HG11 VAL 57 1HG1 VAL 57 -4.877 -3.149 9.216 393 HG12 VAL 57 2HG1 VAL 57 -3.294 -3.127 8.437 394 HG13 VAL 57 3HG1 VAL 57 -4.749 -3.388 7.474 395 HG21 VAL 57 3HG2 VAL 57 -2.159 -5.860 8.672 396 HG22 VAL 57 1HG2 VAL 57 -3.179 -6.514 7.391 397 HG23 VAL 57 2HG2 VAL 57 -2.532 -4.879 7.255 398 H ALA 58 H ALA 58 -4.168 -3.678 11.995 399 HA ALA 58 HA ALA 58 -6.631 -3.992 13.153 400 HB1 ALA 58 3HB ALA 58 -4.952 -1.530 12.777 401 HB2 ALA 58 1HB ALA 58 -6.457 -1.508 13.696 402 HB3 ALA 58 2HB ALA 58 -5.123 -2.540 14.213 403 HA PRO 59 HA PRO 59 -9.663 -2.771 10.209 404 HB2 PRO 59 1HB PRO 59 -11.645 -1.992 11.894 405 HB3 PRO 59 2HB PRO 59 -11.211 -3.687 11.639 406 HG2 PRO 59 1HG PRO 59 -10.433 -1.847 13.869 407 HG3 PRO 59 2HG PRO 59 -10.946 -3.543 13.945 408 HD2 PRO 59 1HD PRO 59 -8.347 -2.799 14.090 409 HD3 PRO 59 2HD PRO 59 -8.862 -4.331 13.355 410 H ALA 60 H ALA 60 -8.940 -0.528 12.854 411 HA ALA 60 HA ALA 60 -10.162 1.758 11.810 412 HB1 ALA 60 3HB ALA 60 -8.172 1.169 13.874 413 HB2 ALA 60 1HB ALA 60 -8.017 2.773 13.155 414 HB3 ALA 60 2HB ALA 60 -9.540 2.282 13.898 415 H THR 61 H THR 61 -6.828 0.584 11.429 416 HA THR 61 HA THR 61 -5.859 2.696 9.878 417 HB THR 61 HB THR 61 -5.018 -0.204 9.705 418 HG1 THR 61 1HG THR 61 -3.332 0.748 11.207 419 HG21 THR 61 3HG2 THR 61 -4.021 0.914 7.895 420 HG22 THR 61 1HG2 THR 61 -2.787 0.932 9.154 421 HG23 THR 61 2HG2 THR 61 -3.746 2.378 8.837 422 H LYS 62 H LYS 62 -7.493 -0.295 8.928 423 HA LYS 62 HA LYS 62 -7.222 0.094 6.132 424 HB2 LYS 62 1HB LYS 62 -8.892 -1.660 7.882 425 HB3 LYS 62 2HB LYS 62 -9.320 -1.511 6.183 426 HG2 LYS 62 1HG LYS 62 -7.170 -2.335 5.509 427 HG3 LYS 62 2HG LYS 62 -6.600 -2.330 7.180 428 HD2 LYS 62 1HD LYS 62 -9.035 -3.904 6.466 429 HD3 LYS 62 2HD LYS 62 -7.440 -4.548 6.069 430 HE2 LYS 62 1HE LYS 62 -6.786 -4.611 8.325 431 HE3 LYS 62 2HE LYS 62 -8.108 -3.557 8.824 432 HZ1 LYS 62 3HZ LYS 62 -8.153 -6.420 8.194 433 HZ2 LYS 62 1HZ LYS 62 -9.546 -5.508 7.897 434 HZ3 LYS 62 2HZ LYS 62 -8.902 -5.585 9.459 435 H ARG 63 H ARG 63 -9.449 1.284 8.513 436 HA ARG 63 HA ARG 63 -11.501 2.060 6.680 437 HB2 ARG 63 1HB ARG 63 -10.919 2.536 9.568 438 HB3 ARG 63 2HB ARG 63 -12.059 3.605 8.761 439 HG2 ARG 63 1HG ARG 63 -13.393 1.649 8.097 440 HG3 ARG 63 2HG ARG 63 -12.266 0.609 8.971 441 HD2 ARG 63 1HD ARG 63 -13.618 2.900 10.346 442 HD3 ARG 63 2HD ARG 63 -14.453 1.362 10.133 443 HE ARG 63 HE ARG 63 -11.852 1.051 11.280 444 HH11 ARG 63 1HH1 ARG 63 -15.171 1.833 11.979 445 HH12 ARG 63 2HH1 ARG 63 -15.076 1.334 13.635 446 HH21 ARG 63 1HH2 ARG 63 -11.714 0.391 13.459 447 HH22 ARG 63 2HH2 ARG 63 -13.109 0.514 14.476 448 H LEU 64 H LEU 64 -9.013 3.878 8.470 449 HA LEU 64 HA LEU 64 -9.561 6.386 7.362 450 HB2 LEU 64 1HB LEU 64 -7.210 5.140 8.693 451 HB3 LEU 64 2HB LEU 64 -6.986 6.682 7.871 452 HG LEU 64 HG LEU 64 -7.355 7.090 10.204 453 HD11 LEU 64 1HD1 LEU 64 -9.144 8.637 10.091 454 HD12 LEU 64 2HD1 LEU 64 -9.939 7.732 8.804 455 HD13 LEU 64 3HD1 LEU 64 -8.426 8.579 8.481 456 HD21 LEU 64 3HD2 LEU 64 -9.541 6.428 11.245 457 HD22 LEU 64 1HD2 LEU 64 -8.438 5.093 10.910 458 HD23 LEU 64 2HD2 LEU 64 -9.814 5.387 9.847 459 H PHE 65 H PHE 65 -7.121 3.976 6.400 460 HA PHE 65 HA PHE 65 -6.791 5.414 3.860 461 HB2 PHE 65 1HB PHE 65 -5.042 3.276 5.094 462 HB3 PHE 65 2HB PHE 65 -4.703 4.153 3.606 463 HD1 PHE 65 2HD PHE 65 -4.925 4.414 7.263 464 HD2 PHE 65 1HD PHE 65 -3.835 6.374 3.645 465 HE1 PHE 65 2HE PHE 65 -3.762 6.152 8.559 466 HE2 PHE 65 1HE PHE 65 -2.669 8.115 4.935 467 HZ PHE 65 HZ PHE 65 -2.633 8.006 7.395 468 H ALA 66 H ALA 66 -7.350 4.516 1.958 469 HA ALA 66 HA ALA 66 -8.530 1.822 2.047 470 HB1 ALA 66 3HB ALA 66 -9.032 3.914 -0.055 471 HB2 ALA 66 1HB ALA 66 -9.959 2.448 0.267 472 HB3 ALA 66 2HB ALA 66 -9.987 3.782 1.422 473 H LEU 67 H LEU 67 -7.685 0.223 0.859 474 HA LEU 67 HA LEU 67 -5.348 0.823 -0.783 475 HB2 LEU 67 1HB LEU 67 -4.972 -0.895 0.796 476 HB3 LEU 67 2HB LEU 67 -6.474 -1.713 0.370 477 HG LEU 67 HG LEU 67 -5.510 -2.346 -1.793 478 HD11 LEU 67 1HD1 LEU 67 -3.834 -0.277 -1.525 479 HD12 LEU 67 2HD1 LEU 67 -3.504 -1.657 -2.571 480 HD13 LEU 67 3HD1 LEU 67 -2.782 -1.577 -0.964 481 HD21 LEU 67 3HD2 LEU 67 -3.783 -3.089 0.567 482 HD22 LEU 67 1HD2 LEU 67 -3.897 -3.976 -0.953 483 HD23 LEU 67 2HD2 LEU 67 -5.301 -3.862 0.108 484 H ASN 68 H ASN 68 -5.484 0.958 -2.916 485 HA ASN 68 HA ASN 68 -7.912 0.186 -4.278 486 HB2 ASN 68 1HB ASN 68 -5.466 1.739 -4.972 487 HB3 ASN 68 2HB ASN 68 -6.371 1.008 -6.295 488 HD21 ASN 68 1HD2 ASN 68 -6.780 3.173 -6.993 489 HD22 ASN 68 2HD2 ASN 68 -8.046 4.094 -6.263 490 H ASN 69 H ASN 69 -8.206 -1.871 -4.827 491 HA ASN 69 HA ASN 69 -5.967 -3.631 -5.323 492 HB2 ASN 69 1HB ASN 69 -8.871 -4.334 -5.707 493 HB3 ASN 69 2HB ASN 69 -7.530 -5.402 -5.301 494 HD21 ASN 69 1HD2 ASN 69 -7.705 -6.127 -3.319 495 HD22 ASN 69 2HD2 ASN 69 -8.248 -5.231 -1.945 496 H THR 70 H THR 70 -6.804 -1.339 -7.162 497 HA THR 70 HA THR 70 -7.001 -2.928 -9.638 498 HB THR 70 HB THR 70 -7.911 -0.819 -10.686 499 HG1 THR 70 1HG THR 70 -8.122 -0.062 -7.944 500 HG21 THR 70 3HG2 THR 70 -9.198 -2.799 -9.154 501 HG22 THR 70 1HG2 THR 70 -9.893 -1.805 -10.434 502 HG23 THR 70 2HG2 THR 70 -9.985 -1.272 -8.755 503 H THR 71 H THR 71 -5.333 -0.399 -7.923 504 HA THR 71 HA THR 71 -3.351 -0.291 -10.101 505 HB THR 71 HB THR 71 -2.926 2.037 -9.661 506 HG1 THR 71 1HG THR 71 -4.885 1.771 -7.605 507 HG21 THR 71 3HG2 THR 71 -5.790 2.410 -9.684 508 HG22 THR 71 1HG2 THR 71 -5.320 1.062 -10.720 509 HG23 THR 71 2HG2 THR 71 -4.618 2.659 -10.977 510 H GLY 72 H GLY 72 -4.011 -0.484 -6.700 511 HA2 GLY 72 1HA GLY 72 -2.585 -1.458 -5.111 512 HA3 GLY 72 2HA GLY 72 -1.242 -1.258 -6.226 513 H LEU 73 H LEU 73 -3.363 1.408 -5.561 514 HA LEU 73 HA LEU 73 -1.187 2.692 -4.050 515 HB2 LEU 73 1HB LEU 73 -1.593 3.813 -6.126 516 HB3 LEU 73 2HB LEU 73 -3.327 3.863 -5.815 517 HG LEU 73 HG LEU 73 -1.505 5.263 -3.920 518 HD11 LEU 73 1HD1 LEU 73 -2.086 6.107 -6.733 519 HD12 LEU 73 2HD1 LEU 73 -0.562 6.150 -5.847 520 HD13 LEU 73 3HD1 LEU 73 -1.840 7.301 -5.459 521 HD21 LEU 73 3HD2 LEU 73 -3.796 5.260 -3.331 522 HD22 LEU 73 1HD2 LEU 73 -4.294 5.668 -4.973 523 HD23 LEU 73 2HD2 LEU 73 -3.457 6.864 -3.983 524 H ILE 74 H ILE 74 -1.686 3.947 -2.228 525 HA ILE 74 HA ILE 74 -4.311 3.343 -1.036 526 HB ILE 74 HB ILE 74 -1.671 3.887 0.325 527 HG12 ILE 74 1HG1 ILE 74 -3.401 1.406 0.333 528 HG13 ILE 74 2HG1 ILE 74 -1.982 1.621 -0.686 529 HG21 ILE 74 1HG2 ILE 74 -3.692 4.849 1.474 530 HG22 ILE 74 2HG2 ILE 74 -4.284 3.197 1.647 531 HG23 ILE 74 3HG2 ILE 74 -2.771 3.677 2.416 532 HD11 ILE 74 3HD1 ILE 74 -1.494 0.286 1.293 533 HD12 ILE 74 1HD1 ILE 74 -0.575 1.792 1.283 534 HD13 ILE 74 2HD1 ILE 74 -1.991 1.629 2.322 535 H THR 75 H THR 75 -5.647 4.988 -0.725 536 HA THR 75 HA THR 75 -4.518 7.709 -0.581 537 HB THR 75 HB THR 75 -6.863 8.392 -1.439 538 HG1 THR 75 1HG THR 75 -7.391 5.933 -1.266 539 HG21 THR 75 3HG2 THR 75 -5.882 8.744 -3.433 540 HG22 THR 75 1HG2 THR 75 -5.528 7.033 -3.670 541 HG23 THR 75 2HG2 THR 75 -4.459 8.025 -2.680 542 H VAL 76 H VAL 76 -6.182 9.275 0.433 543 HA VAL 76 HA VAL 76 -6.782 8.263 3.064 544 HB VAL 76 HB VAL 76 -7.331 11.003 1.917 545 HG11 VAL 76 1HG1 VAL 76 -8.579 10.235 4.006 546 HG12 VAL 76 2HG1 VAL 76 -7.010 10.275 4.814 547 HG13 VAL 76 3HG1 VAL 76 -7.681 11.749 4.114 548 HG21 VAL 76 3HG2 VAL 76 -5.257 11.707 2.913 549 HG22 VAL 76 1HG2 VAL 76 -4.991 10.101 3.592 550 HG23 VAL 76 2HG2 VAL 76 -4.936 10.341 1.845 551 H GLN 77 H GLN 77 -8.593 7.178 3.449 552 HA GLN 77 HA GLN 77 -10.911 7.430 1.771 553 HB2 GLN 77 1HB GLN 77 -10.149 5.287 2.846 554 HB3 GLN 77 2HB GLN 77 -10.672 5.946 4.390 555 HG2 GLN 77 1HG GLN 77 -12.960 6.195 3.405 556 HG3 GLN 77 2HG GLN 77 -12.378 5.302 2.001 557 HE21 GLN 77 1HE2 GLN 77 -11.524 3.139 2.398 558 HE22 GLN 77 2HE2 GLN 77 -12.218 2.189 3.662 559 H ARG 78 H ARG 78 -10.018 8.396 5.048 560 HA ARG 78 HA ARG 78 -12.117 10.399 5.019 561 HB2 ARG 78 1HB ARG 78 -11.975 8.340 7.230 562 HB3 ARG 78 2HB ARG 78 -13.068 9.717 7.162 563 HG2 ARG 78 1HG ARG 78 -14.260 8.788 5.331 564 HG3 ARG 78 2HG ARG 78 -13.048 7.525 5.105 565 HD2 ARG 78 1HD ARG 78 -13.635 6.828 7.511 566 HD3 ARG 78 2HD ARG 78 -15.075 7.822 7.295 567 HE ARG 78 HE ARG 78 -14.643 5.889 5.202 568 HH11 ARG 78 1HH1 ARG 78 -16.076 6.496 8.316 569 HH12 ARG 78 2HH1 ARG 78 -17.252 5.233 8.166 570 HH21 ARG 78 1HH2 ARG 78 -16.187 4.224 4.992 571 HH22 ARG 78 2HH2 ARG 78 -17.314 3.941 6.275 572 H SER 79 H SER 79 -12.015 11.674 7.183 573 HA SER 79 HA SER 79 -9.480 12.826 7.388 574 HB2 SER 79 1HB SER 79 -11.598 13.959 8.023 575 HB3 SER 79 2HB SER 79 -11.699 12.923 9.447 576 HG SER 79 HG SER 79 -9.520 14.650 8.877 577 H LEU 80 H LEU 80 -7.738 12.462 8.638 578 HA LEU 80 HA LEU 80 -7.720 10.036 10.243 579 HB2 LEU 80 1HB LEU 80 -5.395 11.864 9.715 580 HB3 LEU 80 2HB LEU 80 -5.361 10.165 10.180 581 HG LEU 80 HG LEU 80 -6.587 10.912 7.567 582 HD11 LEU 80 1HD1 LEU 80 -4.606 11.220 6.456 583 HD12 LEU 80 2HD1 LEU 80 -3.655 10.403 7.695 584 HD13 LEU 80 3HD1 LEU 80 -4.257 12.035 7.981 585 HD21 LEU 80 3HD2 LEU 80 -6.208 8.554 8.857 586 HD22 LEU 80 1HD2 LEU 80 -4.764 8.629 7.847 587 HD23 LEU 80 2HD2 LEU 80 -6.362 8.725 7.108 588 H ASP 81 H ASP 81 -6.825 9.986 12.388 589 HA ASP 81 HA ASP 81 -7.123 12.537 13.835 590 HB2 ASP 81 1HB ASP 81 -8.094 9.781 14.544 591 HB3 ASP 81 2HB ASP 81 -7.808 10.988 15.794 592 H ARG 82 H ARG 82 -5.227 13.190 14.587 593 HA ARG 82 HA ARG 82 -2.989 11.442 14.864 594 HB2 ARG 82 1HB ARG 82 -3.047 13.986 14.320 595 HB3 ARG 82 2HB ARG 82 -3.114 14.189 16.066 596 HG2 ARG 82 1HG ARG 82 -0.992 12.469 14.872 597 HG3 ARG 82 2HG ARG 82 -0.829 14.226 14.819 598 HD2 ARG 82 1HD ARG 82 -1.527 12.894 17.396 599 HD3 ARG 82 2HD ARG 82 0.141 12.853 16.828 600 HE ARG 82 HE ARG 82 -0.687 15.489 16.664 601 HH11 ARG 82 1HH1 ARG 82 -0.257 13.079 19.140 602 HH12 ARG 82 2HH1 ARG 82 0.108 14.231 20.381 603 HH21 ARG 82 1HH2 ARG 82 -0.208 17.015 18.290 604 HH22 ARG 82 2HH2 ARG 82 0.135 16.470 19.897 605 H GLU 83 H GLU 83 -5.012 13.219 17.191 606 HA GLU 83 HA GLU 83 -3.818 12.589 19.554 607 HB2 GLU 83 1HB GLU 83 -6.035 12.715 20.603 608 HB3 GLU 83 2HB GLU 83 -5.808 13.990 19.415 609 HG2 GLU 83 1HG GLU 83 -7.027 12.461 17.785 610 HG3 GLU 83 2HG GLU 83 -7.493 11.521 19.202 611 H GLU 84 H GLU 84 -5.754 10.474 17.530 612 HA GLU 84 HA GLU 84 -5.831 8.344 19.464 613 HB2 GLU 84 1HB GLU 84 -6.513 8.376 16.519 614 HB3 GLU 84 2HB GLU 84 -6.810 7.025 17.604 615 HG2 GLU 84 1HG GLU 84 -8.102 8.863 18.980 616 HG3 GLU 84 2HG GLU 84 -8.200 9.638 17.400 617 H THR 85 H THR 85 -4.416 8.525 16.192 618 HA THR 85 HA THR 85 -2.140 6.943 17.178 619 HB THR 85 HB THR 85 -3.571 5.399 15.968 620 HG1 THR 85 1HG THR 85 -1.123 5.607 15.591 621 HG21 THR 85 3HG2 THR 85 -4.385 5.732 13.808 622 HG22 THR 85 1HG2 THR 85 -3.229 7.018 13.465 623 HG23 THR 85 2HG2 THR 85 -4.582 7.317 14.557 624 H ALA 86 H ALA 86 -0.184 7.661 16.566 625 HA ALA 86 HA ALA 86 -0.093 10.011 14.823 626 HB1 ALA 86 3HB ALA 86 0.960 9.854 17.193 627 HB2 ALA 86 1HB ALA 86 2.260 8.998 16.363 628 HB3 ALA 86 2HB ALA 86 1.851 10.649 15.896 629 H ILE 87 H ILE 87 0.992 6.705 15.035 630 HA ILE 87 HA ILE 87 2.242 6.995 12.382 631 HB ILE 87 HB ILE 87 3.104 5.036 14.511 632 HG12 ILE 87 1HG1 ILE 87 4.470 7.577 13.597 633 HG13 ILE 87 2HG1 ILE 87 3.626 7.379 15.129 634 HG21 ILE 87 1HG2 ILE 87 3.388 4.655 11.923 635 HG22 ILE 87 2HG2 ILE 87 4.741 5.765 12.135 636 HG23 ILE 87 3HG2 ILE 87 4.685 4.258 13.050 637 HD11 ILE 87 3HD1 ILE 87 5.542 6.731 16.014 638 HD12 ILE 87 1HD1 ILE 87 5.465 5.283 15.011 639 HD13 ILE 87 2HD1 ILE 87 6.323 6.712 14.433 640 H HIS 88 H HIS 88 1.536 5.660 10.829 641 HA HIS 88 HA HIS 88 -0.323 3.515 11.619 642 HB2 HIS 88 1HB HIS 88 -0.303 5.429 9.324 643 HB3 HIS 88 2HB HIS 88 -1.015 3.836 9.087 644 HD1 HIS 88 1HD HIS 88 -2.977 3.232 10.888 645 HD2 HIS 88 2HD HIS 88 -1.983 7.242 10.445 646 HE1 HIS 88 1HE HIS 88 -4.915 4.516 11.849 647 HE2 HIS 88 2HE HIS 88 -4.328 6.939 11.492 648 H LYS 89 H LYS 89 -0.157 1.497 10.665 649 HA LYS 89 HA LYS 89 2.230 1.039 9.002 650 HB2 LYS 89 1HB LYS 89 1.226 -0.619 11.318 651 HB3 LYS 89 2HB LYS 89 2.438 -1.180 10.174 652 HG2 LYS 89 1HG LYS 89 2.853 1.393 11.627 653 HG3 LYS 89 2HG LYS 89 3.167 -0.142 12.439 654 HD2 LYS 89 1HD LYS 89 4.625 -0.749 10.471 655 HD3 LYS 89 2HD LYS 89 4.459 0.925 9.936 656 HE2 LYS 89 1HE LYS 89 6.429 0.996 11.138 657 HE3 LYS 89 2HE LYS 89 5.245 1.497 12.345 658 HZ1 LYS 89 3HZ LYS 89 6.005 -0.143 13.606 659 HZ2 LYS 89 1HZ LYS 89 6.969 -0.756 12.359 660 HZ3 LYS 89 2HZ LYS 89 5.358 -1.251 12.503 661 H VAL 90 H VAL 90 1.481 0.537 7.045 662 HA VAL 90 HA VAL 90 -0.717 -1.421 6.864 663 HB VAL 90 HB VAL 90 -0.115 0.790 4.895 664 HG11 VAL 90 1HG1 VAL 90 -2.691 -0.615 4.802 665 HG12 VAL 90 2HG1 VAL 90 -1.626 -0.103 3.491 666 HG13 VAL 90 3HG1 VAL 90 -1.293 -1.597 4.367 667 HG21 VAL 90 3HG2 VAL 90 -1.476 2.132 6.035 668 HG22 VAL 90 1HG2 VAL 90 -2.719 0.884 6.127 669 HG23 VAL 90 2HG2 VAL 90 -1.445 0.952 7.345 670 H THR 91 H THR 91 -0.452 -3.139 5.524 671 HA THR 91 HA THR 91 2.099 -3.300 4.053 672 HB THR 91 HB THR 91 0.620 -5.632 5.281 673 HG1 THR 91 1HG THR 91 3.048 -4.521 6.238 674 HG21 THR 91 3HG2 THR 91 2.296 -5.801 3.248 675 HG22 THR 91 1HG2 THR 91 2.333 -6.980 4.559 676 HG23 THR 91 2HG2 THR 91 3.503 -5.660 4.527 677 H VAL 92 H VAL 92 1.830 -3.359 1.929 678 HA VAL 92 HA VAL 92 -0.725 -4.284 0.830 679 HB VAL 92 HB VAL 92 1.513 -2.803 -0.559 680 HG11 VAL 92 1HG1 VAL 92 -0.272 -4.314 -1.803 681 HG12 VAL 92 2HG1 VAL 92 -1.274 -2.878 -1.584 682 HG13 VAL 92 3HG1 VAL 92 0.253 -2.764 -2.459 683 HG21 VAL 92 3HG2 VAL 92 0.669 -1.264 0.975 684 HG22 VAL 92 1HG2 VAL 92 -0.257 -0.933 -0.490 685 HG23 VAL 92 2HG2 VAL 92 -0.981 -1.868 0.819 686 H LEU 93 H LEU 93 -0.736 -6.404 0.422 687 HA LEU 93 HA LEU 93 1.671 -7.796 -0.380 688 HB2 LEU 93 1HB LEU 93 -1.135 -8.618 0.259 689 HB3 LEU 93 2HB LEU 93 -0.036 -9.740 -0.540 690 HG LEU 93 HG LEU 93 -0.072 -10.194 1.823 691 HD11 LEU 93 1HD1 LEU 93 2.159 -9.942 0.356 692 HD12 LEU 93 2HD1 LEU 93 2.156 -10.488 2.033 693 HD13 LEU 93 3HD1 LEU 93 2.526 -8.806 1.654 694 HD21 LEU 93 3HD2 LEU 93 1.111 -7.571 2.541 695 HD22 LEU 93 1HD2 LEU 93 0.090 -8.654 3.487 696 HD23 LEU 93 2HD2 LEU 93 -0.627 -7.629 2.242 697 H ALA 94 H ALA 94 2.071 -8.728 -2.357 698 HA ALA 94 HA ALA 94 0.234 -7.968 -4.535 699 HB1 ALA 94 3HB ALA 94 2.316 -7.986 -5.979 700 HB2 ALA 94 1HB ALA 94 2.177 -6.665 -4.818 701 HB3 ALA 94 2HB ALA 94 3.239 -8.032 -4.476 702 H SER 95 H SER 95 -0.795 -9.701 -5.274 703 HA SER 95 HA SER 95 0.744 -12.179 -5.668 704 HB2 SER 95 1HB SER 95 -1.019 -12.079 -3.700 705 HB3 SER 95 2HB SER 95 -2.171 -12.336 -5.010 706 HG SER 95 HG SER 95 -0.724 -14.150 -3.791 707 H ASP 96 H ASP 96 0.460 -13.197 -7.583 708 HA ASP 96 HA ASP 96 -1.670 -12.234 -9.364 709 HB2 ASP 96 1HB ASP 96 0.231 -12.634 -11.190 710 HB3 ASP 96 2HB ASP 96 0.024 -11.081 -10.384 711 H GLY 97 H GLY 97 -0.423 -14.786 -7.791 712 HA2 GLY 97 1HA GLY 97 -1.740 -16.871 -8.348 713 HA3 GLY 97 2HA GLY 97 -1.069 -16.683 -9.961 714 H SER 98 H SER 98 0.408 -16.388 -6.737 715 HA SER 98 HA SER 98 1.982 -18.783 -7.180 716 HB2 SER 98 1HB SER 98 3.225 -16.032 -7.043 717 HB3 SER 98 2HB SER 98 4.133 -17.513 -6.741 718 HG SER 98 HG SER 98 2.872 -16.679 -9.131 719 H SER 99 H SER 99 3.791 -18.692 -5.244 720 HA SER 99 HA SER 99 2.417 -19.217 -2.911 721 HB2 SER 99 1HB SER 99 4.784 -19.881 -3.418 722 HB3 SER 99 2HB SER 99 5.274 -18.229 -3.044 723 HG SER 99 HG SER 99 3.949 -20.008 -1.271 724 H THR 100 H THR 100 3.293 -17.954 -0.766 725 HA THR 100 HA THR 100 1.722 -15.873 -0.239 726 HB THR 100 HB THR 100 4.596 -16.118 0.663 727 HG1 THR 100 1HG THR 100 3.326 -17.848 1.340 728 HG21 THR 100 3HG2 THR 100 4.156 -14.553 2.379 729 HG22 THR 100 1HG2 THR 100 2.427 -14.542 2.034 730 HG23 THR 100 2HG2 THR 100 3.558 -13.806 0.898 731 HA PRO 101 HA PRO 101 2.771 -12.547 -2.950 732 HB2 PRO 101 1HB PRO 101 1.458 -10.567 -1.636 733 HB3 PRO 101 2HB PRO 101 0.628 -11.797 -2.597 734 HG2 PRO 101 1HG PRO 101 1.024 -11.659 0.367 735 HG3 PRO 101 2HG PRO 101 -0.428 -12.104 -0.549 736 HD2 PRO 101 1HD PRO 101 1.209 -13.947 0.571 737 HD3 PRO 101 2HD PRO 101 0.319 -14.250 -0.935 738 H ALA 102 H ALA 102 3.864 -10.462 -2.927 739 HA ALA 102 HA ALA 102 6.121 -10.448 -1.207 740 HB1 ALA 102 3HB ALA 102 6.962 -8.827 -2.564 741 HB2 ALA 102 1HB ALA 102 5.724 -9.473 -3.642 742 HB3 ALA 102 2HB ALA 102 5.413 -7.999 -2.724 743 H ARG 103 H ARG 103 6.575 -9.281 0.588 744 HA ARG 103 HA ARG 103 4.350 -7.809 1.793 745 HB2 ARG 103 1HB ARG 103 6.736 -9.249 2.845 746 HB3 ARG 103 2HB ARG 103 6.110 -7.903 3.788 747 HG2 ARG 103 1HG ARG 103 3.835 -9.080 3.564 748 HG3 ARG 103 2HG ARG 103 4.784 -10.493 3.096 749 HD2 ARG 103 1HD ARG 103 6.140 -9.858 5.272 750 HD3 ARG 103 2HD ARG 103 4.616 -9.089 5.714 751 HE ARG 103 HE ARG 103 4.144 -11.725 4.822 752 HH11 ARG 103 1HH1 ARG 103 5.462 -9.958 7.517 753 HH12 ARG 103 2HH1 ARG 103 5.092 -11.193 8.675 754 HH21 ARG 103 1HH2 ARG 103 3.652 -13.357 6.337 755 HH22 ARG 103 2HH2 ARG 103 4.063 -13.126 8.002 756 H ALA 104 H ALA 104 4.342 -5.665 1.871 757 HA ALA 104 HA ALA 104 6.899 -4.221 1.798 758 HB1 ALA 104 3HB ALA 104 6.316 -3.949 -0.417 759 HB2 ALA 104 1HB ALA 104 4.588 -3.912 -0.068 760 HB3 ALA 104 2HB ALA 104 5.597 -2.518 0.321 761 H THR 105 H THR 105 7.018 -3.028 3.572 762 HA THR 105 HA THR 105 4.565 -2.124 4.882 763 HB THR 105 HB THR 105 7.425 -2.032 5.864 764 HG1 THR 105 1HG THR 105 5.356 -3.912 6.062 765 HG21 THR 105 3HG2 THR 105 4.849 -1.061 6.973 766 HG22 THR 105 1HG2 THR 105 6.480 -0.424 7.177 767 HG23 THR 105 2HG2 THR 105 5.967 -1.843 8.090 768 H VAL 106 H VAL 106 4.004 -0.019 5.128 769 HA VAL 106 HA VAL 106 5.849 2.024 4.085 770 HB VAL 106 HB VAL 106 2.877 1.900 3.555 771 HG11 VAL 106 1HG1 VAL 106 3.829 4.188 3.913 772 HG12 VAL 106 2HG1 VAL 106 4.874 3.904 2.520 773 HG13 VAL 106 3HG1 VAL 106 3.122 3.924 2.320 774 HG21 VAL 106 3HG2 VAL 106 3.839 0.360 2.089 775 HG22 VAL 106 1HG2 VAL 106 3.758 1.844 1.139 776 HG23 VAL 106 2HG2 VAL 106 5.287 1.340 1.860 777 H THR 107 H THR 107 6.422 3.031 5.926 778 HA THR 107 HA THR 107 4.652 3.437 8.125 779 HB THR 107 HB THR 107 7.215 4.953 7.650 780 HG1 THR 107 1HG THR 107 6.792 2.256 8.241 781 HG21 THR 107 3HG2 THR 107 5.328 4.878 9.757 782 HG22 THR 107 1HG2 THR 107 6.879 5.717 9.715 783 HG23 THR 107 2HG2 THR 107 6.785 4.067 10.331 784 H ILE 108 H ILE 108 3.260 5.039 8.493 785 HA ILE 108 HA ILE 108 3.429 7.446 6.799 786 HB ILE 108 HB ILE 108 0.925 6.151 7.884 787 HG12 ILE 108 1HG1 ILE 108 1.626 6.456 4.979 788 HG13 ILE 108 2HG1 ILE 108 2.226 5.081 5.899 789 HG21 ILE 108 1HG2 ILE 108 1.313 8.582 6.145 790 HG22 ILE 108 2HG2 ILE 108 -0.241 7.820 6.479 791 HG23 ILE 108 3HG2 ILE 108 0.684 8.548 7.792 792 HD11 ILE 108 3HD1 ILE 108 0.314 4.035 5.560 793 HD12 ILE 108 1HD1 ILE 108 -0.545 5.317 6.411 794 HD13 ILE 108 2HD1 ILE 108 -0.298 5.427 4.668 795 H ASN 109 H ASN 109 4.364 8.904 8.128 796 HA ASN 109 HA ASN 109 3.611 9.085 10.917 797 HB2 ASN 109 1HB ASN 109 5.628 10.458 9.172 798 HB3 ASN 109 2HB ASN 109 5.206 11.150 10.735 799 HD21 ASN 109 1HD2 ASN 109 6.823 8.605 9.075 800 HD22 ASN 109 2HD2 ASN 109 7.565 7.883 10.458 801 H VAL 110 H VAL 110 2.245 10.519 11.807 802 HA VAL 110 HA VAL 110 0.751 12.261 10.002 803 HB VAL 110 HB VAL 110 0.231 11.531 12.888 804 HG11 VAL 110 1HG1 VAL 110 -0.789 13.665 11.301 805 HG12 VAL 110 2HG1 VAL 110 -2.086 12.503 11.589 806 HG13 VAL 110 3HG1 VAL 110 -1.216 13.212 12.950 807 HG21 VAL 110 3HG2 VAL 110 -0.237 9.588 11.743 808 HG22 VAL 110 1HG2 VAL 110 -1.795 10.411 11.669 809 HG23 VAL 110 2HG2 VAL 110 -0.715 10.440 10.275 810 H THR 111 H THR 111 1.203 14.346 9.835 811 HA THR 111 HA THR 111 2.737 15.638 11.988 812 HB THR 111 HB THR 111 3.446 17.290 10.340 813 HG1 THR 111 1HG THR 111 1.369 16.811 9.050 814 HG21 THR 111 3HG2 THR 111 4.758 15.220 10.576 815 HG22 THR 111 1HG2 THR 111 4.835 15.862 8.936 816 HG23 THR 111 2HG2 THR 111 3.802 14.478 9.294 817 H ASP 112 H ASP 112 2.134 17.668 12.766 818 HA ASP 112 HA ASP 112 -0.651 18.142 12.937 819 HB2 ASP 112 1HB ASP 112 1.558 20.081 13.644 820 HB3 ASP 112 2HB ASP 112 -0.082 20.053 14.285 821 H VAL 113 H VAL 113 -1.748 20.161 12.355 822 HA VAL 113 HA VAL 113 -0.741 21.250 9.806 823 HB VAL 113 HB VAL 113 -3.153 21.644 9.223 824 HG11 VAL 113 1HG1 VAL 113 -2.653 18.719 9.651 825 HG12 VAL 113 2HG1 VAL 113 -3.430 19.526 8.287 826 HG13 VAL 113 3HG1 VAL 113 -1.685 19.656 8.514 827 HG21 VAL 113 3HG2 VAL 113 -3.536 20.820 11.894 828 HG22 VAL 113 1HG2 VAL 113 -4.762 21.267 10.707 829 HG23 VAL 113 2HG2 VAL 113 -4.260 19.583 10.866 830 H ASN 114 H ASN 114 -1.969 21.919 12.953 831 HA ASN 114 HA ASN 114 -2.109 24.792 12.325 832 HB2 ASN 114 1HB ASN 114 -4.155 23.604 13.301 833 HB3 ASN 114 2HB ASN 114 -3.235 23.484 14.798 834 HD21 ASN 114 1HD2 ASN 114 -5.049 25.515 12.723 835 HD22 ASN 114 2HD2 ASN 114 -4.997 26.938 13.701 Start of MODEL 12 1 H1 GLY 1 H GLY 1 24.646 -24.926 -25.450 2 HA2 GLY 1 1HA GLY 1 24.449 -22.785 -26.749 3 HA3 GLY 1 2HA GLY 1 23.537 -22.766 -25.247 4 H SER 2 H SER 2 23.671 -20.710 -24.576 5 HA SER 2 HA SER 2 26.160 -19.239 -24.789 6 HB2 SER 2 1HB SER 2 23.346 -18.567 -24.036 7 HB3 SER 2 2HB SER 2 24.642 -17.500 -23.496 8 HG SER 2 HG SER 2 25.015 -16.903 -25.509 9 H SER 3 H SER 3 27.093 -18.122 -22.932 10 HA SER 3 HA SER 3 27.270 -19.911 -20.656 11 HB2 SER 3 1HB SER 3 29.268 -18.802 -21.804 12 HB3 SER 3 2HB SER 3 28.762 -17.312 -21.010 13 HG SER 3 HG SER 3 29.277 -19.737 -19.633 14 H GLY 4 H GLY 4 24.769 -18.729 -20.811 15 HA2 GLY 4 1HA GLY 4 24.780 -16.536 -18.869 16 HA3 GLY 4 2HA GLY 4 23.397 -17.082 -19.806 17 H SER 5 H SER 5 23.201 -16.581 -17.092 18 HA SER 5 HA SER 5 23.124 -19.257 -15.877 19 HB2 SER 5 1HB SER 5 24.389 -17.434 -14.688 20 HB3 SER 5 2HB SER 5 22.854 -16.593 -14.470 21 HG SER 5 HG SER 5 23.781 -18.238 -12.809 22 H SER 6 H SER 6 21.259 -19.676 -14.413 23 HA SER 6 HA SER 6 18.795 -18.360 -15.331 24 HB2 SER 6 1HB SER 6 19.330 -21.327 -15.152 25 HB3 SER 6 2HB SER 6 17.703 -20.652 -15.235 26 HG SER 6 HG SER 6 18.044 -20.025 -17.268 27 H GLY 7 H GLY 7 16.896 -18.995 -13.881 28 HA2 GLY 7 1HA GLY 7 16.287 -19.827 -11.646 29 HA3 GLY 7 2HA GLY 7 17.832 -19.204 -11.085 30 H ASN 8 H ASN 8 14.725 -18.208 -12.471 31 HA ASN 8 HA ASN 8 14.777 -15.855 -10.742 32 HB2 ASN 8 1HB ASN 8 15.683 -15.207 -13.002 33 HB3 ASN 8 2HB ASN 8 14.115 -15.631 -13.683 34 HD21 ASN 8 1HD2 ASN 8 14.474 -13.280 -14.317 35 HD22 ASN 8 2HD2 ASN 8 13.799 -12.098 -13.253 36 H ASP 9 H ASP 9 13.009 -16.124 -9.552 37 HA ASP 9 HA ASP 9 10.730 -17.588 -10.424 38 HB2 ASP 9 1HB ASP 9 10.712 -15.688 -8.093 39 HB3 ASP 9 2HB ASP 9 9.839 -17.206 -8.285 40 H ASN 10 H ASN 10 8.545 -16.763 -10.594 41 HA ASN 10 HA ASN 10 8.500 -14.196 -11.989 42 HB2 ASN 10 1HB ASN 10 6.745 -16.617 -11.966 43 HB3 ASN 10 2HB ASN 10 6.043 -15.069 -12.430 44 HD21 ASN 10 1HD2 ASN 10 6.929 -17.694 -13.808 45 HD22 ASN 10 2HD2 ASN 10 7.743 -17.127 -15.223 46 H ARG 11 H ARG 11 8.690 -14.335 -9.077 47 HA ARG 11 HA ARG 11 6.096 -13.583 -8.057 48 HB2 ARG 11 1HB ARG 11 7.240 -14.590 -6.357 49 HB3 ARG 11 2HB ARG 11 8.803 -14.022 -6.928 50 HG2 ARG 11 1HG ARG 11 8.601 -11.981 -5.857 51 HG3 ARG 11 2HG ARG 11 6.844 -12.100 -5.750 52 HD2 ARG 11 1HD ARG 11 7.807 -12.434 -3.564 53 HD3 ARG 11 2HD ARG 11 7.100 -13.946 -4.132 54 HE ARG 11 HE ARG 11 9.836 -13.853 -4.810 55 HH11 ARG 11 1HH1 ARG 11 7.728 -14.233 -2.066 56 HH12 ARG 11 2HH1 ARG 11 8.862 -15.181 -1.162 57 HH21 ARG 11 1HH2 ARG 11 11.337 -15.101 -3.630 58 HH22 ARG 11 2HH2 ARG 11 10.914 -15.674 -2.052 59 HA PRO 12 HA PRO 12 6.392 -9.284 -8.995 60 HB2 PRO 12 1HB PRO 12 4.540 -8.370 -7.233 61 HB3 PRO 12 2HB PRO 12 4.112 -9.229 -8.718 62 HG2 PRO 12 1HG PRO 12 4.297 -10.266 -5.915 63 HG3 PRO 12 2HG PRO 12 3.062 -10.585 -7.147 64 HD2 PRO 12 1HD PRO 12 5.059 -12.330 -6.600 65 HD3 PRO 12 2HD PRO 12 4.361 -12.156 -8.223 66 H VAL 13 H VAL 13 7.896 -7.872 -8.382 67 HA VAL 13 HA VAL 13 8.728 -7.821 -5.564 68 HB VAL 13 HB VAL 13 10.593 -8.306 -6.936 69 HG11 VAL 13 1HG1 VAL 13 9.692 -6.017 -8.677 70 HG12 VAL 13 2HG1 VAL 13 11.238 -6.850 -8.853 71 HG13 VAL 13 3HG1 VAL 13 9.728 -7.729 -9.096 72 HG21 VAL 13 3HG2 VAL 13 10.606 -6.214 -5.261 73 HG22 VAL 13 1HG2 VAL 13 12.038 -6.755 -6.137 74 HG23 VAL 13 2HG2 VAL 13 11.091 -5.397 -6.746 75 H PHE 14 H PHE 14 8.285 -6.109 -4.344 76 HA PHE 14 HA PHE 14 6.860 -3.875 -5.431 77 HB2 PHE 14 1HB PHE 14 7.748 -4.703 -2.693 78 HB3 PHE 14 2HB PHE 14 7.208 -3.048 -2.962 79 HD1 PHE 14 1HD PHE 14 4.934 -2.962 -4.424 80 HD2 PHE 14 2HD PHE 14 6.175 -6.156 -1.901 81 HE1 PHE 14 1HE PHE 14 2.594 -3.687 -4.198 82 HE2 PHE 14 2HE PHE 14 3.837 -6.888 -1.671 83 HZ PHE 14 HZ PHE 14 2.043 -5.653 -2.821 84 H LYS 15 H LYS 15 7.769 -2.184 -6.373 85 HA LYS 15 HA LYS 15 10.340 -1.597 -6.816 86 HB2 LYS 15 1HB LYS 15 8.176 -0.293 -7.458 87 HB3 LYS 15 2HB LYS 15 8.543 0.678 -6.038 88 HG2 LYS 15 1HG LYS 15 10.590 1.418 -6.956 89 HG3 LYS 15 2HG LYS 15 10.525 0.219 -8.249 90 HD2 LYS 15 1HD LYS 15 8.717 1.340 -9.311 91 HD3 LYS 15 2HD LYS 15 8.471 2.397 -7.918 92 HE2 LYS 15 1HE LYS 15 10.849 3.221 -8.349 93 HE3 LYS 15 2HE LYS 15 10.723 2.411 -9.909 94 HZ1 LYS 15 3HZ LYS 15 9.965 4.942 -9.441 95 HZ2 LYS 15 1HZ LYS 15 8.492 4.128 -9.264 96 HZ3 LYS 15 2HZ LYS 15 9.369 3.986 -10.704 97 H GLU 16 H GLU 16 8.571 -0.338 -3.986 98 HA GLU 16 HA GLU 16 11.154 -0.137 -2.588 99 HB2 GLU 16 1HB GLU 16 9.002 1.894 -2.904 100 HB3 GLU 16 2HB GLU 16 9.816 1.809 -1.348 101 HG2 GLU 16 1HG GLU 16 11.812 2.527 -2.190 102 HG3 GLU 16 2HG GLU 16 11.481 1.904 -3.806 103 H GLY 17 H GLY 17 11.236 -1.221 -0.730 104 HA2 GLY 17 1HA GLY 17 8.931 -2.632 0.226 105 HA3 GLY 17 2HA GLY 17 10.536 -2.649 0.942 106 H GLN 18 H GLN 18 11.144 -0.564 2.094 107 HA GLN 18 HA GLN 18 8.835 0.280 3.704 108 HB2 GLN 18 1HB GLN 18 11.723 -0.144 4.300 109 HB3 GLN 18 2HB GLN 18 10.870 1.097 5.209 110 HG2 GLN 18 1HG GLN 18 9.366 -0.463 6.126 111 HG3 GLN 18 2HG GLN 18 9.852 -1.716 4.985 112 HE21 GLN 18 1HE2 GLN 18 10.814 0.123 7.800 113 HE22 GLN 18 2HE2 GLN 18 12.030 -0.977 8.343 114 H VAL 19 H VAL 19 8.078 2.256 3.388 115 HA VAL 19 HA VAL 19 9.947 4.383 2.589 116 HB VAL 19 HB VAL 19 7.152 4.124 1.480 117 HG11 VAL 19 1HG1 VAL 19 9.021 6.253 1.567 118 HG12 VAL 19 2HG1 VAL 19 8.904 5.703 -0.106 119 HG13 VAL 19 3HG1 VAL 19 7.452 6.202 0.763 120 HG21 VAL 19 3HG2 VAL 19 9.776 3.423 0.165 121 HG22 VAL 19 1HG2 VAL 19 8.521 2.285 0.654 122 HG23 VAL 19 2HG2 VAL 19 8.202 3.450 -0.630 123 H GLU 20 H GLU 20 9.703 6.287 3.627 124 HA GLU 20 HA GLU 20 7.530 6.452 5.601 125 HB2 GLU 20 1HB GLU 20 10.105 6.561 6.171 126 HB3 GLU 20 2HB GLU 20 9.922 8.241 5.687 127 HG2 GLU 20 1HG GLU 20 8.224 8.581 7.370 128 HG3 GLU 20 2HG GLU 20 8.292 6.877 7.817 129 H VAL 21 H VAL 21 6.003 7.953 5.393 130 HA VAL 21 HA VAL 21 6.523 10.256 3.631 131 HB VAL 21 HB VAL 21 4.124 10.156 2.946 132 HG11 VAL 21 1HG1 VAL 21 4.517 8.708 1.181 133 HG12 VAL 21 2HG1 VAL 21 6.151 9.116 1.709 134 HG13 VAL 21 3HG1 VAL 21 5.429 7.576 2.178 135 HG21 VAL 21 3HG2 VAL 21 3.418 7.529 3.272 136 HG22 VAL 21 1HG2 VAL 21 4.169 7.916 4.821 137 HG23 VAL 21 2HG2 VAL 21 2.811 8.877 4.235 138 H HIS 22 H HIS 22 5.528 12.202 4.189 139 HA HIS 22 HA HIS 22 4.477 12.289 6.938 140 HB2 HIS 22 1HB HIS 22 5.434 14.423 7.213 141 HB3 HIS 22 2HB HIS 22 6.666 13.495 6.364 142 HD1 HIS 22 1HD HIS 22 6.789 13.954 3.706 143 HD2 HIS 22 2HD HIS 22 4.682 16.729 5.969 144 HE1 HIS 22 1HE HIS 22 6.592 15.996 2.252 145 HE2 HIS 22 2HE HIS 22 5.388 17.691 3.674 146 H ILE 23 H ILE 23 2.364 12.609 7.064 147 HA ILE 23 HA ILE 23 1.099 14.464 5.169 148 HB ILE 23 HB ILE 23 0.597 12.167 4.437 149 HG12 ILE 23 1HG1 ILE 23 -1.659 13.813 5.576 150 HG13 ILE 23 2HG1 ILE 23 -1.069 13.783 3.918 151 HG21 ILE 23 1HG2 ILE 23 -0.887 11.812 7.028 152 HG22 ILE 23 2HG2 ILE 23 -0.575 10.611 5.776 153 HG23 ILE 23 3HG2 ILE 23 0.751 11.211 6.771 154 HD11 ILE 23 3HD1 ILE 23 -2.799 12.435 3.540 155 HD12 ILE 23 1HD1 ILE 23 -1.811 11.189 4.302 156 HD13 ILE 23 2HD1 ILE 23 -3.010 12.068 5.252 157 HA PRO 24 HA PRO 24 -0.498 16.271 8.867 158 HB2 PRO 24 1HB PRO 24 -2.425 17.809 7.730 159 HB3 PRO 24 2HB PRO 24 -0.704 18.204 7.641 160 HG2 PRO 24 1HG PRO 24 -2.452 16.880 5.602 161 HG3 PRO 24 2HG PRO 24 -1.222 18.138 5.375 162 HD2 PRO 24 1HD PRO 24 -0.749 15.525 4.844 163 HD3 PRO 24 2HD PRO 24 0.516 16.625 5.429 164 H GLU 25 H GLU 25 -2.135 15.917 10.305 165 HA GLU 25 HA GLU 25 -3.815 13.708 9.975 166 HB2 GLU 25 1HB GLU 25 -4.967 14.572 12.040 167 HB3 GLU 25 2HB GLU 25 -3.227 14.375 12.184 168 HG2 GLU 25 1HG GLU 25 -2.888 16.743 11.919 169 HG3 GLU 25 2HG GLU 25 -4.609 16.987 11.621 170 H ASN 26 H ASN 26 -4.367 17.133 9.435 171 HA ASN 26 HA ASN 26 -7.183 16.686 8.844 172 HB2 ASN 26 1HB ASN 26 -6.134 18.743 10.080 173 HB3 ASN 26 2HB ASN 26 -5.791 19.313 8.450 174 HD21 ASN 26 1HD2 ASN 26 -7.190 20.976 8.344 175 HD22 ASN 26 2HD2 ASN 26 -8.907 20.813 8.449 176 H ALA 27 H ALA 27 -5.091 15.505 7.162 177 HA ALA 27 HA ALA 27 -4.778 16.924 4.751 178 HB1 ALA 27 3HB ALA 27 -4.678 13.976 5.355 179 HB2 ALA 27 1HB ALA 27 -4.284 14.662 3.778 180 HB3 ALA 27 2HB ALA 27 -3.325 15.096 5.194 181 HA PRO 28 HA PRO 28 -8.753 16.619 2.883 182 HB2 PRO 28 1HB PRO 28 -8.028 16.872 0.279 183 HB3 PRO 28 2HB PRO 28 -8.020 18.227 1.415 184 HG2 PRO 28 1HG PRO 28 -5.742 16.523 0.483 185 HG3 PRO 28 2HG PRO 28 -5.807 18.281 0.703 186 HD2 PRO 28 1HD PRO 28 -4.671 16.627 2.521 187 HD3 PRO 28 2HD PRO 28 -5.487 18.134 2.981 188 H VAL 29 H VAL 29 -10.045 14.987 2.273 189 HA VAL 29 HA VAL 29 -9.097 12.369 1.962 190 HB VAL 29 HB VAL 29 -11.777 13.490 1.130 191 HG11 VAL 29 1HG1 VAL 29 -10.805 11.086 0.404 192 HG12 VAL 29 2HG1 VAL 29 -11.511 10.677 1.969 193 HG13 VAL 29 3HG1 VAL 29 -12.513 11.399 0.710 194 HG21 VAL 29 3HG2 VAL 29 -12.545 13.151 3.270 195 HG22 VAL 29 1HG2 VAL 29 -11.310 11.948 3.639 196 HG23 VAL 29 2HG2 VAL 29 -10.888 13.660 3.592 197 H GLY 30 H GLY 30 -8.291 11.307 0.273 198 HA2 GLY 30 1HA GLY 30 -8.489 10.641 -2.051 199 HA3 GLY 30 2HA GLY 30 -8.910 12.304 -2.434 200 H THR 31 H THR 31 -6.419 12.084 -0.158 201 HA THR 31 HA THR 31 -4.499 13.026 -2.121 202 HB THR 31 HB THR 31 -4.101 12.679 0.855 203 HG1 THR 31 1HG THR 31 -5.821 14.235 -0.142 204 HG21 THR 31 3HG2 THR 31 -2.524 14.737 0.118 205 HG22 THR 31 1HG2 THR 31 -2.485 13.778 -1.361 206 HG23 THR 31 2HG2 THR 31 -1.975 13.062 0.168 207 H SER 32 H SER 32 -3.096 11.741 -3.106 208 HA SER 32 HA SER 32 -2.848 8.983 -2.450 209 HB2 SER 32 1HB SER 32 -1.228 8.894 -4.279 210 HB3 SER 32 2HB SER 32 -2.637 9.837 -4.763 211 HG SER 32 HG SER 32 -0.449 11.164 -3.624 212 H VAL 33 H VAL 33 -1.883 8.430 -0.593 213 HA VAL 33 HA VAL 33 0.290 9.896 0.546 214 HB VAL 33 HB VAL 33 -0.781 7.162 1.257 215 HG11 VAL 33 1HG1 VAL 33 1.607 8.385 2.053 216 HG12 VAL 33 2HG1 VAL 33 0.493 8.579 3.409 217 HG13 VAL 33 3HG1 VAL 33 0.835 6.970 2.769 218 HG21 VAL 33 3HG2 VAL 33 -1.561 8.768 3.264 219 HG22 VAL 33 1HG2 VAL 33 -1.596 9.919 1.928 220 HG23 VAL 33 2HG2 VAL 33 -2.554 8.441 1.844 221 H ILE 34 H ILE 34 0.056 6.593 -0.783 222 HA ILE 34 HA ILE 34 2.781 6.845 -1.797 223 HB ILE 34 HB ILE 34 3.020 5.820 0.433 224 HG12 ILE 34 1HG1 ILE 34 3.532 3.597 -1.499 225 HG13 ILE 34 2HG1 ILE 34 4.326 5.145 -1.764 226 HG21 ILE 34 1HG2 ILE 34 1.635 3.362 -0.530 227 HG22 ILE 34 2HG2 ILE 34 1.939 3.910 1.117 228 HG23 ILE 34 3HG2 ILE 34 0.683 4.682 0.149 229 HD11 ILE 34 3HD1 ILE 34 5.796 3.717 -0.541 230 HD12 ILE 34 1HD1 ILE 34 5.243 5.002 0.533 231 HD13 ILE 34 2HD1 ILE 34 4.550 3.385 0.662 232 H GLN 35 H GLN 35 3.195 5.629 -3.610 233 HA GLN 35 HA GLN 35 0.904 4.120 -4.684 234 HB2 GLN 35 1HB GLN 35 1.375 6.152 -5.958 235 HB3 GLN 35 2HB GLN 35 3.047 5.649 -6.171 236 HG2 GLN 35 1HG GLN 35 2.464 3.923 -7.634 237 HG3 GLN 35 2HG GLN 35 0.769 3.972 -7.153 238 HE21 GLN 35 1HE2 GLN 35 -0.088 4.307 -9.147 239 HE22 GLN 35 2HE2 GLN 35 0.165 5.744 -10.072 240 H LEU 36 H LEU 36 1.295 2.017 -4.392 241 HA LEU 36 HA LEU 36 4.007 0.981 -4.620 242 HB2 LEU 36 1HB LEU 36 1.403 -0.295 -3.809 243 HB3 LEU 36 2HB LEU 36 2.929 -1.171 -3.922 244 HG LEU 36 HG LEU 36 2.401 1.145 -2.061 245 HD11 LEU 36 1HD1 LEU 36 2.192 -1.817 -1.717 246 HD12 LEU 36 2HD1 LEU 36 1.097 -0.546 -1.174 247 HD13 LEU 36 3HD1 LEU 36 2.641 -0.787 -0.357 248 HD21 LEU 36 3HD2 LEU 36 4.504 0.288 -0.989 249 HD22 LEU 36 1HD2 LEU 36 4.720 1.038 -2.571 250 HD23 LEU 36 2HD2 LEU 36 4.739 -0.719 -2.419 251 H HIS 37 H HIS 37 4.772 0.176 -6.451 252 HA HIS 37 HA HIS 37 2.862 -0.870 -8.437 253 HB2 HIS 37 1HB HIS 37 4.173 1.352 -8.911 254 HB3 HIS 37 2HB HIS 37 5.515 0.262 -9.250 255 HD1 HIS 37 1HD HIS 37 3.686 2.125 -11.253 256 HD2 HIS 37 2HD HIS 37 3.772 -2.015 -10.913 257 HE1 HIS 37 1HE HIS 37 2.844 1.252 -13.456 258 HE2 HIS 37 2HE HIS 37 2.825 -1.253 -13.197 259 H ALA 38 H ALA 38 3.024 -3.018 -8.375 260 HA ALA 38 HA ALA 38 5.694 -4.227 -8.111 261 HB1 ALA 38 3HB ALA 38 4.164 -4.924 -6.379 262 HB2 ALA 38 1HB ALA 38 2.969 -5.405 -7.584 263 HB3 ALA 38 2HB ALA 38 4.493 -6.283 -7.453 264 H THR 39 H THR 39 6.465 -4.372 -10.157 265 HA THR 39 HA THR 39 4.741 -5.568 -12.214 266 HB THR 39 HB THR 39 6.541 -4.806 -13.808 267 HG1 THR 39 1HG THR 39 8.321 -4.147 -12.883 268 HG21 THR 39 3HG2 THR 39 4.384 -3.525 -13.077 269 HG22 THR 39 1HG2 THR 39 5.609 -2.702 -14.041 270 HG23 THR 39 2HG2 THR 39 5.528 -2.431 -12.300 271 H ASP 40 H ASP 40 5.573 -7.238 -13.572 272 HA ASP 40 HA ASP 40 7.833 -8.733 -12.422 273 HB2 ASP 40 1HB ASP 40 5.308 -9.980 -13.524 274 HB3 ASP 40 2HB ASP 40 6.663 -10.822 -12.777 275 H ALA 41 H ALA 41 5.705 -8.538 -15.275 276 HA ALA 41 HA ALA 41 7.967 -8.328 -17.037 277 HB1 ALA 41 3HB ALA 41 7.326 -10.367 -18.365 278 HB2 ALA 41 1HB ALA 41 8.078 -10.686 -16.802 279 HB3 ALA 41 2HB ALA 41 6.333 -10.855 -16.992 280 H ASP 42 H ASP 42 7.180 -8.383 -19.395 281 HA ASP 42 HA ASP 42 5.084 -6.487 -19.653 282 HB2 ASP 42 1HB ASP 42 5.408 -7.183 -22.184 283 HB3 ASP 42 2HB ASP 42 6.628 -6.232 -21.340 284 H ILE 43 H ILE 43 3.498 -7.895 -18.457 285 HA ILE 43 HA ILE 43 2.248 -9.923 -20.163 286 HB ILE 43 HB ILE 43 0.809 -10.311 -18.090 287 HG12 ILE 43 1HG1 ILE 43 3.037 -8.760 -16.758 288 HG13 ILE 43 2HG1 ILE 43 1.425 -8.112 -17.041 289 HG21 ILE 43 1HG2 ILE 43 2.776 -11.687 -18.875 290 HG22 ILE 43 2HG2 ILE 43 3.747 -10.815 -17.690 291 HG23 ILE 43 3HG2 ILE 43 2.389 -11.806 -17.158 292 HD11 ILE 43 3HD1 ILE 43 1.448 -10.687 -15.663 293 HD12 ILE 43 1HD1 ILE 43 2.236 -9.380 -14.779 294 HD13 ILE 43 2HD1 ILE 43 0.560 -9.207 -15.300 295 H GLY 44 H GLY 44 1.230 -8.583 -21.677 296 HA2 GLY 44 1HA GLY 44 -0.329 -6.337 -21.132 297 HA3 GLY 44 2HA GLY 44 -0.531 -7.384 -22.529 298 H SER 45 H SER 45 -1.530 -6.791 -19.218 299 HA SER 45 HA SER 45 -3.341 -7.469 -18.011 300 HB2 SER 45 1HB SER 45 -4.556 -7.445 -20.783 301 HB3 SER 45 2HB SER 45 -5.487 -7.554 -19.289 302 HG SER 45 HG SER 45 -5.435 -5.423 -19.749 303 H ASN 46 H ASN 46 -1.700 -9.528 -18.208 304 HA ASN 46 HA ASN 46 -3.244 -11.829 -19.167 305 HB2 ASN 46 1HB ASN 46 -0.743 -11.427 -19.727 306 HB3 ASN 46 2HB ASN 46 -0.444 -11.977 -18.080 307 HD21 ASN 46 1HD2 ASN 46 0.767 -13.644 -19.269 308 HD22 ASN 46 2HD2 ASN 46 -0.085 -15.053 -19.793 309 H ALA 47 H ALA 47 -1.599 -10.601 -16.278 310 HA ALA 47 HA ALA 47 -3.293 -12.384 -14.661 311 HB1 ALA 47 3HB ALA 47 -0.370 -11.789 -14.229 312 HB2 ALA 47 1HB ALA 47 -1.406 -12.617 -13.066 313 HB3 ALA 47 2HB ALA 47 -1.092 -13.345 -14.642 314 H GLU 48 H GLU 48 -4.735 -10.655 -14.308 315 HA GLU 48 HA GLU 48 -4.159 -8.082 -13.524 316 HB2 GLU 48 1HB GLU 48 -6.442 -9.390 -13.911 317 HB3 GLU 48 2HB GLU 48 -6.417 -9.461 -12.154 318 HG2 GLU 48 1HG GLU 48 -5.905 -6.872 -12.447 319 HG3 GLU 48 2HG GLU 48 -6.773 -7.143 -13.957 320 H ILE 49 H ILE 49 -2.322 -8.084 -12.184 321 HA ILE 49 HA ILE 49 -1.994 -9.484 -9.807 322 HB ILE 49 HB ILE 49 -0.986 -6.712 -10.457 323 HG12 ILE 49 1HG1 ILE 49 0.101 -9.475 -10.980 324 HG13 ILE 49 2HG1 ILE 49 -0.189 -8.181 -12.139 325 HG21 ILE 49 1HG2 ILE 49 -0.966 -7.492 -8.020 326 HG22 ILE 49 2HG2 ILE 49 0.262 -8.647 -8.536 327 HG23 ILE 49 3HG2 ILE 49 0.552 -6.916 -8.708 328 HD11 ILE 49 3HD1 ILE 49 1.613 -6.885 -10.932 329 HD12 ILE 49 1HD1 ILE 49 1.998 -8.391 -10.097 330 HD13 ILE 49 2HD1 ILE 49 2.137 -8.295 -11.853 331 H ARG 50 H ARG 50 -3.329 -9.531 -8.128 332 HA ARG 50 HA ARG 50 -4.982 -7.225 -7.490 333 HB2 ARG 50 1HB ARG 50 -4.883 -10.036 -6.394 334 HB3 ARG 50 2HB ARG 50 -5.949 -8.790 -5.759 335 HG2 ARG 50 1HG ARG 50 -5.992 -9.458 -8.669 336 HG3 ARG 50 2HG ARG 50 -6.844 -10.475 -7.505 337 HD2 ARG 50 1HD ARG 50 -7.235 -7.507 -7.876 338 HD3 ARG 50 2HD ARG 50 -8.313 -8.768 -8.471 339 HE ARG 50 HE ARG 50 -8.097 -7.796 -5.765 340 HH11 ARG 50 1HH1 ARG 50 -9.141 -10.399 -7.827 341 HH12 ARG 50 2HH1 ARG 50 -10.291 -11.015 -6.687 342 HH21 ARG 50 1HH2 ARG 50 -9.607 -8.597 -4.255 343 HH22 ARG 50 2HH2 ARG 50 -10.556 -9.989 -4.656 344 H TYR 51 H TYR 51 -5.030 -6.231 -5.433 345 HA TYR 51 HA TYR 51 -2.620 -6.657 -3.795 346 HB2 TYR 51 1HB TYR 51 -3.880 -4.006 -4.528 347 HB3 TYR 51 2HB TYR 51 -2.547 -4.215 -3.397 348 HD1 TYR 51 1HD TYR 51 -3.536 -4.245 -6.921 349 HD2 TYR 51 2HD TYR 51 -0.313 -4.751 -4.190 350 HE1 TYR 51 1HE TYR 51 -1.938 -4.075 -8.784 351 HE2 TYR 51 2HE TYR 51 1.293 -4.582 -6.044 352 HH TYR 51 HH TYR 51 0.725 -3.312 -8.860 353 H ILE 52 H ILE 52 -3.049 -7.107 -1.744 354 HA ILE 52 HA ILE 52 -5.525 -6.072 -0.545 355 HB ILE 52 HB ILE 52 -5.982 -8.160 0.555 356 HG12 ILE 52 1HG1 ILE 52 -3.703 -9.445 -0.941 357 HG13 ILE 52 2HG1 ILE 52 -3.489 -8.772 0.672 358 HG21 ILE 52 1HG2 ILE 52 -5.512 -9.229 -2.148 359 HG22 ILE 52 2HG2 ILE 52 -7.000 -9.124 -1.209 360 HG23 ILE 52 3HG2 ILE 52 -6.398 -7.706 -2.068 361 HD11 ILE 52 3HD1 ILE 52 -3.887 -11.005 1.085 362 HD12 ILE 52 1HD1 ILE 52 -5.481 -10.283 1.308 363 HD13 ILE 52 2HD1 ILE 52 -5.099 -11.131 -0.191 364 H PHE 53 H PHE 53 -5.476 -6.438 1.912 365 HA PHE 53 HA PHE 53 -3.052 -5.248 2.898 366 HB2 PHE 53 1HB PHE 53 -5.603 -6.086 4.286 367 HB3 PHE 53 2HB PHE 53 -4.266 -5.276 5.096 368 HD1 PHE 53 2HD PHE 53 -3.459 -3.070 3.792 369 HD2 PHE 53 1HD PHE 53 -7.354 -4.777 3.622 370 HE1 PHE 53 2HE PHE 53 -4.383 -0.887 3.135 371 HE2 PHE 53 1HE PHE 53 -8.285 -2.597 2.963 372 HZ PHE 53 HZ PHE 53 -6.799 -0.648 2.720 373 H GLY 54 H GLY 54 -1.583 -6.109 4.348 374 HA2 GLY 54 1HA GLY 54 -1.182 -8.936 4.178 375 HA3 GLY 54 2HA GLY 54 -0.201 -7.799 5.091 376 H ALA 55 H ALA 55 -0.213 -9.714 6.583 377 HA ALA 55 HA ALA 55 -2.667 -10.064 8.106 378 HB1 ALA 55 3HB ALA 55 -0.164 -11.368 8.990 379 HB2 ALA 55 1HB ALA 55 -1.800 -12.015 8.860 380 HB3 ALA 55 2HB ALA 55 -0.801 -11.847 7.416 381 H GLN 56 H GLN 56 -2.670 -9.887 10.451 382 HA GLN 56 HA GLN 56 -2.389 -8.721 12.383 383 HB2 GLN 56 1HB GLN 56 0.380 -8.949 11.315 384 HB3 GLN 56 2HB GLN 56 0.108 -7.826 12.641 385 HG2 GLN 56 1HG GLN 56 -0.741 -10.705 12.735 386 HG3 GLN 56 2HG GLN 56 0.839 -10.144 13.281 387 HE21 GLN 56 1HE2 GLN 56 0.547 -10.661 15.409 388 HE22 GLN 56 2HE2 GLN 56 -0.581 -9.851 16.437 389 H VAL 57 H VAL 57 -3.475 -7.315 10.247 390 HA VAL 57 HA VAL 57 -2.287 -4.634 10.511 391 HB VAL 57 HB VAL 57 -4.173 -5.685 8.396 392 HG11 VAL 57 1HG1 VAL 57 -3.314 -3.396 7.360 393 HG12 VAL 57 2HG1 VAL 57 -4.746 -3.480 8.389 394 HG13 VAL 57 3HG1 VAL 57 -3.201 -2.962 9.065 395 HG21 VAL 57 3HG2 VAL 57 -2.282 -5.467 6.883 396 HG22 VAL 57 1HG2 VAL 57 -1.267 -4.897 8.207 397 HG23 VAL 57 2HG2 VAL 57 -1.879 -6.550 8.215 398 H ALA 58 H ALA 58 -3.361 -3.106 11.584 399 HA ALA 58 HA ALA 58 -5.727 -3.678 13.012 400 HB1 ALA 58 3HB ALA 58 -5.635 -1.020 13.207 401 HB2 ALA 58 1HB ALA 58 -4.557 -2.080 14.116 402 HB3 ALA 58 2HB ALA 58 -3.993 -1.310 12.632 403 HA PRO 59 HA PRO 59 -8.882 -2.766 10.082 404 HB2 PRO 59 1HB PRO 59 -10.894 -2.124 11.789 405 HB3 PRO 59 2HB PRO 59 -10.331 -3.782 11.549 406 HG2 PRO 59 1HG PRO 59 -9.669 -1.855 13.742 407 HG3 PRO 59 2HG PRO 59 -10.044 -3.585 13.848 408 HD2 PRO 59 1HD PRO 59 -7.510 -2.636 13.942 409 HD3 PRO 59 2HD PRO 59 -7.913 -4.213 13.235 410 H ALA 60 H ALA 60 -8.554 -0.445 12.765 411 HA ALA 60 HA ALA 60 -9.889 1.713 11.690 412 HB1 ALA 60 3HB ALA 60 -7.375 2.341 13.108 413 HB2 ALA 60 1HB ALA 60 -9.018 2.916 13.394 414 HB3 ALA 60 2HB ALA 60 -8.530 1.320 13.965 415 H THR 61 H THR 61 -6.463 0.857 11.268 416 HA THR 61 HA THR 61 -5.736 3.031 9.665 417 HB THR 61 HB THR 61 -4.593 0.234 9.540 418 HG1 THR 61 1HG THR 61 -3.010 1.360 11.013 419 HG21 THR 61 3HG2 THR 61 -3.910 1.676 7.675 420 HG22 THR 61 1HG2 THR 61 -2.560 1.345 8.760 421 HG23 THR 61 2HG2 THR 61 -3.380 2.906 8.821 422 H LYS 62 H LYS 62 -7.169 -0.081 8.836 423 HA LYS 62 HA LYS 62 -6.937 0.257 6.013 424 HB2 LYS 62 1HB LYS 62 -8.721 -1.553 7.651 425 HB3 LYS 62 2HB LYS 62 -8.537 -1.647 5.904 426 HG2 LYS 62 1HG LYS 62 -6.078 -2.021 6.298 427 HG3 LYS 62 2HG LYS 62 -6.467 -2.203 8.010 428 HD2 LYS 62 1HD LYS 62 -7.749 -3.834 5.824 429 HD3 LYS 62 2HD LYS 62 -6.316 -4.351 6.716 430 HE2 LYS 62 1HE LYS 62 -8.036 -5.373 7.883 431 HE3 LYS 62 2HE LYS 62 -7.760 -3.904 8.817 432 HZ1 LYS 62 3HZ LYS 62 -9.686 -3.581 6.706 433 HZ2 LYS 62 1HZ LYS 62 -9.784 -3.139 8.336 434 HZ3 LYS 62 2HZ LYS 62 -10.153 -4.721 7.865 435 H ARG 63 H ARG 63 -9.284 1.178 8.417 436 HA ARG 63 HA ARG 63 -11.397 1.741 6.574 437 HB2 ARG 63 1HB ARG 63 -10.906 2.267 9.477 438 HB3 ARG 63 2HB ARG 63 -12.195 3.137 8.656 439 HG2 ARG 63 1HG ARG 63 -12.996 0.823 7.888 440 HG3 ARG 63 2HG ARG 63 -11.933 0.198 9.150 441 HD2 ARG 63 1HD ARG 63 -13.850 2.376 9.826 442 HD3 ARG 63 2HD ARG 63 -14.461 0.733 9.640 443 HE ARG 63 HE ARG 63 -12.961 1.756 11.830 444 HH11 ARG 63 1HH1 ARG 63 -13.509 -1.107 9.928 445 HH12 ARG 63 2HH1 ARG 63 -13.065 -2.196 11.200 446 HH21 ARG 63 1HH2 ARG 63 -12.374 0.334 13.513 447 HH22 ARG 63 2HH2 ARG 63 -12.420 -1.375 13.240 448 H LEU 64 H LEU 64 -9.096 3.765 8.383 449 HA LEU 64 HA LEU 64 -9.953 6.213 7.248 450 HB2 LEU 64 1HB LEU 64 -7.385 5.405 8.593 451 HB3 LEU 64 2HB LEU 64 -7.733 7.055 8.081 452 HG LEU 64 HG LEU 64 -9.342 5.500 10.105 453 HD11 LEU 64 1HD1 LEU 64 -6.834 6.485 10.488 454 HD12 LEU 64 2HD1 LEU 64 -8.048 6.292 11.751 455 HD13 LEU 64 3HD1 LEU 64 -7.834 7.856 10.966 456 HD21 LEU 64 3HD2 LEU 64 -9.726 8.037 8.710 457 HD22 LEU 64 1HD2 LEU 64 -9.831 8.168 10.465 458 HD23 LEU 64 2HD2 LEU 64 -10.880 7.044 9.601 459 H PHE 65 H PHE 65 -7.494 3.862 6.350 460 HA PHE 65 HA PHE 65 -6.867 5.475 3.970 461 HB2 PHE 65 1HB PHE 65 -5.275 3.276 5.303 462 HB3 PHE 65 2HB PHE 65 -4.806 4.090 3.814 463 HD1 PHE 65 1HD PHE 65 -4.182 6.476 3.855 464 HD2 PHE 65 2HD PHE 65 -4.947 4.286 7.424 465 HE1 PHE 65 1HE PHE 65 -3.044 8.220 5.166 466 HE2 PHE 65 2HE PHE 65 -3.812 6.027 8.740 467 HZ PHE 65 HZ PHE 65 -2.859 7.998 7.612 468 H ALA 66 H ALA 66 -7.682 4.818 2.102 469 HA ALA 66 HA ALA 66 -8.851 2.160 1.894 470 HB1 ALA 66 3HB ALA 66 -10.092 4.194 1.160 471 HB2 ALA 66 1HB ALA 66 -8.912 4.387 -0.136 472 HB3 ALA 66 2HB ALA 66 -9.940 2.954 -0.084 473 H LEU 67 H LEU 67 -8.129 0.553 0.593 474 HA LEU 67 HA LEU 67 -5.608 1.048 -0.846 475 HB2 LEU 67 1HB LEU 67 -5.265 -0.489 0.944 476 HB3 LEU 67 2HB LEU 67 -6.680 -1.432 0.481 477 HG LEU 67 HG LEU 67 -5.506 -2.133 -1.572 478 HD11 LEU 67 1HD1 LEU 67 -3.377 -0.364 -0.446 479 HD12 LEU 67 2HD1 LEU 67 -3.979 -0.482 -2.099 480 HD13 LEU 67 3HD1 LEU 67 -2.946 -1.753 -1.445 481 HD21 LEU 67 3HD2 LEU 67 -3.482 -3.146 0.033 482 HD22 LEU 67 1HD2 LEU 67 -5.063 -3.871 -0.257 483 HD23 LEU 67 2HD2 LEU 67 -4.814 -2.835 1.148 484 H ASN 68 H ASN 68 -5.502 0.657 -2.975 485 HA ASN 68 HA ASN 68 -7.932 -0.280 -4.302 486 HB2 ASN 68 1HB ASN 68 -5.605 1.400 -5.095 487 HB3 ASN 68 2HB ASN 68 -6.391 0.459 -6.360 488 HD21 ASN 68 1HD2 ASN 68 -7.674 1.738 -7.467 489 HD22 ASN 68 2HD2 ASN 68 -8.767 2.903 -6.808 490 H ASN 69 H ASN 69 -8.036 -2.087 -5.547 491 HA ASN 69 HA ASN 69 -5.725 -3.889 -5.409 492 HB2 ASN 69 1HB ASN 69 -8.411 -4.811 -6.337 493 HB3 ASN 69 2HB ASN 69 -7.186 -5.676 -5.414 494 HD21 ASN 69 1HD2 ASN 69 -7.452 -5.850 -3.297 495 HD22 ASN 69 2HD2 ASN 69 -8.595 -4.964 -2.353 496 H THR 70 H THR 70 -6.797 -1.672 -7.464 497 HA THR 70 HA THR 70 -6.165 -3.276 -9.856 498 HB THR 70 HB THR 70 -7.434 -1.562 -11.157 499 HG1 THR 70 1HG THR 70 -8.263 0.116 -10.159 500 HG21 THR 70 3HG2 THR 70 -9.338 -2.633 -9.131 501 HG22 THR 70 1HG2 THR 70 -8.368 -3.775 -10.059 502 HG23 THR 70 2HG2 THR 70 -9.439 -2.648 -10.891 503 H THR 71 H THR 71 -5.484 -0.418 -8.007 504 HA THR 71 HA THR 71 -3.341 0.265 -9.913 505 HB THR 71 HB THR 71 -3.566 2.630 -8.928 506 HG1 THR 71 1HG THR 71 -4.988 2.525 -7.311 507 HG21 THR 71 3HG2 THR 71 -5.619 3.068 -10.439 508 HG22 THR 71 1HG2 THR 71 -5.517 1.348 -10.812 509 HG23 THR 71 2HG2 THR 71 -4.157 2.411 -11.173 510 H GLY 72 H GLY 72 -4.216 -0.521 -6.701 511 HA2 GLY 72 1HA GLY 72 -2.956 -0.873 -4.814 512 HA3 GLY 72 2HA GLY 72 -1.544 -0.834 -5.860 513 H LEU 73 H LEU 73 -3.663 1.904 -5.778 514 HA LEU 73 HA LEU 73 -1.530 3.467 -4.526 515 HB2 LEU 73 1HB LEU 73 -2.182 4.440 -6.544 516 HB3 LEU 73 2HB LEU 73 -3.893 4.148 -6.237 517 HG LEU 73 HG LEU 73 -3.761 5.886 -4.425 518 HD11 LEU 73 1HD1 LEU 73 -1.038 5.641 -4.803 519 HD12 LEU 73 2HD1 LEU 73 -1.857 6.905 -3.886 520 HD13 LEU 73 3HD1 LEU 73 -1.431 7.177 -5.575 521 HD21 LEU 73 3HD2 LEU 73 -3.289 6.530 -7.317 522 HD22 LEU 73 1HD2 LEU 73 -3.561 7.797 -6.121 523 HD23 LEU 73 2HD2 LEU 73 -4.797 6.571 -6.402 524 H ILE 74 H ILE 74 -1.661 4.034 -2.466 525 HA ILE 74 HA ILE 74 -4.166 3.686 -1.028 526 HB ILE 74 HB ILE 74 -1.397 4.377 -0.040 527 HG12 ILE 74 1HG1 ILE 74 -2.953 1.837 0.424 528 HG13 ILE 74 2HG1 ILE 74 -1.900 2.040 -0.972 529 HG21 ILE 74 1HG2 ILE 74 -2.960 3.430 2.074 530 HG22 ILE 74 2HG2 ILE 74 -2.366 5.072 1.833 531 HG23 ILE 74 3HG2 ILE 74 -3.962 4.617 1.239 532 HD11 ILE 74 3HD1 ILE 74 -0.010 2.441 0.541 533 HD12 ILE 74 1HD1 ILE 74 -1.077 2.168 1.919 534 HD13 ILE 74 2HD1 ILE 74 -0.749 0.858 0.784 535 H THR 75 H THR 75 -5.500 5.290 -0.528 536 HA THR 75 HA THR 75 -4.456 8.041 -0.463 537 HB THR 75 HB THR 75 -6.654 8.790 -1.445 538 HG1 THR 75 1HG THR 75 -8.078 7.224 -1.576 539 HG21 THR 75 3HG2 THR 75 -6.023 7.968 -3.807 540 HG22 THR 75 1HG2 THR 75 -4.664 7.177 -3.009 541 HG23 THR 75 2HG2 THR 75 -4.845 8.929 -2.916 542 H VAL 76 H VAL 76 -6.008 9.561 0.636 543 HA VAL 76 HA VAL 76 -6.765 8.432 3.169 544 HB VAL 76 HB VAL 76 -7.103 11.243 2.113 545 HG11 VAL 76 1HG1 VAL 76 -8.461 10.176 4.197 546 HG12 VAL 76 2HG1 VAL 76 -7.009 10.761 5.012 547 HG13 VAL 76 3HG1 VAL 76 -8.006 11.875 4.075 548 HG21 VAL 76 3HG2 VAL 76 -4.751 10.231 2.406 549 HG22 VAL 76 1HG2 VAL 76 -5.088 11.799 3.141 550 HG23 VAL 76 2HG2 VAL 76 -5.081 10.342 4.135 551 H GLN 77 H GLN 77 -8.704 7.709 3.748 552 HA GLN 77 HA GLN 77 -10.953 8.110 1.924 553 HB2 GLN 77 1HB GLN 77 -10.161 5.821 2.881 554 HB3 GLN 77 2HB GLN 77 -11.017 6.323 4.333 555 HG2 GLN 77 1HG GLN 77 -13.075 6.197 3.333 556 HG3 GLN 77 2HG GLN 77 -12.424 6.447 1.714 557 HE21 GLN 77 1HE2 GLN 77 -11.932 4.123 4.356 558 HE22 GLN 77 2HE2 GLN 77 -12.075 2.712 3.369 559 H ARG 78 H ARG 78 -10.045 8.572 5.306 560 HA ARG 78 HA ARG 78 -12.165 10.568 5.550 561 HB2 ARG 78 1HB ARG 78 -11.769 8.582 7.769 562 HB3 ARG 78 2HB ARG 78 -13.123 9.670 7.492 563 HG2 ARG 78 1HG ARG 78 -13.583 8.293 5.397 564 HG3 ARG 78 2HG ARG 78 -12.464 7.110 6.079 565 HD2 ARG 78 1HD ARG 78 -14.702 8.167 7.750 566 HD3 ARG 78 2HD ARG 78 -15.030 6.925 6.543 567 HE ARG 78 HE ARG 78 -13.902 5.395 7.841 568 HH11 ARG 78 1HH1 ARG 78 -13.371 8.609 9.068 569 HH12 ARG 78 2HH1 ARG 78 -12.632 8.067 10.538 570 HH21 ARG 78 1HH2 ARG 78 -12.931 4.668 9.773 571 HH22 ARG 78 2HH2 ARG 78 -12.382 5.825 10.938 572 H SER 79 H SER 79 -11.916 11.848 7.603 573 HA SER 79 HA SER 79 -9.445 13.048 7.754 574 HB2 SER 79 1HB SER 79 -10.231 14.207 9.673 575 HB3 SER 79 2HB SER 79 -11.666 13.874 8.702 576 HG SER 79 HG SER 79 -11.848 13.389 10.998 577 H LEU 80 H LEU 80 -7.744 13.001 9.281 578 HA LEU 80 HA LEU 80 -7.415 10.381 10.582 579 HB2 LEU 80 1HB LEU 80 -5.217 12.289 9.826 580 HB3 LEU 80 2HB LEU 80 -5.068 10.596 10.295 581 HG LEU 80 HG LEU 80 -6.540 11.359 7.799 582 HD11 LEU 80 1HD1 LEU 80 -3.772 11.857 8.303 583 HD12 LEU 80 2HD1 LEU 80 -4.702 12.124 6.829 584 HD13 LEU 80 3HD1 LEU 80 -3.929 10.564 7.114 585 HD21 LEU 80 3HD2 LEU 80 -5.029 8.915 8.711 586 HD22 LEU 80 1HD2 LEU 80 -5.738 9.118 7.109 587 HD23 LEU 80 2HD2 LEU 80 -6.777 9.081 8.534 588 H ASP 81 H ASP 81 -6.498 10.274 12.659 589 HA ASP 81 HA ASP 81 -6.519 12.815 14.153 590 HB2 ASP 81 1HB ASP 81 -7.630 10.122 14.928 591 HB3 ASP 81 2HB ASP 81 -7.256 11.356 16.128 592 H ARG 82 H ARG 82 -4.849 13.200 15.514 593 HA ARG 82 HA ARG 82 -2.669 11.240 15.494 594 HB2 ARG 82 1HB ARG 82 -2.424 13.722 14.765 595 HB3 ARG 82 2HB ARG 82 -2.421 14.061 16.490 596 HG2 ARG 82 1HG ARG 82 -0.456 12.742 16.818 597 HG3 ARG 82 2HG ARG 82 -0.515 12.157 15.154 598 HD2 ARG 82 1HD ARG 82 1.161 13.886 15.352 599 HD3 ARG 82 2HD ARG 82 -0.176 14.464 14.359 600 HE ARG 82 HE ARG 82 -0.631 16.053 15.948 601 HH11 ARG 82 1HH1 ARG 82 1.529 13.671 17.282 602 HH12 ARG 82 2HH1 ARG 82 1.837 14.571 18.730 603 HH21 ARG 82 1HH2 ARG 82 -0.235 17.247 17.850 604 HH22 ARG 82 2HH2 ARG 82 0.832 16.605 19.052 605 H GLU 83 H GLU 83 -4.553 13.277 17.695 606 HA GLU 83 HA GLU 83 -3.412 12.907 20.102 607 HB2 GLU 83 1HB GLU 83 -5.807 12.678 21.024 608 HB3 GLU 83 2HB GLU 83 -5.403 14.128 20.114 609 HG2 GLU 83 1HG GLU 83 -7.402 13.615 19.167 610 HG3 GLU 83 2HG GLU 83 -6.324 12.722 18.095 611 H GLU 84 H GLU 84 -4.917 10.437 18.174 612 HA GLU 84 HA GLU 84 -4.736 8.491 20.349 613 HB2 GLU 84 1HB GLU 84 -6.794 8.401 19.122 614 HB3 GLU 84 2HB GLU 84 -5.941 8.349 17.586 615 HG2 GLU 84 1HG GLU 84 -6.640 6.160 17.927 616 HG3 GLU 84 2HG GLU 84 -4.945 6.150 18.410 617 H THR 85 H THR 85 -3.808 8.617 16.904 618 HA THR 85 HA THR 85 -1.299 7.263 17.602 619 HB THR 85 HB THR 85 -2.875 5.547 16.763 620 HG1 THR 85 1HG THR 85 -0.938 5.955 14.747 621 HG21 THR 85 3HG2 THR 85 -3.688 5.576 14.515 622 HG22 THR 85 1HG2 THR 85 -2.764 7.029 14.138 623 HG23 THR 85 2HG2 THR 85 -4.127 7.116 15.253 624 H ALA 86 H ALA 86 0.440 8.141 16.664 625 HA ALA 86 HA ALA 86 0.007 10.232 14.657 626 HB1 ALA 86 3HB ALA 86 2.674 9.819 15.885 627 HB2 ALA 86 1HB ALA 86 1.837 11.313 15.464 628 HB3 ALA 86 2HB ALA 86 1.382 10.427 16.919 629 H ILE 87 H ILE 87 0.957 7.026 14.864 630 HA ILE 87 HA ILE 87 2.263 7.199 12.232 631 HB ILE 87 HB ILE 87 3.092 5.388 14.502 632 HG12 ILE 87 1HG1 ILE 87 4.628 7.580 13.092 633 HG13 ILE 87 2HG1 ILE 87 3.857 7.755 14.664 634 HG21 ILE 87 1HG2 ILE 87 3.132 4.437 12.132 635 HG22 ILE 87 2HG2 ILE 87 4.426 5.593 11.822 636 HG23 ILE 87 3HG2 ILE 87 4.627 4.357 13.064 637 HD11 ILE 87 3HD1 ILE 87 5.630 6.907 15.670 638 HD12 ILE 87 1HD1 ILE 87 5.553 5.453 14.674 639 HD13 ILE 87 2HD1 ILE 87 6.449 6.864 14.109 640 H HIS 88 H HIS 88 1.679 5.675 10.751 641 HA HIS 88 HA HIS 88 -0.233 3.613 11.628 642 HB2 HIS 88 1HB HIS 88 -0.409 5.490 9.282 643 HB3 HIS 88 2HB HIS 88 -1.281 3.960 9.299 644 HD1 HIS 88 1HD HIS 88 -2.812 3.702 11.638 645 HD2 HIS 88 2HD HIS 88 -1.887 7.515 10.272 646 HE1 HIS 88 1HE HIS 88 -4.495 5.228 12.715 647 HE2 HIS 88 2HE HIS 88 -3.969 7.518 11.807 648 H LYS 89 H LYS 89 0.139 1.599 10.912 649 HA LYS 89 HA LYS 89 2.253 1.243 8.888 650 HB2 LYS 89 1HB LYS 89 1.608 -0.354 11.360 651 HB3 LYS 89 2HB LYS 89 2.578 -1.019 10.052 652 HG2 LYS 89 1HG LYS 89 3.333 1.602 11.259 653 HG3 LYS 89 2HG LYS 89 3.726 0.100 12.099 654 HD2 LYS 89 1HD LYS 89 4.925 -0.697 10.125 655 HD3 LYS 89 2HD LYS 89 4.510 0.788 9.265 656 HE2 LYS 89 1HE LYS 89 6.740 1.028 10.063 657 HE3 LYS 89 2HE LYS 89 5.712 2.055 11.062 658 HZ1 LYS 89 3HZ LYS 89 7.426 0.640 12.246 659 HZ2 LYS 89 1HZ LYS 89 6.445 -0.690 11.885 660 HZ3 LYS 89 2HZ LYS 89 5.845 0.568 12.843 661 H VAL 90 H VAL 90 1.630 0.316 7.058 662 HA VAL 90 HA VAL 90 -0.612 -1.583 7.109 663 HB VAL 90 HB VAL 90 -0.276 0.567 5.015 664 HG11 VAL 90 1HG1 VAL 90 -1.517 -0.795 3.767 665 HG12 VAL 90 2HG1 VAL 90 -1.791 -1.895 5.121 666 HG13 VAL 90 3HG1 VAL 90 -2.839 -0.494 4.895 667 HG21 VAL 90 3HG2 VAL 90 -2.555 0.395 6.951 668 HG22 VAL 90 1HG2 VAL 90 -1.067 1.241 7.378 669 HG23 VAL 90 2HG2 VAL 90 -2.013 1.769 5.987 670 H THR 91 H THR 91 -0.380 -3.339 5.821 671 HA THR 91 HA THR 91 2.035 -3.446 4.132 672 HB THR 91 HB THR 91 0.761 -5.809 5.516 673 HG1 THR 91 1HG THR 91 2.723 -5.578 6.877 674 HG21 THR 91 3HG2 THR 91 3.587 -5.666 4.557 675 HG22 THR 91 1HG2 THR 91 2.295 -5.972 3.397 676 HG23 THR 91 2HG2 THR 91 2.539 -7.070 4.756 677 H VAL 92 H VAL 92 1.845 -4.187 2.080 678 HA VAL 92 HA VAL 92 -0.859 -4.951 1.191 679 HB VAL 92 HB VAL 92 1.348 -3.621 -0.387 680 HG11 VAL 92 1HG1 VAL 92 -0.003 -5.200 -1.724 681 HG12 VAL 92 2HG1 VAL 92 -1.456 -4.313 -1.257 682 HG13 VAL 92 3HG1 VAL 92 -0.212 -3.523 -2.227 683 HG21 VAL 92 3HG2 VAL 92 -0.822 -2.599 1.231 684 HG22 VAL 92 1HG2 VAL 92 0.528 -1.744 0.485 685 HG23 VAL 92 2HG2 VAL 92 -0.942 -2.049 -0.441 686 H LEU 93 H LEU 93 -1.110 -6.660 -0.249 687 HA LEU 93 HA LEU 93 1.241 -8.417 -0.511 688 HB2 LEU 93 1HB LEU 93 -1.670 -9.185 -0.354 689 HB3 LEU 93 2HB LEU 93 -0.317 -10.301 -0.527 690 HG LEU 93 HG LEU 93 -0.791 -8.528 1.868 691 HD11 LEU 93 1HD1 LEU 93 -2.416 -10.011 2.306 692 HD12 LEU 93 2HD1 LEU 93 -1.080 -11.077 2.740 693 HD13 LEU 93 3HD1 LEU 93 -1.806 -11.182 1.136 694 HD21 LEU 93 3HD2 LEU 93 1.550 -9.669 1.017 695 HD22 LEU 93 1HD2 LEU 93 0.911 -10.885 2.124 696 HD23 LEU 93 2HD2 LEU 93 1.168 -9.232 2.684 697 H ALA 94 H ALA 94 1.957 -8.673 -2.511 698 HA ALA 94 HA ALA 94 0.146 -8.103 -4.752 699 HB1 ALA 94 3HB ALA 94 2.225 -7.881 -6.089 700 HB2 ALA 94 1HB ALA 94 2.118 -6.734 -4.754 701 HB3 ALA 94 2HB ALA 94 3.156 -8.154 -4.617 702 H SER 95 H SER 95 -0.362 -9.615 -6.238 703 HA SER 95 HA SER 95 1.132 -12.118 -6.338 704 HB2 SER 95 1HB SER 95 -0.665 -12.472 -4.659 705 HB3 SER 95 2HB SER 95 -1.862 -12.061 -5.886 706 HG SER 95 HG SER 95 -0.079 -14.264 -5.873 707 H ASP 96 H ASP 96 1.293 -12.897 -8.353 708 HA ASP 96 HA ASP 96 -0.586 -11.912 -10.391 709 HB2 ASP 96 1HB ASP 96 1.132 -11.384 -11.905 710 HB3 ASP 96 2HB ASP 96 1.704 -10.743 -10.368 711 H GLY 97 H GLY 97 1.684 -14.396 -9.362 712 HA2 GLY 97 1HA GLY 97 0.114 -16.506 -10.369 713 HA3 GLY 97 2HA GLY 97 1.403 -16.166 -11.515 714 H SER 98 H SER 98 1.802 -15.724 -8.073 715 HA SER 98 HA SER 98 3.629 -18.038 -8.054 716 HB2 SER 98 1HB SER 98 3.878 -15.288 -6.924 717 HB3 SER 98 2HB SER 98 4.609 -16.617 -6.026 718 HG SER 98 HG SER 98 5.068 -16.405 -8.785 719 H SER 99 H SER 99 4.119 -18.490 -5.515 720 HA SER 99 HA SER 99 1.669 -19.591 -4.535 721 HB2 SER 99 1HB SER 99 4.517 -19.593 -3.583 722 HB3 SER 99 2HB SER 99 3.230 -20.177 -2.528 723 HG SER 99 HG SER 99 4.244 -21.809 -3.875 724 H THR 100 H THR 100 4.017 -17.685 -2.670 725 HA THR 100 HA THR 100 1.769 -16.417 -1.274 726 HB THR 100 HB THR 100 3.621 -15.684 0.343 727 HG1 THR 100 1HG THR 100 5.049 -17.854 -0.789 728 HG21 THR 100 3HG2 THR 100 2.607 -18.462 -0.054 729 HG22 THR 100 1HG2 THR 100 2.249 -17.308 1.230 730 HG23 THR 100 2HG2 THR 100 3.794 -18.159 1.214 731 HA PRO 101 HA PRO 101 2.553 -12.575 -3.296 732 HB2 PRO 101 1HB PRO 101 1.281 -10.942 -1.539 733 HB3 PRO 101 2HB PRO 101 0.421 -11.992 -2.671 734 HG2 PRO 101 1HG PRO 101 1.013 -12.419 0.232 735 HG3 PRO 101 2HG PRO 101 -0.486 -12.733 -0.662 736 HD2 PRO 101 1HD PRO 101 1.272 -14.694 -0.030 737 HD3 PRO 101 2HD PRO 101 0.290 -14.732 -1.508 738 H ALA 102 H ALA 102 3.454 -10.387 -2.804 739 HA ALA 102 HA ALA 102 5.789 -10.671 -1.110 740 HB1 ALA 102 3HB ALA 102 5.046 -8.268 -2.758 741 HB2 ALA 102 1HB ALA 102 6.644 -8.751 -2.189 742 HB3 ALA 102 2HB ALA 102 5.831 -9.693 -3.440 743 H ARG 103 H ARG 103 6.421 -9.043 0.440 744 HA ARG 103 HA ARG 103 4.112 -7.707 1.694 745 HB2 ARG 103 1HB ARG 103 6.486 -9.055 2.984 746 HB3 ARG 103 2HB ARG 103 5.374 -8.010 3.858 747 HG2 ARG 103 1HG ARG 103 3.533 -9.576 3.047 748 HG3 ARG 103 2HG ARG 103 4.838 -10.682 2.612 749 HD2 ARG 103 1HD ARG 103 4.035 -11.253 4.803 750 HD3 ARG 103 2HD ARG 103 5.651 -10.562 4.951 751 HE ARG 103 HE ARG 103 4.113 -8.416 5.354 752 HH11 ARG 103 1HH1 ARG 103 3.953 -11.635 6.670 753 HH12 ARG 103 2HH1 ARG 103 3.260 -11.126 8.174 754 HH21 ARG 103 1HH2 ARG 103 3.201 -7.734 7.330 755 HH22 ARG 103 2HH2 ARG 103 2.832 -8.907 8.548 756 H ALA 104 H ALA 104 4.287 -5.588 2.131 757 HA ALA 104 HA ALA 104 6.916 -4.326 2.212 758 HB1 ALA 104 3HB ALA 104 4.775 -3.331 0.338 759 HB2 ALA 104 1HB ALA 104 6.398 -2.672 0.551 760 HB3 ALA 104 2HB ALA 104 6.180 -4.272 -0.161 761 H THR 105 H THR 105 6.916 -3.209 4.040 762 HA THR 105 HA THR 105 4.440 -2.261 5.209 763 HB THR 105 HB THR 105 7.281 -2.031 6.222 764 HG1 THR 105 1HG THR 105 6.970 -3.994 6.930 765 HG21 THR 105 3HG2 THR 105 6.224 -0.387 7.426 766 HG22 THR 105 1HG2 THR 105 5.855 -1.787 8.431 767 HG23 THR 105 2HG2 THR 105 4.645 -1.164 7.310 768 H VAL 106 H VAL 106 3.826 -0.157 5.478 769 HA VAL 106 HA VAL 106 5.539 1.900 4.243 770 HB VAL 106 HB VAL 106 2.527 1.711 4.078 771 HG11 VAL 106 1HG1 VAL 106 3.696 4.026 4.283 772 HG12 VAL 106 2HG1 VAL 106 4.182 3.723 2.613 773 HG13 VAL 106 3HG1 VAL 106 2.471 3.773 3.040 774 HG21 VAL 106 3HG2 VAL 106 2.797 1.272 1.762 775 HG22 VAL 106 1HG2 VAL 106 4.526 1.613 1.830 776 HG23 VAL 106 2HG2 VAL 106 3.881 0.169 2.610 777 H THR 107 H THR 107 6.281 3.096 5.876 778 HA THR 107 HA THR 107 4.713 3.535 8.265 779 HB THR 107 HB THR 107 7.348 4.846 7.607 780 HG1 THR 107 1HG THR 107 6.764 2.198 8.308 781 HG21 THR 107 3HG2 THR 107 5.600 4.985 9.808 782 HG22 THR 107 1HG2 THR 107 7.235 5.635 9.689 783 HG23 THR 107 2HG2 THR 107 6.976 4.012 10.329 784 H ILE 108 H ILE 108 3.165 5.024 8.273 785 HA ILE 108 HA ILE 108 3.563 7.488 6.713 786 HB ILE 108 HB ILE 108 0.974 6.329 7.753 787 HG12 ILE 108 1HG1 ILE 108 1.642 6.549 4.850 788 HG13 ILE 108 2HG1 ILE 108 2.338 5.221 5.771 789 HG21 ILE 108 1HG2 ILE 108 1.270 8.880 7.418 790 HG22 ILE 108 2HG2 ILE 108 1.211 8.491 5.700 791 HG23 ILE 108 3HG2 ILE 108 -0.151 8.084 6.743 792 HD11 ILE 108 3HD1 ILE 108 0.135 4.830 4.532 793 HD12 ILE 108 1HD1 ILE 108 0.263 4.275 6.201 794 HD13 ILE 108 2HD1 ILE 108 -0.601 5.768 5.832 795 H ASN 109 H ASN 109 4.305 9.097 7.929 796 HA ASN 109 HA ASN 109 3.749 9.217 10.766 797 HB2 ASN 109 1HB ASN 109 5.487 10.767 8.876 798 HB3 ASN 109 2HB ASN 109 5.114 11.432 10.464 799 HD21 ASN 109 1HD2 ASN 109 7.492 10.053 8.961 800 HD22 ASN 109 2HD2 ASN 109 8.150 9.028 10.186 801 H VAL 110 H VAL 110 2.394 10.594 11.789 802 HA VAL 110 HA VAL 110 0.650 12.234 10.087 803 HB VAL 110 HB VAL 110 0.229 11.184 12.888 804 HG11 VAL 110 1HG1 VAL 110 -2.115 12.260 11.588 805 HG12 VAL 110 2HG1 VAL 110 -1.448 12.616 13.183 806 HG13 VAL 110 3HG1 VAL 110 -0.859 13.486 11.765 807 HG21 VAL 110 3HG2 VAL 110 -1.812 10.228 11.393 808 HG22 VAL 110 1HG2 VAL 110 -0.518 10.263 10.195 809 HG23 VAL 110 2HG2 VAL 110 -0.311 9.351 11.691 810 H THR 111 H THR 111 0.833 14.369 10.123 811 HA THR 111 HA THR 111 2.262 15.618 12.376 812 HB THR 111 HB THR 111 2.829 17.454 10.848 813 HG1 THR 111 1HG THR 111 1.687 15.849 8.790 814 HG21 THR 111 3HG2 THR 111 3.584 14.650 10.114 815 HG22 THR 111 1HG2 THR 111 4.546 15.888 10.920 816 HG23 THR 111 2HG2 THR 111 4.217 16.013 9.191 817 H ASP 112 H ASP 112 1.649 18.077 12.493 818 HA ASP 112 HA ASP 112 -1.206 18.146 13.006 819 HB2 ASP 112 1HB ASP 112 -0.548 20.506 13.884 820 HB3 ASP 112 2HB ASP 112 -0.032 19.083 14.786 821 H VAL 113 H VAL 113 -2.061 20.603 12.628 822 HA VAL 113 HA VAL 113 -1.395 21.439 9.903 823 HB VAL 113 HB VAL 113 -3.970 21.700 9.571 824 HG11 VAL 113 1HG1 VAL 113 -3.737 20.054 8.076 825 HG12 VAL 113 2HG1 VAL 113 -2.094 19.896 8.701 826 HG13 VAL 113 3HG1 VAL 113 -3.378 18.856 9.319 827 HG21 VAL 113 3HG2 VAL 113 -4.128 20.709 12.057 828 HG22 VAL 113 1HG2 VAL 113 -5.395 20.491 10.850 829 HG23 VAL 113 2HG2 VAL 113 -4.221 19.207 11.139 830 H ASN 114 H ASN 114 -1.016 23.545 9.957 831 HA ASN 114 HA ASN 114 -2.162 25.171 12.090 832 HB2 ASN 114 1HB ASN 114 0.055 25.746 11.974 833 HB3 ASN 114 2HB ASN 114 0.161 25.421 10.246 834 HD21 ASN 114 1HD2 ASN 114 -0.645 26.994 8.782 835 HD22 ASN 114 2HD2 ASN 114 -0.747 28.655 9.246 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -7.565 -32.513 -20.960 2 HA2 GLY 1 1HA GLY 1 -6.808 -30.847 -19.509 3 HA3 GLY 1 2HA GLY 1 -5.219 -30.953 -20.253 4 H SER 2 H SER 2 -6.733 -28.571 -19.595 5 HA SER 2 HA SER 2 -7.195 -27.483 -22.294 6 HB2 SER 2 1HB SER 2 -8.731 -25.919 -21.367 7 HB3 SER 2 2HB SER 2 -9.130 -27.474 -20.636 8 HG SER 2 HG SER 2 -7.726 -26.761 -18.856 9 H SER 3 H SER 3 -5.710 -26.871 -19.150 10 HA SER 3 HA SER 3 -4.682 -24.349 -19.508 11 HB2 SER 3 1HB SER 3 -3.323 -26.698 -18.163 12 HB3 SER 3 2HB SER 3 -2.884 -25.004 -17.942 13 HG SER 3 HG SER 3 -5.365 -24.963 -17.429 14 H GLY 4 H GLY 4 -3.122 -23.429 -20.704 15 HA2 GLY 4 1HA GLY 4 -1.140 -25.134 -22.030 16 HA3 GLY 4 2HA GLY 4 -2.175 -24.136 -23.041 17 H SER 5 H SER 5 -0.533 -23.496 -19.948 18 HA SER 5 HA SER 5 0.517 -21.020 -21.108 19 HB2 SER 5 1HB SER 5 0.375 -21.946 -18.228 20 HB3 SER 5 2HB SER 5 1.005 -20.387 -18.760 21 HG SER 5 HG SER 5 -1.181 -20.196 -19.801 22 H SER 6 H SER 6 2.732 -20.396 -20.695 23 HA SER 6 HA SER 6 4.530 -22.663 -20.981 24 HB2 SER 6 1HB SER 6 4.850 -19.689 -21.361 25 HB3 SER 6 2HB SER 6 6.234 -20.782 -21.382 26 HG SER 6 HG SER 6 4.753 -21.962 -22.994 27 H GLY 7 H GLY 7 6.598 -22.701 -19.806 28 HA2 GLY 7 1HA GLY 7 6.130 -22.266 -16.980 29 HA3 GLY 7 2HA GLY 7 7.504 -23.094 -17.698 30 H ASN 8 H ASN 8 6.104 -19.885 -17.162 31 HA ASN 8 HA ASN 8 8.844 -18.828 -16.984 32 HB2 ASN 8 1HB ASN 8 8.213 -16.813 -18.110 33 HB3 ASN 8 2HB ASN 8 7.677 -18.156 -19.115 34 HD21 ASN 8 1HD2 ASN 8 5.405 -18.806 -18.878 35 HD22 ASN 8 2HD2 ASN 8 4.229 -17.576 -18.579 36 H ASP 9 H ASP 9 7.421 -19.752 -14.794 37 HA ASP 9 HA ASP 9 5.828 -17.961 -13.418 38 HB2 ASP 9 1HB ASP 9 7.945 -19.729 -12.177 39 HB3 ASP 9 2HB ASP 9 6.498 -19.105 -11.391 40 H ASN 10 H ASN 10 6.216 -16.330 -11.907 41 HA ASN 10 HA ASN 10 8.808 -15.437 -11.189 42 HB2 ASN 10 1HB ASN 10 8.807 -14.722 -13.564 43 HB3 ASN 10 2HB ASN 10 7.372 -13.750 -13.251 44 HD21 ASN 10 1HD2 ASN 10 10.672 -13.718 -13.441 45 HD22 ASN 10 2HD2 ASN 10 10.986 -12.254 -12.579 46 H ARG 11 H ARG 11 8.663 -14.241 -9.387 47 HA ARG 11 HA ARG 11 6.008 -13.491 -8.462 48 HB2 ARG 11 1HB ARG 11 7.114 -13.103 -6.295 49 HB3 ARG 11 2HB ARG 11 7.441 -14.714 -6.922 50 HG2 ARG 11 1HG ARG 11 9.638 -13.966 -7.694 51 HG3 ARG 11 2HG ARG 11 9.309 -12.356 -7.049 52 HD2 ARG 11 1HD ARG 11 9.304 -14.870 -5.387 53 HD3 ARG 11 2HD ARG 11 10.708 -13.820 -5.574 54 HE ARG 11 HE ARG 11 8.656 -12.185 -4.742 55 HH11 ARG 11 1HH1 ARG 11 10.302 -14.999 -3.521 56 HH12 ARG 11 2HH1 ARG 11 10.060 -14.579 -1.857 57 HH21 ARG 11 1HH2 ARG 11 8.331 -11.622 -2.556 58 HH22 ARG 11 2HH2 ARG 11 8.938 -12.658 -1.310 59 HA PRO 12 HA PRO 12 6.431 -9.211 -9.398 60 HB2 PRO 12 1HB PRO 12 4.690 -8.196 -7.578 61 HB3 PRO 12 2HB PRO 12 4.168 -9.061 -9.029 62 HG2 PRO 12 1HG PRO 12 4.427 -10.060 -6.219 63 HG3 PRO 12 2HG PRO 12 3.131 -10.349 -7.394 64 HD2 PRO 12 1HD PRO 12 5.079 -12.163 -6.897 65 HD3 PRO 12 2HD PRO 12 4.323 -11.988 -8.494 66 H VAL 13 H VAL 13 7.662 -7.510 -8.769 67 HA VAL 13 HA VAL 13 8.769 -7.588 -6.037 68 HB VAL 13 HB VAL 13 10.633 -6.152 -7.244 69 HG11 VAL 13 1HG1 VAL 13 11.682 -7.937 -6.422 70 HG12 VAL 13 2HG1 VAL 13 10.277 -8.973 -6.683 71 HG13 VAL 13 3HG1 VAL 13 11.428 -8.698 -7.992 72 HG21 VAL 13 3HG2 VAL 13 9.180 -6.430 -9.409 73 HG22 VAL 13 1HG2 VAL 13 10.940 -6.490 -9.496 74 HG23 VAL 13 2HG2 VAL 13 10.005 -7.985 -9.511 75 H PHE 14 H PHE 14 9.096 -5.630 -4.943 76 HA PHE 14 HA PHE 14 7.337 -3.474 -5.851 77 HB2 PHE 14 1HB PHE 14 8.438 -4.288 -3.182 78 HB3 PHE 14 2HB PHE 14 7.854 -2.645 -3.428 79 HD1 PHE 14 1HD PHE 14 5.464 -2.449 -4.463 80 HD2 PHE 14 2HD PHE 14 6.962 -5.915 -2.499 81 HE1 PHE 14 1HE PHE 14 3.159 -3.204 -4.047 82 HE2 PHE 14 2HE PHE 14 4.660 -6.677 -2.080 83 HZ PHE 14 HZ PHE 14 2.755 -5.321 -2.855 84 H LYS 15 H LYS 15 8.036 -1.452 -6.306 85 HA LYS 15 HA LYS 15 10.682 -1.020 -7.088 86 HB2 LYS 15 1HB LYS 15 10.059 1.299 -7.400 87 HB3 LYS 15 2HB LYS 15 8.738 0.265 -7.929 88 HG2 LYS 15 1HG LYS 15 7.779 0.645 -5.572 89 HG3 LYS 15 2HG LYS 15 8.915 1.994 -5.494 90 HD2 LYS 15 1HD LYS 15 7.188 1.756 -7.903 91 HD3 LYS 15 2HD LYS 15 6.441 2.295 -6.397 92 HE2 LYS 15 1HE LYS 15 8.995 3.553 -7.288 93 HE3 LYS 15 2HE LYS 15 7.489 4.019 -8.079 94 HZ1 LYS 15 3HZ LYS 15 6.663 4.942 -6.163 95 HZ2 LYS 15 1HZ LYS 15 8.309 5.302 -6.000 96 HZ3 LYS 15 2HZ LYS 15 7.637 4.008 -5.143 97 H GLU 16 H GLU 16 8.995 -0.141 -4.106 98 HA GLU 16 HA GLU 16 11.586 0.178 -2.796 99 HB2 GLU 16 1HB GLU 16 9.537 2.308 -3.143 100 HB3 GLU 16 2HB GLU 16 10.349 2.211 -1.587 101 HG2 GLU 16 1HG GLU 16 12.364 2.838 -2.438 102 HG3 GLU 16 2HG GLU 16 12.028 2.163 -4.031 103 H GLY 17 H GLY 17 11.629 -0.593 -0.751 104 HA2 GLY 17 1HA GLY 17 9.258 -1.965 0.195 105 HA3 GLY 17 2HA GLY 17 10.866 -2.049 0.900 106 H GLN 18 H GLN 18 11.399 -0.723 2.579 107 HA GLN 18 HA GLN 18 9.226 0.513 3.980 108 HB2 GLN 18 1HB GLN 18 12.166 0.206 4.534 109 HB3 GLN 18 2HB GLN 18 11.139 1.191 5.568 110 HG2 GLN 18 1HG GLN 18 9.669 -0.860 5.811 111 HG3 GLN 18 2HG GLN 18 10.989 -1.763 5.070 112 HE21 GLN 18 1HE2 GLN 18 13.058 -1.725 6.148 113 HE22 GLN 18 2HE2 GLN 18 13.122 -1.557 7.866 114 H VAL 19 H VAL 19 8.490 2.477 3.553 115 HA VAL 19 HA VAL 19 10.407 4.618 2.967 116 HB VAL 19 HB VAL 19 7.858 4.197 1.401 117 HG11 VAL 19 1HG1 VAL 19 9.369 6.023 0.043 118 HG12 VAL 19 2HG1 VAL 19 8.031 6.415 1.125 119 HG13 VAL 19 3HG1 VAL 19 9.690 6.455 1.722 120 HG21 VAL 19 3HG2 VAL 19 9.563 3.969 -0.511 121 HG22 VAL 19 1HG2 VAL 19 10.734 3.637 0.766 122 HG23 VAL 19 2HG2 VAL 19 9.329 2.590 0.564 123 H GLU 20 H GLU 20 10.087 6.310 4.248 124 HA GLU 20 HA GLU 20 7.656 6.459 5.834 125 HB2 GLU 20 1HB GLU 20 10.368 7.689 5.974 126 HB3 GLU 20 2HB GLU 20 9.035 8.538 6.744 127 HG2 GLU 20 1HG GLU 20 9.961 7.234 8.436 128 HG3 GLU 20 2HG GLU 20 8.530 6.342 7.924 129 H VAL 21 H VAL 21 6.197 8.134 5.811 130 HA VAL 21 HA VAL 21 6.558 10.210 3.759 131 HB VAL 21 HB VAL 21 4.259 10.011 3.042 132 HG11 VAL 21 1HG1 VAL 21 5.533 8.695 1.655 133 HG12 VAL 21 2HG1 VAL 21 5.988 7.583 2.948 134 HG13 VAL 21 3HG1 VAL 21 4.368 7.515 2.253 135 HG21 VAL 21 3HG2 VAL 21 3.543 9.131 5.367 136 HG22 VAL 21 1HG2 VAL 21 2.680 8.563 3.937 137 HG23 VAL 21 2HG2 VAL 21 3.900 7.539 4.696 138 H HIS 22 H HIS 22 5.217 12.112 4.078 139 HA HIS 22 HA HIS 22 4.426 12.480 6.893 140 HB2 HIS 22 1HB HIS 22 5.434 14.560 6.987 141 HB3 HIS 22 2HB HIS 22 6.558 13.687 5.949 142 HD1 HIS 22 1HD HIS 22 5.969 14.045 3.252 143 HD2 HIS 22 2HD HIS 22 4.671 16.930 5.945 144 HE1 HIS 22 1HE HIS 22 5.525 16.101 1.873 145 HE2 HIS 22 2HE HIS 22 4.823 17.858 3.535 146 H ILE 23 H ILE 23 2.318 12.788 7.095 147 HA ILE 23 HA ILE 23 0.926 14.472 5.144 148 HB ILE 23 HB ILE 23 0.601 12.012 4.596 149 HG12 ILE 23 1HG1 ILE 23 -1.838 13.667 5.281 150 HG13 ILE 23 2HG1 ILE 23 -0.908 13.773 3.790 151 HG21 ILE 23 1HG2 ILE 23 -1.428 11.833 6.733 152 HG22 ILE 23 2HG2 ILE 23 -0.421 10.577 6.015 153 HG23 ILE 23 3HG2 ILE 23 0.255 11.662 7.230 154 HD11 ILE 23 3HD1 ILE 23 -2.125 12.171 2.885 155 HD12 ILE 23 1HD1 ILE 23 -1.716 11.069 4.201 156 HD13 ILE 23 2HD1 ILE 23 -3.115 12.134 4.344 157 HA PRO 24 HA PRO 24 -0.684 16.264 8.846 158 HB2 PRO 24 1HB PRO 24 -2.666 17.731 7.711 159 HB3 PRO 24 2HB PRO 24 -0.959 18.179 7.607 160 HG2 PRO 24 1HG PRO 24 -2.678 16.784 5.592 161 HG3 PRO 24 2HG PRO 24 -1.491 18.077 5.345 162 HD2 PRO 24 1HD PRO 24 -0.939 15.476 4.832 163 HD3 PRO 24 2HD PRO 24 0.294 16.620 5.399 164 H GLU 25 H GLU 25 -2.272 15.833 10.307 165 HA GLU 25 HA GLU 25 -3.909 13.587 9.972 166 HB2 GLU 25 1HB GLU 25 -5.020 14.369 12.084 167 HB3 GLU 25 2HB GLU 25 -3.270 14.235 12.180 168 HG2 GLU 25 1HG GLU 25 -3.039 16.629 11.927 169 HG3 GLU 25 2HG GLU 25 -4.783 16.797 11.727 170 H ASN 26 H ASN 26 -4.487 16.974 9.372 171 HA ASN 26 HA ASN 26 -7.336 16.544 8.950 172 HB2 ASN 26 1HB ASN 26 -5.566 18.978 8.965 173 HB3 ASN 26 2HB ASN 26 -7.209 19.051 8.332 174 HD21 ASN 26 1HD2 ASN 26 -7.647 20.567 10.007 175 HD22 ASN 26 2HD2 ASN 26 -7.976 20.023 11.614 176 H ALA 27 H ALA 27 -4.992 15.530 7.215 177 HA ALA 27 HA ALA 27 -4.943 16.755 4.739 178 HB1 ALA 27 3HB ALA 27 -4.769 13.821 5.405 179 HB2 ALA 27 1HB ALA 27 -4.376 14.512 3.830 180 HB3 ALA 27 2HB ALA 27 -3.434 14.963 5.252 181 HA PRO 28 HA PRO 28 -8.988 16.272 3.067 182 HB2 PRO 28 1HB PRO 28 -8.385 16.478 0.428 183 HB3 PRO 28 2HB PRO 28 -8.376 17.863 1.527 184 HG2 PRO 28 1HG PRO 28 -6.081 16.214 0.541 185 HG3 PRO 28 2HG PRO 28 -6.199 17.974 0.718 186 HD2 PRO 28 1HD PRO 28 -4.928 16.410 2.526 187 HD3 PRO 28 2HD PRO 28 -5.777 17.901 2.983 188 H VAL 29 H VAL 29 -10.223 14.551 2.633 189 HA VAL 29 HA VAL 29 -9.173 11.976 2.292 190 HB VAL 29 HB VAL 29 -11.966 12.958 1.686 191 HG11 VAL 29 1HG1 VAL 29 -11.447 10.157 2.484 192 HG12 VAL 29 2HG1 VAL 29 -12.655 10.820 1.381 193 HG13 VAL 29 3HG1 VAL 29 -10.987 10.615 0.845 194 HG21 VAL 29 3HG2 VAL 29 -11.750 13.396 3.927 195 HG22 VAL 29 1HG2 VAL 29 -12.281 11.715 3.983 196 HG23 VAL 29 2HG2 VAL 29 -10.572 12.108 4.179 197 H GLY 30 H GLY 30 -8.229 11.128 0.563 198 HA2 GLY 30 1HA GLY 30 -8.659 10.329 -1.734 199 HA3 GLY 30 2HA GLY 30 -9.201 11.960 -2.101 200 H THR 31 H THR 31 -6.504 11.786 -0.024 201 HA THR 31 HA THR 31 -4.804 12.865 -2.125 202 HB THR 31 HB THR 31 -4.088 12.501 0.785 203 HG1 THR 31 1HG THR 31 -6.052 13.909 0.053 204 HG21 THR 31 3HG2 THR 31 -2.279 12.967 -0.908 205 HG22 THR 31 1HG2 THR 31 -2.420 14.155 0.388 206 HG23 THR 31 2HG2 THR 31 -3.068 14.515 -1.213 207 H SER 32 H SER 32 -3.138 11.829 -3.050 208 HA SER 32 HA SER 32 -2.832 9.016 -2.617 209 HB2 SER 32 1HB SER 32 -1.125 9.159 -4.397 210 HB3 SER 32 2HB SER 32 -2.623 9.963 -4.864 211 HG SER 32 HG SER 32 -0.643 11.488 -3.617 212 H VAL 33 H VAL 33 -1.704 8.183 -1.000 213 HA VAL 33 HA VAL 33 0.365 9.718 0.326 214 HB VAL 33 HB VAL 33 -0.593 6.910 0.898 215 HG11 VAL 33 1HG1 VAL 33 1.658 7.420 1.760 216 HG12 VAL 33 2HG1 VAL 33 0.995 8.812 2.619 217 HG13 VAL 33 3HG1 VAL 33 0.481 7.181 3.052 218 HG21 VAL 33 3HG2 VAL 33 -1.310 9.189 2.647 219 HG22 VAL 33 1HG2 VAL 33 -2.149 9.066 1.101 220 HG23 VAL 33 2HG2 VAL 33 -2.221 7.732 2.251 221 H ILE 34 H ILE 34 0.239 6.394 -0.973 222 HA ILE 34 HA ILE 34 2.907 6.774 -2.106 223 HB ILE 34 HB ILE 34 3.286 5.789 0.111 224 HG12 ILE 34 1HG1 ILE 34 3.748 3.654 -1.966 225 HG13 ILE 34 2HG1 ILE 34 4.633 5.176 -1.983 226 HG21 ILE 34 1HG2 ILE 34 1.080 4.082 -0.724 227 HG22 ILE 34 2HG2 ILE 34 2.443 3.178 -0.065 228 HG23 ILE 34 3HG2 ILE 34 1.681 4.447 0.894 229 HD11 ILE 34 3HD1 ILE 34 6.108 4.013 -0.761 230 HD12 ILE 34 1HD1 ILE 34 5.025 4.424 0.569 231 HD13 ILE 34 2HD1 ILE 34 4.902 2.849 -0.215 232 H GLN 35 H GLN 35 3.459 5.238 -3.742 233 HA GLN 35 HA GLN 35 1.201 3.643 -4.744 234 HB2 GLN 35 1HB GLN 35 1.292 5.690 -6.056 235 HB3 GLN 35 2HB GLN 35 3.003 5.438 -6.376 236 HG2 GLN 35 1HG GLN 35 2.106 4.672 -8.322 237 HG3 GLN 35 2HG GLN 35 2.158 3.176 -7.392 238 HE21 GLN 35 1HE2 GLN 35 0.165 5.559 -8.867 239 HE22 GLN 35 2HE2 GLN 35 -1.351 4.781 -8.586 240 H LEU 36 H LEU 36 1.708 1.605 -5.229 241 HA LEU 36 HA LEU 36 4.557 0.885 -5.339 242 HB2 LEU 36 1HB LEU 36 2.113 -0.664 -4.531 243 HB3 LEU 36 2HB LEU 36 3.658 -1.445 -4.859 244 HG LEU 36 HG LEU 36 3.278 0.678 -2.755 245 HD11 LEU 36 1HD1 LEU 36 2.101 -1.760 -2.641 246 HD12 LEU 36 2HD1 LEU 36 2.647 -0.847 -1.235 247 HD13 LEU 36 3HD1 LEU 36 3.673 -2.107 -1.919 248 HD21 LEU 36 3HD2 LEU 36 5.562 -0.511 -3.913 249 HD22 LEU 36 1HD2 LEU 36 5.402 -1.164 -2.283 250 HD23 LEU 36 2HD2 LEU 36 5.481 0.581 -2.529 251 H HIS 37 H HIS 37 5.378 -0.255 -7.034 252 HA HIS 37 HA HIS 37 3.522 -0.970 -9.204 253 HB2 HIS 37 1HB HIS 37 4.954 1.165 -9.536 254 HB3 HIS 37 2HB HIS 37 6.298 0.047 -9.751 255 HD1 HIS 37 1HD HIS 37 4.693 1.993 -11.889 256 HD2 HIS 37 2HD HIS 37 4.739 -2.155 -11.651 257 HE1 HIS 37 1HE HIS 37 4.085 1.180 -14.190 258 HE2 HIS 37 2HE HIS 37 4.037 -1.331 -14.000 259 H ALA 38 H ALA 38 3.592 -3.070 -9.611 260 HA ALA 38 HA ALA 38 6.147 -4.493 -9.238 261 HB1 ALA 38 3HB ALA 38 3.913 -4.906 -7.734 262 HB2 ALA 38 1HB ALA 38 3.727 -6.124 -8.996 263 HB3 ALA 38 2HB ALA 38 5.186 -6.097 -8.003 264 H THR 39 H THR 39 6.797 -4.501 -11.356 265 HA THR 39 HA THR 39 4.953 -5.418 -13.419 266 HB THR 39 HB THR 39 6.800 -4.919 -14.994 267 HG1 THR 39 1HG THR 39 8.149 -4.066 -12.630 268 HG21 THR 39 3HG2 THR 39 5.301 -3.078 -13.437 269 HG22 THR 39 1HG2 THR 39 5.908 -2.881 -15.080 270 HG23 THR 39 2HG2 THR 39 6.898 -2.381 -13.709 271 H ASP 40 H ASP 40 4.754 -7.517 -13.797 272 HA ASP 40 HA ASP 40 6.891 -9.348 -13.035 273 HB2 ASP 40 1HB ASP 40 4.942 -10.308 -12.311 274 HB3 ASP 40 2HB ASP 40 3.984 -9.599 -13.609 275 H ALA 41 H ALA 41 4.835 -8.792 -15.896 276 HA ALA 41 HA ALA 41 7.116 -9.239 -17.633 277 HB1 ALA 41 3HB ALA 41 5.769 -10.923 -18.987 278 HB2 ALA 41 1HB ALA 41 6.475 -11.490 -17.473 279 HB3 ALA 41 2HB ALA 41 4.757 -11.096 -17.553 280 H ASP 42 H ASP 42 7.031 -7.537 -18.935 281 HA ASP 42 HA ASP 42 4.456 -6.372 -19.656 282 HB2 ASP 42 1HB ASP 42 7.304 -5.443 -19.818 283 HB3 ASP 42 2HB ASP 42 6.065 -4.659 -20.794 284 H ILE 43 H ILE 43 7.424 -7.432 -21.322 285 HA ILE 43 HA ILE 43 6.199 -7.331 -23.906 286 HB ILE 43 HB ILE 43 8.531 -6.999 -23.903 287 HG12 ILE 43 1HG1 ILE 43 8.542 -9.864 -24.742 288 HG13 ILE 43 2HG1 ILE 43 7.439 -8.763 -25.560 289 HG21 ILE 43 1HG2 ILE 43 9.860 -9.223 -23.057 290 HG22 ILE 43 2HG2 ILE 43 9.591 -7.775 -22.087 291 HG23 ILE 43 3HG2 ILE 43 8.508 -9.158 -21.926 292 HD11 ILE 43 3HD1 ILE 43 9.105 -7.667 -26.619 293 HD12 ILE 43 1HD1 ILE 43 10.245 -7.882 -25.290 294 HD13 ILE 43 2HD1 ILE 43 9.919 -9.216 -26.398 295 H GLY 44 H GLY 44 4.430 -8.660 -24.023 296 HA2 GLY 44 1HA GLY 44 4.224 -11.023 -24.989 297 HA3 GLY 44 2HA GLY 44 4.855 -11.514 -23.424 298 H SER 45 H SER 45 3.520 -11.553 -21.654 299 HA SER 45 HA SER 45 0.672 -11.055 -22.216 300 HB2 SER 45 1HB SER 45 1.921 -12.987 -20.247 301 HB3 SER 45 2HB SER 45 0.190 -12.752 -20.488 302 HG SER 45 HG SER 45 0.504 -14.330 -21.870 303 H ASN 46 H ASN 46 -0.632 -10.581 -20.195 304 HA ASN 46 HA ASN 46 0.863 -9.043 -18.204 305 HB2 ASN 46 1HB ASN 46 0.257 -7.373 -19.842 306 HB3 ASN 46 2HB ASN 46 -1.407 -7.949 -19.877 307 HD21 ASN 46 1HD2 ASN 46 -2.807 -6.885 -18.684 308 HD22 ASN 46 2HD2 ASN 46 -2.432 -5.875 -17.333 309 H ALA 47 H ALA 47 0.270 -9.794 -16.290 310 HA ALA 47 HA ALA 47 -2.352 -11.032 -15.959 311 HB1 ALA 47 3HB ALA 47 -0.238 -10.906 -13.839 312 HB2 ALA 47 1HB ALA 47 -1.506 -12.110 -14.078 313 HB3 ALA 47 2HB ALA 47 -0.125 -12.052 -15.174 314 H GLU 48 H GLU 48 -3.517 -10.610 -13.875 315 HA GLU 48 HA GLU 48 -3.568 -7.716 -13.383 316 HB2 GLU 48 1HB GLU 48 -5.842 -8.377 -12.297 317 HB3 GLU 48 2HB GLU 48 -5.706 -8.309 -14.048 318 HG2 GLU 48 1HG GLU 48 -5.462 -10.710 -14.159 319 HG3 GLU 48 2HG GLU 48 -5.485 -10.817 -12.400 320 H ILE 49 H ILE 49 -1.948 -7.547 -11.841 321 HA ILE 49 HA ILE 49 -1.811 -9.223 -9.541 322 HB ILE 49 HB ILE 49 -0.598 -6.485 -9.928 323 HG12 ILE 49 1HG1 ILE 49 0.602 -9.211 -10.461 324 HG13 ILE 49 2HG1 ILE 49 0.043 -8.095 -11.703 325 HG21 ILE 49 1HG2 ILE 49 -0.796 -7.714 -7.597 326 HG22 ILE 49 2HG2 ILE 49 0.607 -8.587 -8.210 327 HG23 ILE 49 3HG2 ILE 49 0.660 -6.831 -8.056 328 HD11 ILE 49 3HD1 ILE 49 2.426 -7.901 -9.920 329 HD12 ILE 49 1HD1 ILE 49 2.317 -7.734 -11.672 330 HD13 ILE 49 2HD1 ILE 49 1.717 -6.448 -10.624 331 H ARG 50 H ARG 50 -3.085 -9.178 -7.822 332 HA ARG 50 HA ARG 50 -4.717 -6.801 -7.316 333 HB2 ARG 50 1HB ARG 50 -4.908 -9.645 -6.320 334 HB3 ARG 50 2HB ARG 50 -5.935 -8.345 -5.730 335 HG2 ARG 50 1HG ARG 50 -5.788 -8.853 -8.660 336 HG3 ARG 50 2HG ARG 50 -6.744 -9.931 -7.641 337 HD2 ARG 50 1HD ARG 50 -7.047 -6.939 -7.585 338 HD3 ARG 50 2HD ARG 50 -7.971 -7.970 -8.677 339 HE ARG 50 HE ARG 50 -8.432 -7.581 -5.892 340 HH11 ARG 50 1HH1 ARG 50 -8.670 -9.909 -8.469 341 HH12 ARG 50 2HH1 ARG 50 -9.958 -10.797 -7.724 342 HH21 ARG 50 1HH2 ARG 50 -10.127 -8.741 -4.900 343 HH22 ARG 50 2HH2 ARG 50 -10.786 -10.132 -5.694 344 H TYR 51 H TYR 51 -4.614 -5.632 -5.456 345 HA TYR 51 HA TYR 51 -2.429 -6.321 -3.605 346 HB2 TYR 51 1HB TYR 51 -3.620 -3.593 -4.137 347 HB3 TYR 51 2HB TYR 51 -2.223 -3.948 -3.128 348 HD1 TYR 51 2HD TYR 51 -0.117 -4.773 -4.199 349 HD2 TYR 51 1HD TYR 51 -3.407 -3.339 -6.486 350 HE1 TYR 51 2HE TYR 51 1.363 -4.494 -6.143 351 HE2 TYR 51 1HE TYR 51 -1.935 -3.056 -8.436 352 HH TYR 51 HH TYR 51 1.545 -3.620 -8.209 353 H ILE 52 H ILE 52 -3.303 -7.343 -1.910 354 HA ILE 52 HA ILE 52 -5.797 -6.297 -0.759 355 HB ILE 52 HB ILE 52 -5.786 -8.460 0.550 356 HG12 ILE 52 1HG1 ILE 52 -3.705 -9.261 -1.493 357 HG13 ILE 52 2HG1 ILE 52 -3.347 -8.907 0.193 358 HG21 ILE 52 1HG2 ILE 52 -5.865 -8.810 -2.441 359 HG22 ILE 52 2HG2 ILE 52 -6.767 -9.717 -1.227 360 HG23 ILE 52 3HG2 ILE 52 -7.134 -8.015 -1.508 361 HD11 ILE 52 3HD1 ILE 52 -4.221 -10.859 0.930 362 HD12 ILE 52 1HD1 ILE 52 -5.431 -10.933 -0.351 363 HD13 ILE 52 2HD1 ILE 52 -3.756 -11.367 -0.694 364 H PHE 53 H PHE 53 -5.845 -6.802 1.745 365 HA PHE 53 HA PHE 53 -3.749 -5.177 2.885 366 HB2 PHE 53 1HB PHE 53 -6.284 -6.383 3.976 367 HB3 PHE 53 2HB PHE 53 -5.115 -5.586 5.024 368 HD1 PHE 53 2HD PHE 53 -4.508 -3.170 4.505 369 HD2 PHE 53 1HD PHE 53 -7.874 -5.150 2.810 370 HE1 PHE 53 2HE PHE 53 -5.518 -0.991 3.974 371 HE2 PHE 53 1HE PHE 53 -8.889 -2.973 2.275 372 HZ PHE 53 HZ PHE 53 -7.712 -0.890 2.858 373 H GLY 54 H GLY 54 -2.321 -5.784 4.528 374 HA2 GLY 54 1HA GLY 54 -1.288 -8.420 4.325 375 HA3 GLY 54 2HA GLY 54 -0.768 -7.192 5.470 376 H ALA 55 H ALA 55 -0.570 -9.186 6.829 377 HA ALA 55 HA ALA 55 -3.137 -10.087 7.922 378 HB1 ALA 55 3HB ALA 55 -0.915 -11.514 7.249 379 HB2 ALA 55 1HB ALA 55 -0.702 -11.312 8.988 380 HB3 ALA 55 2HB ALA 55 -2.170 -12.060 8.360 381 H GLN 56 H GLN 56 -3.513 -10.102 10.188 382 HA GLN 56 HA GLN 56 -3.559 -9.188 12.269 383 HB2 GLN 56 1HB GLN 56 -0.609 -8.879 11.702 384 HB3 GLN 56 2HB GLN 56 -1.342 -8.514 13.259 385 HG2 GLN 56 1HG GLN 56 -1.736 -11.198 12.014 386 HG3 GLN 56 2HG GLN 56 -0.235 -10.821 12.858 387 HE21 GLN 56 1HE2 GLN 56 -0.313 -10.343 15.084 388 HE22 GLN 56 2HE2 GLN 56 -1.638 -10.861 16.064 389 H VAL 57 H VAL 57 -4.050 -7.536 9.909 390 HA VAL 57 HA VAL 57 -3.073 -4.902 10.714 391 HB VAL 57 HB VAL 57 -4.695 -5.744 8.308 392 HG11 VAL 57 1HG1 VAL 57 -4.532 -3.534 7.494 393 HG12 VAL 57 2HG1 VAL 57 -5.081 -3.392 9.166 394 HG13 VAL 57 3HG1 VAL 57 -3.394 -3.071 8.759 395 HG21 VAL 57 3HG2 VAL 57 -2.350 -4.773 7.358 396 HG22 VAL 57 1HG2 VAL 57 -1.818 -5.518 8.865 397 HG23 VAL 57 2HG2 VAL 57 -2.669 -6.482 7.657 398 H ALA 58 H ALA 58 -4.238 -3.592 11.947 399 HA ALA 58 HA ALA 58 -6.756 -4.265 12.983 400 HB1 ALA 58 3HB ALA 58 -6.774 -1.844 13.751 401 HB2 ALA 58 1HB ALA 58 -5.411 -2.832 14.277 402 HB3 ALA 58 2HB ALA 58 -5.211 -1.688 12.950 403 HA PRO 59 HA PRO 59 -9.644 -2.900 9.968 404 HB2 PRO 59 1HB PRO 59 -11.703 -2.119 11.555 405 HB3 PRO 59 2HB PRO 59 -11.276 -3.815 11.302 406 HG2 PRO 59 1HG PRO 59 -10.597 -2.012 13.594 407 HG3 PRO 59 2HG PRO 59 -11.132 -3.702 13.620 408 HD2 PRO 59 1HD PRO 59 -8.536 -2.992 13.913 409 HD3 PRO 59 2HD PRO 59 -9.029 -4.508 13.132 410 H ALA 60 H ALA 60 -9.525 -0.679 12.763 411 HA ALA 60 HA ALA 60 -10.506 1.606 11.646 412 HB1 ALA 60 3HB ALA 60 -8.586 1.026 13.798 413 HB2 ALA 60 1HB ALA 60 -8.523 2.662 13.144 414 HB3 ALA 60 2HB ALA 60 -10.033 2.034 13.805 415 H THR 61 H THR 61 -7.326 0.200 11.159 416 HA THR 61 HA THR 61 -6.208 2.440 9.799 417 HB THR 61 HB THR 61 -5.377 -0.468 9.749 418 HG1 THR 61 1HG THR 61 -5.309 1.071 11.748 419 HG21 THR 61 3HG2 THR 61 -3.617 1.866 9.071 420 HG22 THR 61 1HG2 THR 61 -4.607 1.090 7.837 421 HG23 THR 61 2HG2 THR 61 -3.386 0.157 8.702 422 H LYS 62 H LYS 62 -7.873 -0.496 8.770 423 HA LYS 62 HA LYS 62 -7.449 -0.074 5.980 424 HB2 LYS 62 1HB LYS 62 -9.547 -1.757 7.363 425 HB3 LYS 62 2HB LYS 62 -9.091 -1.862 5.668 426 HG2 LYS 62 1HG LYS 62 -6.924 -2.687 6.225 427 HG3 LYS 62 2HG LYS 62 -7.188 -2.371 7.942 428 HD2 LYS 62 1HD LYS 62 -9.253 -3.972 7.562 429 HD3 LYS 62 2HD LYS 62 -8.267 -4.545 6.215 430 HE2 LYS 62 1HE LYS 62 -6.642 -5.394 7.590 431 HE3 LYS 62 2HE LYS 62 -6.984 -4.246 8.883 432 HZ1 LYS 62 3HZ LYS 62 -7.690 -6.418 9.551 433 HZ2 LYS 62 1HZ LYS 62 -8.608 -6.619 8.145 434 HZ3 LYS 62 2HZ LYS 62 -9.068 -5.470 9.298 435 H ARG 63 H ARG 63 -9.881 0.906 8.288 436 HA ARG 63 HA ARG 63 -11.787 1.763 6.326 437 HB2 ARG 63 1HB ARG 63 -11.536 1.920 9.287 438 HB3 ARG 63 2HB ARG 63 -12.598 3.079 8.500 439 HG2 ARG 63 1HG ARG 63 -13.852 1.247 7.485 440 HG3 ARG 63 2HG ARG 63 -12.784 0.083 8.270 441 HD2 ARG 63 1HD ARG 63 -14.677 0.184 9.649 442 HD3 ARG 63 2HD ARG 63 -13.472 1.181 10.463 443 HE ARG 63 HE ARG 63 -15.034 2.805 8.784 444 HH11 ARG 63 1HH1 ARG 63 -15.277 0.968 11.731 445 HH12 ARG 63 2HH1 ARG 63 -16.515 1.972 12.409 446 HH21 ARG 63 1HH2 ARG 63 -16.663 4.136 9.666 447 HH22 ARG 63 2HH2 ARG 63 -17.303 3.774 11.233 448 H LEU 64 H LEU 64 -9.939 3.642 8.734 449 HA LEU 64 HA LEU 64 -10.374 6.164 7.864 450 HB2 LEU 64 1HB LEU 64 -7.820 4.933 8.863 451 HB3 LEU 64 2HB LEU 64 -7.991 6.664 8.579 452 HG LEU 64 HG LEU 64 -9.717 5.102 10.495 453 HD11 LEU 64 1HD1 LEU 64 -8.031 5.092 11.931 454 HD12 LEU 64 2HD1 LEU 64 -7.986 6.853 11.861 455 HD13 LEU 64 3HD1 LEU 64 -6.988 5.902 10.761 456 HD21 LEU 64 3HD2 LEU 64 -9.755 7.651 11.337 457 HD22 LEU 64 1HD2 LEU 64 -10.931 6.983 10.204 458 HD23 LEU 64 2HD2 LEU 64 -9.557 7.911 9.603 459 H PHE 65 H PHE 65 -7.947 3.940 6.534 460 HA PHE 65 HA PHE 65 -7.388 5.829 4.376 461 HB2 PHE 65 1HB PHE 65 -6.043 3.321 5.347 462 HB3 PHE 65 2HB PHE 65 -5.665 3.998 3.767 463 HD1 PHE 65 2HD PHE 65 -5.654 4.713 7.394 464 HD2 PHE 65 1HD PHE 65 -4.220 5.834 3.547 465 HE1 PHE 65 2HE PHE 65 -4.054 6.258 8.445 466 HE2 PHE 65 1HE PHE 65 -2.616 7.380 4.591 467 HZ PHE 65 HZ PHE 65 -2.533 7.595 7.043 468 H ALA 66 H ALA 66 -6.967 4.637 2.179 469 HA ALA 66 HA ALA 66 -9.044 2.634 1.667 470 HB1 ALA 66 3HB ALA 66 -9.286 4.199 -0.549 471 HB2 ALA 66 1HB ALA 66 -10.368 4.242 0.843 472 HB3 ALA 66 2HB ALA 66 -9.047 5.403 0.716 473 H LEU 67 H LEU 67 -7.985 0.971 0.816 474 HA LEU 67 HA LEU 67 -5.667 1.473 -0.908 475 HB2 LEU 67 1HB LEU 67 -5.190 -0.007 0.895 476 HB3 LEU 67 2HB LEU 67 -6.622 -0.977 0.555 477 HG LEU 67 HG LEU 67 -5.577 -1.733 -1.547 478 HD11 LEU 67 1HD1 LEU 67 -3.294 -1.253 -2.055 479 HD12 LEU 67 2HD1 LEU 67 -3.095 -0.344 -0.557 480 HD13 LEU 67 3HD1 LEU 67 -4.137 0.281 -1.836 481 HD21 LEU 67 3HD2 LEU 67 -4.696 -2.339 1.142 482 HD22 LEU 67 1HD2 LEU 67 -3.439 -2.674 -0.049 483 HD23 LEU 67 2HD2 LEU 67 -5.027 -3.424 -0.209 484 H ASN 68 H ASN 68 -5.600 0.865 -3.012 485 HA ASN 68 HA ASN 68 -8.110 -0.132 -4.164 486 HB2 ASN 68 1HB ASN 68 -5.926 1.637 -5.154 487 HB3 ASN 68 2HB ASN 68 -6.770 0.642 -6.336 488 HD21 ASN 68 1HD2 ASN 68 -8.058 1.995 -7.380 489 HD22 ASN 68 2HD2 ASN 68 -9.193 3.070 -6.645 490 H ASN 69 H ASN 69 -8.219 -2.036 -5.206 491 HA ASN 69 HA ASN 69 -5.801 -3.683 -5.245 492 HB2 ASN 69 1HB ASN 69 -8.620 -4.604 -5.806 493 HB3 ASN 69 2HB ASN 69 -7.233 -5.583 -5.338 494 HD21 ASN 69 1HD2 ASN 69 -7.671 -6.395 -3.416 495 HD22 ASN 69 2HD2 ASN 69 -8.245 -5.506 -2.049 496 H THR 70 H THR 70 -7.011 -1.567 -7.271 497 HA THR 70 HA THR 70 -6.543 -3.229 -9.661 498 HB THR 70 HB THR 70 -7.948 -1.651 -10.928 499 HG1 THR 70 1HG THR 70 -8.086 -0.399 -8.407 500 HG21 THR 70 3HG2 THR 70 -9.879 -2.725 -10.407 501 HG22 THR 70 1HG2 THR 70 -9.733 -2.382 -8.684 502 HG23 THR 70 2HG2 THR 70 -8.799 -3.693 -9.406 503 H THR 71 H THR 71 -5.764 -0.325 -7.931 504 HA THR 71 HA THR 71 -3.782 0.346 -10.009 505 HB THR 71 HB THR 71 -3.938 2.718 -9.114 506 HG1 THR 71 1HG THR 71 -5.246 1.866 -7.221 507 HG21 THR 71 3HG2 THR 71 -5.924 1.292 -10.770 508 HG22 THR 71 1HG2 THR 71 -4.909 2.679 -11.161 509 HG23 THR 71 2HG2 THR 71 -6.386 2.903 -10.223 510 H GLY 72 H GLY 72 -4.308 -0.600 -6.815 511 HA2 GLY 72 1HA GLY 72 -2.923 -0.855 -5.003 512 HA3 GLY 72 2HA GLY 72 -1.607 -0.826 -6.168 513 H LEU 73 H LEU 73 -3.902 1.742 -5.328 514 HA LEU 73 HA LEU 73 -1.613 3.349 -4.398 515 HB2 LEU 73 1HB LEU 73 -2.350 4.245 -6.475 516 HB3 LEU 73 2HB LEU 73 -4.039 4.167 -5.978 517 HG LEU 73 HG LEU 73 -3.306 5.878 -4.158 518 HD11 LEU 73 1HD1 LEU 73 -1.257 6.719 -4.252 519 HD12 LEU 73 2HD1 LEU 73 -1.435 7.093 -5.966 520 HD13 LEU 73 3HD1 LEU 73 -0.862 5.502 -5.466 521 HD21 LEU 73 3HD2 LEU 73 -3.595 7.731 -5.889 522 HD22 LEU 73 1HD2 LEU 73 -4.888 6.538 -5.754 523 HD23 LEU 73 2HD2 LEU 73 -3.727 6.434 -7.078 524 H ILE 74 H ILE 74 -1.710 3.794 -2.308 525 HA ILE 74 HA ILE 74 -4.216 3.540 -0.867 526 HB ILE 74 HB ILE 74 -1.411 4.097 0.097 527 HG12 ILE 74 1HG1 ILE 74 -3.096 1.648 0.593 528 HG13 ILE 74 2HG1 ILE 74 -2.063 1.791 -0.825 529 HG21 ILE 74 1HG2 ILE 74 -3.881 3.572 1.744 530 HG22 ILE 74 2HG2 ILE 74 -2.247 3.843 2.349 531 HG23 ILE 74 3HG2 ILE 74 -3.115 5.148 1.541 532 HD11 ILE 74 3HD1 ILE 74 -0.771 2.359 1.753 533 HD12 ILE 74 1HD1 ILE 74 -1.287 0.692 1.496 534 HD13 ILE 74 2HD1 ILE 74 -0.183 1.460 0.355 535 H THR 75 H THR 75 -5.518 5.187 -0.449 536 HA THR 75 HA THR 75 -4.374 7.885 -0.207 537 HB THR 75 HB THR 75 -6.412 8.788 -1.355 538 HG1 THR 75 1HG THR 75 -7.538 6.653 -1.094 539 HG21 THR 75 3HG2 THR 75 -4.929 8.967 -3.012 540 HG22 THR 75 1HG2 THR 75 -5.514 7.421 -3.623 541 HG23 THR 75 2HG2 THR 75 -4.130 7.471 -2.531 542 H VAL 76 H VAL 76 -5.668 9.376 1.031 543 HA VAL 76 HA VAL 76 -6.671 8.302 3.409 544 HB VAL 76 HB VAL 76 -7.150 11.039 2.222 545 HG11 VAL 76 1HG1 VAL 76 -8.818 10.481 3.928 546 HG12 VAL 76 2HG1 VAL 76 -7.523 10.093 5.062 547 HG13 VAL 76 3HG1 VAL 76 -7.720 11.746 4.480 548 HG21 VAL 76 3HG2 VAL 76 -4.858 9.789 3.443 549 HG22 VAL 76 1HG2 VAL 76 -5.000 11.373 2.681 550 HG23 VAL 76 2HG2 VAL 76 -5.393 11.178 4.390 551 H GLN 77 H GLN 77 -8.645 7.686 4.083 552 HA GLN 77 HA GLN 77 -10.850 7.880 2.142 553 HB2 GLN 77 1HB GLN 77 -9.911 5.587 2.888 554 HB3 GLN 77 2HB GLN 77 -10.752 5.900 4.401 555 HG2 GLN 77 1HG GLN 77 -12.774 6.363 2.770 556 HG3 GLN 77 2HG GLN 77 -11.842 5.310 1.707 557 HE21 GLN 77 1HE2 GLN 77 -11.313 3.185 2.478 558 HE22 GLN 77 2HE2 GLN 77 -12.348 2.399 3.616 559 H ARG 78 H ARG 78 -9.837 8.537 5.394 560 HA ARG 78 HA ARG 78 -12.110 10.246 5.815 561 HB2 ARG 78 1HB ARG 78 -11.797 7.684 7.364 562 HB3 ARG 78 2HB ARG 78 -12.638 9.071 8.043 563 HG2 ARG 78 1HG ARG 78 -14.105 9.021 5.983 564 HG3 ARG 78 2HG ARG 78 -13.384 7.450 5.631 565 HD2 ARG 78 1HD ARG 78 -15.434 7.074 6.800 566 HD3 ARG 78 2HD ARG 78 -14.106 6.693 7.895 567 HE ARG 78 HE ARG 78 -14.743 9.323 8.387 568 HH11 ARG 78 1HH1 ARG 78 -16.399 6.263 8.496 569 HH12 ARG 78 2HH1 ARG 78 -17.475 6.743 9.767 570 HH21 ARG 78 1HH2 ARG 78 -16.153 9.967 10.060 571 HH22 ARG 78 2HH2 ARG 78 -17.335 8.850 10.655 572 H SER 79 H SER 79 -11.936 11.471 7.841 573 HA SER 79 HA SER 79 -9.507 12.647 8.235 574 HB2 SER 79 1HB SER 79 -11.809 13.336 9.149 575 HB3 SER 79 2HB SER 79 -11.436 12.298 10.525 576 HG SER 79 HG SER 79 -9.537 13.566 10.836 577 H LEU 80 H LEU 80 -7.690 12.274 9.383 578 HA LEU 80 HA LEU 80 -7.418 9.646 10.617 579 HB2 LEU 80 1HB LEU 80 -5.297 11.720 10.091 580 HB3 LEU 80 2HB LEU 80 -5.041 10.034 10.534 581 HG LEU 80 HG LEU 80 -6.504 10.651 8.010 582 HD11 LEU 80 1HD1 LEU 80 -3.501 10.687 8.240 583 HD12 LEU 80 2HD1 LEU 80 -4.508 12.117 8.017 584 HD13 LEU 80 3HD1 LEU 80 -4.458 10.871 6.770 585 HD21 LEU 80 3HD2 LEU 80 -6.139 8.337 9.018 586 HD22 LEU 80 1HD2 LEU 80 -4.446 8.536 8.566 587 HD23 LEU 80 2HD2 LEU 80 -5.698 8.558 7.324 588 H ASP 81 H ASP 81 -6.399 9.378 12.686 589 HA ASP 81 HA ASP 81 -6.661 11.714 14.460 590 HB2 ASP 81 1HB ASP 81 -7.562 8.876 14.972 591 HB3 ASP 81 2HB ASP 81 -7.416 10.091 16.239 592 H ARG 82 H ARG 82 -4.725 12.230 15.217 593 HA ARG 82 HA ARG 82 -2.566 10.330 15.273 594 HB2 ARG 82 1HB ARG 82 -2.539 12.930 14.828 595 HB3 ARG 82 2HB ARG 82 -2.383 13.013 16.578 596 HG2 ARG 82 1HG ARG 82 -0.394 11.543 16.422 597 HG3 ARG 82 2HG ARG 82 -0.525 11.621 14.663 598 HD2 ARG 82 1HD ARG 82 1.120 13.220 15.634 599 HD3 ARG 82 2HD ARG 82 -0.146 13.982 14.673 600 HE ARG 82 HE ARG 82 0.268 14.229 17.529 601 HH11 ARG 82 1HH1 ARG 82 -1.880 14.709 14.832 602 HH12 ARG 82 2HH1 ARG 82 -2.838 15.905 15.640 603 HH21 ARG 82 1HH2 ARG 82 -0.985 15.803 18.604 604 HH22 ARG 82 2HH2 ARG 82 -2.327 16.528 17.785 605 H GLU 83 H GLU 83 -4.515 12.057 17.676 606 HA GLU 83 HA GLU 83 -3.311 11.509 20.023 607 HB2 GLU 83 1HB GLU 83 -6.254 11.195 19.412 608 HB3 GLU 83 2HB GLU 83 -5.582 11.267 21.035 609 HG2 GLU 83 1HG GLU 83 -4.565 13.514 20.241 610 HG3 GLU 83 2HG GLU 83 -5.793 13.420 18.980 611 H GLU 84 H GLU 84 -5.250 9.203 18.156 612 HA GLU 84 HA GLU 84 -4.863 7.076 20.044 613 HB2 GLU 84 1HB GLU 84 -6.833 7.355 18.442 614 HB3 GLU 84 2HB GLU 84 -5.755 6.772 17.182 615 HG2 GLU 84 1HG GLU 84 -7.213 5.022 18.137 616 HG3 GLU 84 2HG GLU 84 -5.492 4.669 18.285 617 H THR 85 H THR 85 -3.755 7.594 16.693 618 HA THR 85 HA THR 85 -1.272 6.188 17.361 619 HB THR 85 HB THR 85 -2.760 4.525 16.305 620 HG1 THR 85 1HG THR 85 -0.698 5.271 14.493 621 HG21 THR 85 3HG2 THR 85 -3.834 6.437 14.851 622 HG22 THR 85 1HG2 THR 85 -3.750 4.784 14.244 623 HG23 THR 85 2HG2 THR 85 -2.571 5.981 13.708 624 H ALA 86 H ALA 86 0.431 7.337 16.742 625 HA ALA 86 HA ALA 86 0.061 9.561 14.897 626 HB1 ALA 86 3HB ALA 86 1.835 10.557 15.895 627 HB2 ALA 86 1HB ALA 86 1.394 9.463 17.206 628 HB3 ALA 86 2HB ALA 86 2.709 9.041 16.109 629 H ILE 87 H ILE 87 1.327 6.378 14.922 630 HA ILE 87 HA ILE 87 2.543 6.844 12.279 631 HB ILE 87 HB ILE 87 3.486 4.947 14.430 632 HG12 ILE 87 1HG1 ILE 87 4.973 7.189 13.054 633 HG13 ILE 87 2HG1 ILE 87 4.129 7.386 14.586 634 HG21 ILE 87 1HG2 ILE 87 3.671 3.801 12.344 635 HG22 ILE 87 2HG2 ILE 87 4.350 5.227 11.559 636 HG23 ILE 87 3HG2 ILE 87 5.280 4.370 12.788 637 HD11 ILE 87 3HD1 ILE 87 6.541 5.711 13.989 638 HD12 ILE 87 1HD1 ILE 87 6.377 7.039 15.137 639 HD13 ILE 87 2HD1 ILE 87 5.580 5.497 15.452 640 H HIS 88 H HIS 88 1.397 5.891 10.743 641 HA HIS 88 HA HIS 88 -0.208 3.528 11.407 642 HB2 HIS 88 1HB HIS 88 -0.398 5.651 9.307 643 HB3 HIS 88 2HB HIS 88 -1.116 4.074 8.995 644 HD1 HIS 88 1HD HIS 88 -2.789 3.285 11.095 645 HD2 HIS 88 2HD HIS 88 -2.113 7.343 10.519 646 HE1 HIS 88 1HE HIS 88 -4.678 4.455 12.272 647 HE2 HIS 88 2HE HIS 88 -4.294 6.906 11.838 648 H LYS 89 H LYS 89 0.732 1.643 11.011 649 HA LYS 89 HA LYS 89 2.637 1.432 8.787 650 HB2 LYS 89 1HB LYS 89 2.176 -0.335 11.194 651 HB3 LYS 89 2HB LYS 89 3.295 -0.721 9.894 652 HG2 LYS 89 1HG LYS 89 4.282 1.638 10.455 653 HG3 LYS 89 2HG LYS 89 3.488 1.365 12.008 654 HD2 LYS 89 1HD LYS 89 4.759 -0.587 12.420 655 HD3 LYS 89 2HD LYS 89 5.332 -0.655 10.752 656 HE2 LYS 89 1HE LYS 89 7.124 0.161 12.092 657 HE3 LYS 89 2HE LYS 89 6.501 1.520 11.157 658 HZ1 LYS 89 3HZ LYS 89 5.478 1.032 13.872 659 HZ2 LYS 89 1HZ LYS 89 5.573 2.484 13.008 660 HZ3 LYS 89 2HZ LYS 89 6.971 1.801 13.670 661 H VAL 90 H VAL 90 1.587 0.912 6.963 662 HA VAL 90 HA VAL 90 -0.394 -1.268 7.080 663 HB VAL 90 HB VAL 90 -0.134 0.907 4.998 664 HG11 VAL 90 1HG1 VAL 90 -1.458 -0.298 3.685 665 HG12 VAL 90 2HG1 VAL 90 -1.306 -1.641 4.820 666 HG13 VAL 90 3HG1 VAL 90 -2.634 -0.492 4.984 667 HG21 VAL 90 3HG2 VAL 90 -1.041 1.413 7.395 668 HG22 VAL 90 1HG2 VAL 90 -1.899 2.017 5.978 669 HG23 VAL 90 2HG2 VAL 90 -2.481 0.577 6.815 670 H THR 91 H THR 91 -0.031 -3.083 5.955 671 HA THR 91 HA THR 91 2.315 -3.136 4.171 672 HB THR 91 HB THR 91 1.160 -5.427 5.771 673 HG1 THR 91 1HG THR 91 2.797 -3.460 6.503 674 HG21 THR 91 3HG2 THR 91 3.673 -5.260 4.104 675 HG22 THR 91 1HG2 THR 91 2.208 -6.137 3.667 676 HG23 THR 91 2HG2 THR 91 3.157 -6.646 5.064 677 H VAL 92 H VAL 92 1.987 -3.636 2.103 678 HA VAL 92 HA VAL 92 -0.656 -4.658 1.324 679 HB VAL 92 HB VAL 92 1.385 -3.398 -0.503 680 HG11 VAL 92 1HG1 VAL 92 -1.264 -2.951 -1.343 681 HG12 VAL 92 2HG1 VAL 92 -0.051 -3.994 -2.089 682 HG13 VAL 92 3HG1 VAL 92 -1.160 -4.651 -0.885 683 HG21 VAL 92 3HG2 VAL 92 0.693 -1.306 0.003 684 HG22 VAL 92 1HG2 VAL 92 -0.959 -1.821 0.347 685 HG23 VAL 92 2HG2 VAL 92 0.305 -2.044 1.558 686 H LEU 93 H LEU 93 -0.872 -6.413 -0.044 687 HA LEU 93 HA LEU 93 1.552 -8.055 -0.361 688 HB2 LEU 93 1HB LEU 93 -1.324 -8.948 -0.239 689 HB3 LEU 93 2HB LEU 93 0.086 -9.997 -0.366 690 HG LEU 93 HG LEU 93 -0.525 -8.219 1.995 691 HD11 LEU 93 1HD1 LEU 93 -2.087 -10.216 1.481 692 HD12 LEU 93 2HD1 LEU 93 -1.430 -10.035 3.107 693 HD13 LEU 93 3HD1 LEU 93 -0.718 -11.204 1.994 694 HD21 LEU 93 3HD2 LEU 93 1.668 -10.128 1.318 695 HD22 LEU 93 1HD2 LEU 93 1.168 -9.931 2.997 696 HD23 LEU 93 2HD2 LEU 93 1.754 -8.541 2.083 697 H ALA 94 H ALA 94 2.001 -9.017 -2.318 698 HA ALA 94 HA ALA 94 0.312 -8.177 -4.585 699 HB1 ALA 94 3HB ALA 94 2.325 -6.929 -4.722 700 HB2 ALA 94 1HB ALA 94 3.311 -8.356 -4.403 701 HB3 ALA 94 2HB ALA 94 2.439 -8.210 -5.930 702 H SER 95 H SER 95 -0.761 -9.908 -5.283 703 HA SER 95 HA SER 95 0.696 -12.462 -5.491 704 HB2 SER 95 1HB SER 95 -1.366 -12.222 -3.899 705 HB3 SER 95 2HB SER 95 -2.301 -12.320 -5.391 706 HG SER 95 HG SER 95 -0.458 -14.231 -4.392 707 H ASP 96 H ASP 96 1.341 -12.624 -7.548 708 HA ASP 96 HA ASP 96 -0.582 -11.956 -9.674 709 HB2 ASP 96 1HB ASP 96 1.182 -11.387 -11.078 710 HB3 ASP 96 2HB ASP 96 1.765 -10.835 -9.511 711 H GLY 97 H GLY 97 -0.325 -14.483 -8.067 712 HA2 GLY 97 1HA GLY 97 -1.088 -16.595 -8.911 713 HA3 GLY 97 2HA GLY 97 -0.176 -16.293 -10.383 714 H SER 98 H SER 98 0.815 -16.080 -6.978 715 HA SER 98 HA SER 98 2.708 -18.277 -7.462 716 HB2 SER 98 1HB SER 98 4.501 -17.083 -6.406 717 HB3 SER 98 2HB SER 98 3.823 -16.018 -7.637 718 HG SER 98 HG SER 98 4.132 -14.901 -5.687 719 H SER 99 H SER 99 3.556 -19.237 -5.453 720 HA SER 99 HA SER 99 1.651 -20.186 -3.769 721 HB2 SER 99 1HB SER 99 4.545 -19.641 -3.062 722 HB3 SER 99 2HB SER 99 3.468 -20.711 -2.165 723 HG SER 99 HG SER 99 4.858 -21.747 -3.763 724 H THR 100 H THR 100 3.877 -17.543 -2.875 725 HA THR 100 HA THR 100 1.732 -16.419 -1.203 726 HB THR 100 HB THR 100 4.640 -16.681 -0.414 727 HG1 THR 100 1HG THR 100 2.645 -18.343 -0.108 728 HG21 THR 100 3HG2 THR 100 2.497 -15.588 1.364 729 HG22 THR 100 1HG2 THR 100 3.306 -14.527 0.212 730 HG23 THR 100 2HG2 THR 100 4.244 -15.364 1.449 731 HA PRO 101 HA PRO 101 2.640 -12.694 -3.386 732 HB2 PRO 101 1HB PRO 101 1.426 -10.947 -1.699 733 HB3 PRO 101 2HB PRO 101 0.529 -12.015 -2.785 734 HG2 PRO 101 1HG PRO 101 1.114 -12.338 0.133 735 HG3 PRO 101 2HG PRO 101 -0.397 -12.639 -0.745 736 HD2 PRO 101 1HD PRO 101 1.296 -14.629 -0.032 737 HD3 PRO 101 2HD PRO 101 0.310 -14.697 -1.507 738 H ALA 102 H ALA 102 3.533 -10.457 -2.908 739 HA ALA 102 HA ALA 102 5.930 -10.764 -1.315 740 HB1 ALA 102 3HB ALA 102 6.624 -8.655 -2.303 741 HB2 ALA 102 1HB ALA 102 6.042 -9.759 -3.549 742 HB3 ALA 102 2HB ALA 102 5.019 -8.433 -2.997 743 H ARG 103 H ARG 103 6.649 -8.876 0.055 744 HA ARG 103 HA ARG 103 4.377 -7.741 1.547 745 HB2 ARG 103 1HB ARG 103 6.843 -9.113 2.579 746 HB3 ARG 103 2HB ARG 103 5.989 -7.936 3.567 747 HG2 ARG 103 1HG ARG 103 3.912 -9.439 2.924 748 HG3 ARG 103 2HG ARG 103 5.173 -10.658 2.724 749 HD2 ARG 103 1HD ARG 103 5.975 -10.115 5.013 750 HD3 ARG 103 2HD ARG 103 4.598 -9.029 5.195 751 HE ARG 103 HE ARG 103 3.511 -11.439 4.484 752 HH11 ARG 103 1HH1 ARG 103 5.575 -10.299 7.045 753 HH12 ARG 103 2HH1 ARG 103 5.008 -11.462 8.197 754 HH21 ARG 103 1HH2 ARG 103 2.756 -12.976 5.992 755 HH22 ARG 103 2HH2 ARG 103 3.405 -12.984 7.597 756 H ALA 104 H ALA 104 4.430 -5.603 1.771 757 HA ALA 104 HA ALA 104 7.013 -4.213 1.649 758 HB1 ALA 104 3HB ALA 104 4.579 -3.487 0.024 759 HB2 ALA 104 1HB ALA 104 6.026 -2.490 0.179 760 HB3 ALA 104 2HB ALA 104 6.124 -4.075 -0.590 761 H THR 105 H THR 105 7.224 -3.034 3.423 762 HA THR 105 HA THR 105 4.863 -2.223 4.925 763 HB THR 105 HB THR 105 7.788 -1.940 5.643 764 HG1 THR 105 1HG THR 105 7.003 -3.702 7.169 765 HG21 THR 105 3HG2 THR 105 6.495 -1.910 7.991 766 HG22 THR 105 1HG2 THR 105 5.260 -1.163 6.979 767 HG23 THR 105 2HG2 THR 105 6.867 -0.443 7.086 768 H VAL 106 H VAL 106 4.187 -0.162 5.201 769 HA VAL 106 HA VAL 106 5.817 1.992 4.030 770 HB VAL 106 HB VAL 106 2.832 1.648 3.707 771 HG11 VAL 106 1HG1 VAL 106 2.861 3.705 2.451 772 HG12 VAL 106 2HG1 VAL 106 3.529 3.999 4.057 773 HG13 VAL 106 3HG1 VAL 106 4.604 3.855 2.666 774 HG21 VAL 106 3HG2 VAL 106 3.523 0.361 1.994 775 HG22 VAL 106 1HG2 VAL 106 3.858 1.905 1.210 776 HG23 VAL 106 2HG2 VAL 106 5.156 1.026 2.018 777 H THR 107 H THR 107 6.471 2.987 5.860 778 HA THR 107 HA THR 107 4.734 3.358 8.119 779 HB THR 107 HB THR 107 7.401 4.688 7.622 780 HG1 THR 107 1HG THR 107 8.109 2.688 7.735 781 HG21 THR 107 3HG2 THR 107 6.468 3.918 10.324 782 HG22 THR 107 1HG2 THR 107 5.637 5.271 9.557 783 HG23 THR 107 2HG2 THR 107 7.383 5.332 9.801 784 H ILE 108 H ILE 108 3.398 5.002 8.497 785 HA ILE 108 HA ILE 108 3.621 7.393 6.790 786 HB ILE 108 HB ILE 108 1.159 6.254 8.120 787 HG12 ILE 108 1HG1 ILE 108 1.522 6.556 5.164 788 HG13 ILE 108 2HG1 ILE 108 2.254 5.179 5.980 789 HG21 ILE 108 1HG2 ILE 108 1.324 8.566 6.199 790 HG22 ILE 108 2HG2 ILE 108 -0.085 8.005 7.097 791 HG23 ILE 108 3HG2 ILE 108 1.262 8.755 7.951 792 HD11 ILE 108 3HD1 ILE 108 -0.529 5.584 6.715 793 HD12 ILE 108 1HD1 ILE 108 -0.296 5.299 4.990 794 HD13 ILE 108 2HD1 ILE 108 0.303 4.129 6.167 795 H ASN 109 H ASN 109 4.302 9.153 7.798 796 HA ASN 109 HA ASN 109 4.060 9.331 10.707 797 HB2 ASN 109 1HB ASN 109 5.681 10.935 8.721 798 HB3 ASN 109 2HB ASN 109 5.642 11.260 10.452 799 HD21 ASN 109 1HD2 ASN 109 6.669 9.050 7.969 800 HD22 ASN 109 2HD2 ASN 109 7.783 8.159 8.944 801 H VAL 110 H VAL 110 2.377 10.372 11.523 802 HA VAL 110 HA VAL 110 0.844 12.225 9.911 803 HB VAL 110 HB VAL 110 0.454 11.237 12.738 804 HG11 VAL 110 1HG1 VAL 110 -1.351 12.988 11.072 805 HG12 VAL 110 2HG1 VAL 110 -1.744 12.305 12.650 806 HG13 VAL 110 3HG1 VAL 110 -0.448 13.492 12.500 807 HG21 VAL 110 3HG2 VAL 110 -0.485 10.379 10.069 808 HG22 VAL 110 1HG2 VAL 110 -0.180 9.432 11.525 809 HG23 VAL 110 2HG2 VAL 110 -1.676 10.354 11.370 810 H THR 111 H THR 111 1.233 14.327 9.831 811 HA THR 111 HA THR 111 2.769 15.572 12.007 812 HB THR 111 HB THR 111 3.338 17.343 10.441 813 HG1 THR 111 1HG THR 111 1.245 16.990 9.231 814 HG21 THR 111 3HG2 THR 111 4.958 16.169 9.365 815 HG22 THR 111 1HG2 THR 111 3.826 14.973 8.735 816 HG23 THR 111 2HG2 THR 111 4.379 14.869 10.407 817 H ASP 112 H ASP 112 2.215 17.841 12.531 818 HA ASP 112 HA ASP 112 -0.602 18.065 13.046 819 HB2 ASP 112 1HB ASP 112 1.491 20.175 13.567 820 HB3 ASP 112 2HB ASP 112 -0.051 19.954 14.389 821 H VAL 113 H VAL 113 -1.666 20.274 12.694 822 HA VAL 113 HA VAL 113 -0.945 21.376 10.064 823 HB VAL 113 HB VAL 113 -3.444 21.577 9.623 824 HG11 VAL 113 1HG1 VAL 113 -1.844 19.935 8.565 825 HG12 VAL 113 2HG1 VAL 113 -2.436 18.744 9.724 826 HG13 VAL 113 3HG1 VAL 113 -3.543 19.466 8.556 827 HG21 VAL 113 3HG2 VAL 113 -3.537 20.389 12.203 828 HG22 VAL 113 1HG2 VAL 113 -4.877 20.889 11.172 829 HG23 VAL 113 2HG2 VAL 113 -4.231 19.253 11.047 830 H ASN 114 H ASN 114 -0.554 23.469 10.295 831 HA ASN 114 HA ASN 114 -1.784 24.944 12.491 832 HB2 ASN 114 1HB ASN 114 0.329 25.877 10.538 833 HB3 ASN 114 2HB ASN 114 -0.139 26.664 12.043 834 HD21 ASN 114 1HD2 ASN 114 0.657 25.925 13.958 835 HD22 ASN 114 2HD2 ASN 114 1.869 24.700 14.077 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.353 -3.672 -37.539 2 HA2 GLY 1 1HA GLY 1 4.759 -4.197 -34.953 3 HA3 GLY 1 2HA GLY 1 3.989 -5.532 -35.797 4 H SER 2 H SER 2 5.981 -5.976 -33.942 5 HA SER 2 HA SER 2 8.024 -7.186 -35.644 6 HB2 SER 2 1HB SER 2 8.554 -5.232 -33.419 7 HB3 SER 2 2HB SER 2 9.746 -6.459 -33.845 8 HG SER 2 HG SER 2 8.830 -4.265 -35.329 9 H SER 3 H SER 3 9.332 -8.804 -34.451 10 HA SER 3 HA SER 3 7.664 -10.136 -32.428 11 HB2 SER 3 1HB SER 3 9.504 -11.150 -34.564 12 HB3 SER 3 2HB SER 3 9.226 -12.135 -33.127 13 HG SER 3 HG SER 3 7.582 -12.763 -34.327 14 H GLY 4 H GLY 4 8.381 -9.405 -30.492 15 HA2 GLY 4 1HA GLY 4 10.965 -10.309 -29.603 16 HA3 GLY 4 2HA GLY 4 10.853 -8.559 -29.718 17 H SER 5 H SER 5 10.471 -11.158 -27.698 18 HA SER 5 HA SER 5 9.087 -9.503 -25.734 19 HB2 SER 5 1HB SER 5 7.364 -10.929 -26.891 20 HB3 SER 5 2HB SER 5 8.208 -12.347 -26.268 21 HG SER 5 HG SER 5 6.989 -10.277 -24.758 22 H SER 6 H SER 6 9.449 -10.142 -23.560 23 HA SER 6 HA SER 6 11.401 -12.274 -23.115 24 HB2 SER 6 1HB SER 6 12.417 -9.843 -23.412 25 HB3 SER 6 2HB SER 6 11.900 -9.670 -21.735 26 HG SER 6 HG SER 6 13.078 -11.743 -21.426 27 H GLY 7 H GLY 7 11.520 -12.998 -20.925 28 HA2 GLY 7 1HA GLY 7 9.504 -11.942 -19.083 29 HA3 GLY 7 2HA GLY 7 9.353 -13.623 -19.574 30 H ASN 8 H ASN 8 12.193 -11.649 -18.736 31 HA ASN 8 HA ASN 8 13.538 -13.682 -17.385 32 HB2 ASN 8 1HB ASN 8 13.738 -10.677 -17.176 33 HB3 ASN 8 2HB ASN 8 14.821 -11.763 -16.310 34 HD21 ASN 8 1HD2 ASN 8 16.568 -12.482 -17.321 35 HD22 ASN 8 2HD2 ASN 8 16.889 -12.313 -19.010 36 H ASP 9 H ASP 9 11.817 -10.910 -15.938 37 HA ASP 9 HA ASP 9 11.794 -12.223 -13.355 38 HB2 ASP 9 1HB ASP 9 11.043 -9.516 -14.376 39 HB3 ASP 9 2HB ASP 9 10.359 -10.062 -12.848 40 H ASN 10 H ASN 10 10.290 -13.652 -12.832 41 HA ASN 10 HA ASN 10 7.739 -13.654 -14.252 42 HB2 ASN 10 1HB ASN 10 8.999 -15.670 -12.381 43 HB3 ASN 10 2HB ASN 10 7.418 -15.868 -13.132 44 HD21 ASN 10 1HD2 ASN 10 7.449 -15.596 -15.567 45 HD22 ASN 10 2HD2 ASN 10 8.749 -16.366 -16.406 46 H ARG 11 H ARG 11 9.079 -13.160 -11.059 47 HA ARG 11 HA ARG 11 6.394 -12.842 -9.928 48 HB2 ARG 11 1HB ARG 11 7.567 -12.757 -7.745 49 HB3 ARG 11 2HB ARG 11 7.876 -14.244 -8.632 50 HG2 ARG 11 1HG ARG 11 10.056 -13.508 -9.254 51 HG3 ARG 11 2HG ARG 11 9.747 -11.889 -8.622 52 HD2 ARG 11 1HD ARG 11 10.909 -12.755 -6.864 53 HD3 ARG 11 2HD ARG 11 9.281 -13.244 -6.398 54 HE ARG 11 HE ARG 11 9.937 -15.413 -6.626 55 HH11 ARG 11 1HH1 ARG 11 12.099 -13.405 -8.474 56 HH12 ARG 11 2HH1 ARG 11 13.151 -14.711 -8.908 57 HH21 ARG 11 1HH2 ARG 11 11.314 -17.141 -7.191 58 HH22 ARG 11 2HH2 ARG 11 12.703 -16.836 -8.178 59 HA PRO 12 HA PRO 12 6.610 -8.449 -10.100 60 HB2 PRO 12 1HB PRO 12 4.870 -7.853 -8.104 61 HB3 PRO 12 2HB PRO 12 4.352 -8.472 -9.677 62 HG2 PRO 12 1HG PRO 12 4.719 -9.937 -7.092 63 HG3 PRO 12 2HG PRO 12 3.410 -10.075 -8.280 64 HD2 PRO 12 1HD PRO 12 5.446 -11.855 -8.141 65 HD3 PRO 12 2HD PRO 12 4.646 -11.437 -9.670 66 H VAL 13 H VAL 13 7.463 -6.656 -9.010 67 HA VAL 13 HA VAL 13 8.651 -7.166 -6.369 68 HB VAL 13 HB VAL 13 10.452 -7.474 -7.948 69 HG11 VAL 13 1HG1 VAL 13 11.139 -5.652 -9.470 70 HG12 VAL 13 2HG1 VAL 13 9.547 -6.307 -9.860 71 HG13 VAL 13 3HG1 VAL 13 9.685 -4.762 -9.020 72 HG21 VAL 13 3HG2 VAL 13 11.891 -5.441 -7.282 73 HG22 VAL 13 1HG2 VAL 13 10.476 -4.933 -6.360 74 HG23 VAL 13 2HG2 VAL 13 11.254 -6.475 -6.003 75 H PHE 14 H PHE 14 8.570 -5.493 -4.960 76 HA PHE 14 HA PHE 14 6.957 -3.214 -5.704 77 HB2 PHE 14 1HB PHE 14 8.089 -4.245 -3.120 78 HB3 PHE 14 2HB PHE 14 7.414 -2.622 -3.215 79 HD1 PHE 14 1HD PHE 14 5.109 -2.929 -4.924 80 HD2 PHE 14 2HD PHE 14 6.615 -5.543 -1.921 81 HE1 PHE 14 1HE PHE 14 2.850 -3.849 -4.596 82 HE2 PHE 14 2HE PHE 14 4.360 -6.468 -1.590 83 HZ PHE 14 HZ PHE 14 2.474 -5.621 -2.928 84 H LYS 15 H LYS 15 7.634 -1.187 -6.074 85 HA LYS 15 HA LYS 15 10.319 -0.643 -6.666 86 HB2 LYS 15 1HB LYS 15 8.373 0.581 -7.613 87 HB3 LYS 15 2HB LYS 15 8.132 1.351 -6.050 88 HG2 LYS 15 1HG LYS 15 10.182 2.531 -6.217 89 HG3 LYS 15 2HG LYS 15 10.683 1.587 -7.622 90 HD2 LYS 15 1HD LYS 15 8.198 3.275 -7.655 91 HD3 LYS 15 2HD LYS 15 9.785 3.951 -8.032 92 HE2 LYS 15 1HE LYS 15 10.036 2.597 -9.926 93 HE3 LYS 15 2HE LYS 15 8.759 1.494 -9.415 94 HZ1 LYS 15 3HZ LYS 15 7.372 3.733 -9.617 95 HZ2 LYS 15 1HZ LYS 15 7.595 2.678 -10.921 96 HZ3 LYS 15 2HZ LYS 15 8.560 4.059 -10.776 97 H GLU 16 H GLU 16 8.367 0.111 -3.812 98 HA GLU 16 HA GLU 16 10.847 0.546 -2.315 99 HB2 GLU 16 1HB GLU 16 9.781 2.478 -1.139 100 HB3 GLU 16 2HB GLU 16 10.143 2.779 -2.833 101 HG2 GLU 16 1HG GLU 16 8.038 3.673 -2.617 102 HG3 GLU 16 2HG GLU 16 7.692 2.059 -3.235 103 H GLY 17 H GLY 17 10.867 -0.466 -0.402 104 HA2 GLY 17 1HA GLY 17 8.412 -1.823 0.438 105 HA3 GLY 17 2HA GLY 17 10.041 -2.202 0.976 106 H GLN 18 H GLN 18 11.070 -0.717 2.482 107 HA GLN 18 HA GLN 18 9.109 0.346 4.362 108 HB2 GLN 18 1HB GLN 18 12.070 -0.189 4.621 109 HB3 GLN 18 2HB GLN 18 11.085 0.513 5.898 110 HG2 GLN 18 1HG GLN 18 9.628 -1.588 5.638 111 HG3 GLN 18 2HG GLN 18 11.010 -2.257 4.773 112 HE21 GLN 18 1HE2 GLN 18 9.841 -3.118 7.278 113 HE22 GLN 18 2HE2 GLN 18 11.093 -3.017 8.464 114 H VAL 19 H VAL 19 8.503 2.366 3.853 115 HA VAL 19 HA VAL 19 10.619 4.390 3.621 116 HB VAL 19 HB VAL 19 8.165 4.239 1.866 117 HG11 VAL 19 1HG1 VAL 19 9.281 6.260 0.775 118 HG12 VAL 19 2HG1 VAL 19 8.462 6.523 2.316 119 HG13 VAL 19 3HG1 VAL 19 10.221 6.392 2.261 120 HG21 VAL 19 3HG2 VAL 19 9.696 2.784 0.907 121 HG22 VAL 19 1HG2 VAL 19 10.045 4.305 0.084 122 HG23 VAL 19 2HG2 VAL 19 11.083 3.756 1.400 123 H GLU 20 H GLU 20 9.902 6.570 4.146 124 HA GLU 20 HA GLU 20 7.600 6.560 5.987 125 HB2 GLU 20 1HB GLU 20 10.262 7.956 6.183 126 HB3 GLU 20 2HB GLU 20 8.871 8.470 7.127 127 HG2 GLU 20 1HG GLU 20 9.835 7.078 8.629 128 HG3 GLU 20 2HG GLU 20 8.820 5.913 7.782 129 H VAL 21 H VAL 21 6.131 8.195 5.861 130 HA VAL 21 HA VAL 21 6.627 10.329 3.897 131 HB VAL 21 HB VAL 21 4.273 10.165 3.154 132 HG11 VAL 21 1HG1 VAL 21 6.281 8.946 2.085 133 HG12 VAL 21 2HG1 VAL 21 5.539 7.483 2.735 134 HG13 VAL 21 3HG1 VAL 21 4.652 8.489 1.589 135 HG21 VAL 21 3HG2 VAL 21 4.154 7.488 4.511 136 HG22 VAL 21 1HG2 VAL 21 3.570 8.956 5.294 137 HG23 VAL 21 2HG2 VAL 21 2.843 8.415 3.781 138 H HIS 22 H HIS 22 5.646 12.308 4.319 139 HA HIS 22 HA HIS 22 4.557 12.582 7.041 140 HB2 HIS 22 1HB HIS 22 5.753 14.819 5.415 141 HB3 HIS 22 2HB HIS 22 5.486 14.756 7.155 142 HD1 HIS 22 1HD HIS 22 8.044 14.263 4.651 143 HD2 HIS 22 2HD HIS 22 7.269 12.788 8.457 144 HE1 HIS 22 1HE HIS 22 10.221 13.292 5.453 145 HE2 HIS 22 2HE HIS 22 9.706 12.330 7.723 146 H ILE 23 H ILE 23 2.445 12.918 7.131 147 HA ILE 23 HA ILE 23 1.198 14.736 5.213 148 HB ILE 23 HB ILE 23 0.866 12.443 4.323 149 HG12 ILE 23 1HG1 ILE 23 -1.521 14.005 5.299 150 HG13 ILE 23 2HG1 ILE 23 -0.779 14.038 3.704 151 HG21 ILE 23 1HG2 ILE 23 -0.921 11.908 6.670 152 HG22 ILE 23 2HG2 ILE 23 -0.297 10.778 5.470 153 HG23 ILE 23 3HG2 ILE 23 0.783 11.454 6.690 154 HD11 ILE 23 3HD1 ILE 23 -2.534 11.943 4.916 155 HD12 ILE 23 1HD1 ILE 23 -2.733 12.824 3.402 156 HD13 ILE 23 2HD1 ILE 23 -1.487 11.583 3.543 157 HA PRO 24 HA PRO 24 -0.699 16.206 8.919 158 HB2 PRO 24 1HB PRO 24 -2.608 17.756 7.770 159 HB3 PRO 24 2HB PRO 24 -0.903 18.216 7.826 160 HG2 PRO 24 1HG PRO 24 -2.461 16.988 5.584 161 HG3 PRO 24 2HG PRO 24 -1.271 18.301 5.531 162 HD2 PRO 24 1HD PRO 24 -0.661 15.754 4.846 163 HD3 PRO 24 2HD PRO 24 0.519 16.851 5.592 164 H GLU 25 H GLU 25 -2.490 15.806 10.191 165 HA GLU 25 HA GLU 25 -4.069 13.548 9.527 166 HB2 GLU 25 1HB GLU 25 -5.251 14.038 11.658 167 HB3 GLU 25 2HB GLU 25 -3.503 13.975 11.830 168 HG2 GLU 25 1HG GLU 25 -3.966 15.837 13.053 169 HG3 GLU 25 2HG GLU 25 -3.690 16.565 11.472 170 H ASN 26 H ASN 26 -4.440 16.901 8.956 171 HA ASN 26 HA ASN 26 -7.325 16.710 8.580 172 HB2 ASN 26 1HB ASN 26 -6.640 18.726 9.648 173 HB3 ASN 26 2HB ASN 26 -5.380 19.014 8.451 174 HD21 ASN 26 1HD2 ASN 26 -6.049 20.968 7.740 175 HD22 ASN 26 2HD2 ASN 26 -7.546 21.238 6.920 176 H ALA 27 H ALA 27 -4.659 15.966 6.817 177 HA ALA 27 HA ALA 27 -4.685 17.000 4.358 178 HB1 ALA 27 3HB ALA 27 -4.684 14.056 5.004 179 HB2 ALA 27 1HB ALA 27 -4.223 14.739 3.444 180 HB3 ALA 27 2HB ALA 27 -3.283 15.122 4.887 181 HA PRO 28 HA PRO 28 -8.726 16.741 2.631 182 HB2 PRO 28 1HB PRO 28 -8.081 16.889 -0.001 183 HB3 PRO 28 2HB PRO 28 -8.001 18.279 1.087 184 HG2 PRO 28 1HG PRO 28 -5.799 16.487 0.140 185 HG3 PRO 28 2HG PRO 28 -5.812 18.252 0.303 186 HD2 PRO 28 1HD PRO 28 -4.659 16.629 2.138 187 HD3 PRO 28 2HD PRO 28 -5.422 18.172 2.573 188 H VAL 29 H VAL 29 -10.013 15.039 2.332 189 HA VAL 29 HA VAL 29 -9.122 12.426 1.972 190 HB VAL 29 HB VAL 29 -11.823 13.689 1.584 191 HG11 VAL 29 1HG1 VAL 29 -12.364 11.970 0.256 192 HG12 VAL 29 2HG1 VAL 29 -10.912 11.062 0.682 193 HG13 VAL 29 3HG1 VAL 29 -12.329 11.006 1.732 194 HG21 VAL 29 3HG2 VAL 29 -12.365 12.727 3.649 195 HG22 VAL 29 1HG2 VAL 29 -11.008 11.603 3.582 196 HG23 VAL 29 2HG2 VAL 29 -10.719 13.319 3.867 197 H GLY 30 H GLY 30 -8.637 11.203 0.248 198 HA2 GLY 30 1HA GLY 30 -8.987 10.510 -2.024 199 HA3 GLY 30 2HA GLY 30 -9.417 12.167 -2.422 200 H THR 31 H THR 31 -6.751 12.058 -0.377 201 HA THR 31 HA THR 31 -5.003 12.929 -2.501 202 HB THR 31 HB THR 31 -4.415 12.539 0.440 203 HG1 THR 31 1HG THR 31 -6.003 14.252 -0.521 204 HG21 THR 31 3HG2 THR 31 -2.286 12.929 -0.083 205 HG22 THR 31 1HG2 THR 31 -2.758 14.498 -0.733 206 HG23 THR 31 2HG2 THR 31 -2.704 13.087 -1.789 207 H SER 32 H SER 32 -3.152 11.921 -3.230 208 HA SER 32 HA SER 32 -3.111 9.037 -2.919 209 HB2 SER 32 1HB SER 32 -2.771 9.529 -5.146 210 HB3 SER 32 2HB SER 32 -1.864 11.000 -4.793 211 HG SER 32 HG SER 32 -0.968 8.319 -4.569 212 H VAL 33 H VAL 33 -2.137 8.296 -1.142 213 HA VAL 33 HA VAL 33 0.040 9.659 0.127 214 HB VAL 33 HB VAL 33 -0.828 6.825 0.672 215 HG11 VAL 33 1HG1 VAL 33 0.344 8.928 2.489 216 HG12 VAL 33 2HG1 VAL 33 0.012 7.243 2.893 217 HG13 VAL 33 3HG1 VAL 33 1.265 7.638 1.716 218 HG21 VAL 33 3HG2 VAL 33 -2.870 7.773 0.976 219 HG22 VAL 33 1HG2 VAL 33 -2.164 8.189 2.537 220 HG23 VAL 33 2HG2 VAL 33 -2.206 9.385 1.242 221 H ILE 34 H ILE 34 -0.125 6.305 -1.076 222 HA ILE 34 HA ILE 34 2.572 6.646 -2.193 223 HB ILE 34 HB ILE 34 2.730 5.490 -0.001 224 HG12 ILE 34 1HG1 ILE 34 3.955 3.445 -0.919 225 HG13 ILE 34 2HG1 ILE 34 3.425 3.970 -2.513 226 HG21 ILE 34 1HG2 ILE 34 1.863 2.917 -0.562 227 HG22 ILE 34 2HG2 ILE 34 1.103 4.069 0.534 228 HG23 ILE 34 3HG2 ILE 34 0.558 3.954 -1.139 229 HD11 ILE 34 3HD1 ILE 34 5.660 4.843 -0.983 230 HD12 ILE 34 1HD1 ILE 34 5.198 5.278 -2.628 231 HD13 ILE 34 2HD1 ILE 34 4.580 6.209 -1.263 232 H GLN 35 H GLN 35 3.072 5.322 -3.971 233 HA GLN 35 HA GLN 35 0.773 3.916 -5.160 234 HB2 GLN 35 1HB GLN 35 1.546 6.212 -6.163 235 HB3 GLN 35 2HB GLN 35 2.837 5.250 -6.870 236 HG2 GLN 35 1HG GLN 35 -0.102 5.136 -7.384 237 HG3 GLN 35 2HG GLN 35 1.230 5.288 -8.530 238 HE21 GLN 35 1HE2 GLN 35 -1.108 3.314 -7.861 239 HE22 GLN 35 2HE2 GLN 35 -0.359 1.773 -8.079 240 H LEU 36 H LEU 36 1.153 1.829 -5.446 241 HA LEU 36 HA LEU 36 3.933 0.902 -5.604 242 HB2 LEU 36 1HB LEU 36 1.377 -0.329 -4.687 243 HB3 LEU 36 2HB LEU 36 2.673 -1.375 -5.266 244 HG LEU 36 HG LEU 36 2.934 0.587 -2.989 245 HD11 LEU 36 1HD1 LEU 36 1.444 -1.089 -2.251 246 HD12 LEU 36 2HD1 LEU 36 3.031 -1.533 -1.622 247 HD13 LEU 36 3HD1 LEU 36 2.377 -2.367 -3.031 248 HD21 LEU 36 3HD2 LEU 36 4.846 -0.855 -4.552 249 HD22 LEU 36 1HD2 LEU 36 4.857 -1.467 -2.898 250 HD23 LEU 36 2HD2 LEU 36 5.116 0.251 -3.204 251 H HIS 37 H HIS 37 4.692 0.470 -7.558 252 HA HIS 37 HA HIS 37 2.814 -0.461 -9.628 253 HB2 HIS 37 1HB HIS 37 4.199 1.782 -9.831 254 HB3 HIS 37 2HB HIS 37 5.483 0.685 -10.331 255 HD1 HIS 37 1HD HIS 37 2.109 1.949 -11.391 256 HD2 HIS 37 2HD HIS 37 5.205 -0.392 -12.874 257 HE1 HIS 37 1HE HIS 37 1.591 1.614 -13.829 258 HE2 HIS 37 2HE HIS 37 3.432 0.124 -14.685 259 H ALA 38 H ALA 38 2.951 -2.618 -9.708 260 HA ALA 38 HA ALA 38 5.623 -3.853 -9.634 261 HB1 ALA 38 3HB ALA 38 2.913 -4.937 -8.913 262 HB2 ALA 38 1HB ALA 38 4.324 -5.971 -9.141 263 HB3 ALA 38 2HB ALA 38 4.326 -4.741 -7.876 264 H THR 39 H THR 39 6.194 -5.395 -11.180 265 HA THR 39 HA THR 39 4.487 -5.435 -13.584 266 HB THR 39 HB THR 39 6.663 -5.818 -14.846 267 HG1 THR 39 1HG THR 39 8.293 -6.119 -13.513 268 HG21 THR 39 3HG2 THR 39 6.970 -3.139 -13.694 269 HG22 THR 39 1HG2 THR 39 5.328 -3.520 -14.212 270 HG23 THR 39 2HG2 THR 39 6.663 -3.627 -15.360 271 H ASP 40 H ASP 40 4.463 -7.356 -14.831 272 HA ASP 40 HA ASP 40 5.714 -9.732 -13.703 273 HB2 ASP 40 1HB ASP 40 3.321 -9.288 -12.730 274 HB3 ASP 40 2HB ASP 40 2.780 -9.885 -14.297 275 H ALA 41 H ALA 41 4.792 -11.709 -15.142 276 HA ALA 41 HA ALA 41 5.973 -11.672 -17.557 277 HB1 ALA 41 3HB ALA 41 3.533 -13.135 -17.888 278 HB2 ALA 41 1HB ALA 41 5.174 -13.739 -17.651 279 HB3 ALA 41 2HB ALA 41 4.157 -13.376 -16.256 280 H ASP 42 H ASP 42 5.830 -9.889 -18.837 281 HA ASP 42 HA ASP 42 3.688 -8.287 -19.393 282 HB2 ASP 42 1HB ASP 42 6.108 -9.069 -20.958 283 HB3 ASP 42 2HB ASP 42 4.849 -8.144 -21.772 284 H ILE 43 H ILE 43 4.340 -11.482 -20.634 285 HA ILE 43 HA ILE 43 2.613 -11.516 -22.831 286 HB ILE 43 HB ILE 43 2.489 -13.992 -22.447 287 HG12 ILE 43 1HG1 ILE 43 4.386 -14.605 -20.646 288 HG13 ILE 43 2HG1 ILE 43 3.765 -13.135 -19.904 289 HG21 ILE 43 1HG2 ILE 43 4.690 -14.382 -23.162 290 HG22 ILE 43 2HG2 ILE 43 4.328 -12.738 -23.687 291 HG23 ILE 43 3HG2 ILE 43 5.319 -13.007 -22.254 292 HD11 ILE 43 3HD1 ILE 43 2.113 -14.304 -19.031 293 HD12 ILE 43 1HD1 ILE 43 1.538 -14.692 -20.653 294 HD13 ILE 43 2HD1 ILE 43 2.686 -15.760 -19.845 295 H GLY 44 H GLY 44 0.505 -11.125 -22.886 296 HA2 GLY 44 1HA GLY 44 -1.153 -11.014 -20.612 297 HA3 GLY 44 2HA GLY 44 -1.706 -11.013 -22.280 298 H SER 45 H SER 45 -0.946 -13.001 -19.503 299 HA SER 45 HA SER 45 -2.543 -15.161 -20.704 300 HB2 SER 45 1HB SER 45 -0.295 -15.955 -20.841 301 HB3 SER 45 2HB SER 45 0.068 -15.410 -19.204 302 HG SER 45 HG SER 45 -0.401 -17.729 -19.516 303 H ASN 46 H ASN 46 -4.297 -14.215 -19.494 304 HA ASN 46 HA ASN 46 -5.575 -13.807 -17.624 305 HB2 ASN 46 1HB ASN 46 -5.820 -15.904 -16.227 306 HB3 ASN 46 2HB ASN 46 -6.068 -16.116 -17.958 307 HD21 ASN 46 1HD2 ASN 46 -4.153 -16.920 -15.230 308 HD22 ASN 46 2HD2 ASN 46 -3.105 -18.045 -16.018 309 H ALA 47 H ALA 47 -3.141 -12.556 -17.291 310 HA ALA 47 HA ALA 47 -2.315 -13.179 -14.545 311 HB1 ALA 47 3HB ALA 47 -1.017 -11.733 -16.811 312 HB2 ALA 47 1HB ALA 47 -0.520 -11.391 -15.154 313 HB3 ALA 47 2HB ALA 47 -0.385 -13.029 -15.795 314 H GLU 48 H GLU 48 -3.201 -12.054 -12.951 315 HA GLU 48 HA GLU 48 -3.818 -9.219 -13.379 316 HB2 GLU 48 1HB GLU 48 -5.684 -11.287 -12.216 317 HB3 GLU 48 2HB GLU 48 -5.920 -9.556 -12.022 318 HG2 GLU 48 1HG GLU 48 -5.589 -10.670 -14.761 319 HG3 GLU 48 2HG GLU 48 -7.128 -10.875 -13.927 320 H ILE 49 H ILE 49 -2.428 -8.259 -12.036 321 HA ILE 49 HA ILE 49 -1.710 -9.456 -9.501 322 HB ILE 49 HB ILE 49 -0.870 -6.865 -10.800 323 HG12 ILE 49 1HG1 ILE 49 0.826 -9.287 -10.225 324 HG13 ILE 49 2HG1 ILE 49 -0.104 -9.146 -11.713 325 HG21 ILE 49 1HG2 ILE 49 -0.805 -6.573 -8.407 326 HG22 ILE 49 2HG2 ILE 49 0.051 -8.101 -8.210 327 HG23 ILE 49 3HG2 ILE 49 0.841 -6.747 -9.018 328 HD11 ILE 49 3HD1 ILE 49 2.431 -7.991 -11.019 329 HD12 ILE 49 1HD1 ILE 49 1.623 -8.078 -12.585 330 HD13 ILE 49 2HD1 ILE 49 1.279 -6.740 -11.487 331 H ARG 50 H ARG 50 -2.894 -9.193 -7.738 332 HA ARG 50 HA ARG 50 -4.444 -6.705 -7.438 333 HB2 ARG 50 1HB ARG 50 -5.068 -9.545 -6.815 334 HB3 ARG 50 2HB ARG 50 -5.681 -8.325 -5.707 335 HG2 ARG 50 1HG ARG 50 -7.343 -8.868 -7.376 336 HG3 ARG 50 2HG ARG 50 -6.798 -7.201 -7.574 337 HD2 ARG 50 1HD ARG 50 -6.905 -8.129 -9.747 338 HD3 ARG 50 2HD ARG 50 -5.196 -8.058 -9.322 339 HE ARG 50 HE ARG 50 -5.116 -10.341 -9.426 340 HH11 ARG 50 1HH1 ARG 50 -8.441 -9.330 -9.225 341 HH12 ARG 50 2HH1 ARG 50 -9.077 -10.919 -9.498 342 HH21 ARG 50 1HH2 ARG 50 -5.941 -12.437 -9.786 343 HH22 ARG 50 2HH2 ARG 50 -7.654 -12.685 -9.816 344 H TYR 51 H TYR 51 -4.691 -5.879 -5.264 345 HA TYR 51 HA TYR 51 -2.423 -6.594 -3.522 346 HB2 TYR 51 1HB TYR 51 -3.702 -3.866 -3.649 347 HB3 TYR 51 2HB TYR 51 -2.169 -4.312 -2.909 348 HD1 TYR 51 1HD TYR 51 -3.899 -3.929 -6.166 349 HD2 TYR 51 2HD TYR 51 -0.166 -4.267 -4.153 350 HE1 TYR 51 1HE TYR 51 -2.730 -3.334 -8.246 351 HE2 TYR 51 2HE TYR 51 1.013 -3.671 -6.228 352 HH TYR 51 HH TYR 51 0.729 -3.562 -8.540 353 H ILE 52 H ILE 52 -2.809 -6.946 -1.398 354 HA ILE 52 HA ILE 52 -5.421 -6.269 -0.280 355 HB ILE 52 HB ILE 52 -5.709 -8.524 0.670 356 HG12 ILE 52 1HG1 ILE 52 -4.303 -10.295 -0.753 357 HG13 ILE 52 2HG1 ILE 52 -3.145 -8.970 -0.777 358 HG21 ILE 52 1HG2 ILE 52 -6.569 -7.696 -1.659 359 HG22 ILE 52 2HG2 ILE 52 -5.474 -8.933 -2.274 360 HG23 ILE 52 3HG2 ILE 52 -6.780 -9.379 -1.176 361 HD11 ILE 52 3HD1 ILE 52 -3.122 -10.801 1.110 362 HD12 ILE 52 1HD1 ILE 52 -2.727 -9.117 1.454 363 HD13 ILE 52 2HD1 ILE 52 -4.334 -9.741 1.829 364 H PHE 53 H PHE 53 -5.473 -6.189 1.998 365 HA PHE 53 HA PHE 53 -3.091 -5.315 3.217 366 HB2 PHE 53 1HB PHE 53 -5.810 -6.031 4.291 367 HB3 PHE 53 2HB PHE 53 -4.501 -5.540 5.362 368 HD1 PHE 53 1HD PHE 53 -6.840 -4.459 2.773 369 HD2 PHE 53 2HD PHE 53 -3.686 -3.266 5.370 370 HE1 PHE 53 1HE PHE 53 -7.387 -2.098 2.347 371 HE2 PHE 53 2HE PHE 53 -4.228 -0.903 4.949 372 HZ PHE 53 HZ PHE 53 -6.081 -0.317 3.436 373 H GLY 54 H GLY 54 -1.671 -6.280 4.612 374 HA2 GLY 54 1HA GLY 54 -1.364 -9.105 4.413 375 HA3 GLY 54 2HA GLY 54 -0.398 -8.024 5.408 376 H ALA 55 H ALA 55 -0.416 -9.681 7.029 377 HA ALA 55 HA ALA 55 -2.984 -10.196 8.326 378 HB1 ALA 55 3HB ALA 55 -2.014 -12.216 8.416 379 HB2 ALA 55 1HB ALA 55 -0.391 -11.555 8.213 380 HB3 ALA 55 2HB ALA 55 -1.150 -11.558 9.806 381 H GLN 56 H GLN 56 -3.147 -10.013 10.679 382 HA GLN 56 HA GLN 56 -3.139 -8.733 12.562 383 HB2 GLN 56 1HB GLN 56 -0.217 -8.798 11.850 384 HB3 GLN 56 2HB GLN 56 -0.794 -7.960 13.284 385 HG2 GLN 56 1HG GLN 56 -0.243 -10.005 14.147 386 HG3 GLN 56 2HG GLN 56 -1.958 -10.228 13.804 387 HE21 GLN 56 1HE2 GLN 56 -2.134 -12.309 13.303 388 HE22 GLN 56 2HE2 GLN 56 -1.220 -13.126 12.086 389 H VAL 57 H VAL 57 -4.063 -7.343 10.436 390 HA VAL 57 HA VAL 57 -2.779 -4.700 10.633 391 HB VAL 57 HB VAL 57 -4.666 -5.722 8.506 392 HG11 VAL 57 1HG1 VAL 57 -4.225 -3.662 7.338 393 HG12 VAL 57 2HG1 VAL 57 -4.824 -3.289 8.955 394 HG13 VAL 57 3HG1 VAL 57 -3.103 -3.145 8.597 395 HG21 VAL 57 3HG2 VAL 57 -1.794 -5.914 8.829 396 HG22 VAL 57 1HG2 VAL 57 -2.851 -6.690 7.649 397 HG23 VAL 57 2HG2 VAL 57 -2.233 -5.066 7.346 398 H ALA 58 H ALA 58 -3.765 -3.289 11.905 399 HA ALA 58 HA ALA 58 -6.198 -3.668 13.184 400 HB1 ALA 58 3HB ALA 58 -6.093 -1.144 13.557 401 HB2 ALA 58 1HB ALA 58 -4.737 -2.109 14.142 402 HB3 ALA 58 2HB ALA 58 -4.586 -1.194 12.641 403 HA PRO 59 HA PRO 59 -9.271 -2.749 10.169 404 HB2 PRO 59 1HB PRO 59 -11.299 -2.021 11.821 405 HB3 PRO 59 2HB PRO 59 -10.772 -3.697 11.627 406 HG2 PRO 59 1HG PRO 59 -10.104 -1.740 13.792 407 HG3 PRO 59 2HG PRO 59 -10.524 -3.458 13.927 408 HD2 PRO 59 1HD PRO 59 -7.970 -2.569 14.051 409 HD3 PRO 59 2HD PRO 59 -8.398 -4.151 13.369 410 H ALA 60 H ALA 60 -9.119 -0.384 12.839 411 HA ALA 60 HA ALA 60 -10.322 1.776 11.694 412 HB1 ALA 60 3HB ALA 60 -8.223 2.971 12.984 413 HB2 ALA 60 1HB ALA 60 -9.722 2.435 13.744 414 HB3 ALA 60 2HB ALA 60 -8.300 1.391 13.764 415 H THR 61 H THR 61 -6.912 0.847 11.311 416 HA THR 61 HA THR 61 -6.052 2.958 9.737 417 HB THR 61 HB THR 61 -5.194 0.061 9.654 418 HG1 THR 61 1HG THR 61 -3.394 1.029 10.860 419 HG21 THR 61 3HG2 THR 61 -4.170 2.478 8.220 420 HG22 THR 61 1HG2 THR 61 -4.374 0.829 7.630 421 HG23 THR 61 2HG2 THR 61 -3.045 1.217 8.723 422 H LYS 62 H LYS 62 -7.715 -0.010 8.784 423 HA LYS 62 HA LYS 62 -7.529 0.440 5.985 424 HB2 LYS 62 1HB LYS 62 -9.124 -1.375 7.745 425 HB3 LYS 62 2HB LYS 62 -9.598 -1.194 6.062 426 HG2 LYS 62 1HG LYS 62 -7.356 -1.890 5.363 427 HG3 LYS 62 2HG LYS 62 -6.901 -2.095 7.056 428 HD2 LYS 62 1HD LYS 62 -9.330 -3.504 6.075 429 HD3 LYS 62 2HD LYS 62 -7.753 -4.125 5.582 430 HE2 LYS 62 1HE LYS 62 -8.218 -3.484 8.455 431 HE3 LYS 62 2HE LYS 62 -8.918 -4.959 7.790 432 HZ1 LYS 62 3HZ LYS 62 -6.823 -5.810 7.286 433 HZ2 LYS 62 1HZ LYS 62 -6.614 -5.112 8.812 434 HZ3 LYS 62 2HZ LYS 62 -6.057 -4.309 7.432 435 H ARG 63 H ARG 63 -9.588 1.660 8.462 436 HA ARG 63 HA ARG 63 -11.749 2.416 6.726 437 HB2 ARG 63 1HB ARG 63 -12.382 2.050 8.964 438 HB3 ARG 63 2HB ARG 63 -11.050 3.013 9.589 439 HG2 ARG 63 1HG ARG 63 -12.154 5.021 8.561 440 HG3 ARG 63 2HG ARG 63 -13.548 3.990 8.235 441 HD2 ARG 63 1HD ARG 63 -12.422 4.076 10.994 442 HD3 ARG 63 2HD ARG 63 -13.408 5.425 10.432 443 HE ARG 63 HE ARG 63 -14.689 2.943 9.927 444 HH11 ARG 63 1HH1 ARG 63 -13.958 5.214 12.461 445 HH12 ARG 63 2HH1 ARG 63 -15.328 4.777 13.428 446 HH21 ARG 63 1HH2 ARG 63 -16.496 2.358 11.190 447 HH22 ARG 63 2HH2 ARG 63 -16.771 3.151 12.704 448 H LEU 64 H LEU 64 -9.398 4.330 8.613 449 HA LEU 64 HA LEU 64 -9.941 6.809 7.536 450 HB2 LEU 64 1HB LEU 64 -7.416 5.598 8.605 451 HB3 LEU 64 2HB LEU 64 -7.454 7.259 8.017 452 HG LEU 64 HG LEU 64 -7.731 7.532 10.291 453 HD11 LEU 64 1HD1 LEU 64 -10.616 7.198 9.545 454 HD12 LEU 64 2HD1 LEU 64 -9.625 8.485 8.858 455 HD13 LEU 64 3HD1 LEU 64 -9.874 8.401 10.601 456 HD21 LEU 64 3HD2 LEU 64 -9.590 5.156 10.312 457 HD22 LEU 64 1HD2 LEU 64 -9.098 6.107 11.714 458 HD23 LEU 64 2HD2 LEU 64 -7.905 5.151 10.835 459 H PHE 65 H PHE 65 -7.460 4.503 6.427 460 HA PHE 65 HA PHE 65 -7.195 6.033 3.946 461 HB2 PHE 65 1HB PHE 65 -5.531 3.742 5.012 462 HB3 PHE 65 2HB PHE 65 -5.194 4.654 3.544 463 HD1 PHE 65 2HD PHE 65 -5.581 5.035 7.217 464 HD2 PHE 65 1HD PHE 65 -3.891 6.574 3.626 465 HE1 PHE 65 2HE PHE 65 -4.276 6.655 8.530 466 HE2 PHE 65 1HE PHE 65 -2.582 8.196 4.934 467 HZ PHE 65 HZ PHE 65 -2.775 8.239 7.389 468 H ALA 66 H ALA 66 -7.198 4.930 1.891 469 HA ALA 66 HA ALA 66 -8.820 2.469 1.893 470 HB1 ALA 66 3HB ALA 66 -9.829 3.321 -0.239 471 HB2 ALA 66 1HB ALA 66 -10.267 4.227 1.209 472 HB3 ALA 66 2HB ALA 66 -9.060 4.872 0.096 473 H LEU 67 H LEU 67 -7.516 0.873 1.262 474 HA LEU 67 HA LEU 67 -5.412 1.385 -0.691 475 HB2 LEU 67 1HB LEU 67 -4.566 0.127 1.053 476 HB3 LEU 67 2HB LEU 67 -6.039 -0.826 1.214 477 HG LEU 67 HG LEU 67 -5.381 -1.842 -1.058 478 HD11 LEU 67 1HD1 LEU 67 -2.849 -0.445 -0.260 479 HD12 LEU 67 2HD1 LEU 67 -3.674 -0.435 -1.818 480 HD13 LEU 67 3HD1 LEU 67 -2.838 -1.889 -1.272 481 HD21 LEU 67 3HD2 LEU 67 -3.519 -3.212 0.278 482 HD22 LEU 67 1HD2 LEU 67 -5.246 -3.393 0.588 483 HD23 LEU 67 2HD2 LEU 67 -4.266 -2.363 1.633 484 H ASN 68 H ASN 68 -5.978 1.271 -2.760 485 HA ASN 68 HA ASN 68 -8.253 -0.111 -3.719 486 HB2 ASN 68 1HB ASN 68 -5.955 1.330 -4.962 487 HB3 ASN 68 2HB ASN 68 -6.920 0.270 -5.986 488 HD21 ASN 68 1HD2 ASN 68 -7.484 2.201 -7.136 489 HD22 ASN 68 2HD2 ASN 68 -8.743 3.223 -6.539 490 H ASN 69 H ASN 69 -8.493 -2.221 -3.991 491 HA ASN 69 HA ASN 69 -6.207 -3.985 -3.981 492 HB2 ASN 69 1HB ASN 69 -9.046 -4.860 -4.447 493 HB3 ASN 69 2HB ASN 69 -7.733 -5.744 -3.676 494 HD21 ASN 69 1HD2 ASN 69 -7.605 -5.715 -1.538 495 HD22 ASN 69 2HD2 ASN 69 -8.505 -4.674 -0.494 496 H THR 70 H THR 70 -6.993 -2.120 -6.299 497 HA THR 70 HA THR 70 -6.864 -4.177 -8.408 498 HB THR 70 HB THR 70 -8.097 -1.429 -8.675 499 HG1 THR 70 1HG THR 70 -9.158 -3.373 -7.437 500 HG21 THR 70 3HG2 THR 70 -9.056 -2.697 -10.764 501 HG22 THR 70 1HG2 THR 70 -7.621 -3.700 -10.555 502 HG23 THR 70 2HG2 THR 70 -7.453 -1.965 -10.823 503 H THR 71 H THR 71 -5.628 -1.179 -7.145 504 HA THR 71 HA THR 71 -3.502 -1.246 -9.184 505 HB THR 71 HB THR 71 -3.356 1.180 -9.130 506 HG1 THR 71 1HG THR 71 -5.446 0.937 -7.218 507 HG21 THR 71 3HG2 THR 71 -5.528 -0.296 -10.184 508 HG22 THR 71 1HG2 THR 71 -4.857 1.224 -10.774 509 HG23 THR 71 2HG2 THR 71 -6.173 1.238 -9.599 510 H GLY 72 H GLY 72 -4.405 -0.884 -5.856 511 HA2 GLY 72 1HA GLY 72 -3.050 -1.284 -4.002 512 HA3 GLY 72 2HA GLY 72 -1.645 -1.272 -5.058 513 H LEU 73 H LEU 73 -3.785 1.375 -5.406 514 HA LEU 73 HA LEU 73 -1.771 3.153 -4.293 515 HB2 LEU 73 1HB LEU 73 -2.480 3.964 -6.328 516 HB3 LEU 73 2HB LEU 73 -4.151 3.471 -6.060 517 HG LEU 73 HG LEU 73 -4.353 5.333 -4.404 518 HD11 LEU 73 1HD1 LEU 73 -2.158 6.880 -5.443 519 HD12 LEU 73 2HD1 LEU 73 -1.578 5.416 -4.652 520 HD13 LEU 73 3HD1 LEU 73 -2.606 6.545 -3.771 521 HD21 LEU 73 3HD2 LEU 73 -3.685 5.929 -7.276 522 HD22 LEU 73 1HD2 LEU 73 -4.343 7.136 -6.170 523 HD23 LEU 73 2HD2 LEU 73 -5.276 5.688 -6.553 524 H ILE 74 H ILE 74 -1.874 3.877 -2.282 525 HA ILE 74 HA ILE 74 -4.338 3.586 -0.761 526 HB ILE 74 HB ILE 74 -1.521 4.292 0.033 527 HG12 ILE 74 1HG1 ILE 74 -3.288 2.018 0.942 528 HG13 ILE 74 2HG1 ILE 74 -2.201 1.896 -0.437 529 HG21 ILE 74 1HG2 ILE 74 -2.832 3.942 2.392 530 HG22 ILE 74 2HG2 ILE 74 -2.431 5.506 1.683 531 HG23 ILE 74 3HG2 ILE 74 -4.035 4.814 1.442 532 HD11 ILE 74 3HD1 ILE 74 -1.643 1.646 2.375 533 HD12 ILE 74 1HD1 ILE 74 -0.642 1.229 0.984 534 HD13 ILE 74 2HD1 ILE 74 -0.619 2.871 1.627 535 H THR 75 H THR 75 -5.686 5.200 -0.313 536 HA THR 75 HA THR 75 -4.712 7.964 -0.432 537 HB THR 75 HB THR 75 -6.930 8.573 -1.549 538 HG1 THR 75 1HG THR 75 -8.049 6.658 -1.434 539 HG21 THR 75 3HG2 THR 75 -4.500 7.440 -2.735 540 HG22 THR 75 1HG2 THR 75 -5.335 8.951 -3.091 541 HG23 THR 75 2HG2 THR 75 -5.896 7.443 -3.812 542 H VAL 76 H VAL 76 -5.754 9.403 0.927 543 HA VAL 76 HA VAL 76 -6.887 8.370 3.278 544 HB VAL 76 HB VAL 76 -6.931 11.184 2.186 545 HG11 VAL 76 1HG1 VAL 76 -8.658 11.265 3.713 546 HG12 VAL 76 2HG1 VAL 76 -7.935 10.038 4.755 547 HG13 VAL 76 3HG1 VAL 76 -7.270 11.671 4.722 548 HG21 VAL 76 3HG2 VAL 76 -4.906 11.489 3.113 549 HG22 VAL 76 1HG2 VAL 76 -5.300 10.517 4.531 550 HG23 VAL 76 2HG2 VAL 76 -4.796 9.730 3.036 551 H GLN 77 H GLN 77 -8.825 7.485 3.509 552 HA GLN 77 HA GLN 77 -10.978 8.140 1.677 553 HB2 GLN 77 1HB GLN 77 -10.391 5.784 2.476 554 HB3 GLN 77 2HB GLN 77 -11.125 6.238 4.008 555 HG2 GLN 77 1HG GLN 77 -13.238 6.675 2.877 556 HG3 GLN 77 2HG GLN 77 -12.505 6.241 1.333 557 HE21 GLN 77 1HE2 GLN 77 -12.221 4.736 4.521 558 HE22 GLN 77 2HE2 GLN 77 -12.828 3.192 4.041 559 H ARG 78 H ARG 78 -10.285 8.368 5.142 560 HA ARG 78 HA ARG 78 -12.321 10.461 5.348 561 HB2 ARG 78 1HB ARG 78 -12.141 8.022 7.119 562 HB3 ARG 78 2HB ARG 78 -13.032 9.472 7.563 563 HG2 ARG 78 1HG ARG 78 -14.612 9.162 5.868 564 HG3 ARG 78 2HG ARG 78 -13.588 8.010 5.007 565 HD2 ARG 78 1HD ARG 78 -15.220 6.686 6.036 566 HD3 ARG 78 2HD ARG 78 -13.808 6.536 7.081 567 HE ARG 78 HE ARG 78 -15.367 8.642 8.039 568 HH11 ARG 78 1HH1 ARG 78 -15.554 5.186 7.662 569 HH12 ARG 78 2HH1 ARG 78 -16.607 4.964 9.020 570 HH21 ARG 78 1HH2 ARG 78 -16.753 8.363 9.829 571 HH22 ARG 78 2HH2 ARG 78 -17.289 6.772 10.251 572 H SER 79 H SER 79 -12.016 11.902 7.124 573 HA SER 79 HA SER 79 -9.521 12.860 7.544 574 HB2 SER 79 1HB SER 79 -10.362 14.098 9.398 575 HB3 SER 79 2HB SER 79 -11.729 13.871 8.307 576 HG SER 79 HG SER 79 -11.155 12.346 10.633 577 H LEU 80 H LEU 80 -7.764 12.404 8.743 578 HA LEU 80 HA LEU 80 -7.718 9.867 10.151 579 HB2 LEU 80 1HB LEU 80 -5.417 11.771 9.851 580 HB3 LEU 80 2HB LEU 80 -5.371 10.027 10.103 581 HG LEU 80 HG LEU 80 -6.445 11.252 7.575 582 HD11 LEU 80 1HD1 LEU 80 -4.025 10.347 6.844 583 HD12 LEU 80 2HD1 LEU 80 -3.654 10.926 8.467 584 HD13 LEU 80 3HD1 LEU 80 -4.349 12.026 7.277 585 HD21 LEU 80 3HD2 LEU 80 -7.032 9.109 7.308 586 HD22 LEU 80 1HD2 LEU 80 -5.980 8.559 8.612 587 HD23 LEU 80 2HD2 LEU 80 -5.318 8.830 7.000 588 H ASP 81 H ASP 81 -6.722 9.670 12.281 589 HA ASP 81 HA ASP 81 -6.994 12.075 13.948 590 HB2 ASP 81 1HB ASP 81 -7.999 9.348 14.778 591 HB3 ASP 81 2HB ASP 81 -8.190 10.868 15.648 592 H ARG 82 H ARG 82 -5.069 12.457 14.809 593 HA ARG 82 HA ARG 82 -3.077 10.414 15.076 594 HB2 ARG 82 1HB ARG 82 -2.694 12.892 14.557 595 HB3 ARG 82 2HB ARG 82 -2.945 13.175 16.274 596 HG2 ARG 82 1HG ARG 82 -1.079 11.611 16.750 597 HG3 ARG 82 2HG ARG 82 -0.789 11.496 15.013 598 HD2 ARG 82 1HD ARG 82 0.653 13.141 16.285 599 HD3 ARG 82 2HD ARG 82 -0.180 13.769 14.864 600 HE ARG 82 HE ARG 82 -0.664 14.478 17.630 601 HH11 ARG 82 1HH1 ARG 82 -1.815 14.560 14.346 602 HH12 ARG 82 2HH1 ARG 82 -2.878 15.902 14.614 603 HH21 ARG 82 1HH2 ARG 82 -2.059 16.245 17.996 604 HH22 ARG 82 2HH2 ARG 82 -3.015 16.860 16.690 605 H GLU 83 H GLU 83 -5.159 12.216 17.290 606 HA GLU 83 HA GLU 83 -4.192 11.661 19.742 607 HB2 GLU 83 1HB GLU 83 -6.521 11.527 20.561 608 HB3 GLU 83 2HB GLU 83 -6.275 12.859 19.440 609 HG2 GLU 83 1HG GLU 83 -7.265 11.517 17.644 610 HG3 GLU 83 2HG GLU 83 -7.539 10.206 18.789 611 H GLU 84 H GLU 84 -5.516 9.348 17.503 612 HA GLU 84 HA GLU 84 -5.622 7.222 19.468 613 HB2 GLU 84 1HB GLU 84 -6.037 7.197 16.474 614 HB3 GLU 84 2HB GLU 84 -6.264 5.807 17.526 615 HG2 GLU 84 1HG GLU 84 -7.866 8.337 17.406 616 HG3 GLU 84 2HG GLU 84 -8.406 6.678 17.152 617 H THR 85 H THR 85 -3.917 7.605 16.356 618 HA THR 85 HA THR 85 -1.550 6.365 17.563 619 HB THR 85 HB THR 85 -2.793 4.571 16.395 620 HG1 THR 85 1HG THR 85 -0.331 4.931 16.366 621 HG21 THR 85 3HG2 THR 85 -2.183 5.328 13.697 622 HG22 THR 85 1HG2 THR 85 -3.191 6.566 14.444 623 HG23 THR 85 2HG2 THR 85 -3.739 4.890 14.403 624 H ALA 86 H ALA 86 0.357 7.198 16.881 625 HA ALA 86 HA ALA 86 0.246 9.551 15.193 626 HB1 ALA 86 3HB ALA 86 1.633 9.104 17.408 627 HB2 ALA 86 1HB ALA 86 2.829 8.535 16.243 628 HB3 ALA 86 2HB ALA 86 2.215 10.186 16.142 629 H ILE 87 H ILE 87 1.344 6.251 15.010 630 HA ILE 87 HA ILE 87 2.284 6.762 12.263 631 HB ILE 87 HB ILE 87 3.344 4.680 14.177 632 HG12 ILE 87 1HG1 ILE 87 4.857 7.008 13.009 633 HG13 ILE 87 2HG1 ILE 87 3.981 7.145 14.529 634 HG21 ILE 87 1HG2 ILE 87 3.844 5.244 11.283 635 HG22 ILE 87 2HG2 ILE 87 5.104 4.525 12.284 636 HG23 ILE 87 3HG2 ILE 87 3.557 3.701 12.088 637 HD11 ILE 87 3HD1 ILE 87 5.663 4.812 14.526 638 HD12 ILE 87 1HD1 ILE 87 6.590 6.266 14.158 639 HD13 ILE 87 2HD1 ILE 87 5.634 6.181 15.638 640 H HIS 88 H HIS 88 1.783 5.226 10.689 641 HA HIS 88 HA HIS 88 -0.157 3.160 11.486 642 HB2 HIS 88 1HB HIS 88 -0.341 5.186 9.277 643 HB3 HIS 88 2HB HIS 88 -1.174 3.641 9.138 644 HD1 HIS 88 1HD HIS 88 -2.807 3.129 11.320 645 HD2 HIS 88 2HD HIS 88 -1.818 7.082 10.511 646 HE1 HIS 88 1HE HIS 88 -4.529 4.512 12.521 647 HE2 HIS 88 2HE HIS 88 -3.961 6.897 11.947 648 H LYS 89 H LYS 89 0.505 1.195 10.957 649 HA LYS 89 HA LYS 89 2.519 0.899 8.841 650 HB2 LYS 89 1HB LYS 89 1.873 -0.610 11.326 651 HB3 LYS 89 2HB LYS 89 2.532 -1.516 9.970 652 HG2 LYS 89 1HG LYS 89 4.322 -0.866 11.422 653 HG3 LYS 89 2HG LYS 89 4.452 0.043 9.915 654 HD2 LYS 89 1HD LYS 89 3.761 2.028 10.908 655 HD3 LYS 89 2HD LYS 89 2.995 1.197 12.264 656 HE2 LYS 89 1HE LYS 89 5.949 0.990 11.856 657 HE3 LYS 89 2HE LYS 89 5.265 2.432 12.603 658 HZ1 LYS 89 3HZ LYS 89 5.173 1.335 14.507 659 HZ2 LYS 89 1HZ LYS 89 5.770 -0.069 13.775 660 HZ3 LYS 89 2HZ LYS 89 4.104 0.214 13.828 661 H VAL 90 H VAL 90 1.813 0.261 6.923 662 HA VAL 90 HA VAL 90 -0.500 -1.564 6.808 663 HB VAL 90 HB VAL 90 0.214 0.439 4.669 664 HG11 VAL 90 1HG1 VAL 90 -2.443 -0.124 4.447 665 HG12 VAL 90 2HG1 VAL 90 -1.163 -0.912 3.523 666 HG13 VAL 90 3HG1 VAL 90 -1.792 -1.672 4.985 667 HG21 VAL 90 3HG2 VAL 90 -0.397 1.860 6.391 668 HG22 VAL 90 1HG2 VAL 90 -1.940 1.565 5.588 669 HG23 VAL 90 2HG2 VAL 90 -1.541 0.707 7.077 670 H THR 91 H THR 91 -0.186 -3.438 5.790 671 HA THR 91 HA THR 91 2.308 -3.780 4.266 672 HB THR 91 HB THR 91 0.610 -5.907 5.586 673 HG1 THR 91 1HG THR 91 2.743 -5.954 6.858 674 HG21 THR 91 3HG2 THR 91 2.246 -7.471 4.970 675 HG22 THR 91 1HG2 THR 91 3.414 -6.219 4.552 676 HG23 THR 91 2HG2 THR 91 2.013 -6.498 3.518 677 H VAL 92 H VAL 92 2.234 -4.278 2.165 678 HA VAL 92 HA VAL 92 -0.397 -4.905 0.995 679 HB VAL 92 HB VAL 92 1.984 -3.654 -0.381 680 HG11 VAL 92 1HG1 VAL 92 0.058 -3.080 -2.037 681 HG12 VAL 92 2HG1 VAL 92 0.801 -4.680 -2.079 682 HG13 VAL 92 3HG1 VAL 92 -0.753 -4.449 -1.277 683 HG21 VAL 92 3HG2 VAL 92 0.529 -1.607 -0.401 684 HG22 VAL 92 1HG2 VAL 92 -0.524 -2.430 0.750 685 HG23 VAL 92 2HG2 VAL 92 1.146 -2.068 1.186 686 H LEU 93 H LEU 93 -0.655 -6.725 -0.164 687 HA LEU 93 HA LEU 93 1.740 -8.362 -0.682 688 HB2 LEU 93 1HB LEU 93 -1.033 -9.171 0.149 689 HB3 LEU 93 2HB LEU 93 0.125 -10.312 -0.530 690 HG LEU 93 HG LEU 93 0.583 -8.728 1.995 691 HD11 LEU 93 1HD1 LEU 93 -0.081 -10.575 3.252 692 HD12 LEU 93 2HD1 LEU 93 -0.047 -11.655 1.859 693 HD13 LEU 93 3HD1 LEU 93 -1.321 -10.445 2.005 694 HD21 LEU 93 3HD2 LEU 93 2.695 -9.307 1.406 695 HD22 LEU 93 1HD2 LEU 93 2.165 -10.664 0.411 696 HD23 LEU 93 2HD2 LEU 93 2.220 -10.827 2.166 697 H ALA 94 H ALA 94 2.164 -8.651 -2.760 698 HA ALA 94 HA ALA 94 0.031 -8.228 -4.725 699 HB1 ALA 94 3HB ALA 94 2.582 -8.621 -5.945 700 HB2 ALA 94 1HB ALA 94 1.577 -7.172 -5.912 701 HB3 ALA 94 2HB ALA 94 2.744 -7.466 -4.622 702 H SER 95 H SER 95 -0.761 -9.826 -5.952 703 HA SER 95 HA SER 95 0.700 -12.365 -6.104 704 HB2 SER 95 1HB SER 95 -1.300 -13.651 -5.619 705 HB3 SER 95 2HB SER 95 -1.005 -12.528 -4.292 706 HG SER 95 HG SER 95 -2.753 -11.943 -6.441 707 H ASP 96 H ASP 96 1.007 -12.803 -8.174 708 HA ASP 96 HA ASP 96 -0.824 -11.723 -10.176 709 HB2 ASP 96 1HB ASP 96 0.917 -12.470 -11.801 710 HB3 ASP 96 2HB ASP 96 1.521 -11.332 -10.599 711 H GLY 97 H GLY 97 0.683 -14.848 -9.351 712 HA2 GLY 97 1HA GLY 97 -1.757 -16.239 -10.025 713 HA3 GLY 97 2HA GLY 97 -0.438 -16.534 -11.148 714 H SER 98 H SER 98 1.169 -17.925 -10.599 715 HA SER 98 HA SER 98 0.852 -19.299 -8.020 716 HB2 SER 98 1HB SER 98 1.799 -20.191 -10.722 717 HB3 SER 98 2HB SER 98 2.338 -21.054 -9.281 718 HG SER 98 HG SER 98 -0.387 -20.534 -9.866 719 H SER 99 H SER 99 2.084 -17.779 -6.835 720 HA SER 99 HA SER 99 4.826 -18.396 -6.620 721 HB2 SER 99 1HB SER 99 4.605 -16.822 -8.726 722 HB3 SER 99 2HB SER 99 4.504 -15.554 -7.505 723 HG SER 99 HG SER 99 6.661 -16.968 -8.352 724 H THR 100 H THR 100 5.890 -17.191 -4.909 725 HA THR 100 HA THR 100 4.156 -16.663 -2.737 726 HB THR 100 HB THR 100 7.084 -15.941 -2.975 727 HG1 THR 100 1HG THR 100 5.737 -18.349 -2.407 728 HG21 THR 100 3HG2 THR 100 7.134 -15.720 -0.663 729 HG22 THR 100 1HG2 THR 100 5.641 -16.630 -0.441 730 HG23 THR 100 2HG2 THR 100 5.586 -14.986 -1.079 731 HA PRO 101 HA PRO 101 3.190 -12.422 -3.583 732 HB2 PRO 101 1HB PRO 101 2.048 -11.860 -1.185 733 HB3 PRO 101 2HB PRO 101 1.237 -12.808 -2.437 734 HG2 PRO 101 1HG PRO 101 2.699 -13.747 0.001 735 HG3 PRO 101 2HG PRO 101 1.161 -14.319 -0.671 736 HD2 PRO 101 1HD PRO 101 3.497 -15.633 -1.055 737 HD3 PRO 101 2HD PRO 101 2.198 -15.623 -2.264 738 H ALA 102 H ALA 102 4.106 -10.450 -3.211 739 HA ALA 102 HA ALA 102 6.493 -10.392 -1.585 740 HB1 ALA 102 3HB ALA 102 6.166 -9.337 -3.910 741 HB2 ALA 102 1HB ALA 102 5.369 -8.026 -3.040 742 HB3 ALA 102 2HB ALA 102 7.052 -8.422 -2.690 743 H ARG 103 H ARG 103 6.929 -8.802 0.035 744 HA ARG 103 HA ARG 103 4.512 -7.749 1.351 745 HB2 ARG 103 1HB ARG 103 6.882 -9.176 2.518 746 HB3 ARG 103 2HB ARG 103 5.941 -8.059 3.497 747 HG2 ARG 103 1HG ARG 103 3.937 -9.380 3.111 748 HG3 ARG 103 2HG ARG 103 4.852 -10.484 2.083 749 HD2 ARG 103 1HD ARG 103 5.418 -9.959 4.999 750 HD3 ARG 103 2HD ARG 103 4.520 -11.344 4.378 751 HE ARG 103 HE ARG 103 6.502 -12.285 3.660 752 HH11 ARG 103 1HH1 ARG 103 7.038 -9.013 4.720 753 HH12 ARG 103 2HH1 ARG 103 8.765 -9.155 4.713 754 HH21 ARG 103 1HH2 ARG 103 8.774 -12.485 3.646 755 HH22 ARG 103 2HH2 ARG 103 9.751 -11.130 4.101 756 H ALA 104 H ALA 104 4.547 -5.659 1.949 757 HA ALA 104 HA ALA 104 7.063 -4.234 2.220 758 HB1 ALA 104 3HB ALA 104 6.175 -2.425 0.636 759 HB2 ALA 104 1HB ALA 104 6.852 -3.888 -0.080 760 HB3 ALA 104 2HB ALA 104 5.103 -3.681 0.018 761 H THR 105 H THR 105 6.886 -3.039 3.987 762 HA THR 105 HA THR 105 4.221 -2.193 4.876 763 HB THR 105 HB THR 105 6.824 -2.307 6.413 764 HG1 THR 105 1HG THR 105 6.228 -4.278 6.885 765 HG21 THR 105 3HG2 THR 105 5.225 -2.025 8.382 766 HG22 THR 105 1HG2 THR 105 4.039 -1.478 7.197 767 HG23 THR 105 2HG2 THR 105 5.549 -0.591 7.408 768 H VAL 106 H VAL 106 3.621 -0.153 4.609 769 HA VAL 106 HA VAL 106 5.671 1.870 4.052 770 HB VAL 106 HB VAL 106 2.689 1.923 3.570 771 HG11 VAL 106 1HG1 VAL 106 4.594 4.064 3.769 772 HG12 VAL 106 2HG1 VAL 106 3.953 3.966 2.128 773 HG13 VAL 106 3HG1 VAL 106 2.853 4.137 3.497 774 HG21 VAL 106 3HG2 VAL 106 5.002 1.779 1.637 775 HG22 VAL 106 1HG2 VAL 106 3.932 0.443 2.063 776 HG23 VAL 106 2HG2 VAL 106 3.293 1.847 1.209 777 H THR 107 H THR 107 6.240 3.213 5.617 778 HA THR 107 HA THR 107 4.596 3.457 8.002 779 HB THR 107 HB THR 107 7.314 4.644 7.408 780 HG1 THR 107 1HG THR 107 7.948 2.906 8.899 781 HG21 THR 107 3HG2 THR 107 6.183 4.227 10.144 782 HG22 THR 107 1HG2 THR 107 5.736 5.663 9.225 783 HG23 THR 107 2HG2 THR 107 7.429 5.352 9.607 784 H ILE 108 H ILE 108 3.116 4.994 8.179 785 HA ILE 108 HA ILE 108 3.473 7.485 6.649 786 HB ILE 108 HB ILE 108 0.904 6.344 7.752 787 HG12 ILE 108 1HG1 ILE 108 1.537 6.532 4.833 788 HG13 ILE 108 2HG1 ILE 108 2.172 5.178 5.761 789 HG21 ILE 108 1HG2 ILE 108 -0.194 8.055 6.432 790 HG22 ILE 108 2HG2 ILE 108 0.946 8.794 7.556 791 HG23 ILE 108 3HG2 ILE 108 1.366 8.637 5.851 792 HD11 ILE 108 3HD1 ILE 108 0.252 4.156 5.350 793 HD12 ILE 108 1HD1 ILE 108 -0.497 5.291 6.474 794 HD13 ILE 108 2HD1 ILE 108 -0.488 5.637 4.744 795 H ASN 109 H ASN 109 4.285 9.044 7.889 796 HA ASN 109 HA ASN 109 3.772 9.114 10.739 797 HB2 ASN 109 1HB ASN 109 5.599 10.529 8.859 798 HB3 ASN 109 2HB ASN 109 5.180 11.348 10.360 799 HD21 ASN 109 1HD2 ASN 109 7.399 9.426 8.967 800 HD22 ASN 109 2HD2 ASN 109 8.029 8.626 10.363 801 H VAL 110 H VAL 110 2.316 10.352 11.742 802 HA VAL 110 HA VAL 110 0.652 12.119 10.114 803 HB VAL 110 HB VAL 110 0.273 11.024 12.901 804 HG11 VAL 110 1HG1 VAL 110 -0.813 13.042 13.101 805 HG12 VAL 110 2HG1 VAL 110 -1.223 13.114 11.386 806 HG13 VAL 110 3HG1 VAL 110 -2.103 12.025 12.459 807 HG21 VAL 110 3HG2 VAL 110 -0.537 10.189 10.221 808 HG22 VAL 110 1HG2 VAL 110 -0.459 9.267 11.722 809 HG23 VAL 110 2HG2 VAL 110 -1.869 10.266 11.373 810 H THR 111 H THR 111 0.993 14.231 10.101 811 HA THR 111 HA THR 111 2.472 15.442 12.338 812 HB THR 111 HB THR 111 3.151 17.200 10.853 813 HG1 THR 111 1HG THR 111 1.359 15.985 9.002 814 HG21 THR 111 3HG2 THR 111 3.495 14.394 9.926 815 HG22 THR 111 1HG2 THR 111 4.695 15.543 10.516 816 HG23 THR 111 2HG2 THR 111 4.065 15.690 8.875 817 H ASP 112 H ASP 112 1.777 17.411 13.232 818 HA ASP 112 HA ASP 112 -1.027 17.685 13.501 819 HB2 ASP 112 1HB ASP 112 0.758 18.315 15.205 820 HB3 ASP 112 2HB ASP 112 1.015 19.774 14.253 821 H VAL 113 H VAL 113 -2.285 19.629 13.045 822 HA VAL 113 HA VAL 113 -1.454 20.876 10.506 823 HB VAL 113 HB VAL 113 -3.898 21.240 10.102 824 HG11 VAL 113 1HG1 VAL 113 -2.462 18.694 10.072 825 HG12 VAL 113 2HG1 VAL 113 -4.218 18.526 10.011 826 HG13 VAL 113 3HG1 VAL 113 -3.381 19.495 8.798 827 HG21 VAL 113 3HG2 VAL 113 -5.487 19.866 11.394 828 HG22 VAL 113 1HG2 VAL 113 -4.178 19.411 12.485 829 HG23 VAL 113 2HG2 VAL 113 -4.699 21.093 12.385 830 H ASN 114 H ASN 114 -2.749 21.417 13.706 831 HA ASN 114 HA ASN 114 -3.667 23.995 13.587 832 HB2 ASN 114 1HB ASN 114 -2.063 22.644 15.763 833 HB3 ASN 114 2HB ASN 114 -2.841 24.212 15.964 834 HD21 ASN 114 1HD2 ASN 114 -4.479 23.862 17.295 835 HD22 ASN 114 2HD2 ASN 114 -5.696 22.653 17.095 Start of MODEL 15 1 H1 GLY 1 H GLY 1 8.088 1.289 -30.471 2 HA2 GLY 1 1HA GLY 1 10.786 1.447 -29.734 3 HA3 GLY 1 2HA GLY 1 9.543 0.579 -28.845 4 H SER 2 H SER 2 12.474 0.150 -30.003 5 HA SER 2 HA SER 2 11.987 -2.549 -31.064 6 HB2 SER 2 1HB SER 2 13.331 -1.048 -32.497 7 HB3 SER 2 2HB SER 2 14.506 -0.871 -31.194 8 HG SER 2 HG SER 2 15.392 -2.584 -32.011 9 H SER 3 H SER 3 14.250 -0.827 -28.913 10 HA SER 3 HA SER 3 15.569 -2.924 -27.775 11 HB2 SER 3 1HB SER 3 14.556 -0.489 -26.288 12 HB3 SER 3 2HB SER 3 15.894 -1.524 -25.792 13 HG SER 3 HG SER 3 16.179 0.577 -27.159 14 H GLY 4 H GLY 4 14.600 -4.795 -27.239 15 HA2 GLY 4 1HA GLY 4 12.513 -4.660 -25.159 16 HA3 GLY 4 2HA GLY 4 12.317 -5.713 -26.553 17 H SER 5 H SER 5 13.826 -5.279 -23.483 18 HA SER 5 HA SER 5 14.826 -8.040 -23.629 19 HB2 SER 5 1HB SER 5 16.283 -5.710 -22.356 20 HB3 SER 5 2HB SER 5 16.807 -7.394 -22.318 21 HG SER 5 HG SER 5 16.391 -5.925 -24.707 22 H SER 6 H SER 6 15.166 -9.012 -21.464 23 HA SER 6 HA SER 6 13.956 -7.821 -19.168 24 HB2 SER 6 1HB SER 6 12.116 -9.532 -18.971 25 HB3 SER 6 2HB SER 6 11.878 -8.346 -20.255 26 HG SER 6 HG SER 6 11.700 -10.845 -20.590 27 H GLY 7 H GLY 7 14.239 -9.063 -17.273 28 HA2 GLY 7 1HA GLY 7 16.372 -11.027 -17.518 29 HA3 GLY 7 2HA GLY 7 15.793 -10.295 -16.029 30 H ASN 8 H ASN 8 15.228 -11.937 -14.748 31 HA ASN 8 HA ASN 8 13.006 -13.599 -15.513 32 HB2 ASN 8 1HB ASN 8 14.148 -15.742 -15.101 33 HB3 ASN 8 2HB ASN 8 14.851 -14.889 -16.472 34 HD21 ASN 8 1HD2 ASN 8 16.809 -13.630 -16.041 35 HD22 ASN 8 2HD2 ASN 8 17.931 -14.226 -14.870 36 H ASP 9 H ASP 9 11.899 -14.408 -13.764 37 HA ASP 9 HA ASP 9 12.979 -14.623 -11.153 38 HB2 ASP 9 1HB ASP 9 11.496 -12.771 -10.176 39 HB3 ASP 9 2HB ASP 9 12.981 -12.275 -10.983 40 H ASN 10 H ASN 10 11.308 -15.158 -9.535 41 HA ASN 10 HA ASN 10 8.991 -16.416 -10.841 42 HB2 ASN 10 1HB ASN 10 10.150 -17.148 -8.150 43 HB3 ASN 10 2HB ASN 10 9.008 -18.075 -9.119 44 HD21 ASN 10 1HD2 ASN 10 12.309 -16.853 -9.036 45 HD22 ASN 10 2HD2 ASN 10 12.990 -18.108 -10.008 46 H ARG 11 H ARG 11 9.969 -14.078 -8.530 47 HA ARG 11 HA ARG 11 7.152 -13.625 -7.820 48 HB2 ARG 11 1HB ARG 11 7.656 -13.247 -5.546 49 HB3 ARG 11 2HB ARG 11 8.508 -14.727 -5.967 50 HG2 ARG 11 1HG ARG 11 10.585 -13.458 -6.213 51 HG3 ARG 11 2HG ARG 11 9.727 -11.980 -5.773 52 HD2 ARG 11 1HD ARG 11 9.547 -12.576 -3.574 53 HD3 ARG 11 2HD ARG 11 9.543 -14.302 -3.930 54 HE ARG 11 HE ARG 11 11.828 -12.651 -3.396 55 HH11 ARG 11 1HH1 ARG 11 10.708 -15.544 -4.975 56 HH12 ARG 11 2HH1 ARG 11 12.256 -16.321 -4.937 57 HH21 ARG 11 1HH2 ARG 11 13.872 -13.662 -3.341 58 HH22 ARG 11 2HH2 ARG 11 14.055 -15.250 -4.007 59 HA PRO 12 HA PRO 12 7.927 -9.495 -9.130 60 HB2 PRO 12 1HB PRO 12 5.919 -8.237 -7.804 61 HB3 PRO 12 2HB PRO 12 5.643 -9.256 -9.222 62 HG2 PRO 12 1HG PRO 12 5.325 -9.921 -6.320 63 HG3 PRO 12 2HG PRO 12 4.263 -10.321 -7.683 64 HD2 PRO 12 1HD PRO 12 6.003 -12.103 -6.620 65 HD3 PRO 12 2HD PRO 12 5.569 -12.101 -8.342 66 H VAL 13 H VAL 13 8.815 -7.550 -8.424 67 HA VAL 13 HA VAL 13 9.509 -7.424 -5.561 68 HB VAL 13 HB VAL 13 11.252 -6.480 -7.839 69 HG11 VAL 13 1HG1 VAL 13 11.827 -5.187 -5.998 70 HG12 VAL 13 2HG1 VAL 13 11.538 -6.503 -4.859 71 HG13 VAL 13 3HG1 VAL 13 12.960 -6.534 -5.902 72 HG21 VAL 13 3HG2 VAL 13 10.801 -9.100 -7.109 73 HG22 VAL 13 1HG2 VAL 13 12.214 -8.491 -7.971 74 HG23 VAL 13 2HG2 VAL 13 12.263 -8.674 -6.218 75 H PHE 14 H PHE 14 9.373 -5.463 -4.551 76 HA PHE 14 HA PHE 14 7.867 -3.413 -5.954 77 HB2 PHE 14 1HB PHE 14 8.565 -3.912 -3.074 78 HB3 PHE 14 2HB PHE 14 7.938 -2.348 -3.585 79 HD1 PHE 14 1HD PHE 14 5.741 -2.451 -5.017 80 HD2 PHE 14 2HD PHE 14 7.084 -5.541 -2.416 81 HE1 PHE 14 1HE PHE 14 3.445 -3.323 -4.873 82 HE2 PHE 14 2HE PHE 14 4.791 -6.419 -2.269 83 HZ PHE 14 HZ PHE 14 2.967 -5.310 -3.499 84 H LYS 15 H LYS 15 8.460 -1.091 -5.531 85 HA LYS 15 HA LYS 15 11.019 -0.554 -6.569 86 HB2 LYS 15 1HB LYS 15 9.034 0.928 -6.819 87 HB3 LYS 15 2HB LYS 15 9.179 1.357 -5.119 88 HG2 LYS 15 1HG LYS 15 11.214 2.486 -5.471 89 HG3 LYS 15 2HG LYS 15 11.411 1.788 -7.081 90 HD2 LYS 15 1HD LYS 15 8.981 3.418 -6.549 91 HD3 LYS 15 2HD LYS 15 10.522 4.260 -6.724 92 HE2 LYS 15 1HE LYS 15 9.670 4.217 -8.892 93 HE3 LYS 15 2HE LYS 15 10.804 2.868 -8.865 94 HZ1 LYS 15 3HZ LYS 15 9.167 1.383 -9.132 95 HZ2 LYS 15 1HZ LYS 15 8.269 2.695 -9.710 96 HZ3 LYS 15 2HZ LYS 15 8.097 2.195 -8.104 97 H GLU 16 H GLU 16 9.727 -0.392 -3.281 98 HA GLU 16 HA GLU 16 12.422 -0.577 -2.225 99 HB2 GLU 16 1HB GLU 16 10.604 1.735 -1.523 100 HB3 GLU 16 2HB GLU 16 12.106 1.347 -0.696 101 HG2 GLU 16 1HG GLU 16 13.143 1.547 -3.076 102 HG3 GLU 16 2HG GLU 16 11.682 2.470 -3.423 103 H GLY 17 H GLY 17 12.445 -1.932 -0.552 104 HA2 GLY 17 1HA GLY 17 10.384 -3.448 0.338 105 HA3 GLY 17 2HA GLY 17 11.756 -3.039 1.358 106 H GLN 18 H GLN 18 11.360 -0.343 1.763 107 HA GLN 18 HA GLN 18 8.657 -0.047 2.825 108 HB2 GLN 18 1HB GLN 18 9.563 0.693 5.028 109 HB3 GLN 18 2HB GLN 18 9.815 -1.015 4.695 110 HG2 GLN 18 1HG GLN 18 11.865 1.172 4.432 111 HG3 GLN 18 2HG GLN 18 11.781 -0.040 5.709 112 HE21 GLN 18 1HE2 GLN 18 11.798 -2.340 4.890 113 HE22 GLN 18 2HE2 GLN 18 12.912 -2.700 3.620 114 H VAL 19 H VAL 19 7.927 2.021 2.819 115 HA VAL 19 HA VAL 19 9.860 4.124 2.086 116 HB VAL 19 HB VAL 19 6.988 4.211 1.216 117 HG11 VAL 19 1HG1 VAL 19 9.087 6.007 1.079 118 HG12 VAL 19 2HG1 VAL 19 9.019 5.309 -0.541 119 HG13 VAL 19 3HG1 VAL 19 7.588 6.075 0.151 120 HG21 VAL 19 3HG2 VAL 19 7.544 3.172 -0.875 121 HG22 VAL 19 1HG2 VAL 19 9.236 3.022 -0.402 122 HG23 VAL 19 2HG2 VAL 19 8.001 2.076 0.429 123 H GLU 20 H GLU 20 9.675 6.086 3.086 124 HA GLU 20 HA GLU 20 7.722 6.227 5.283 125 HB2 GLU 20 1HB GLU 20 10.349 6.305 5.596 126 HB3 GLU 20 2HB GLU 20 10.123 7.998 5.179 127 HG2 GLU 20 1HG GLU 20 8.806 8.409 7.062 128 HG3 GLU 20 2HG GLU 20 8.514 6.693 7.341 129 H VAL 21 H VAL 21 6.026 7.435 4.756 130 HA VAL 21 HA VAL 21 6.434 9.808 3.068 131 HB VAL 21 HB VAL 21 4.021 9.759 2.657 132 HG11 VAL 21 1HG1 VAL 21 5.797 8.294 1.416 133 HG12 VAL 21 2HG1 VAL 21 4.913 6.957 2.154 134 HG13 VAL 21 3HG1 VAL 21 4.078 8.083 1.083 135 HG21 VAL 21 3HG2 VAL 21 2.835 7.592 3.401 136 HG22 VAL 21 1HG2 VAL 21 4.116 7.488 4.609 137 HG23 VAL 21 2HG2 VAL 21 3.042 8.886 4.581 138 H HIS 22 H HIS 22 5.250 11.760 3.598 139 HA HIS 22 HA HIS 22 4.693 12.028 6.479 140 HB2 HIS 22 1HB HIS 22 6.297 13.798 4.658 141 HB3 HIS 22 2HB HIS 22 5.511 14.466 6.085 142 HD1 HIS 22 1HD HIS 22 8.618 13.073 5.051 143 HD2 HIS 22 2HD HIS 22 6.338 12.875 8.518 144 HE1 HIS 22 1HE HIS 22 10.204 12.333 6.857 145 HE2 HIS 22 2HE HIS 22 8.783 12.138 8.927 146 H ILE 23 H ILE 23 2.524 12.130 6.535 147 HA ILE 23 HA ILE 23 1.224 14.159 4.838 148 HB ILE 23 HB ILE 23 0.663 11.767 4.232 149 HG12 ILE 23 1HG1 ILE 23 -1.546 13.624 5.136 150 HG13 ILE 23 2HG1 ILE 23 -0.777 13.596 3.553 151 HG21 ILE 23 1HG2 ILE 23 -1.261 11.576 6.435 152 HG22 ILE 23 2HG2 ILE 23 -0.258 10.332 5.691 153 HG23 ILE 23 3HG2 ILE 23 0.427 11.400 6.915 154 HD11 ILE 23 3HD1 ILE 23 -2.939 12.556 3.434 155 HD12 ILE 23 1HD1 ILE 23 -1.687 11.338 3.189 156 HD13 ILE 23 2HD1 ILE 23 -2.517 11.450 4.742 157 HA PRO 24 HA PRO 24 -0.038 15.968 8.665 158 HB2 PRO 24 1HB PRO 24 -1.958 17.615 7.678 159 HB3 PRO 24 2HB PRO 24 -0.229 17.932 7.487 160 HG2 PRO 24 1HG PRO 24 -2.161 16.729 5.542 161 HG3 PRO 24 2HG PRO 24 -0.891 17.933 5.258 162 HD2 PRO 24 1HD PRO 24 -0.574 15.313 4.655 163 HD3 PRO 24 2HD PRO 24 0.775 16.342 5.177 164 H GLU 25 H GLU 25 -1.781 15.958 10.129 165 HA GLU 25 HA GLU 25 -3.523 13.731 9.914 166 HB2 GLU 25 1HB GLU 25 -4.502 14.600 12.037 167 HB3 GLU 25 2HB GLU 25 -2.755 14.414 12.085 168 HG2 GLU 25 1HG GLU 25 -2.473 16.803 11.737 169 HG3 GLU 25 2HG GLU 25 -4.222 17.004 11.638 170 H ASN 26 H ASN 26 -3.905 17.174 9.366 171 HA ASN 26 HA ASN 26 -6.772 16.905 8.949 172 HB2 ASN 26 1HB ASN 26 -5.802 18.897 10.111 173 HB3 ASN 26 2HB ASN 26 -5.027 19.351 8.596 174 HD21 ASN 26 1HD2 ASN 26 -6.059 21.077 7.886 175 HD22 ASN 26 2HD2 ASN 26 -7.772 21.236 7.726 176 H ALA 27 H ALA 27 -4.745 15.608 7.180 177 HA ALA 27 HA ALA 27 -4.579 16.925 4.707 178 HB1 ALA 27 3HB ALA 27 -4.577 13.969 5.301 179 HB2 ALA 27 1HB ALA 27 -4.095 14.701 3.770 180 HB3 ALA 27 2HB ALA 27 -3.169 15.029 5.235 181 HA PRO 28 HA PRO 28 -8.681 16.662 3.126 182 HB2 PRO 28 1HB PRO 28 -8.126 16.865 0.476 183 HB3 PRO 28 2HB PRO 28 -8.025 18.236 1.586 184 HG2 PRO 28 1HG PRO 28 -5.836 16.486 0.534 185 HG3 PRO 28 2HG PRO 28 -5.863 18.249 0.730 186 HD2 PRO 28 1HD PRO 28 -4.631 16.605 2.494 187 HD3 PRO 28 2HD PRO 28 -5.396 18.131 2.984 188 H VAL 29 H VAL 29 -10.032 15.041 2.624 189 HA VAL 29 HA VAL 29 -9.154 12.403 2.308 190 HB VAL 29 HB VAL 29 -11.821 13.709 1.841 191 HG11 VAL 29 1HG1 VAL 29 -10.962 10.933 1.181 192 HG12 VAL 29 2HG1 VAL 29 -12.584 11.199 1.823 193 HG13 VAL 29 3HG1 VAL 29 -12.082 11.998 0.332 194 HG21 VAL 29 3HG2 VAL 29 -12.455 12.685 3.864 195 HG22 VAL 29 1HG2 VAL 29 -11.066 11.599 3.843 196 HG23 VAL 29 2HG2 VAL 29 -10.836 13.320 4.155 197 H GLY 30 H GLY 30 -8.789 11.109 0.576 198 HA2 GLY 30 1HA GLY 30 -9.097 10.497 -1.724 199 HA3 GLY 30 2HA GLY 30 -9.341 12.195 -2.103 200 H THR 31 H THR 31 -6.891 12.432 -0.087 201 HA THR 31 HA THR 31 -4.959 12.869 -2.112 202 HB THR 31 HB THR 31 -4.411 12.579 0.844 203 HG1 THR 31 1HG THR 31 -6.118 14.189 -0.023 204 HG21 THR 31 3HG2 THR 31 -2.870 14.612 -0.319 205 HG22 THR 31 1HG2 THR 31 -2.803 13.259 -1.447 206 HG23 THR 31 2HG2 THR 31 -2.315 13.032 0.232 207 H SER 32 H SER 32 -3.369 11.610 -2.899 208 HA SER 32 HA SER 32 -3.393 8.802 -2.197 209 HB2 SER 32 1HB SER 32 -2.142 10.436 -4.377 210 HB3 SER 32 2HB SER 32 -1.537 8.811 -4.054 211 HG SER 32 HG SER 32 -3.168 8.141 -5.179 212 H VAL 33 H VAL 33 -2.322 8.260 -0.403 213 HA VAL 33 HA VAL 33 -0.083 9.672 0.617 214 HB VAL 33 HB VAL 33 -1.036 6.884 1.288 215 HG11 VAL 33 1HG1 VAL 33 0.499 6.766 2.931 216 HG12 VAL 33 2HG1 VAL 33 1.371 7.937 1.939 217 HG13 VAL 33 3HG1 VAL 33 0.390 8.488 3.298 218 HG21 VAL 33 3HG2 VAL 33 -2.311 9.324 1.699 219 HG22 VAL 33 1HG2 VAL 33 -2.672 7.791 2.495 220 HG23 VAL 33 2HG2 VAL 33 -1.566 8.938 3.250 221 H ILE 34 H ILE 34 -0.174 6.256 -0.399 222 HA ILE 34 HA ILE 34 2.365 6.647 -1.808 223 HB ILE 34 HB ILE 34 3.043 5.837 0.361 224 HG12 ILE 34 1HG1 ILE 34 3.147 3.374 -1.346 225 HG13 ILE 34 2HG1 ILE 34 3.948 4.845 -1.887 226 HG21 ILE 34 1HG2 ILE 34 2.072 3.267 0.622 227 HG22 ILE 34 2HG2 ILE 34 1.544 4.679 1.537 228 HG23 ILE 34 3HG2 ILE 34 0.667 4.190 0.087 229 HD11 ILE 34 3HD1 ILE 34 4.515 3.999 0.877 230 HD12 ILE 34 1HD1 ILE 34 5.141 2.965 -0.407 231 HD13 ILE 34 2HD1 ILE 34 5.586 4.671 -0.353 232 H GLN 35 H GLN 35 2.639 5.381 -3.597 233 HA GLN 35 HA GLN 35 0.531 3.410 -4.176 234 HB2 GLN 35 1HB GLN 35 0.029 5.373 -5.476 235 HB3 GLN 35 2HB GLN 35 1.692 5.488 -6.033 236 HG2 GLN 35 1HG GLN 35 1.312 3.198 -7.090 237 HG3 GLN 35 2HG GLN 35 -0.403 3.490 -6.802 238 HE21 GLN 35 1HE2 GLN 35 -1.215 3.869 -8.753 239 HE22 GLN 35 2HE2 GLN 35 -0.634 5.055 -9.867 240 H LEU 36 H LEU 36 1.479 1.482 -4.180 241 HA LEU 36 HA LEU 36 4.254 1.102 -4.707 242 HB2 LEU 36 1HB LEU 36 1.971 -0.840 -4.416 243 HB3 LEU 36 2HB LEU 36 3.652 -1.329 -4.617 244 HG LEU 36 HG LEU 36 3.894 0.288 -2.478 245 HD11 LEU 36 1HD1 LEU 36 1.172 -0.979 -2.204 246 HD12 LEU 36 2HD1 LEU 36 1.486 0.746 -2.394 247 HD13 LEU 36 3HD1 LEU 36 2.048 -0.098 -0.952 248 HD21 LEU 36 3HD2 LEU 36 3.150 -2.633 -2.524 249 HD22 LEU 36 1HD2 LEU 36 3.802 -1.792 -1.117 250 HD23 LEU 36 2HD2 LEU 36 4.772 -1.941 -2.583 251 H HIS 37 H HIS 37 5.278 0.313 -6.496 252 HA HIS 37 HA HIS 37 3.637 0.085 -8.933 253 HB2 HIS 37 1HB HIS 37 5.459 1.955 -8.620 254 HB3 HIS 37 2HB HIS 37 6.575 0.655 -9.027 255 HD1 HIS 37 1HD HIS 37 3.712 2.626 -10.484 256 HD2 HIS 37 2HD HIS 37 6.687 -0.007 -11.699 257 HE1 HIS 37 1HE HIS 37 3.654 2.660 -12.998 258 HE2 HIS 37 2HE HIS 37 5.405 0.995 -13.710 259 H ALA 38 H ALA 38 3.344 -1.993 -9.409 260 HA ALA 38 HA ALA 38 5.703 -3.749 -9.442 261 HB1 ALA 38 3HB ALA 38 4.654 -5.483 -8.343 262 HB2 ALA 38 1HB ALA 38 4.038 -4.080 -7.470 263 HB3 ALA 38 2HB ALA 38 3.038 -4.868 -8.691 264 H THR 39 H THR 39 6.035 -4.053 -11.556 265 HA THR 39 HA THR 39 3.722 -4.529 -13.304 266 HB THR 39 HB THR 39 5.286 -4.124 -15.183 267 HG1 THR 39 1HG THR 39 7.377 -3.731 -14.824 268 HG21 THR 39 3HG2 THR 39 5.835 -1.693 -13.723 269 HG22 THR 39 1HG2 THR 39 4.193 -2.256 -13.416 270 HG23 THR 39 2HG2 THR 39 4.730 -1.965 -15.070 271 H ASP 40 H ASP 40 3.868 -6.216 -14.918 272 HA ASP 40 HA ASP 40 5.732 -8.386 -14.249 273 HB2 ASP 40 1HB ASP 40 3.764 -9.971 -14.705 274 HB3 ASP 40 2HB ASP 40 3.782 -9.126 -13.160 275 H ALA 41 H ALA 41 6.955 -8.018 -16.082 276 HA ALA 41 HA ALA 41 5.693 -7.907 -18.685 277 HB1 ALA 41 3HB ALA 41 8.273 -8.047 -19.313 278 HB2 ALA 41 1HB ALA 41 7.513 -6.551 -18.769 279 HB3 ALA 41 2HB ALA 41 8.438 -7.534 -17.633 280 H ASP 42 H ASP 42 8.292 -9.965 -17.361 281 HA ASP 42 HA ASP 42 7.607 -12.056 -19.256 282 HB2 ASP 42 1HB ASP 42 9.589 -13.224 -18.169 283 HB3 ASP 42 2HB ASP 42 9.942 -11.716 -19.009 284 H ILE 43 H ILE 43 7.727 -11.611 -15.738 285 HA ILE 43 HA ILE 43 7.015 -14.136 -14.896 286 HB ILE 43 HB ILE 43 7.616 -12.408 -13.311 287 HG12 ILE 43 1HG1 ILE 43 5.573 -12.655 -11.728 288 HG13 ILE 43 2HG1 ILE 43 4.900 -13.660 -13.007 289 HG21 ILE 43 1HG2 ILE 43 5.009 -11.056 -13.327 290 HG22 ILE 43 2HG2 ILE 43 6.632 -10.396 -13.127 291 HG23 ILE 43 3HG2 ILE 43 6.018 -10.753 -14.741 292 HD11 ILE 43 3HD1 ILE 43 6.138 -14.820 -11.114 293 HD12 ILE 43 1HD1 ILE 43 6.562 -15.278 -12.763 294 HD13 ILE 43 2HD1 ILE 43 7.611 -14.191 -11.852 295 H GLY 44 H GLY 44 5.407 -15.357 -15.644 296 HA2 GLY 44 1HA GLY 44 3.324 -16.016 -16.352 297 HA3 GLY 44 2HA GLY 44 2.723 -14.850 -15.182 298 H SER 45 H SER 45 3.246 -15.548 -18.507 299 HA SER 45 HA SER 45 3.233 -13.262 -19.888 300 HB2 SER 45 1HB SER 45 1.394 -15.622 -20.322 301 HB3 SER 45 2HB SER 45 1.605 -14.324 -21.498 302 HG SER 45 HG SER 45 3.146 -15.639 -22.143 303 H ASN 46 H ASN 46 0.260 -14.633 -18.476 304 HA ASN 46 HA ASN 46 -0.896 -11.923 -18.533 305 HB2 ASN 46 1HB ASN 46 -2.081 -13.362 -20.088 306 HB3 ASN 46 2HB ASN 46 -2.295 -14.587 -18.841 307 HD21 ASN 46 1HD2 ASN 46 -3.126 -11.292 -19.748 308 HD22 ASN 46 2HD2 ASN 46 -4.621 -11.237 -18.884 309 H ALA 47 H ALA 47 -0.741 -11.148 -16.523 310 HA ALA 47 HA ALA 47 -2.022 -12.624 -14.369 311 HB1 ALA 47 3HB ALA 47 0.790 -11.595 -14.028 312 HB2 ALA 47 1HB ALA 47 -0.178 -12.478 -12.847 313 HB3 ALA 47 2HB ALA 47 0.377 -13.286 -14.313 314 H GLU 48 H GLU 48 -3.174 -11.304 -13.100 315 HA GLU 48 HA GLU 48 -2.838 -8.416 -13.474 316 HB2 GLU 48 1HB GLU 48 -5.139 -10.110 -12.525 317 HB3 GLU 48 2HB GLU 48 -5.117 -8.367 -12.293 318 HG2 GLU 48 1HG GLU 48 -6.383 -8.949 -14.268 319 HG3 GLU 48 2HG GLU 48 -4.936 -8.043 -14.705 320 H ILE 49 H ILE 49 -0.990 -8.319 -12.063 321 HA ILE 49 HA ILE 49 -0.799 -9.171 -9.460 322 HB ILE 49 HB ILE 49 0.242 -6.628 -10.700 323 HG12 ILE 49 1HG1 ILE 49 1.422 -9.348 -10.137 324 HG13 ILE 49 2HG1 ILE 49 1.229 -8.556 -11.697 325 HG21 ILE 49 1HG2 ILE 49 1.717 -6.400 -8.785 326 HG22 ILE 49 2HG2 ILE 49 0.032 -6.349 -8.271 327 HG23 ILE 49 3HG2 ILE 49 0.983 -7.814 -8.029 328 HD11 ILE 49 3HD1 ILE 49 3.466 -8.277 -11.313 329 HD12 ILE 49 1HD1 ILE 49 2.821 -6.771 -10.661 330 HD13 ILE 49 2HD1 ILE 49 3.257 -8.089 -9.572 331 H ARG 50 H ARG 50 -2.517 -9.034 -8.116 332 HA ARG 50 HA ARG 50 -3.812 -6.428 -7.751 333 HB2 ARG 50 1HB ARG 50 -4.635 -9.254 -7.208 334 HB3 ARG 50 2HB ARG 50 -5.380 -7.949 -6.295 335 HG2 ARG 50 1HG ARG 50 -5.740 -6.932 -8.699 336 HG3 ARG 50 2HG ARG 50 -5.614 -8.627 -9.175 337 HD2 ARG 50 1HD ARG 50 -7.311 -8.948 -7.179 338 HD3 ARG 50 2HD ARG 50 -7.678 -7.259 -7.524 339 HE ARG 50 HE ARG 50 -7.751 -8.548 -9.953 340 HH11 ARG 50 1HH1 ARG 50 -9.404 -8.817 -6.901 341 HH12 ARG 50 2HH1 ARG 50 -10.875 -9.406 -7.602 342 HH21 ARG 50 1HH2 ARG 50 -9.682 -9.324 -10.887 343 HH22 ARG 50 2HH2 ARG 50 -11.032 -9.695 -9.869 344 H TYR 51 H TYR 51 -3.924 -5.421 -5.765 345 HA TYR 51 HA TYR 51 -2.063 -6.458 -3.733 346 HB2 TYR 51 1HB TYR 51 -2.989 -3.604 -3.851 347 HB3 TYR 51 2HB TYR 51 -1.518 -4.262 -3.142 348 HD1 TYR 51 1HD TYR 51 -3.198 -3.801 -6.441 349 HD2 TYR 51 2HD TYR 51 0.477 -4.124 -4.321 350 HE1 TYR 51 1HE TYR 51 -1.969 -3.254 -8.500 351 HE2 TYR 51 2HE TYR 51 1.716 -3.577 -6.374 352 HH TYR 51 HH TYR 51 1.535 -3.413 -8.645 353 H ILE 52 H ILE 52 -2.660 -6.522 -1.582 354 HA ILE 52 HA ILE 52 -5.378 -5.714 -0.868 355 HB ILE 52 HB ILE 52 -5.743 -7.892 0.305 356 HG12 ILE 52 1HG1 ILE 52 -3.432 -8.830 -1.407 357 HG13 ILE 52 2HG1 ILE 52 -3.346 -8.572 0.332 358 HG21 ILE 52 1HG2 ILE 52 -6.872 -7.458 -1.772 359 HG22 ILE 52 2HG2 ILE 52 -5.450 -7.942 -2.694 360 HG23 ILE 52 3HG2 ILE 52 -6.341 -9.140 -1.756 361 HD11 ILE 52 3HD1 ILE 52 -5.269 -10.255 0.476 362 HD12 ILE 52 1HD1 ILE 52 -4.842 -10.672 -1.183 363 HD13 ILE 52 2HD1 ILE 52 -3.655 -10.861 0.107 364 H PHE 53 H PHE 53 -5.695 -6.298 1.598 365 HA PHE 53 HA PHE 53 -3.646 -4.858 2.993 366 HB2 PHE 53 1HB PHE 53 -6.186 -6.199 3.932 367 HB3 PHE 53 2HB PHE 53 -5.112 -5.298 4.997 368 HD1 PHE 53 2HD PHE 53 -4.652 -2.853 4.408 369 HD2 PHE 53 1HD PHE 53 -7.848 -5.111 2.734 370 HE1 PHE 53 2HE PHE 53 -5.806 -0.766 3.804 371 HE2 PHE 53 1HE PHE 53 -9.006 -3.027 2.126 372 HZ PHE 53 HZ PHE 53 -7.986 -0.851 2.662 373 H GLY 54 H GLY 54 -2.280 -5.593 4.619 374 HA2 GLY 54 1HA GLY 54 -1.253 -8.212 4.293 375 HA3 GLY 54 2HA GLY 54 -0.796 -7.076 5.554 376 H ALA 55 H ALA 55 -0.670 -8.959 6.941 377 HA ALA 55 HA ALA 55 -3.277 -10.061 7.727 378 HB1 ALA 55 3HB ALA 55 -1.985 -11.909 7.429 379 HB2 ALA 55 1HB ALA 55 -0.490 -11.069 7.845 380 HB3 ALA 55 2HB ALA 55 -1.600 -11.579 9.118 381 H GLN 56 H GLN 56 -3.877 -10.154 9.934 382 HA GLN 56 HA GLN 56 -4.226 -9.233 11.985 383 HB2 GLN 56 1HB GLN 56 -1.269 -9.461 11.762 384 HB3 GLN 56 2HB GLN 56 -1.908 -8.507 13.095 385 HG2 GLN 56 1HG GLN 56 -2.450 -11.404 12.502 386 HG3 GLN 56 2HG GLN 56 -1.542 -10.737 13.858 387 HE21 GLN 56 1HE2 GLN 56 -4.567 -11.719 12.725 388 HE22 GLN 56 2HE2 GLN 56 -5.518 -11.188 14.065 389 H VAL 57 H VAL 57 -4.604 -7.482 9.857 390 HA VAL 57 HA VAL 57 -3.401 -4.945 10.677 391 HB VAL 57 HB VAL 57 -5.172 -5.581 8.313 392 HG11 VAL 57 1HG1 VAL 57 -5.063 -3.400 7.649 393 HG12 VAL 57 2HG1 VAL 57 -5.043 -3.173 9.399 394 HG13 VAL 57 3HG1 VAL 57 -3.537 -3.107 8.482 395 HG21 VAL 57 3HG2 VAL 57 -2.778 -4.851 7.284 396 HG22 VAL 57 1HG2 VAL 57 -2.267 -5.670 8.760 397 HG23 VAL 57 2HG2 VAL 57 -3.260 -6.522 7.577 398 H ALA 58 H ALA 58 -4.450 -3.495 11.871 399 HA ALA 58 HA ALA 58 -6.928 -4.019 13.068 400 HB1 ALA 58 3HB ALA 58 -6.757 -1.416 13.508 401 HB2 ALA 58 1HB ALA 58 -5.708 -2.569 14.333 402 HB3 ALA 58 2HB ALA 58 -5.109 -1.676 12.935 403 HA PRO 59 HA PRO 59 -9.890 -2.734 10.081 404 HB2 PRO 59 1HB PRO 59 -11.929 -2.030 11.730 405 HB3 PRO 59 2HB PRO 59 -11.468 -3.711 11.435 406 HG2 PRO 59 1HG PRO 59 -10.777 -1.934 13.743 407 HG3 PRO 59 2HG PRO 59 -11.272 -3.637 13.751 408 HD2 PRO 59 1HD PRO 59 -8.687 -2.870 13.997 409 HD3 PRO 59 2HD PRO 59 -9.163 -4.383 13.199 410 H ALA 60 H ALA 60 -9.419 -0.564 12.858 411 HA ALA 60 HA ALA 60 -10.598 1.732 11.883 412 HB1 ALA 60 3HB ALA 60 -9.718 2.723 13.691 413 HB2 ALA 60 1HB ALA 60 -9.170 1.100 14.113 414 HB3 ALA 60 2HB ALA 60 -8.077 2.215 13.294 415 H THR 61 H THR 61 -7.273 0.594 11.371 416 HA THR 61 HA THR 61 -6.343 2.784 9.901 417 HB THR 61 HB THR 61 -5.521 -0.121 9.780 418 HG1 THR 61 1HG THR 61 -4.803 2.109 11.310 419 HG21 THR 61 3HG2 THR 61 -4.534 0.502 7.841 420 HG22 THR 61 1HG2 THR 61 -3.347 1.231 8.922 421 HG23 THR 61 2HG2 THR 61 -4.628 2.221 8.222 422 H LYS 62 H LYS 62 -8.035 -0.142 8.870 423 HA LYS 62 HA LYS 62 -7.823 0.388 6.081 424 HB2 LYS 62 1HB LYS 62 -9.714 -1.382 7.638 425 HB3 LYS 62 2HB LYS 62 -9.619 -1.345 5.883 426 HG2 LYS 62 1HG LYS 62 -7.203 -1.979 6.094 427 HG3 LYS 62 2HG LYS 62 -7.494 -2.230 7.817 428 HD2 LYS 62 1HD LYS 62 -9.302 -3.561 5.861 429 HD3 LYS 62 2HD LYS 62 -7.678 -4.215 6.085 430 HE2 LYS 62 1HE LYS 62 -8.804 -5.399 7.682 431 HE3 LYS 62 2HE LYS 62 -8.314 -3.999 8.634 432 HZ1 LYS 62 3HZ LYS 62 -10.642 -4.543 8.984 433 HZ2 LYS 62 1HZ LYS 62 -10.960 -4.357 7.333 434 HZ3 LYS 62 2HZ LYS 62 -10.489 -3.023 8.259 435 H ARG 63 H ARG 63 -9.770 1.669 8.562 436 HA ARG 63 HA ARG 63 -11.914 2.483 6.769 437 HB2 ARG 63 1HB ARG 63 -11.464 2.546 9.715 438 HB3 ARG 63 2HB ARG 63 -12.569 3.727 9.025 439 HG2 ARG 63 1HG ARG 63 -13.805 1.829 7.968 440 HG3 ARG 63 2HG ARG 63 -12.781 0.731 8.895 441 HD2 ARG 63 1HD ARG 63 -13.547 2.053 10.949 442 HD3 ARG 63 2HD ARG 63 -14.800 2.713 9.898 443 HE ARG 63 HE ARG 63 -14.683 0.065 11.004 444 HH11 ARG 63 1HH1 ARG 63 -15.932 2.030 8.417 445 HH12 ARG 63 2HH1 ARG 63 -17.267 0.976 8.086 446 HH21 ARG 63 1HH2 ARG 63 -16.436 -1.331 10.578 447 HH22 ARG 63 2HH2 ARG 63 -17.553 -0.935 9.316 448 H LEU 64 H LEU 64 -9.036 3.760 8.218 449 HA LEU 64 HA LEU 64 -9.728 6.513 7.620 450 HB2 LEU 64 1HB LEU 64 -7.322 5.182 8.826 451 HB3 LEU 64 2HB LEU 64 -7.323 6.891 8.396 452 HG LEU 64 HG LEU 64 -9.375 5.742 10.263 453 HD11 LEU 64 1HD1 LEU 64 -6.868 5.365 10.910 454 HD12 LEU 64 2HD1 LEU 64 -8.021 5.971 12.099 455 HD13 LEU 64 3HD1 LEU 64 -6.922 7.087 11.289 456 HD21 LEU 64 3HD2 LEU 64 -8.549 8.389 10.858 457 HD22 LEU 64 1HD2 LEU 64 -10.116 7.831 10.274 458 HD23 LEU 64 2HD2 LEU 64 -8.861 8.293 9.125 459 H PHE 65 H PHE 65 -7.635 3.970 6.380 460 HA PHE 65 HA PHE 65 -6.949 5.717 4.109 461 HB2 PHE 65 1HB PHE 65 -5.423 3.451 5.385 462 HB3 PHE 65 2HB PHE 65 -5.017 4.082 3.792 463 HD1 PHE 65 1HD PHE 65 -4.507 6.588 3.621 464 HD2 PHE 65 2HD PHE 65 -4.557 4.438 7.294 465 HE1 PHE 65 1HE PHE 65 -3.140 8.347 4.665 466 HE2 PHE 65 2HE PHE 65 -3.191 6.194 8.344 467 HZ PHE 65 HZ PHE 65 -2.481 8.152 7.030 468 H ALA 66 H ALA 66 -7.704 5.172 2.171 469 HA ALA 66 HA ALA 66 -9.004 2.561 1.868 470 HB1 ALA 66 3HB ALA 66 -10.421 3.503 0.316 471 HB2 ALA 66 1HB ALA 66 -10.128 4.867 1.396 472 HB3 ALA 66 2HB ALA 66 -9.266 4.755 -0.139 473 H LEU 67 H LEU 67 -7.814 1.027 0.955 474 HA LEU 67 HA LEU 67 -5.780 1.784 -1.024 475 HB2 LEU 67 1HB LEU 67 -4.731 0.549 0.633 476 HB3 LEU 67 2HB LEU 67 -6.104 -0.537 0.831 477 HG LEU 67 HG LEU 67 -5.516 -1.456 -1.466 478 HD11 LEU 67 1HD1 LEU 67 -2.746 -0.514 -1.044 479 HD12 LEU 67 2HD1 LEU 67 -3.893 0.650 -1.705 480 HD13 LEU 67 3HD1 LEU 67 -3.610 -0.878 -2.538 481 HD21 LEU 67 3HD2 LEU 67 -4.134 -3.066 -0.537 482 HD22 LEU 67 1HD2 LEU 67 -4.953 -2.403 0.878 483 HD23 LEU 67 2HD2 LEU 67 -3.304 -1.904 0.499 484 H ASN 68 H ASN 68 -5.742 0.906 -3.060 485 HA ASN 68 HA ASN 68 -8.225 -0.386 -3.916 486 HB2 ASN 68 1HB ASN 68 -6.131 1.249 -5.290 487 HB3 ASN 68 2HB ASN 68 -7.096 0.127 -6.245 488 HD21 ASN 68 1HD2 ASN 68 -7.473 2.476 -7.091 489 HD22 ASN 68 2HD2 ASN 68 -8.906 3.230 -6.489 490 H ASN 69 H ASN 69 -8.232 -2.263 -5.192 491 HA ASN 69 HA ASN 69 -5.832 -3.925 -4.857 492 HB2 ASN 69 1HB ASN 69 -8.662 -4.819 -5.446 493 HB3 ASN 69 2HB ASN 69 -7.296 -5.851 -5.033 494 HD21 ASN 69 1HD2 ASN 69 -7.999 -6.718 -3.174 495 HD22 ASN 69 2HD2 ASN 69 -8.385 -5.812 -1.754 496 H THR 70 H THR 70 -6.967 -1.974 -7.102 497 HA THR 70 HA THR 70 -6.344 -3.792 -9.338 498 HB THR 70 HB THR 70 -7.600 -2.136 -10.771 499 HG1 THR 70 1HG THR 70 -9.198 -0.924 -9.374 500 HG21 THR 70 3HG2 THR 70 -8.494 -4.313 -9.454 501 HG22 THR 70 1HG2 THR 70 -9.495 -3.359 -10.549 502 HG23 THR 70 2HG2 THR 70 -9.590 -3.091 -8.808 503 H THR 71 H THR 71 -5.628 -0.784 -7.763 504 HA THR 71 HA THR 71 -3.572 -0.223 -9.802 505 HB THR 71 HB THR 71 -3.739 2.102 -9.366 506 HG1 THR 71 1HG THR 71 -5.549 1.491 -7.249 507 HG21 THR 71 3HG2 THR 71 -5.625 2.359 -10.534 508 HG22 THR 71 1HG2 THR 71 -6.613 1.812 -9.181 509 HG23 THR 71 2HG2 THR 71 -5.918 0.637 -10.297 510 H GLY 72 H GLY 72 -4.248 -0.802 -6.466 511 HA2 GLY 72 1HA GLY 72 -2.805 -1.285 -4.733 512 HA3 GLY 72 2HA GLY 72 -1.472 -1.142 -5.870 513 H LEU 73 H LEU 73 -3.843 1.371 -5.199 514 HA LEU 73 HA LEU 73 -1.657 3.028 -4.135 515 HB2 LEU 73 1HB LEU 73 -2.423 4.115 -6.026 516 HB3 LEU 73 2HB LEU 73 -4.096 3.641 -5.743 517 HG LEU 73 HG LEU 73 -3.628 6.082 -5.475 518 HD11 LEU 73 1HD1 LEU 73 -4.484 5.414 -2.789 519 HD12 LEU 73 2HD1 LEU 73 -5.261 4.402 -4.006 520 HD13 LEU 73 3HD1 LEU 73 -5.383 6.158 -4.111 521 HD21 LEU 73 3HD2 LEU 73 -1.508 5.107 -3.876 522 HD22 LEU 73 1HD2 LEU 73 -2.610 5.987 -2.817 523 HD23 LEU 73 2HD2 LEU 73 -1.928 6.782 -4.236 524 H ILE 74 H ILE 74 -1.941 4.212 -2.260 525 HA ILE 74 HA ILE 74 -4.309 3.487 -0.661 526 HB ILE 74 HB ILE 74 -1.540 4.168 0.336 527 HG12 ILE 74 1HG1 ILE 74 -3.012 1.524 0.328 528 HG13 ILE 74 2HG1 ILE 74 -1.697 1.952 -0.761 529 HG21 ILE 74 1HG2 ILE 74 -3.737 3.019 2.006 530 HG22 ILE 74 2HG2 ILE 74 -2.306 3.921 2.504 531 HG23 ILE 74 3HG2 ILE 74 -3.649 4.758 1.726 532 HD11 ILE 74 3HD1 ILE 74 -0.161 1.422 0.747 533 HD12 ILE 74 1HD1 ILE 74 -0.979 2.329 2.018 534 HD13 ILE 74 2HD1 ILE 74 -1.467 0.672 1.664 535 H THR 75 H THR 75 -5.673 5.147 -0.603 536 HA THR 75 HA THR 75 -4.595 7.878 -0.477 537 HB THR 75 HB THR 75 -7.090 8.460 -0.930 538 HG1 THR 75 1HG THR 75 -7.794 6.245 -0.629 539 HG21 THR 75 3HG2 THR 75 -4.960 7.554 -2.749 540 HG22 THR 75 1HG2 THR 75 -5.871 9.063 -2.733 541 HG23 THR 75 2HG2 THR 75 -6.574 7.616 -3.455 542 H VAL 76 H VAL 76 -6.394 9.360 0.680 543 HA VAL 76 HA VAL 76 -6.497 8.349 3.418 544 HB VAL 76 HB VAL 76 -6.991 11.128 2.340 545 HG11 VAL 76 1HG1 VAL 76 -6.446 11.295 5.051 546 HG12 VAL 76 2HG1 VAL 76 -8.021 11.499 4.281 547 HG13 VAL 76 3HG1 VAL 76 -7.546 9.923 4.917 548 HG21 VAL 76 3HG2 VAL 76 -4.726 10.651 4.134 549 HG22 VAL 76 1HG2 VAL 76 -4.602 9.833 2.576 550 HG23 VAL 76 2HG2 VAL 76 -4.814 11.583 2.639 551 H GLN 77 H GLN 77 -8.275 7.158 3.783 552 HA GLN 77 HA GLN 77 -10.760 7.517 2.498 553 HB2 GLN 77 1HB GLN 77 -9.924 5.418 3.636 554 HB3 GLN 77 2HB GLN 77 -10.321 6.183 5.169 555 HG2 GLN 77 1HG GLN 77 -12.572 6.004 4.839 556 HG3 GLN 77 2HG GLN 77 -12.428 6.033 3.082 557 HE21 GLN 77 1HE2 GLN 77 -14.069 4.223 4.227 558 HE22 GLN 77 2HE2 GLN 77 -13.405 2.633 4.092 559 H ARG 78 H ARG 78 -9.549 8.550 5.662 560 HA ARG 78 HA ARG 78 -11.442 10.729 5.702 561 HB2 ARG 78 1HB ARG 78 -12.764 10.103 7.467 562 HB3 ARG 78 2HB ARG 78 -12.477 8.528 6.739 563 HG2 ARG 78 1HG ARG 78 -10.692 8.104 8.351 564 HG3 ARG 78 2HG ARG 78 -10.980 9.684 9.082 565 HD2 ARG 78 1HD ARG 78 -13.454 8.741 9.231 566 HD3 ARG 78 2HD ARG 78 -12.600 7.198 9.213 567 HE ARG 78 HE ARG 78 -11.617 9.136 11.123 568 HH11 ARG 78 1HH1 ARG 78 -13.747 6.447 10.529 569 HH12 ARG 78 2HH1 ARG 78 -13.865 6.003 12.200 570 HH21 ARG 78 1HH2 ARG 78 -11.764 8.562 13.325 571 HH22 ARG 78 2HH2 ARG 78 -12.737 7.207 13.790 572 H SER 79 H SER 79 -11.141 12.062 7.748 573 HA SER 79 HA SER 79 -8.526 12.910 7.975 574 HB2 SER 79 1HB SER 79 -10.542 14.190 8.715 575 HB3 SER 79 2HB SER 79 -10.631 13.150 10.137 576 HG SER 79 HG SER 79 -8.284 14.583 9.493 577 H LEU 80 H LEU 80 -6.809 12.448 9.261 578 HA LEU 80 HA LEU 80 -7.014 10.004 10.870 579 HB2 LEU 80 1HB LEU 80 -4.464 11.375 10.087 580 HB3 LEU 80 2HB LEU 80 -4.710 9.694 10.554 581 HG LEU 80 HG LEU 80 -5.856 10.813 8.012 582 HD11 LEU 80 1HD1 LEU 80 -3.540 11.257 7.789 583 HD12 LEU 80 2HD1 LEU 80 -3.855 9.763 6.908 584 HD13 LEU 80 3HD1 LEU 80 -3.103 9.704 8.502 585 HD21 LEU 80 3HD2 LEU 80 -6.597 8.743 7.695 586 HD22 LEU 80 1HD2 LEU 80 -6.106 8.372 9.348 587 HD23 LEU 80 2HD2 LEU 80 -4.999 8.064 8.009 588 H ASP 81 H ASP 81 -6.781 10.025 13.017 589 HA ASP 81 HA ASP 81 -6.213 12.595 14.305 590 HB2 ASP 81 1HB ASP 81 -7.400 10.064 15.463 591 HB3 ASP 81 2HB ASP 81 -7.219 11.597 16.313 592 H ARG 82 H ARG 82 -4.330 12.957 15.266 593 HA ARG 82 HA ARG 82 -2.373 10.841 15.447 594 HB2 ARG 82 1HB ARG 82 -2.013 13.342 14.789 595 HB3 ARG 82 2HB ARG 82 -1.956 13.607 16.527 596 HG2 ARG 82 1HG ARG 82 -0.174 11.771 16.559 597 HG3 ARG 82 2HG ARG 82 -0.091 12.010 14.813 598 HD2 ARG 82 1HD ARG 82 1.602 13.345 15.921 599 HD3 ARG 82 2HD ARG 82 0.392 14.390 15.178 600 HE ARG 82 HE ARG 82 -0.227 15.118 17.268 601 HH11 ARG 82 1HH1 ARG 82 1.826 12.322 17.563 602 HH12 ARG 82 2HH1 ARG 82 2.015 12.480 19.278 603 HH21 ARG 82 1HH2 ARG 82 0.014 15.337 19.525 604 HH22 ARG 82 2HH2 ARG 82 0.984 14.195 20.393 605 H GLU 83 H GLU 83 -4.581 12.455 17.554 606 HA GLU 83 HA GLU 83 -3.291 12.013 20.019 607 HB2 GLU 83 1HB GLU 83 -6.224 12.285 19.346 608 HB3 GLU 83 2HB GLU 83 -5.594 12.245 20.986 609 HG2 GLU 83 1HG GLU 83 -4.592 14.253 19.011 610 HG3 GLU 83 2HG GLU 83 -6.093 14.518 19.896 611 H GLU 84 H GLU 84 -4.598 9.833 17.820 612 HA GLU 84 HA GLU 84 -4.859 7.770 19.909 613 HB2 GLU 84 1HB GLU 84 -6.918 8.420 18.479 614 HB3 GLU 84 2HB GLU 84 -6.109 7.547 17.185 615 HG2 GLU 84 1HG GLU 84 -7.531 5.969 18.104 616 HG3 GLU 84 2HG GLU 84 -5.974 5.601 18.846 617 H THR 85 H THR 85 -4.041 8.185 16.464 618 HA THR 85 HA THR 85 -1.881 6.222 16.833 619 HB THR 85 HB THR 85 -3.668 5.060 15.671 620 HG1 THR 85 1HG THR 85 -1.603 4.544 14.942 621 HG21 THR 85 3HG2 THR 85 -3.494 6.922 13.345 622 HG22 THR 85 1HG2 THR 85 -4.533 7.344 14.705 623 HG23 THR 85 2HG2 THR 85 -4.802 5.841 13.823 624 H ALA 86 H ALA 86 -0.309 7.817 16.925 625 HA ALA 86 HA ALA 86 -0.103 9.986 15.134 626 HB1 ALA 86 3HB ALA 86 2.338 9.969 15.913 627 HB2 ALA 86 1HB ALA 86 1.086 10.216 17.131 628 HB3 ALA 86 2HB ALA 86 1.854 8.637 16.963 629 H ILE 87 H ILE 87 0.898 6.657 14.932 630 HA ILE 87 HA ILE 87 1.913 7.180 12.220 631 HB ILE 87 HB ILE 87 3.148 5.277 14.215 632 HG12 ILE 87 1HG1 ILE 87 4.512 7.609 12.897 633 HG13 ILE 87 2HG1 ILE 87 3.572 7.833 14.369 634 HG21 ILE 87 1HG2 ILE 87 3.567 5.708 11.287 635 HG22 ILE 87 2HG2 ILE 87 4.899 5.165 12.305 636 HG23 ILE 87 3HG2 ILE 87 3.429 4.198 12.188 637 HD11 ILE 87 3HD1 ILE 87 5.763 5.798 14.194 638 HD12 ILE 87 1HD1 ILE 87 6.079 7.484 14.604 639 HD13 ILE 87 2HD1 ILE 87 5.025 6.509 15.629 640 H HIS 88 H HIS 88 1.435 5.646 10.678 641 HA HIS 88 HA HIS 88 -0.374 3.484 11.540 642 HB2 HIS 88 1HB HIS 88 -0.514 5.403 9.266 643 HB3 HIS 88 2HB HIS 88 -1.106 3.767 8.991 644 HD1 HIS 88 1HD HIS 88 -3.060 2.974 10.670 645 HD2 HIS 88 2HD HIS 88 -2.260 7.050 10.563 646 HE1 HIS 88 1HE HIS 88 -5.067 4.081 11.705 647 HE2 HIS 88 2HE HIS 88 -4.597 6.550 11.551 648 H LYS 89 H LYS 89 -0.056 1.451 10.748 649 HA LYS 89 HA LYS 89 2.243 1.070 8.945 650 HB2 LYS 89 1HB LYS 89 1.450 -0.655 11.298 651 HB3 LYS 89 2HB LYS 89 2.752 -1.012 10.172 652 HG2 LYS 89 1HG LYS 89 2.751 1.567 11.675 653 HG3 LYS 89 2HG LYS 89 3.284 0.080 12.462 654 HD2 LYS 89 1HD LYS 89 4.915 -0.266 10.648 655 HD3 LYS 89 2HD LYS 89 4.403 1.257 9.917 656 HE2 LYS 89 1HE LYS 89 6.408 1.647 11.176 657 HE3 LYS 89 2HE LYS 89 5.061 2.417 12.012 658 HZ1 LYS 89 3HZ LYS 89 5.547 1.248 13.810 659 HZ2 LYS 89 1HZ LYS 89 6.855 0.528 13.014 660 HZ3 LYS 89 2HZ LYS 89 5.331 -0.204 12.969 661 H VAL 90 H VAL 90 1.336 0.537 7.051 662 HA VAL 90 HA VAL 90 -0.717 -1.580 7.060 663 HB VAL 90 HB VAL 90 -0.344 0.567 4.968 664 HG11 VAL 90 1HG1 VAL 90 -1.470 -1.896 4.661 665 HG12 VAL 90 2HG1 VAL 90 -2.867 -0.914 5.106 666 HG13 VAL 90 3HG1 VAL 90 -1.885 -0.470 3.710 667 HG21 VAL 90 3HG2 VAL 90 -1.827 1.880 6.024 668 HG22 VAL 90 1HG2 VAL 90 -2.828 0.515 6.520 669 HG23 VAL 90 2HG2 VAL 90 -1.395 0.943 7.455 670 H THR 91 H THR 91 -0.022 -3.450 6.287 671 HA THR 91 HA THR 91 2.364 -3.522 4.604 672 HB THR 91 HB THR 91 0.866 -5.850 5.816 673 HG1 THR 91 1HG THR 91 3.297 -4.800 6.807 674 HG21 THR 91 3HG2 THR 91 2.390 -6.277 3.852 675 HG22 THR 91 1HG2 THR 91 2.803 -7.146 5.329 676 HG23 THR 91 2HG2 THR 91 3.722 -5.715 4.861 677 H VAL 92 H VAL 92 2.164 -3.599 2.473 678 HA VAL 92 HA VAL 92 -0.350 -4.549 1.301 679 HB VAL 92 HB VAL 92 1.919 -3.009 0.033 680 HG11 VAL 92 1HG1 VAL 92 -0.137 -2.677 -1.653 681 HG12 VAL 92 2HG1 VAL 92 1.053 -3.969 -1.826 682 HG13 VAL 92 3HG1 VAL 92 -0.504 -4.298 -1.063 683 HG21 VAL 92 3HG2 VAL 92 0.090 -1.223 -0.074 684 HG22 VAL 92 1HG2 VAL 92 -0.754 -2.195 1.132 685 HG23 VAL 92 2HG2 VAL 92 0.838 -1.528 1.494 686 H LEU 93 H LEU 93 -0.471 -6.304 0.008 687 HA LEU 93 HA LEU 93 2.027 -7.792 -0.469 688 HB2 LEU 93 1HB LEU 93 -0.749 -8.935 -0.230 689 HB3 LEU 93 2HB LEU 93 0.764 -9.831 -0.347 690 HG LEU 93 HG LEU 93 0.016 -8.064 1.980 691 HD11 LEU 93 1HD1 LEU 93 -1.278 -10.340 1.397 692 HD12 LEU 93 2HD1 LEU 93 -0.946 -9.805 3.044 693 HD13 LEU 93 3HD1 LEU 93 0.102 -10.998 2.276 694 HD21 LEU 93 3HD2 LEU 93 1.899 -8.963 3.074 695 HD22 LEU 93 1HD2 LEU 93 2.458 -8.515 1.463 696 HD23 LEU 93 2HD2 LEU 93 2.123 -10.205 1.841 697 H ALA 94 H ALA 94 2.555 -8.284 -2.506 698 HA ALA 94 HA ALA 94 0.558 -7.745 -4.607 699 HB1 ALA 94 3HB ALA 94 2.860 -7.629 -5.971 700 HB2 ALA 94 1HB ALA 94 2.138 -6.230 -5.176 701 HB3 ALA 94 2HB ALA 94 3.438 -7.122 -4.384 702 H SER 95 H SER 95 -0.274 -9.613 -5.290 703 HA SER 95 HA SER 95 1.489 -11.950 -5.538 704 HB2 SER 95 1HB SER 95 -0.594 -12.176 -4.167 705 HB3 SER 95 2HB SER 95 -1.536 -11.874 -5.627 706 HG SER 95 HG SER 95 0.376 -13.954 -5.428 707 H ASP 96 H ASP 96 2.207 -12.470 -7.484 708 HA ASP 96 HA ASP 96 0.952 -11.306 -9.844 709 HB2 ASP 96 1HB ASP 96 3.264 -11.022 -9.957 710 HB3 ASP 96 2HB ASP 96 3.592 -12.621 -9.295 711 H GLY 97 H GLY 97 2.134 -14.530 -8.857 712 HA2 GLY 97 1HA GLY 97 -0.029 -16.071 -9.296 713 HA3 GLY 97 2HA GLY 97 0.554 -15.795 -10.931 714 H SER 98 H SER 98 0.371 -18.289 -9.401 715 HA SER 98 HA SER 98 1.629 -20.102 -8.768 716 HB2 SER 98 1HB SER 98 1.782 -20.107 -11.243 717 HB3 SER 98 2HB SER 98 3.268 -19.164 -11.135 718 HG SER 98 HG SER 98 3.171 -21.502 -9.642 719 H SER 99 H SER 99 2.384 -17.568 -7.489 720 HA SER 99 HA SER 99 4.876 -18.448 -6.354 721 HB2 SER 99 1HB SER 99 5.387 -17.019 -8.481 722 HB3 SER 99 2HB SER 99 4.935 -15.656 -7.457 723 HG SER 99 HG SER 99 7.212 -17.139 -7.459 724 H THR 100 H THR 100 5.375 -17.410 -4.383 725 HA THR 100 HA THR 100 3.108 -16.505 -2.932 726 HB THR 100 HB THR 100 4.738 -16.088 -1.081 727 HG1 THR 100 1HG THR 100 6.484 -15.741 -2.830 728 HG21 THR 100 3HG2 THR 100 3.682 -18.341 -1.626 729 HG22 THR 100 1HG2 THR 100 5.138 -18.372 -0.633 730 HG23 THR 100 2HG2 THR 100 5.231 -18.774 -2.348 731 HA PRO 101 HA PRO 101 3.255 -12.172 -3.708 732 HB2 PRO 101 1HB PRO 101 1.936 -11.303 -1.499 733 HB3 PRO 101 2HB PRO 101 1.124 -12.101 -2.851 734 HG2 PRO 101 1HG PRO 101 2.000 -13.244 -0.227 735 HG3 PRO 101 2HG PRO 101 0.484 -13.502 -1.110 736 HD2 PRO 101 1HD PRO 101 2.518 -15.290 -1.152 737 HD3 PRO 101 2HD PRO 101 1.431 -15.047 -2.535 738 H ALA 102 H ALA 102 4.202 -10.223 -2.949 739 HA ALA 102 HA ALA 102 6.470 -10.665 -1.189 740 HB1 ALA 102 3HB ALA 102 6.152 -7.958 -2.192 741 HB2 ALA 102 1HB ALA 102 7.493 -9.088 -2.386 742 HB3 ALA 102 2HB ALA 102 6.108 -9.167 -3.476 743 H ARG 103 H ARG 103 7.035 -8.715 0.275 744 HA ARG 103 HA ARG 103 4.609 -7.874 1.720 745 HB2 ARG 103 1HB ARG 103 7.249 -8.823 2.835 746 HB3 ARG 103 2HB ARG 103 6.042 -7.984 3.801 747 HG2 ARG 103 1HG ARG 103 4.468 -9.877 2.876 748 HG3 ARG 103 2HG ARG 103 5.999 -10.732 2.674 749 HD2 ARG 103 1HD ARG 103 5.449 -9.371 5.265 750 HD3 ARG 103 2HD ARG 103 4.623 -10.889 4.917 751 HE ARG 103 HE ARG 103 7.357 -10.561 5.631 752 HH11 ARG 103 1HH1 ARG 103 5.194 -12.498 3.710 753 HH12 ARG 103 2HH1 ARG 103 6.207 -13.903 3.751 754 HH21 ARG 103 1HH2 ARG 103 8.699 -12.404 5.691 755 HH22 ARG 103 2HH2 ARG 103 8.200 -13.848 4.879 756 H ALA 104 H ALA 104 4.366 -5.748 1.673 757 HA ALA 104 HA ALA 104 6.779 -4.053 1.622 758 HB1 ALA 104 3HB ALA 104 5.635 -2.467 0.255 759 HB2 ALA 104 1HB ALA 104 5.453 -4.053 -0.496 760 HB3 ALA 104 2HB ALA 104 4.114 -3.346 0.410 761 H THR 105 H THR 105 7.033 -2.827 3.360 762 HA THR 105 HA THR 105 4.735 -2.361 5.120 763 HB THR 105 HB THR 105 7.687 -2.006 5.676 764 HG1 THR 105 1HG THR 105 6.613 -4.220 5.442 765 HG21 THR 105 3HG2 THR 105 6.933 -0.688 7.333 766 HG22 THR 105 1HG2 THR 105 6.407 -2.191 8.090 767 HG23 THR 105 2HG2 THR 105 5.268 -1.238 7.139 768 H VAL 106 H VAL 106 3.720 -0.485 4.915 769 HA VAL 106 HA VAL 106 5.202 1.845 3.915 770 HB VAL 106 HB VAL 106 2.231 1.329 4.083 771 HG11 VAL 106 1HG1 VAL 106 3.587 3.727 2.869 772 HG12 VAL 106 2HG1 VAL 106 1.858 3.461 3.100 773 HG13 VAL 106 3HG1 VAL 106 2.907 3.715 4.496 774 HG21 VAL 106 3HG2 VAL 106 3.283 0.095 2.298 775 HG22 VAL 106 1HG2 VAL 106 2.374 1.443 1.612 776 HG23 VAL 106 2HG2 VAL 106 4.130 1.542 1.749 777 H THR 107 H THR 107 5.902 3.249 5.369 778 HA THR 107 HA THR 107 4.589 3.394 7.984 779 HB THR 107 HB THR 107 7.230 4.580 7.106 780 HG1 THR 107 1HG THR 107 6.905 2.401 8.879 781 HG21 THR 107 3HG2 THR 107 6.876 5.843 8.944 782 HG22 THR 107 1HG2 THR 107 7.335 4.378 9.810 783 HG23 THR 107 2HG2 THR 107 5.630 4.764 9.571 784 H ILE 108 H ILE 108 2.949 4.806 7.995 785 HA ILE 108 HA ILE 108 3.257 7.358 6.578 786 HB ILE 108 HB ILE 108 0.747 6.206 7.796 787 HG12 ILE 108 1HG1 ILE 108 1.545 6.237 4.881 788 HG13 ILE 108 2HG1 ILE 108 1.724 4.832 5.926 789 HG21 ILE 108 1HG2 ILE 108 1.081 8.419 5.779 790 HG22 ILE 108 2HG2 ILE 108 -0.418 7.887 6.538 791 HG23 ILE 108 3HG2 ILE 108 0.830 8.671 7.507 792 HD11 ILE 108 3HD1 ILE 108 -0.922 6.179 5.539 793 HD12 ILE 108 1HD1 ILE 108 -0.328 4.944 4.429 794 HD13 ILE 108 2HD1 ILE 108 -0.584 4.552 6.130 795 H ASN 109 H ASN 109 4.174 8.859 7.829 796 HA ASN 109 HA ASN 109 3.646 8.926 10.688 797 HB2 ASN 109 1HB ASN 109 5.553 10.383 8.873 798 HB3 ASN 109 2HB ASN 109 5.280 10.926 10.526 799 HD21 ASN 109 1HD2 ASN 109 7.160 9.030 8.596 800 HD22 ASN 109 2HD2 ASN 109 7.829 7.981 9.795 801 H VAL 110 H VAL 110 2.383 10.372 11.709 802 HA VAL 110 HA VAL 110 0.845 12.221 10.041 803 HB VAL 110 HB VAL 110 0.392 11.225 12.854 804 HG11 VAL 110 1HG1 VAL 110 -1.138 13.256 11.241 805 HG12 VAL 110 2HG1 VAL 110 -1.801 12.433 12.654 806 HG13 VAL 110 3HG1 VAL 110 -0.386 13.473 12.821 807 HG21 VAL 110 3HG2 VAL 110 -0.067 9.703 10.886 808 HG22 VAL 110 1HG2 VAL 110 -1.429 10.003 11.966 809 HG23 VAL 110 2HG2 VAL 110 -1.331 10.840 10.417 810 H THR 111 H THR 111 1.868 14.120 9.817 811 HA THR 111 HA THR 111 3.256 15.305 12.096 812 HB THR 111 HB THR 111 4.233 16.855 10.574 813 HG1 THR 111 1HG THR 111 3.499 17.075 8.449 814 HG21 THR 111 3HG2 THR 111 4.291 14.625 8.676 815 HG22 THR 111 1HG2 THR 111 4.608 14.154 10.344 816 HG23 THR 111 2HG2 THR 111 5.607 15.385 9.571 817 H ASP 112 H ASP 112 2.915 17.586 12.610 818 HA ASP 112 HA ASP 112 0.189 18.166 13.062 819 HB2 ASP 112 1HB ASP 112 1.135 20.465 13.724 820 HB3 ASP 112 2HB ASP 112 1.684 19.063 14.638 821 H VAL 113 H VAL 113 -0.789 20.333 12.443 822 HA VAL 113 HA VAL 113 -0.217 20.918 9.611 823 HB VAL 113 HB VAL 113 -2.674 21.462 9.406 824 HG11 VAL 113 1HG1 VAL 113 -1.339 19.144 8.986 825 HG12 VAL 113 2HG1 VAL 113 -2.623 18.598 10.066 826 HG13 VAL 113 3HG1 VAL 113 -3.027 19.410 8.553 827 HG21 VAL 113 3HG2 VAL 113 -3.631 19.711 11.422 828 HG22 VAL 113 1HG2 VAL 113 -2.592 20.910 12.192 829 HG23 VAL 113 2HG2 VAL 113 -3.964 21.430 11.214 830 H ASN 114 H ASN 114 -1.215 22.147 12.740 831 HA ASN 114 HA ASN 114 -1.038 24.897 11.716 832 HB2 ASN 114 1HB ASN 114 -3.112 24.064 12.986 833 HB3 ASN 114 2HB ASN 114 -2.096 24.106 14.424 834 HD21 ASN 114 1HD2 ASN 114 -2.191 25.898 15.550 835 HD22 ASN 114 2HD2 ASN 114 -2.606 27.464 14.947 Start of MODEL 16 1 H1 GLY 1 H GLY 1 8.938 -15.367 -36.265 2 HA2 GLY 1 1HA GLY 1 11.512 -14.353 -35.222 3 HA3 GLY 1 2HA GLY 1 10.026 -13.417 -35.146 4 H SER 2 H SER 2 11.897 -15.941 -33.719 5 HA SER 2 HA SER 2 9.804 -16.655 -31.828 6 HB2 SER 2 1HB SER 2 11.402 -18.350 -32.824 7 HB3 SER 2 2HB SER 2 12.672 -17.613 -31.846 8 HG SER 2 HG SER 2 11.304 -19.516 -31.022 9 H SER 3 H SER 3 9.557 -14.668 -30.737 10 HA SER 3 HA SER 3 11.839 -13.878 -29.051 11 HB2 SER 3 1HB SER 3 10.775 -11.680 -28.861 12 HB3 SER 3 2HB SER 3 11.010 -12.104 -30.557 13 HG SER 3 HG SER 3 8.765 -12.870 -30.464 14 H GLY 4 H GLY 4 11.061 -12.818 -26.924 15 HA2 GLY 4 1HA GLY 4 8.933 -13.000 -25.455 16 HA3 GLY 4 2HA GLY 4 9.198 -14.723 -25.681 17 H SER 5 H SER 5 10.763 -11.772 -24.487 18 HA SER 5 HA SER 5 12.974 -12.785 -23.252 19 HB2 SER 5 1HB SER 5 12.898 -10.896 -21.745 20 HB3 SER 5 2HB SER 5 12.312 -10.372 -23.323 21 HG SER 5 HG SER 5 10.947 -9.624 -21.676 22 H SER 6 H SER 6 13.344 -13.083 -20.860 23 HA SER 6 HA SER 6 11.246 -13.977 -19.181 24 HB2 SER 6 1HB SER 6 11.981 -16.406 -19.119 25 HB3 SER 6 2HB SER 6 11.103 -15.916 -20.568 26 HG SER 6 HG SER 6 13.882 -15.698 -20.604 27 H GLY 7 H GLY 7 11.918 -13.940 -17.113 28 HA2 GLY 7 1HA GLY 7 14.779 -13.503 -16.652 29 HA3 GLY 7 2HA GLY 7 13.479 -13.100 -15.540 30 H ASN 8 H ASN 8 15.262 -14.208 -14.173 31 HA ASN 8 HA ASN 8 15.137 -17.113 -14.272 32 HB2 ASN 8 1HB ASN 8 17.242 -15.689 -13.764 33 HB3 ASN 8 2HB ASN 8 16.554 -15.518 -12.152 34 HD21 ASN 8 1HD2 ASN 8 16.540 -17.245 -10.774 35 HD22 ASN 8 2HD2 ASN 8 17.369 -18.725 -11.104 36 H ASP 9 H ASP 9 14.426 -14.534 -11.922 37 HA ASP 9 HA ASP 9 12.731 -16.433 -10.450 38 HB2 ASP 9 1HB ASP 9 12.828 -14.513 -8.692 39 HB3 ASP 9 2HB ASP 9 14.229 -15.560 -8.899 40 H ASN 10 H ASN 10 10.596 -16.239 -10.558 41 HA ASN 10 HA ASN 10 9.476 -13.798 -11.746 42 HB2 ASN 10 1HB ASN 10 8.503 -16.643 -11.599 43 HB3 ASN 10 2HB ASN 10 7.401 -15.322 -11.977 44 HD21 ASN 10 1HD2 ASN 10 7.620 -14.218 -13.917 45 HD22 ASN 10 2HD2 ASN 10 8.555 -14.842 -15.229 46 H ARG 11 H ARG 11 9.382 -12.499 -9.913 47 HA ARG 11 HA ARG 11 7.213 -13.173 -8.075 48 HB2 ARG 11 1HB ARG 11 10.021 -12.450 -7.250 49 HB3 ARG 11 2HB ARG 11 8.643 -12.246 -6.176 50 HG2 ARG 11 1HG ARG 11 9.352 -14.304 -5.518 51 HG3 ARG 11 2HG ARG 11 8.222 -14.772 -6.790 52 HD2 ARG 11 1HD ARG 11 10.336 -14.582 -8.320 53 HD3 ARG 11 2HD ARG 11 11.207 -14.777 -6.800 54 HE ARG 11 HE ARG 11 9.663 -16.781 -8.195 55 HH11 ARG 11 1HH1 ARG 11 11.116 -15.810 -5.184 56 HH12 ARG 11 2HH1 ARG 11 11.193 -17.421 -4.551 57 HH21 ARG 11 1HH2 ARG 11 9.760 -18.907 -7.373 58 HH22 ARG 11 2HH2 ARG 11 10.422 -19.182 -5.798 59 HA PRO 12 HA PRO 12 6.085 -8.985 -8.829 60 HB2 PRO 12 1HB PRO 12 4.473 -8.583 -6.682 61 HB3 PRO 12 2HB PRO 12 3.997 -9.570 -8.069 62 HG2 PRO 12 1HG PRO 12 5.063 -10.431 -5.408 63 HG3 PRO 12 2HG PRO 12 3.735 -11.122 -6.357 64 HD2 PRO 12 1HD PRO 12 6.212 -12.214 -6.309 65 HD3 PRO 12 2HD PRO 12 5.162 -12.291 -7.738 66 H VAL 13 H VAL 13 8.244 -8.144 -8.469 67 HA VAL 13 HA VAL 13 9.135 -7.427 -5.853 68 HB VAL 13 HB VAL 13 10.880 -6.130 -7.015 69 HG11 VAL 13 1HG1 VAL 13 11.687 -8.235 -6.783 70 HG12 VAL 13 2HG1 VAL 13 10.311 -8.972 -7.606 71 HG13 VAL 13 3HG1 VAL 13 11.593 -8.204 -8.543 72 HG21 VAL 13 3HG2 VAL 13 10.401 -5.257 -9.006 73 HG22 VAL 13 1HG2 VAL 13 10.579 -6.876 -9.682 74 HG23 VAL 13 2HG2 VAL 13 8.988 -6.296 -9.190 75 H PHE 14 H PHE 14 9.019 -5.504 -4.787 76 HA PHE 14 HA PHE 14 7.071 -3.582 -5.812 77 HB2 PHE 14 1HB PHE 14 8.166 -4.214 -3.094 78 HB3 PHE 14 2HB PHE 14 7.424 -2.645 -3.391 79 HD1 PHE 14 1HD PHE 14 5.066 -2.747 -4.555 80 HD2 PHE 14 2HD PHE 14 6.838 -5.940 -2.369 81 HE1 PHE 14 1HE PHE 14 2.840 -3.729 -4.193 82 HE2 PHE 14 2HE PHE 14 4.615 -6.928 -2.004 83 HZ PHE 14 HZ PHE 14 2.612 -5.823 -2.916 84 H LYS 15 H LYS 15 7.477 -1.343 -5.872 85 HA LYS 15 HA LYS 15 9.724 -0.444 -7.067 86 HB2 LYS 15 1HB LYS 15 7.570 0.831 -6.545 87 HB3 LYS 15 2HB LYS 15 8.315 1.247 -5.007 88 HG2 LYS 15 1HG LYS 15 8.738 3.078 -6.389 89 HG3 LYS 15 2HG LYS 15 10.251 2.169 -6.383 90 HD2 LYS 15 1HD LYS 15 9.912 2.718 -8.634 91 HD3 LYS 15 2HD LYS 15 9.366 1.044 -8.507 92 HE2 LYS 15 1HE LYS 15 7.036 1.997 -8.151 93 HE3 LYS 15 2HE LYS 15 7.702 3.543 -8.673 94 HZ1 LYS 15 3HZ LYS 15 7.168 2.836 -10.707 95 HZ2 LYS 15 1HZ LYS 15 7.018 1.220 -10.229 96 HZ3 LYS 15 2HZ LYS 15 8.541 1.854 -10.601 97 H GLU 16 H GLU 16 9.173 -0.171 -3.550 98 HA GLU 16 HA GLU 16 12.041 -0.531 -3.122 99 HB2 GLU 16 1HB GLU 16 10.481 1.771 -1.935 100 HB3 GLU 16 2HB GLU 16 12.160 1.380 -1.596 101 HG2 GLU 16 1HG GLU 16 11.378 1.849 -4.419 102 HG3 GLU 16 2HG GLU 16 11.485 3.236 -3.338 103 H GLY 17 H GLY 17 12.508 -0.714 -0.700 104 HA2 GLY 17 1HA GLY 17 10.740 -2.711 0.366 105 HA3 GLY 17 2HA GLY 17 12.222 -2.126 1.107 106 H GLN 18 H GLN 18 12.085 0.091 2.086 107 HA GLN 18 HA GLN 18 9.427 0.497 3.292 108 HB2 GLN 18 1HB GLN 18 12.149 0.427 4.507 109 HB3 GLN 18 2HB GLN 18 10.962 1.529 5.193 110 HG2 GLN 18 1HG GLN 18 10.710 -0.374 6.474 111 HG3 GLN 18 2HG GLN 18 9.421 -0.527 5.281 112 HE21 GLN 18 1HE2 GLN 18 11.046 -2.484 6.907 113 HE22 GLN 18 2HE2 GLN 18 11.604 -3.637 5.748 114 H VAL 19 H VAL 19 8.544 2.431 2.989 115 HA VAL 19 HA VAL 19 10.305 4.700 2.337 116 HB VAL 19 HB VAL 19 7.611 4.178 1.074 117 HG11 VAL 19 1HG1 VAL 19 9.121 6.021 -0.408 118 HG12 VAL 19 2HG1 VAL 19 7.670 6.336 0.546 119 HG13 VAL 19 3HG1 VAL 19 9.265 6.514 1.278 120 HG21 VAL 19 3HG2 VAL 19 9.743 2.732 0.465 121 HG22 VAL 19 1HG2 VAL 19 8.620 3.295 -0.773 122 HG23 VAL 19 2HG2 VAL 19 10.134 4.158 -0.497 123 H GLU 20 H GLU 20 10.156 6.138 3.921 124 HA GLU 20 HA GLU 20 7.774 6.294 5.568 125 HB2 GLU 20 1HB GLU 20 10.161 6.404 6.450 126 HB3 GLU 20 2HB GLU 20 10.234 8.024 5.773 127 HG2 GLU 20 1HG GLU 20 8.016 8.323 7.176 128 HG3 GLU 20 2HG GLU 20 8.725 7.009 8.114 129 H VAL 21 H VAL 21 6.255 7.840 5.490 130 HA VAL 21 HA VAL 21 6.727 10.162 3.737 131 HB VAL 21 HB VAL 21 4.313 10.062 3.109 132 HG11 VAL 21 1HG1 VAL 21 6.479 8.521 2.145 133 HG12 VAL 21 2HG1 VAL 21 5.028 7.523 2.031 134 HG13 VAL 21 3HG1 VAL 21 5.073 9.106 1.256 135 HG21 VAL 21 3HG2 VAL 21 4.296 7.221 4.054 136 HG22 VAL 21 1HG2 VAL 21 3.818 8.529 5.135 137 HG23 VAL 21 2HG2 VAL 21 2.939 8.265 3.629 138 H HIS 22 H HIS 22 5.515 12.064 4.254 139 HA HIS 22 HA HIS 22 4.574 12.129 7.046 140 HB2 HIS 22 1HB HIS 22 5.590 14.205 7.394 141 HB3 HIS 22 2HB HIS 22 6.786 13.332 6.440 142 HD1 HIS 22 1HD HIS 22 6.982 14.027 3.895 143 HD2 HIS 22 2HD HIS 22 4.608 16.504 6.239 144 HE1 HIS 22 1HE HIS 22 6.680 16.134 2.556 145 HE2 HIS 22 2HE HIS 22 5.311 17.650 4.030 146 H ILE 23 H ILE 23 2.458 12.443 7.149 147 HA ILE 23 HA ILE 23 1.223 14.361 5.296 148 HB ILE 23 HB ILE 23 0.696 12.107 4.487 149 HG12 ILE 23 1HG1 ILE 23 -1.526 13.736 5.703 150 HG13 ILE 23 2HG1 ILE 23 -0.992 13.693 4.026 151 HG21 ILE 23 1HG2 ILE 23 0.810 11.225 6.960 152 HG22 ILE 23 2HG2 ILE 23 -0.924 11.537 6.917 153 HG23 ILE 23 3HG2 ILE 23 -0.201 10.424 5.757 154 HD11 ILE 23 3HD1 ILE 23 -2.840 11.926 5.475 155 HD12 ILE 23 1HD1 ILE 23 -2.822 12.417 3.781 156 HD13 ILE 23 2HD1 ILE 23 -1.745 11.136 4.340 157 HA PRO 24 HA PRO 24 -0.393 16.091 9.022 158 HB2 PRO 24 1HB PRO 24 -2.308 17.660 7.908 159 HB3 PRO 24 2HB PRO 24 -0.585 18.050 7.838 160 HG2 PRO 24 1HG PRO 24 -2.326 16.778 5.761 161 HG3 PRO 24 2HG PRO 24 -1.091 18.036 5.568 162 HD2 PRO 24 1HD PRO 24 -0.624 15.434 4.983 163 HD3 PRO 24 2HD PRO 24 0.642 16.516 5.598 164 H GLU 25 H GLU 25 -2.160 15.897 10.398 165 HA GLU 25 HA GLU 25 -3.804 13.634 10.051 166 HB2 GLU 25 1HB GLU 25 -4.976 14.463 12.097 167 HB3 GLU 25 2HB GLU 25 -3.231 14.338 12.269 168 HG2 GLU 25 1HG GLU 25 -3.325 16.870 11.542 169 HG3 GLU 25 2HG GLU 25 -4.963 16.745 12.182 170 H ASN 26 H ASN 26 -4.391 17.087 9.626 171 HA ASN 26 HA ASN 26 -7.177 16.657 8.956 172 HB2 ASN 26 1HB ASN 26 -6.143 18.711 10.172 173 HB3 ASN 26 2HB ASN 26 -5.711 19.248 8.551 174 HD21 ASN 26 1HD2 ASN 26 -7.056 20.907 8.248 175 HD22 ASN 26 2HD2 ASN 26 -8.780 20.810 8.321 176 H ALA 27 H ALA 27 -4.858 15.585 7.320 177 HA ALA 27 HA ALA 27 -4.525 16.868 4.908 178 HB1 ALA 27 3HB ALA 27 -4.164 14.601 3.940 179 HB2 ALA 27 1HB ALA 27 -3.259 14.904 5.423 180 HB3 ALA 27 2HB ALA 27 -4.718 13.914 5.467 181 HA PRO 28 HA PRO 28 -8.479 16.916 2.968 182 HB2 PRO 28 1HB PRO 28 -7.679 17.164 0.386 183 HB3 PRO 28 2HB PRO 28 -7.594 18.492 1.550 184 HG2 PRO 28 1HG PRO 28 -5.430 16.639 0.629 185 HG3 PRO 28 2HG PRO 28 -5.368 18.393 0.885 186 HD2 PRO 28 1HD PRO 28 -4.400 16.621 2.690 187 HD3 PRO 28 2HD PRO 28 -5.111 18.177 3.166 188 H VAL 29 H VAL 29 -9.876 15.401 2.292 189 HA VAL 29 HA VAL 29 -9.125 12.724 1.950 190 HB VAL 29 HB VAL 29 -11.683 14.118 1.155 191 HG11 VAL 29 1HG1 VAL 29 -11.223 11.959 -0.061 192 HG12 VAL 29 2HG1 VAL 29 -11.282 11.156 1.510 193 HG13 VAL 29 3HG1 VAL 29 -12.706 11.996 0.893 194 HG21 VAL 29 3HG2 VAL 29 -12.569 13.314 3.224 195 HG22 VAL 29 1HG2 VAL 29 -11.113 12.370 3.542 196 HG23 VAL 29 2HG2 VAL 29 -11.046 14.132 3.576 197 H GLY 30 H GLY 30 -8.254 11.701 0.277 198 HA2 GLY 30 1HA GLY 30 -8.453 11.066 -2.067 199 HA3 GLY 30 2HA GLY 30 -8.773 12.755 -2.432 200 H THR 31 H THR 31 -6.341 12.233 -0.101 201 HA THR 31 HA THR 31 -4.323 13.148 -1.991 202 HB THR 31 HB THR 31 -3.982 12.696 0.975 203 HG1 THR 31 1HG THR 31 -5.656 14.337 0.029 204 HG21 THR 31 3HG2 THR 31 -2.100 13.196 -0.944 205 HG22 THR 31 1HG2 THR 31 -1.936 13.606 0.763 206 HG23 THR 31 2HG2 THR 31 -2.494 14.822 -0.386 207 H SER 32 H SER 32 -3.234 11.667 -3.100 208 HA SER 32 HA SER 32 -3.075 8.938 -2.391 209 HB2 SER 32 1HB SER 32 -1.457 10.559 -4.370 210 HB3 SER 32 2HB SER 32 -1.398 8.801 -4.243 211 HG SER 32 HG SER 32 -3.223 8.682 -5.277 212 H VAL 33 H VAL 33 -2.040 8.267 -0.625 213 HA VAL 33 HA VAL 33 0.265 9.625 0.424 214 HB VAL 33 HB VAL 33 -0.920 6.972 1.252 215 HG11 VAL 33 1HG1 VAL 33 0.416 8.472 3.317 216 HG12 VAL 33 2HG1 VAL 33 0.694 6.816 2.775 217 HG13 VAL 33 3HG1 VAL 33 1.505 8.158 1.966 218 HG21 VAL 33 3HG2 VAL 33 -2.657 8.273 1.851 219 HG22 VAL 33 1HG2 VAL 33 -1.610 8.731 3.194 220 HG23 VAL 33 2HG2 VAL 33 -1.709 9.758 1.763 221 H ILE 34 H ILE 34 -0.249 6.270 -0.685 222 HA ILE 34 HA ILE 34 2.431 6.301 -1.862 223 HB ILE 34 HB ILE 34 2.639 5.325 0.413 224 HG12 ILE 34 1HG1 ILE 34 3.598 3.063 -0.458 225 HG13 ILE 34 2HG1 ILE 34 3.151 3.677 -2.045 226 HG21 ILE 34 1HG2 ILE 34 0.942 3.068 -0.629 227 HG22 ILE 34 2HG2 ILE 34 1.600 3.265 0.994 228 HG23 ILE 34 3HG2 ILE 34 0.330 4.346 0.420 229 HD11 ILE 34 3HD1 ILE 34 4.809 5.199 -2.070 230 HD12 ILE 34 1HD1 ILE 34 4.709 5.501 -0.335 231 HD13 ILE 34 2HD1 ILE 34 5.546 4.069 -0.934 232 H GLN 35 H GLN 35 2.684 4.981 -3.638 233 HA GLN 35 HA GLN 35 0.298 3.488 -4.504 234 HB2 GLN 35 1HB GLN 35 0.708 5.681 -5.716 235 HB3 GLN 35 2HB GLN 35 2.167 4.947 -6.367 236 HG2 GLN 35 1HG GLN 35 0.903 3.281 -7.515 237 HG3 GLN 35 2HG GLN 35 -0.586 3.791 -6.720 238 HE21 GLN 35 1HE2 GLN 35 -1.525 4.070 -8.784 239 HE22 GLN 35 2HE2 GLN 35 -1.176 5.467 -9.739 240 H LEU 36 H LEU 36 0.932 1.434 -4.109 241 HA LEU 36 HA LEU 36 3.587 0.492 -4.521 242 HB2 LEU 36 1HB LEU 36 0.956 -0.827 -3.962 243 HB3 LEU 36 2HB LEU 36 2.389 -1.786 -4.329 244 HG LEU 36 HG LEU 36 1.876 -1.543 -1.895 245 HD11 LEU 36 1HD1 LEU 36 4.322 -1.434 -3.242 246 HD12 LEU 36 2HD1 LEU 36 4.035 -1.935 -1.576 247 HD13 LEU 36 3HD1 LEU 36 4.446 -0.258 -1.933 248 HD21 LEU 36 3HD2 LEU 36 1.062 0.705 -1.811 249 HD22 LEU 36 1HD2 LEU 36 2.574 1.333 -2.467 250 HD23 LEU 36 2HD2 LEU 36 2.540 0.624 -0.852 251 H HIS 37 H HIS 37 4.483 0.259 -6.454 252 HA HIS 37 HA HIS 37 2.793 -0.633 -8.695 253 HB2 HIS 37 1HB HIS 37 4.130 1.640 -8.695 254 HB3 HIS 37 2HB HIS 37 5.485 0.599 -9.122 255 HD1 HIS 37 1HD HIS 37 4.565 2.656 -11.143 256 HD2 HIS 37 2HD HIS 37 3.072 -1.218 -11.002 257 HE1 HIS 37 1HE HIS 37 3.668 2.198 -13.447 258 HE2 HIS 37 2HE HIS 37 2.693 -0.121 -13.314 259 H ALA 38 H ALA 38 2.980 -2.780 -8.872 260 HA ALA 38 HA ALA 38 5.680 -3.954 -8.728 261 HB1 ALA 38 3HB ALA 38 4.889 -5.592 -7.447 262 HB2 ALA 38 1HB ALA 38 3.406 -4.649 -7.294 263 HB3 ALA 38 2HB ALA 38 3.539 -5.888 -8.543 264 H THR 39 H THR 39 6.326 -3.889 -10.828 265 HA THR 39 HA THR 39 4.672 -5.386 -12.752 266 HB THR 39 HB THR 39 5.551 -3.917 -14.553 267 HG1 THR 39 1HG THR 39 7.377 -3.044 -13.610 268 HG21 THR 39 3HG2 THR 39 4.102 -2.392 -12.387 269 HG22 THR 39 1HG2 THR 39 3.337 -3.518 -13.506 270 HG23 THR 39 2HG2 THR 39 4.086 -2.043 -14.115 271 H ASP 40 H ASP 40 5.692 -6.919 -13.921 272 HA ASP 40 HA ASP 40 8.473 -7.470 -13.260 273 HB2 ASP 40 1HB ASP 40 7.292 -9.449 -13.115 274 HB3 ASP 40 2HB ASP 40 6.225 -9.033 -14.454 275 H ALA 41 H ALA 41 6.494 -7.178 -16.209 276 HA ALA 41 HA ALA 41 8.913 -6.270 -17.624 277 HB1 ALA 41 3HB ALA 41 7.525 -7.407 -19.636 278 HB2 ALA 41 1HB ALA 41 8.779 -8.237 -18.714 279 HB3 ALA 41 2HB ALA 41 7.080 -8.472 -18.303 280 H ASP 42 H ASP 42 7.208 -4.479 -16.459 281 HA ASP 42 HA ASP 42 5.674 -2.800 -16.829 282 HB2 ASP 42 1HB ASP 42 7.931 -2.310 -18.103 283 HB3 ASP 42 2HB ASP 42 6.914 -2.477 -19.532 284 H ILE 43 H ILE 43 4.588 -5.317 -17.532 285 HA ILE 43 HA ILE 43 3.071 -4.752 -19.982 286 HB ILE 43 HB ILE 43 2.251 -7.174 -19.570 287 HG12 ILE 43 1HG1 ILE 43 4.873 -7.545 -18.191 288 HG13 ILE 43 2HG1 ILE 43 3.498 -7.010 -17.231 289 HG21 ILE 43 1HG2 ILE 43 5.157 -6.944 -20.272 290 HG22 ILE 43 2HG2 ILE 43 3.925 -7.991 -20.974 291 HG23 ILE 43 3HG2 ILE 43 3.904 -6.260 -21.307 292 HD11 ILE 43 3HD1 ILE 43 3.669 -9.524 -18.874 293 HD12 ILE 43 1HD1 ILE 43 3.707 -9.403 -17.115 294 HD13 ILE 43 2HD1 ILE 43 2.239 -8.980 -17.996 295 H GLY 44 H GLY 44 1.397 -3.454 -19.439 296 HA2 GLY 44 1HA GLY 44 -0.089 -3.883 -16.987 297 HA3 GLY 44 2HA GLY 44 -0.382 -2.627 -18.181 298 H SER 45 H SER 45 -0.663 -4.233 -20.465 299 HA SER 45 HA SER 45 -3.275 -4.699 -20.721 300 HB2 SER 45 1HB SER 45 -2.728 -6.535 -22.358 301 HB3 SER 45 2HB SER 45 -1.822 -5.042 -22.604 302 HG SER 45 HG SER 45 -0.793 -7.379 -22.392 303 H ASN 46 H ASN 46 -1.055 -7.311 -19.724 304 HA ASN 46 HA ASN 46 -3.315 -8.541 -18.288 305 HB2 ASN 46 1HB ASN 46 -2.022 -10.729 -18.705 306 HB3 ASN 46 2HB ASN 46 -2.893 -10.023 -20.063 307 HD21 ASN 46 1HD2 ASN 46 -1.507 -11.226 -21.441 308 HD22 ASN 46 2HD2 ASN 46 0.092 -10.667 -21.784 309 H ALA 47 H ALA 47 -2.177 -10.401 -16.797 310 HA ALA 47 HA ALA 47 -0.931 -10.846 -14.939 311 HB1 ALA 47 3HB ALA 47 0.965 -10.194 -16.502 312 HB2 ALA 47 1HB ALA 47 0.929 -8.617 -15.712 313 HB3 ALA 47 2HB ALA 47 1.281 -10.068 -14.772 314 H GLU 48 H GLU 48 -3.065 -8.786 -15.060 315 HA GLU 48 HA GLU 48 -2.490 -6.572 -13.460 316 HB2 GLU 48 1HB GLU 48 -5.032 -8.123 -13.916 317 HB3 GLU 48 2HB GLU 48 -4.983 -6.697 -12.889 318 HG2 GLU 48 1HG GLU 48 -4.063 -6.680 -15.747 319 HG3 GLU 48 2HG GLU 48 -5.724 -6.338 -15.267 320 H ILE 49 H ILE 49 -1.091 -7.323 -11.804 321 HA ILE 49 HA ILE 49 -1.710 -9.331 -9.952 322 HB ILE 49 HB ILE 49 -0.056 -6.859 -9.430 323 HG12 ILE 49 1HG1 ILE 49 0.861 -9.547 -10.469 324 HG13 ILE 49 2HG1 ILE 49 0.610 -8.132 -11.486 325 HG21 ILE 49 1HG2 ILE 49 0.126 -9.592 -8.175 326 HG22 ILE 49 2HG2 ILE 49 1.029 -8.146 -7.726 327 HG23 ILE 49 3HG2 ILE 49 -0.711 -8.220 -7.450 328 HD11 ILE 49 3HD1 ILE 49 2.285 -6.962 -9.962 329 HD12 ILE 49 1HD1 ILE 49 2.686 -8.576 -9.375 330 HD13 ILE 49 2HD1 ILE 49 2.903 -8.179 -11.080 331 H ARG 50 H ARG 50 -2.770 -9.355 -8.021 332 HA ARG 50 HA ARG 50 -4.493 -7.050 -7.474 333 HB2 ARG 50 1HB ARG 50 -5.238 -9.580 -7.730 334 HB3 ARG 50 2HB ARG 50 -4.785 -9.645 -6.032 335 HG2 ARG 50 1HG ARG 50 -6.978 -9.109 -5.811 336 HG3 ARG 50 2HG ARG 50 -6.300 -7.483 -5.916 337 HD2 ARG 50 1HD ARG 50 -6.888 -7.301 -8.215 338 HD3 ARG 50 2HD ARG 50 -7.309 -9.011 -8.305 339 HE ARG 50 HE ARG 50 -8.873 -7.544 -6.395 340 HH11 ARG 50 1HH1 ARG 50 -8.568 -8.457 -9.741 341 HH12 ARG 50 2HH1 ARG 50 -10.256 -8.263 -10.083 342 HH21 ARG 50 1HH2 ARG 50 -11.097 -7.286 -6.833 343 HH22 ARG 50 2HH2 ARG 50 -11.693 -7.596 -8.428 344 H TYR 51 H TYR 51 -4.521 -5.997 -5.529 345 HA TYR 51 HA TYR 51 -2.387 -6.727 -3.631 346 HB2 TYR 51 1HB TYR 51 -3.497 -3.953 -4.076 347 HB3 TYR 51 2HB TYR 51 -2.079 -4.399 -3.134 348 HD1 TYR 51 1HD TYR 51 -3.421 -4.455 -6.609 349 HD2 TYR 51 2HD TYR 51 0.031 -4.369 -4.123 350 HE1 TYR 51 1HE TYR 51 -2.007 -4.122 -8.594 351 HE2 TYR 51 2HE TYR 51 1.454 -4.036 -6.100 352 HH TYR 51 HH TYR 51 1.527 -3.959 -8.325 353 H ILE 52 H ILE 52 -2.952 -7.126 -1.588 354 HA ILE 52 HA ILE 52 -5.594 -6.229 -0.655 355 HB ILE 52 HB ILE 52 -5.854 -8.365 0.567 356 HG12 ILE 52 1HG1 ILE 52 -3.706 -9.539 -1.169 357 HG13 ILE 52 2HG1 ILE 52 -3.284 -8.799 0.372 358 HG21 ILE 52 1HG2 ILE 52 -5.574 -9.370 -2.161 359 HG22 ILE 52 2HG2 ILE 52 -7.010 -9.210 -1.152 360 HG23 ILE 52 3HG2 ILE 52 -6.408 -7.821 -2.056 361 HD11 ILE 52 3HD1 ILE 52 -4.131 -11.411 -0.083 362 HD12 ILE 52 1HD1 ILE 52 -3.905 -10.612 1.472 363 HD13 ILE 52 2HD1 ILE 52 -5.491 -10.605 0.698 364 H PHE 53 H PHE 53 -5.784 -6.457 1.781 365 HA PHE 53 HA PHE 53 -3.532 -5.128 2.976 366 HB2 PHE 53 1HB PHE 53 -6.263 -5.921 3.955 367 HB3 PHE 53 2HB PHE 53 -5.047 -5.294 5.063 368 HD1 PHE 53 2HD PHE 53 -4.063 -3.007 4.588 369 HD2 PHE 53 1HD PHE 53 -7.558 -4.482 2.657 370 HE1 PHE 53 2HE PHE 53 -4.693 -0.708 3.979 371 HE2 PHE 53 1HE PHE 53 -8.192 -2.186 2.043 372 HZ PHE 53 HZ PHE 53 -6.760 -0.295 2.705 373 H GLY 54 H GLY 54 -2.131 -5.891 4.507 374 HA2 GLY 54 1HA GLY 54 -1.553 -8.652 4.523 375 HA3 GLY 54 2HA GLY 54 -0.846 -7.451 5.594 376 H ALA 55 H ALA 55 -0.984 -9.448 7.014 377 HA ALA 55 HA ALA 55 -3.648 -9.843 8.160 378 HB1 ALA 55 3HB ALA 55 -1.751 -11.658 7.562 379 HB2 ALA 55 1HB ALA 55 -1.367 -11.353 9.256 380 HB3 ALA 55 2HB ALA 55 -2.982 -11.899 8.801 381 H GLN 56 H GLN 56 -3.941 -9.796 10.479 382 HA GLN 56 HA GLN 56 -3.808 -8.820 12.529 383 HB2 GLN 56 1HB GLN 56 -0.873 -8.586 11.844 384 HB3 GLN 56 2HB GLN 56 -1.563 -8.320 13.439 385 HG2 GLN 56 1HG GLN 56 -1.644 -10.912 11.910 386 HG3 GLN 56 2HG GLN 56 -0.539 -10.528 13.229 387 HE21 GLN 56 1HE2 GLN 56 -3.204 -12.202 12.534 388 HE22 GLN 56 2HE2 GLN 56 -4.006 -12.176 14.063 389 H VAL 57 H VAL 57 -4.431 -7.236 10.207 390 HA VAL 57 HA VAL 57 -3.289 -4.619 10.901 391 HB VAL 57 HB VAL 57 -4.867 -5.448 8.461 392 HG11 VAL 57 1HG1 VAL 57 -4.821 -2.960 9.486 393 HG12 VAL 57 2HG1 VAL 57 -3.364 -2.912 8.490 394 HG13 VAL 57 3HG1 VAL 57 -4.921 -3.304 7.759 395 HG21 VAL 57 3HG2 VAL 57 -1.993 -5.354 9.100 396 HG22 VAL 57 1HG2 VAL 57 -2.864 -6.333 7.920 397 HG23 VAL 57 2HG2 VAL 57 -2.453 -4.659 7.546 398 H ALA 58 H ALA 58 -4.439 -3.431 12.262 399 HA ALA 58 HA ALA 58 -6.998 -3.930 13.167 400 HB1 ALA 58 3HB ALA 58 -5.250 -1.520 13.169 401 HB2 ALA 58 1HB ALA 58 -6.933 -1.350 13.670 402 HB3 ALA 58 2HB ALA 58 -5.868 -2.470 14.521 403 HA PRO 59 HA PRO 59 -9.842 -2.567 10.114 404 HB2 PRO 59 1HB PRO 59 -11.815 -1.492 11.637 405 HB3 PRO 59 2HB PRO 59 -11.519 -3.231 11.537 406 HG2 PRO 59 1HG PRO 59 -10.677 -1.285 13.649 407 HG3 PRO 59 2HG PRO 59 -11.337 -2.920 13.834 408 HD2 PRO 59 1HD PRO 59 -8.691 -2.385 14.044 409 HD3 PRO 59 2HD PRO 59 -9.307 -3.924 13.407 410 H ALA 60 H ALA 60 -9.302 -0.143 12.669 411 HA ALA 60 HA ALA 60 -10.205 2.125 11.426 412 HB1 ALA 60 3HB ALA 60 -8.749 1.574 13.707 413 HB2 ALA 60 1HB ALA 60 -7.681 2.621 12.773 414 HB3 ALA 60 2HB ALA 60 -9.309 3.162 13.183 415 H THR 61 H THR 61 -6.758 1.198 11.432 416 HA THR 61 HA THR 61 -5.746 2.944 9.638 417 HB THR 61 HB THR 61 -5.079 -0.004 9.744 418 HG1 THR 61 1HG THR 61 -3.260 1.067 11.020 419 HG21 THR 61 3HG2 THR 61 -4.264 1.199 7.702 420 HG22 THR 61 1HG2 THR 61 -2.983 0.550 8.724 421 HG23 THR 61 2HG2 THR 61 -3.358 2.273 8.766 422 H LYS 62 H LYS 62 -7.949 0.365 8.947 423 HA LYS 62 HA LYS 62 -7.542 0.594 6.068 424 HB2 LYS 62 1HB LYS 62 -8.946 -1.312 7.869 425 HB3 LYS 62 2HB LYS 62 -9.583 -1.124 6.240 426 HG2 LYS 62 1HG LYS 62 -7.337 -1.653 5.347 427 HG3 LYS 62 2HG LYS 62 -6.789 -1.953 6.998 428 HD2 LYS 62 1HD LYS 62 -9.224 -3.372 6.047 429 HD3 LYS 62 2HD LYS 62 -7.657 -3.909 5.437 430 HE2 LYS 62 1HE LYS 62 -7.798 -5.207 7.307 431 HE3 LYS 62 2HE LYS 62 -7.021 -3.785 8.000 432 HZ1 LYS 62 3HZ LYS 62 -9.694 -4.825 8.425 433 HZ2 LYS 62 1HZ LYS 62 -9.593 -3.143 8.271 434 HZ3 LYS 62 2HZ LYS 62 -8.698 -3.938 9.465 435 H ARG 63 H ARG 63 -9.867 1.426 8.555 436 HA ARG 63 HA ARG 63 -11.972 2.175 6.798 437 HB2 ARG 63 1HB ARG 63 -13.135 2.767 8.683 438 HB3 ARG 63 2HB ARG 63 -11.940 1.692 9.397 439 HG2 ARG 63 1HG ARG 63 -10.581 3.617 10.034 440 HG3 ARG 63 2HG ARG 63 -11.775 4.697 9.312 441 HD2 ARG 63 1HD ARG 63 -13.379 4.200 10.936 442 HD3 ARG 63 2HD ARG 63 -12.547 2.728 11.436 443 HE ARG 63 HE ARG 63 -11.284 3.982 12.870 444 HH11 ARG 63 1HH1 ARG 63 -12.758 6.091 10.525 445 HH12 ARG 63 2HH1 ARG 63 -12.235 7.544 11.310 446 HH21 ARG 63 1HH2 ARG 63 -10.589 5.887 13.912 447 HH22 ARG 63 2HH2 ARG 63 -11.000 7.427 13.236 448 H LEU 64 H LEU 64 -9.170 3.812 8.081 449 HA LEU 64 HA LEU 64 -10.063 6.426 7.227 450 HB2 LEU 64 1HB LEU 64 -7.460 5.423 8.357 451 HB3 LEU 64 2HB LEU 64 -7.739 7.102 7.900 452 HG LEU 64 HG LEU 64 -9.254 5.599 10.034 453 HD11 LEU 64 1HD1 LEU 64 -6.818 6.126 10.489 454 HD12 LEU 64 2HD1 LEU 64 -7.990 6.771 11.638 455 HD13 LEU 64 3HD1 LEU 64 -7.276 7.828 10.420 456 HD21 LEU 64 3HD2 LEU 64 -9.427 8.384 8.942 457 HD22 LEU 64 1HD2 LEU 64 -9.907 8.025 10.601 458 HD23 LEU 64 2HD2 LEU 64 -10.722 7.227 9.255 459 H PHE 65 H PHE 65 -7.471 4.170 6.295 460 HA PHE 65 HA PHE 65 -7.110 5.671 3.805 461 HB2 PHE 65 1HB PHE 65 -5.420 3.483 5.033 462 HB3 PHE 65 2HB PHE 65 -5.041 4.344 3.545 463 HD1 PHE 65 1HD PHE 65 -4.376 6.698 3.608 464 HD2 PHE 65 2HD PHE 65 -5.069 4.480 7.174 465 HE1 PHE 65 1HE PHE 65 -3.196 8.424 4.906 466 HE2 PHE 65 2HE PHE 65 -3.891 6.203 8.478 467 HZ PHE 65 HZ PHE 65 -2.954 8.178 7.344 468 H ALA 66 H ALA 66 -7.645 4.867 1.858 469 HA ALA 66 HA ALA 66 -8.847 2.181 1.800 470 HB1 ALA 66 3HB ALA 66 -10.405 2.914 0.309 471 HB2 ALA 66 1HB ALA 66 -10.091 4.429 1.156 472 HB3 ALA 66 2HB ALA 66 -9.325 4.114 -0.401 473 H LEU 67 H LEU 67 -7.945 0.631 0.603 474 HA LEU 67 HA LEU 67 -5.803 1.401 -1.266 475 HB2 LEU 67 1HB LEU 67 -4.744 0.140 0.347 476 HB3 LEU 67 2HB LEU 67 -6.141 -0.906 0.593 477 HG LEU 67 HG LEU 67 -5.620 -1.842 -1.733 478 HD11 LEU 67 1HD1 LEU 67 -3.055 -0.378 -1.148 479 HD12 LEU 67 2HD1 LEU 67 -4.112 -0.180 -2.545 480 HD13 LEU 67 3HD1 LEU 67 -3.204 -1.677 -2.332 481 HD21 LEU 67 3HD2 LEU 67 -3.728 -2.293 0.572 482 HD22 LEU 67 1HD2 LEU 67 -3.915 -3.367 -0.815 483 HD23 LEU 67 2HD2 LEU 67 -5.265 -3.113 0.293 484 H ASN 68 H ASN 68 -5.859 0.695 -3.336 485 HA ASN 68 HA ASN 68 -8.299 -0.671 -4.189 486 HB2 ASN 68 1HB ASN 68 -6.287 1.082 -5.542 487 HB3 ASN 68 2HB ASN 68 -7.242 -0.029 -6.518 488 HD21 ASN 68 1HD2 ASN 68 -7.832 2.194 -7.367 489 HD22 ASN 68 2HD2 ASN 68 -9.223 2.937 -6.661 490 H ASN 69 H ASN 69 -8.323 -2.710 -4.894 491 HA ASN 69 HA ASN 69 -5.849 -4.219 -4.882 492 HB2 ASN 69 1HB ASN 69 -8.478 -5.432 -5.632 493 HB3 ASN 69 2HB ASN 69 -7.152 -6.124 -4.702 494 HD21 ASN 69 1HD2 ASN 69 -7.340 -6.174 -2.575 495 HD22 ASN 69 2HD2 ASN 69 -8.504 -5.297 -1.646 496 H THR 70 H THR 70 -7.215 -2.327 -7.108 497 HA THR 70 HA THR 70 -6.512 -4.094 -9.359 498 HB THR 70 HB THR 70 -7.889 -2.516 -10.759 499 HG1 THR 70 1HG THR 70 -7.831 -0.946 -8.803 500 HG21 THR 70 3HG2 THR 70 -9.005 -4.495 -10.363 501 HG22 THR 70 1HG2 THR 70 -10.117 -3.335 -9.639 502 HG23 THR 70 2HG2 THR 70 -9.020 -4.262 -8.616 503 H THR 71 H THR 71 -5.956 -1.024 -7.822 504 HA THR 71 HA THR 71 -3.945 -0.384 -9.881 505 HB THR 71 HB THR 71 -4.179 1.996 -9.151 506 HG1 THR 71 1HG THR 71 -5.886 2.551 -7.824 507 HG21 THR 71 3HG2 THR 71 -5.297 1.349 -11.160 508 HG22 THR 71 1HG2 THR 71 -6.423 2.341 -10.234 509 HG23 THR 71 2HG2 THR 71 -6.605 0.587 -10.257 510 H GLY 72 H GLY 72 -4.551 -1.010 -6.559 511 HA2 GLY 72 1HA GLY 72 -3.136 -1.235 -4.765 512 HA3 GLY 72 2HA GLY 72 -1.814 -1.241 -5.922 513 H LEU 73 H LEU 73 -4.184 1.225 -4.916 514 HA LEU 73 HA LEU 73 -1.918 2.966 -4.206 515 HB2 LEU 73 1HB LEU 73 -2.722 3.826 -6.248 516 HB3 LEU 73 2HB LEU 73 -4.403 3.615 -5.764 517 HG LEU 73 HG LEU 73 -3.982 5.411 -4.023 518 HD11 LEU 73 1HD1 LEU 73 -1.565 5.349 -3.995 519 HD12 LEU 73 2HD1 LEU 73 -2.119 6.945 -4.502 520 HD13 LEU 73 3HD1 LEU 73 -1.507 5.803 -5.698 521 HD21 LEU 73 3HD2 LEU 73 -3.554 6.582 -6.721 522 HD22 LEU 73 1HD2 LEU 73 -4.717 7.016 -5.468 523 HD23 LEU 73 2HD2 LEU 73 -4.986 5.584 -6.461 524 H ILE 74 H ILE 74 -2.133 4.205 -2.383 525 HA ILE 74 HA ILE 74 -4.555 3.716 -0.776 526 HB ILE 74 HB ILE 74 -1.734 4.253 0.160 527 HG12 ILE 74 1HG1 ILE 74 -3.469 1.801 0.519 528 HG13 ILE 74 2HG1 ILE 74 -2.220 1.956 -0.712 529 HG21 ILE 74 1HG2 ILE 74 -2.514 4.785 2.174 530 HG22 ILE 74 2HG2 ILE 74 -4.115 4.898 1.446 531 HG23 ILE 74 3HG2 ILE 74 -3.592 3.389 2.194 532 HD11 ILE 74 3HD1 ILE 74 -0.587 2.345 1.159 533 HD12 ILE 74 1HD1 ILE 74 -1.874 1.872 2.267 534 HD13 ILE 74 2HD1 ILE 74 -1.281 0.727 1.064 535 H THR 75 H THR 75 -5.806 5.419 -0.441 536 HA THR 75 HA THR 75 -4.574 8.096 -0.400 537 HB THR 75 HB THR 75 -6.730 8.963 -1.364 538 HG1 THR 75 1HG THR 75 -8.245 7.458 -1.321 539 HG21 THR 75 3HG2 THR 75 -6.215 7.949 -3.711 540 HG22 THR 75 1HG2 THR 75 -4.851 7.197 -2.884 541 HG23 THR 75 2HG2 THR 75 -5.006 8.954 -2.912 542 H VAL 76 H VAL 76 -6.081 9.741 0.641 543 HA VAL 76 HA VAL 76 -6.827 8.733 3.236 544 HB VAL 76 HB VAL 76 -7.017 11.526 2.100 545 HG11 VAL 76 1HG1 VAL 76 -8.419 11.792 3.847 546 HG12 VAL 76 2HG1 VAL 76 -7.829 10.351 4.678 547 HG13 VAL 76 3HG1 VAL 76 -6.919 11.860 4.771 548 HG21 VAL 76 3HG2 VAL 76 -4.789 10.001 2.952 549 HG22 VAL 76 1HG2 VAL 76 -4.838 11.700 2.483 550 HG23 VAL 76 2HG2 VAL 76 -5.080 11.243 4.169 551 H GLN 77 H GLN 77 -8.713 7.698 3.420 552 HA GLN 77 HA GLN 77 -10.979 8.334 1.769 553 HB2 GLN 77 1HB GLN 77 -10.351 6.023 2.640 554 HB3 GLN 77 2HB GLN 77 -10.976 6.548 4.198 555 HG2 GLN 77 1HG GLN 77 -13.164 6.716 3.395 556 HG3 GLN 77 2HG GLN 77 -12.640 6.693 1.712 557 HE21 GLN 77 1HE2 GLN 77 -12.746 4.723 4.641 558 HE22 GLN 77 2HE2 GLN 77 -12.918 3.208 3.830 559 H ARG 78 H ARG 78 -10.059 8.815 5.144 560 HA ARG 78 HA ARG 78 -12.064 10.919 5.353 561 HB2 ARG 78 1HB ARG 78 -11.919 8.558 7.232 562 HB3 ARG 78 2HB ARG 78 -12.798 10.039 7.586 563 HG2 ARG 78 1HG ARG 78 -14.159 9.645 5.541 564 HG3 ARG 78 2HG ARG 78 -13.350 8.087 5.365 565 HD2 ARG 78 1HD ARG 78 -15.296 7.529 6.495 566 HD3 ARG 78 2HD ARG 78 -14.118 7.679 7.798 567 HE ARG 78 HE ARG 78 -15.612 10.084 7.227 568 HH11 ARG 78 1HH1 ARG 78 -15.440 7.146 9.088 569 HH12 ARG 78 2HH1 ARG 78 -16.472 7.732 10.350 570 HH21 ARG 78 1HH2 ARG 78 -16.972 10.866 8.883 571 HH22 ARG 78 2HH2 ARG 78 -17.343 9.847 10.232 572 H SER 79 H SER 79 -11.821 12.059 7.548 573 HA SER 79 HA SER 79 -9.239 13.088 7.752 574 HB2 SER 79 1HB SER 79 -11.505 14.046 8.599 575 HB3 SER 79 2HB SER 79 -11.143 13.155 10.078 576 HG SER 79 HG SER 79 -10.245 15.119 10.384 577 H LEU 80 H LEU 80 -7.715 12.978 9.513 578 HA LEU 80 HA LEU 80 -7.695 10.338 10.822 579 HB2 LEU 80 1HB LEU 80 -5.267 11.984 10.166 580 HB3 LEU 80 2HB LEU 80 -5.332 10.292 10.656 581 HG LEU 80 HG LEU 80 -6.579 11.161 8.077 582 HD11 LEU 80 1HD1 LEU 80 -4.189 12.004 8.268 583 HD12 LEU 80 2HD1 LEU 80 -4.559 10.959 6.896 584 HD13 LEU 80 3HD1 LEU 80 -3.707 10.308 8.296 585 HD21 LEU 80 3HD2 LEU 80 -7.111 8.949 8.619 586 HD22 LEU 80 1HD2 LEU 80 -5.493 8.615 9.237 587 HD23 LEU 80 2HD2 LEU 80 -5.752 8.807 7.503 588 H ASP 81 H ASP 81 -6.708 10.212 12.922 589 HA ASP 81 HA ASP 81 -6.518 12.770 14.355 590 HB2 ASP 81 1HB ASP 81 -8.180 10.373 15.116 591 HB3 ASP 81 2HB ASP 81 -7.671 11.571 16.303 592 H ARG 82 H ARG 82 -4.856 12.910 15.749 593 HA ARG 82 HA ARG 82 -2.987 10.704 15.851 594 HB2 ARG 82 1HB ARG 82 -2.933 13.592 16.588 595 HB3 ARG 82 2HB ARG 82 -1.789 12.518 17.383 596 HG2 ARG 82 1HG ARG 82 -1.298 11.743 14.923 597 HG3 ARG 82 2HG ARG 82 -1.964 13.330 14.529 598 HD2 ARG 82 1HD ARG 82 0.523 13.274 14.814 599 HD3 ARG 82 2HD ARG 82 -0.314 14.434 15.844 600 HE ARG 82 HE ARG 82 0.023 11.976 17.201 601 HH11 ARG 82 1HH1 ARG 82 1.789 14.780 16.134 602 HH12 ARG 82 2HH1 ARG 82 2.982 14.666 17.385 603 HH21 ARG 82 1HH2 ARG 82 1.587 11.816 18.853 604 HH22 ARG 82 2HH2 ARG 82 2.867 12.979 18.931 605 H GLU 83 H GLU 83 -5.189 12.372 18.016 606 HA GLU 83 HA GLU 83 -4.353 11.558 20.491 607 HB2 GLU 83 1HB GLU 83 -6.690 11.676 21.206 608 HB3 GLU 83 2HB GLU 83 -6.289 13.013 20.138 609 HG2 GLU 83 1HG GLU 83 -7.357 11.837 18.275 610 HG3 GLU 83 2HG GLU 83 -7.778 10.515 19.362 611 H GLU 84 H GLU 84 -5.627 9.606 17.944 612 HA GLU 84 HA GLU 84 -5.945 7.314 19.747 613 HB2 GLU 84 1HB GLU 84 -7.775 7.897 18.125 614 HB3 GLU 84 2HB GLU 84 -6.669 7.493 16.820 615 HG2 GLU 84 1HG GLU 84 -7.780 5.524 17.007 616 HG3 GLU 84 2HG GLU 84 -6.465 5.229 18.142 617 H THR 85 H THR 85 -4.570 7.970 16.520 618 HA THR 85 HA THR 85 -2.303 6.237 17.213 619 HB THR 85 HB THR 85 -3.968 4.962 15.827 620 HG1 THR 85 1HG THR 85 -2.063 4.056 15.508 621 HG21 THR 85 3HG2 THR 85 -3.070 6.607 13.492 622 HG22 THR 85 1HG2 THR 85 -4.474 7.101 14.437 623 HG23 THR 85 2HG2 THR 85 -4.461 5.533 13.631 624 H ALA 86 H ALA 86 -0.414 7.175 16.802 625 HA ALA 86 HA ALA 86 -0.368 9.648 15.260 626 HB1 ALA 86 3HB ALA 86 2.209 9.056 16.230 627 HB2 ALA 86 1HB ALA 86 1.069 10.259 16.833 628 HB3 ALA 86 2HB ALA 86 1.071 8.629 17.508 629 H ILE 87 H ILE 87 0.919 6.382 15.166 630 HA ILE 87 HA ILE 87 2.093 6.977 12.528 631 HB ILE 87 HB ILE 87 2.931 4.828 14.479 632 HG12 ILE 87 1HG1 ILE 87 4.641 7.123 13.574 633 HG13 ILE 87 2HG1 ILE 87 3.505 7.341 14.900 634 HG21 ILE 87 1HG2 ILE 87 4.528 4.123 12.944 635 HG22 ILE 87 2HG2 ILE 87 3.108 4.415 11.941 636 HG23 ILE 87 3HG2 ILE 87 4.409 5.604 11.993 637 HD11 ILE 87 3HD1 ILE 87 5.108 4.956 15.231 638 HD12 ILE 87 1HD1 ILE 87 6.094 6.410 15.080 639 HD13 ILE 87 2HD1 ILE 87 4.852 6.312 16.329 640 H HIS 88 H HIS 88 1.492 5.767 10.813 641 HA HIS 88 HA HIS 88 -0.473 3.630 11.312 642 HB2 HIS 88 1HB HIS 88 -0.238 5.674 9.126 643 HB3 HIS 88 2HB HIS 88 -1.103 4.166 8.843 644 HD1 HIS 88 1HD HIS 88 -3.128 3.716 10.623 645 HD2 HIS 88 2HD HIS 88 -1.744 7.617 10.272 646 HE1 HIS 88 1HE HIS 88 -4.939 5.162 11.600 647 HE2 HIS 88 2HE HIS 88 -4.116 7.523 11.299 648 H LYS 89 H LYS 89 0.117 1.635 10.800 649 HA LYS 89 HA LYS 89 2.364 1.273 8.930 650 HB2 LYS 89 1HB LYS 89 1.453 -0.424 11.256 651 HB3 LYS 89 2HB LYS 89 2.665 -0.942 10.092 652 HG2 LYS 89 1HG LYS 89 2.910 1.545 11.766 653 HG3 LYS 89 2HG LYS 89 3.579 -0.023 12.221 654 HD2 LYS 89 1HD LYS 89 4.853 -0.018 10.074 655 HD3 LYS 89 2HD LYS 89 4.286 1.631 9.800 656 HE2 LYS 89 1HE LYS 89 6.400 1.903 10.759 657 HE3 LYS 89 2HE LYS 89 5.283 2.154 12.100 658 HZ1 LYS 89 3HZ LYS 89 6.333 -0.544 11.624 659 HZ2 LYS 89 1HZ LYS 89 5.864 0.189 13.076 660 HZ3 LYS 89 2HZ LYS 89 7.340 0.599 12.359 661 H VAL 90 H VAL 90 1.580 0.777 6.982 662 HA VAL 90 HA VAL 90 -0.589 -1.215 6.824 663 HB VAL 90 HB VAL 90 0.075 0.860 4.734 664 HG11 VAL 90 1HG1 VAL 90 -1.392 -1.500 4.578 665 HG12 VAL 90 2HG1 VAL 90 -2.603 -0.224 4.721 666 HG13 VAL 90 3HG1 VAL 90 -1.406 -0.164 3.426 667 HG21 VAL 90 3HG2 VAL 90 -1.879 0.907 7.010 668 HG22 VAL 90 1HG2 VAL 90 -0.726 2.145 6.509 669 HG23 VAL 90 2HG2 VAL 90 -2.165 1.835 5.538 670 H THR 91 H THR 91 -0.202 -3.054 5.755 671 HA THR 91 HA THR 91 2.320 -3.256 4.243 672 HB THR 91 HB THR 91 0.858 -5.534 5.584 673 HG1 THR 91 1HG THR 91 1.954 -3.713 6.905 674 HG21 THR 91 3HG2 THR 91 2.384 -6.049 3.660 675 HG22 THR 91 1HG2 THR 91 2.849 -6.800 5.186 676 HG23 THR 91 2HG2 THR 91 3.707 -5.371 4.608 677 H VAL 92 H VAL 92 2.110 -3.533 2.129 678 HA VAL 92 HA VAL 92 -0.455 -4.473 1.062 679 HB VAL 92 HB VAL 92 1.848 -3.108 -0.339 680 HG11 VAL 92 1HG1 VAL 92 0.829 -3.408 -2.323 681 HG12 VAL 92 2HG1 VAL 92 0.070 -4.780 -1.512 682 HG13 VAL 92 3HG1 VAL 92 -0.786 -3.242 -1.635 683 HG21 VAL 92 3HG2 VAL 92 -0.831 -2.119 0.615 684 HG22 VAL 92 1HG2 VAL 92 0.768 -1.540 1.080 685 HG23 VAL 92 2HG2 VAL 92 0.164 -1.246 -0.550 686 H LEU 93 H LEU 93 -0.663 -6.352 -0.004 687 HA LEU 93 HA LEU 93 1.780 -7.935 -0.455 688 HB2 LEU 93 1HB LEU 93 -0.985 -8.713 0.392 689 HB3 LEU 93 2HB LEU 93 0.084 -9.884 -0.377 690 HG LEU 93 HG LEU 93 1.050 -8.397 2.023 691 HD11 LEU 93 1HD1 LEU 93 -1.276 -9.289 2.474 692 HD12 LEU 93 2HD1 LEU 93 0.005 -9.865 3.540 693 HD13 LEU 93 3HD1 LEU 93 -0.597 -10.901 2.246 694 HD21 LEU 93 3HD2 LEU 93 1.667 -10.895 0.553 695 HD22 LEU 93 1HD2 LEU 93 1.905 -10.901 2.300 696 HD23 LEU 93 2HD2 LEU 93 2.750 -9.719 1.300 697 H ALA 94 H ALA 94 2.124 -8.858 -2.417 698 HA ALA 94 HA ALA 94 0.033 -8.536 -4.464 699 HB1 ALA 94 3HB ALA 94 2.468 -8.305 -5.807 700 HB2 ALA 94 1HB ALA 94 1.290 -7.028 -5.503 701 HB3 ALA 94 2HB ALA 94 2.625 -7.283 -4.379 702 H SER 95 H SER 95 -0.436 -10.366 -5.483 703 HA SER 95 HA SER 95 1.633 -12.434 -5.735 704 HB2 SER 95 1HB SER 95 -0.088 -12.793 -3.805 705 HB3 SER 95 2HB SER 95 -1.197 -13.218 -5.108 706 HG SER 95 HG SER 95 0.807 -14.601 -5.730 707 H ASP 96 H ASP 96 1.687 -13.441 -7.666 708 HA ASP 96 HA ASP 96 -0.528 -12.923 -9.539 709 HB2 ASP 96 1HB ASP 96 1.157 -12.815 -11.356 710 HB3 ASP 96 2HB ASP 96 1.361 -11.532 -10.167 711 H GLY 97 H GLY 97 2.146 -15.073 -8.662 712 HA2 GLY 97 1HA GLY 97 0.633 -17.418 -9.088 713 HA3 GLY 97 2HA GLY 97 1.648 -17.126 -10.493 714 H SER 98 H SER 98 2.507 -16.329 -7.176 715 HA SER 98 HA SER 98 4.642 -18.355 -7.332 716 HB2 SER 98 1HB SER 98 6.011 -16.898 -5.943 717 HB3 SER 98 2HB SER 98 5.450 -16.005 -7.357 718 HG SER 98 HG SER 98 4.908 -15.609 -4.695 719 H SER 99 H SER 99 5.436 -19.070 -5.140 720 HA SER 99 HA SER 99 3.228 -20.110 -3.663 721 HB2 SER 99 1HB SER 99 4.842 -21.323 -2.398 722 HB3 SER 99 2HB SER 99 5.466 -21.259 -4.047 723 HG SER 99 HG SER 99 6.980 -19.831 -3.440 724 H THR 100 H THR 100 5.759 -17.724 -2.962 725 HA THR 100 HA THR 100 4.178 -16.849 -0.633 726 HB THR 100 HB THR 100 7.156 -16.526 -1.045 727 HG1 THR 100 1HG THR 100 7.281 -18.112 0.619 728 HG21 THR 100 3HG2 THR 100 6.507 -14.749 0.322 729 HG22 THR 100 1HG2 THR 100 6.967 -16.000 1.476 730 HG23 THR 100 2HG2 THR 100 5.263 -15.701 1.132 731 HA PRO 101 HA PRO 101 3.600 -13.149 -3.044 732 HB2 PRO 101 1HB PRO 101 2.192 -11.801 -1.154 733 HB3 PRO 101 2HB PRO 101 1.486 -13.081 -2.146 734 HG2 PRO 101 1HG PRO 101 2.529 -13.215 0.656 735 HG3 PRO 101 2HG PRO 101 1.056 -13.930 -0.024 736 HD2 PRO 101 1HD PRO 101 3.314 -15.365 0.392 737 HD3 PRO 101 2HD PRO 101 2.194 -15.712 -0.941 738 H ALA 102 H ALA 102 4.076 -10.836 -2.805 739 HA ALA 102 HA ALA 102 6.485 -10.446 -1.201 740 HB1 ALA 102 3HB ALA 102 6.714 -8.358 -2.576 741 HB2 ALA 102 1HB ALA 102 6.755 -9.867 -3.490 742 HB3 ALA 102 2HB ALA 102 5.292 -8.880 -3.479 743 H ARG 103 H ARG 103 6.687 -8.949 0.398 744 HA ARG 103 HA ARG 103 4.234 -7.504 1.159 745 HB2 ARG 103 1HB ARG 103 5.093 -7.603 3.486 746 HB3 ARG 103 2HB ARG 103 4.777 -9.191 2.799 747 HG2 ARG 103 1HG ARG 103 7.275 -9.216 2.216 748 HG3 ARG 103 2HG ARG 103 7.407 -7.876 3.357 749 HD2 ARG 103 1HD ARG 103 6.543 -9.228 5.138 750 HD3 ARG 103 2HD ARG 103 6.168 -10.540 4.022 751 HE ARG 103 HE ARG 103 8.891 -10.055 3.816 752 HH11 ARG 103 1HH1 ARG 103 6.627 -11.113 6.239 753 HH12 ARG 103 2HH1 ARG 103 7.787 -12.081 7.087 754 HH21 ARG 103 1HH2 ARG 103 10.428 -11.325 4.924 755 HH22 ARG 103 2HH2 ARG 103 9.949 -12.200 6.339 756 H ALA 104 H ALA 104 4.335 -5.351 1.548 757 HA ALA 104 HA ALA 104 6.977 -4.060 1.509 758 HB1 ALA 104 3HB ALA 104 5.417 -4.019 -0.676 759 HB2 ALA 104 1HB ALA 104 4.792 -2.601 0.167 760 HB3 ALA 104 2HB ALA 104 6.507 -2.705 -0.235 761 H THR 105 H THR 105 7.220 -2.993 3.351 762 HA THR 105 HA THR 105 4.893 -2.091 4.846 763 HB THR 105 HB THR 105 7.794 -1.851 5.650 764 HG1 THR 105 1HG THR 105 6.092 -3.891 6.589 765 HG21 THR 105 3HG2 THR 105 7.061 -1.087 7.629 766 HG22 THR 105 1HG2 THR 105 5.741 -2.254 7.693 767 HG23 THR 105 2HG2 THR 105 5.550 -0.754 6.785 768 H VAL 106 H VAL 106 4.168 -0.069 4.822 769 HA VAL 106 HA VAL 106 5.970 2.056 3.857 770 HB VAL 106 HB VAL 106 2.980 1.860 3.469 771 HG11 VAL 106 1HG1 VAL 106 3.239 3.892 2.110 772 HG12 VAL 106 2HG1 VAL 106 3.673 4.163 3.799 773 HG13 VAL 106 3HG1 VAL 106 4.936 3.977 2.581 774 HG21 VAL 106 3HG2 VAL 106 3.367 0.895 1.500 775 HG22 VAL 106 1HG2 VAL 106 4.581 2.102 1.079 776 HG23 VAL 106 2HG2 VAL 106 5.040 0.678 2.013 777 H THR 107 H THR 107 6.621 2.996 5.719 778 HA THR 107 HA THR 107 4.923 3.362 7.981 779 HB THR 107 HB THR 107 7.571 4.679 7.345 780 HG1 THR 107 1HG THR 107 6.858 2.281 8.686 781 HG21 THR 107 3HG2 THR 107 5.713 5.262 9.370 782 HG22 THR 107 1HG2 THR 107 7.383 5.813 9.255 783 HG23 THR 107 2HG2 THR 107 7.001 4.337 10.141 784 H ILE 108 H ILE 108 3.604 5.000 8.482 785 HA ILE 108 HA ILE 108 3.756 7.456 6.862 786 HB ILE 108 HB ILE 108 1.233 6.103 7.824 787 HG12 ILE 108 1HG1 ILE 108 1.956 6.586 4.953 788 HG13 ILE 108 2HG1 ILE 108 2.593 5.175 5.791 789 HG21 ILE 108 1HG2 ILE 108 0.050 7.845 6.613 790 HG22 ILE 108 2HG2 ILE 108 1.092 8.551 7.848 791 HG23 ILE 108 3HG2 ILE 108 1.582 8.589 6.154 792 HD11 ILE 108 3HD1 ILE 108 0.034 4.884 6.425 793 HD12 ILE 108 1HD1 ILE 108 -0.166 5.787 4.924 794 HD13 ILE 108 2HD1 ILE 108 0.717 4.260 4.924 795 H ASN 109 H ASN 109 4.540 8.951 8.211 796 HA ASN 109 HA ASN 109 3.795 8.949 11.020 797 HB2 ASN 109 1HB ASN 109 5.822 10.397 9.362 798 HB3 ASN 109 2HB ASN 109 5.341 11.081 10.912 799 HD21 ASN 109 1HD2 ASN 109 6.504 8.099 9.414 800 HD22 ASN 109 2HD2 ASN 109 7.426 7.568 10.775 801 H VAL 110 H VAL 110 2.197 10.123 11.840 802 HA VAL 110 HA VAL 110 0.829 12.051 10.136 803 HB VAL 110 HB VAL 110 0.060 11.057 12.883 804 HG11 VAL 110 1HG1 VAL 110 -1.775 12.347 12.785 805 HG12 VAL 110 2HG1 VAL 110 -0.845 13.287 11.616 806 HG13 VAL 110 3HG1 VAL 110 -1.997 12.074 11.057 807 HG21 VAL 110 3HG2 VAL 110 -0.064 9.777 10.321 808 HG22 VAL 110 1HG2 VAL 110 -0.549 9.160 11.901 809 HG23 VAL 110 2HG2 VAL 110 -1.696 10.074 10.921 810 H THR 111 H THR 111 1.181 14.159 10.270 811 HA THR 111 HA THR 111 2.457 15.223 12.701 812 HB THR 111 HB THR 111 3.394 16.989 11.384 813 HG1 THR 111 1HG THR 111 2.146 15.941 9.061 814 HG21 THR 111 3HG2 THR 111 3.772 14.661 9.549 815 HG22 THR 111 1HG2 THR 111 4.303 14.536 11.225 816 HG23 THR 111 2HG2 THR 111 4.964 15.796 10.182 817 H ASP 112 H ASP 112 1.894 17.490 13.247 818 HA ASP 112 HA ASP 112 -0.928 17.776 13.469 819 HB2 ASP 112 1HB ASP 112 1.333 19.666 14.147 820 HB3 ASP 112 2HB ASP 112 -0.357 19.969 14.540 821 H VAL 113 H VAL 113 -1.691 20.259 13.089 822 HA VAL 113 HA VAL 113 -0.998 20.972 10.320 823 HB VAL 113 HB VAL 113 -3.518 21.621 10.152 824 HG11 VAL 113 1HG1 VAL 113 -3.977 19.103 9.550 825 HG12 VAL 113 2HG1 VAL 113 -2.846 20.071 8.602 826 HG13 VAL 113 3HG1 VAL 113 -2.242 18.951 9.823 827 HG21 VAL 113 3HG2 VAL 113 -4.319 21.219 12.313 828 HG22 VAL 113 1HG2 VAL 113 -4.888 19.835 11.380 829 HG23 VAL 113 2HG2 VAL 113 -3.483 19.670 12.433 830 H ASN 114 H ASN 114 -0.246 22.977 10.297 831 HA ASN 114 HA ASN 114 -0.317 24.792 12.381 832 HB2 ASN 114 1HB ASN 114 -0.095 25.380 9.419 833 HB3 ASN 114 2HB ASN 114 0.335 26.496 10.712 834 HD21 ASN 114 1HD2 ASN 114 2.399 26.431 9.511 835 HD22 ASN 114 2HD2 ASN 114 3.544 25.210 9.937 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -3.541 -30.795 -9.367 2 HA2 GLY 1 1HA GLY 1 -2.833 -29.627 -11.218 3 HA3 GLY 1 2HA GLY 1 -4.045 -28.413 -10.837 4 H SER 2 H SER 2 -1.640 -27.635 -11.862 5 HA SER 2 HA SER 2 -0.058 -26.028 -11.517 6 HB2 SER 2 1HB SER 2 -1.875 -25.256 -9.781 7 HB3 SER 2 2HB SER 2 -0.713 -25.854 -8.597 8 HG SER 2 HG SER 2 -0.626 -23.607 -10.163 9 H SER 3 H SER 3 0.634 -28.714 -11.400 10 HA SER 3 HA SER 3 2.584 -28.879 -9.210 11 HB2 SER 3 1HB SER 3 1.522 -31.014 -11.074 12 HB3 SER 3 2HB SER 3 2.758 -31.285 -9.846 13 HG SER 3 HG SER 3 0.945 -30.207 -8.471 14 H GLY 4 H GLY 4 4.758 -29.088 -9.586 15 HA2 GLY 4 1HA GLY 4 6.733 -28.721 -10.702 16 HA3 GLY 4 2HA GLY 4 6.042 -29.766 -11.935 17 H SER 5 H SER 5 6.480 -26.447 -10.896 18 HA SER 5 HA SER 5 5.470 -25.479 -13.471 19 HB2 SER 5 1HB SER 5 6.269 -23.929 -10.995 20 HB3 SER 5 2HB SER 5 5.544 -23.245 -12.450 21 HG SER 5 HG SER 5 3.786 -24.840 -11.983 22 H SER 6 H SER 6 7.025 -25.702 -14.977 23 HA SER 6 HA SER 6 9.772 -25.621 -14.604 24 HB2 SER 6 1HB SER 6 8.673 -26.444 -16.662 25 HB3 SER 6 2HB SER 6 8.249 -24.785 -17.085 26 HG SER 6 HG SER 6 10.298 -24.361 -17.564 27 H GLY 7 H GLY 7 10.543 -23.959 -13.366 28 HA2 GLY 7 1HA GLY 7 11.425 -21.871 -12.981 29 HA3 GLY 7 2HA GLY 7 11.073 -21.490 -14.660 30 H ASN 8 H ASN 8 9.499 -20.071 -15.082 31 HA ASN 8 HA ASN 8 8.111 -18.308 -14.524 32 HB2 ASN 8 1HB ASN 8 6.709 -20.371 -15.120 33 HB3 ASN 8 2HB ASN 8 6.404 -20.520 -13.391 34 HD21 ASN 8 1HD2 ASN 8 4.551 -19.689 -12.798 35 HD22 ASN 8 2HD2 ASN 8 3.776 -18.310 -13.494 36 H ASP 9 H ASP 9 10.042 -18.584 -12.523 37 HA ASP 9 HA ASP 9 8.510 -18.166 -10.045 38 HB2 ASP 9 1HB ASP 9 10.406 -19.929 -10.212 39 HB3 ASP 9 2HB ASP 9 11.490 -18.542 -10.147 40 H ASN 10 H ASN 10 8.475 -16.109 -11.876 41 HA ASN 10 HA ASN 10 10.493 -14.182 -11.011 42 HB2 ASN 10 1HB ASN 10 9.470 -12.721 -12.769 43 HB3 ASN 10 2HB ASN 10 10.110 -14.240 -13.389 44 HD21 ASN 10 1HD2 ASN 10 7.856 -12.265 -14.107 45 HD22 ASN 10 2HD2 ASN 10 6.522 -13.307 -14.454 46 H ARG 11 H ARG 11 9.704 -13.973 -8.846 47 HA ARG 11 HA ARG 11 7.051 -13.090 -8.296 48 HB2 ARG 11 1HB ARG 11 7.831 -12.754 -6.021 49 HB3 ARG 11 2HB ARG 11 8.438 -14.284 -6.639 50 HG2 ARG 11 1HG ARG 11 10.604 -13.580 -6.659 51 HG3 ARG 11 2HG ARG 11 10.167 -11.890 -6.920 52 HD2 ARG 11 1HD ARG 11 9.135 -12.137 -4.510 53 HD3 ARG 11 2HD ARG 11 10.299 -13.456 -4.390 54 HE ARG 11 HE ARG 11 11.773 -11.373 -5.318 55 HH11 ARG 11 1HH1 ARG 11 9.662 -11.824 -2.587 56 HH12 ARG 11 2HH1 ARG 11 10.514 -10.703 -1.577 57 HH21 ARG 11 1HH2 ARG 11 12.903 -9.894 -3.999 58 HH22 ARG 11 2HH2 ARG 11 12.356 -9.605 -2.382 59 HA PRO 12 HA PRO 12 7.381 -8.780 -9.088 60 HB2 PRO 12 1HB PRO 12 5.557 -7.832 -7.314 61 HB3 PRO 12 2HB PRO 12 5.104 -8.692 -8.790 62 HG2 PRO 12 1HG PRO 12 5.300 -9.718 -5.984 63 HG3 PRO 12 2HG PRO 12 4.050 -10.026 -7.203 64 HD2 PRO 12 1HD PRO 12 6.028 -11.796 -6.665 65 HD3 PRO 12 2HD PRO 12 5.318 -11.620 -8.283 66 H VAL 13 H VAL 13 8.255 -6.865 -8.276 67 HA VAL 13 HA VAL 13 9.258 -6.928 -5.514 68 HB VAL 13 HB VAL 13 10.909 -6.066 -7.893 69 HG11 VAL 13 1HG1 VAL 13 11.108 -5.488 -5.113 70 HG12 VAL 13 2HG1 VAL 13 12.458 -6.529 -5.569 71 HG13 VAL 13 3HG1 VAL 13 12.189 -5.008 -6.421 72 HG21 VAL 13 3HG2 VAL 13 12.296 -8.046 -7.365 73 HG22 VAL 13 1HG2 VAL 13 11.084 -8.546 -6.185 74 HG23 VAL 13 2HG2 VAL 13 10.669 -8.470 -7.898 75 H PHE 14 H PHE 14 8.480 -5.220 -4.484 76 HA PHE 14 HA PHE 14 7.305 -3.000 -5.773 77 HB2 PHE 14 1HB PHE 14 8.180 -3.388 -2.905 78 HB3 PHE 14 2HB PHE 14 7.244 -2.009 -3.472 79 HD1 PHE 14 1HD PHE 14 5.053 -2.648 -4.796 80 HD2 PHE 14 2HD PHE 14 7.056 -5.185 -2.027 81 HE1 PHE 14 1HE PHE 14 2.974 -3.921 -4.463 82 HE2 PHE 14 2HE PHE 14 4.980 -6.461 -1.689 83 HZ PHE 14 HZ PHE 14 2.936 -5.831 -2.909 84 H LYS 15 H LYS 15 7.953 -0.754 -5.600 85 HA LYS 15 HA LYS 15 10.363 -0.130 -6.688 86 HB2 LYS 15 1HB LYS 15 8.299 1.365 -6.147 87 HB3 LYS 15 2HB LYS 15 9.168 1.736 -4.664 88 HG2 LYS 15 1HG LYS 15 9.854 3.448 -6.015 89 HG3 LYS 15 2HG LYS 15 11.136 2.268 -6.300 90 HD2 LYS 15 1HD LYS 15 10.152 1.588 -8.365 91 HD3 LYS 15 2HD LYS 15 8.690 2.522 -8.042 92 HE2 LYS 15 1HE LYS 15 11.397 3.807 -8.264 93 HE3 LYS 15 2HE LYS 15 10.382 3.515 -9.675 94 HZ1 LYS 15 3HZ LYS 15 9.319 4.959 -7.333 95 HZ2 LYS 15 1HZ LYS 15 8.789 5.002 -8.940 96 HZ3 LYS 15 2HZ LYS 15 10.230 5.772 -8.504 97 H GLU 16 H GLU 16 9.636 0.094 -3.202 98 HA GLU 16 HA GLU 16 12.371 -0.685 -2.594 99 HB2 GLU 16 1HB GLU 16 11.207 1.904 -1.553 100 HB3 GLU 16 2HB GLU 16 12.769 1.224 -1.120 101 HG2 GLU 16 1HG GLU 16 12.075 1.916 -3.952 102 HG3 GLU 16 2HG GLU 16 12.731 3.107 -2.829 103 H GLY 17 H GLY 17 12.603 -1.656 -0.603 104 HA2 GLY 17 1HA GLY 17 10.479 -2.985 0.529 105 HA3 GLY 17 2HA GLY 17 11.980 -2.646 1.378 106 H GLN 18 H GLN 18 12.070 -0.983 2.861 107 HA GLN 18 HA GLN 18 9.490 -0.097 3.852 108 HB2 GLN 18 1HB GLN 18 12.268 0.324 4.968 109 HB3 GLN 18 2HB GLN 18 10.765 0.734 5.784 110 HG2 GLN 18 1HG GLN 18 10.245 -1.452 6.230 111 HG3 GLN 18 2HG GLN 18 11.191 -2.066 4.876 112 HE21 GLN 18 1HE2 GLN 18 11.424 -0.622 8.076 113 HE22 GLN 18 2HE2 GLN 18 12.958 -1.308 8.476 114 H VAL 19 H VAL 19 8.637 1.843 3.501 115 HA VAL 19 HA VAL 19 10.401 4.072 2.767 116 HB VAL 19 HB VAL 19 7.829 3.437 1.316 117 HG11 VAL 19 1HG1 VAL 19 8.524 5.860 1.599 118 HG12 VAL 19 2HG1 VAL 19 9.912 5.476 0.580 119 HG13 VAL 19 3HG1 VAL 19 8.276 5.302 -0.055 120 HG21 VAL 19 3HG2 VAL 19 10.246 3.457 -0.282 121 HG22 VAL 19 1HG2 VAL 19 10.296 2.221 0.975 122 HG23 VAL 19 2HG2 VAL 19 8.969 2.246 -0.186 123 H GLU 20 H GLU 20 10.010 5.811 3.963 124 HA GLU 20 HA GLU 20 7.538 5.923 5.521 125 HB2 GLU 20 1HB GLU 20 9.891 6.187 6.528 126 HB3 GLU 20 2HB GLU 20 9.884 7.787 5.801 127 HG2 GLU 20 1HG GLU 20 8.082 8.499 7.139 128 HG3 GLU 20 2HG GLU 20 7.717 6.854 7.655 129 H VAL 21 H VAL 21 6.047 7.521 5.338 130 HA VAL 21 HA VAL 21 6.544 9.602 3.310 131 HB VAL 21 HB VAL 21 4.131 9.505 2.743 132 HG11 VAL 21 1HG1 VAL 21 4.316 7.091 1.712 133 HG12 VAL 21 2HG1 VAL 21 5.353 8.403 1.148 134 HG13 VAL 21 3HG1 VAL 21 5.977 7.213 2.291 135 HG21 VAL 21 3HG2 VAL 21 2.906 7.413 3.412 136 HG22 VAL 21 1HG2 VAL 21 4.185 7.131 4.593 137 HG23 VAL 21 2HG2 VAL 21 3.177 8.573 4.712 138 H HIS 22 H HIS 22 5.057 11.498 3.540 139 HA HIS 22 HA HIS 22 4.464 12.029 6.377 140 HB2 HIS 22 1HB HIS 22 5.302 14.183 4.454 141 HB3 HIS 22 2HB HIS 22 5.323 14.211 6.214 142 HD1 HIS 22 1HD HIS 22 7.356 13.293 3.269 143 HD2 HIS 22 2HD HIS 22 7.507 12.797 7.391 144 HE1 HIS 22 1HE HIS 22 9.711 12.569 3.773 145 HE2 HIS 22 2HE HIS 22 9.755 12.193 6.263 146 H ILE 23 H ILE 23 2.476 12.752 6.832 147 HA ILE 23 HA ILE 23 0.883 14.103 4.819 148 HB ILE 23 HB ILE 23 0.536 11.574 4.566 149 HG12 ILE 23 1HG1 ILE 23 -1.871 13.313 5.151 150 HG13 ILE 23 2HG1 ILE 23 -0.967 13.313 3.640 151 HG21 ILE 23 1HG2 ILE 23 0.301 11.534 7.224 152 HG22 ILE 23 2HG2 ILE 23 -1.399 11.726 6.798 153 HG23 ILE 23 3HG2 ILE 23 -0.484 10.351 6.179 154 HD11 ILE 23 3HD1 ILE 23 -3.183 11.932 3.926 155 HD12 ILE 23 1HD1 ILE 23 -1.837 11.324 2.962 156 HD13 ILE 23 2HD1 ILE 23 -2.079 10.739 4.608 157 HA PRO 24 HA PRO 24 -0.416 16.224 8.470 158 HB2 PRO 24 1HB PRO 24 -2.491 17.594 7.380 159 HB3 PRO 24 2HB PRO 24 -0.800 18.022 7.092 160 HG2 PRO 24 1HG PRO 24 -2.680 16.462 5.361 161 HG3 PRO 24 2HG PRO 24 -1.521 17.723 4.902 162 HD2 PRO 24 1HD PRO 24 -1.008 15.084 4.577 163 HD3 PRO 24 2HD PRO 24 0.267 16.268 4.934 164 H GLU 25 H GLU 25 -2.102 16.229 9.993 165 HA GLU 25 HA GLU 25 -3.680 13.867 10.059 166 HB2 GLU 25 1HB GLU 25 -4.620 14.840 12.147 167 HB3 GLU 25 2HB GLU 25 -2.863 14.800 12.122 168 HG2 GLU 25 1HG GLU 25 -2.813 17.168 11.535 169 HG3 GLU 25 2HG GLU 25 -4.575 17.210 11.557 170 H ASN 26 H ASN 26 -4.345 17.233 9.295 171 HA ASN 26 HA ASN 26 -7.180 16.627 8.895 172 HB2 ASN 26 1HB ASN 26 -5.630 19.214 8.998 173 HB3 ASN 26 2HB ASN 26 -7.313 19.141 8.485 174 HD21 ASN 26 1HD2 ASN 26 -5.246 19.484 11.075 175 HD22 ASN 26 2HD2 ASN 26 -6.378 19.231 12.355 176 H ALA 27 H ALA 27 -5.596 15.335 7.090 177 HA ALA 27 HA ALA 27 -5.230 16.844 4.685 178 HB1 ALA 27 3HB ALA 27 -4.243 14.480 5.604 179 HB2 ALA 27 1HB ALA 27 -5.422 13.933 4.412 180 HB3 ALA 27 2HB ALA 27 -4.133 15.038 3.935 181 HA PRO 28 HA PRO 28 -9.312 16.645 3.045 182 HB2 PRO 28 1HB PRO 28 -8.730 16.918 0.407 183 HB3 PRO 28 2HB PRO 28 -8.630 18.257 1.557 184 HG2 PRO 28 1HG PRO 28 -6.443 16.521 0.476 185 HG3 PRO 28 2HG PRO 28 -6.460 18.278 0.721 186 HD2 PRO 28 1HD PRO 28 -5.257 16.577 2.451 187 HD3 PRO 28 2HD PRO 28 -6.015 18.094 2.975 188 H VAL 29 H VAL 29 -10.621 14.980 2.640 189 HA VAL 29 HA VAL 29 -9.787 12.374 2.228 190 HB VAL 29 HB VAL 29 -12.446 13.609 1.501 191 HG11 VAL 29 1HG1 VAL 29 -13.364 11.439 1.367 192 HG12 VAL 29 2HG1 VAL 29 -11.891 11.396 0.396 193 HG13 VAL 29 3HG1 VAL 29 -11.901 10.697 2.015 194 HG21 VAL 29 3HG2 VAL 29 -11.967 11.910 3.904 195 HG22 VAL 29 1HG2 VAL 29 -11.469 13.602 3.935 196 HG23 VAL 29 2HG2 VAL 29 -13.158 13.185 3.645 197 H GLY 30 H GLY 30 -8.657 11.621 0.557 198 HA2 GLY 30 1HA GLY 30 -9.033 10.830 -1.780 199 HA3 GLY 30 2HA GLY 30 -9.449 12.496 -2.153 200 H THR 31 H THR 31 -6.935 12.242 0.097 201 HA THR 31 HA THR 31 -5.033 13.217 -1.860 202 HB THR 31 HB THR 31 -4.540 12.730 1.079 203 HG1 THR 31 1HG THR 31 -6.357 14.257 0.328 204 HG21 THR 31 3HG2 THR 31 -3.236 14.955 -0.325 205 HG22 THR 31 1HG2 THR 31 -2.766 13.354 -0.893 206 HG23 THR 31 2HG2 THR 31 -2.566 13.781 0.806 207 H SER 32 H SER 32 -3.294 12.152 -2.640 208 HA SER 32 HA SER 32 -3.211 9.302 -2.354 209 HB2 SER 32 1HB SER 32 -1.280 9.453 -3.921 210 HB3 SER 32 2HB SER 32 -2.710 10.299 -4.512 211 HG SER 32 HG SER 32 -0.249 11.289 -3.776 212 H VAL 33 H VAL 33 -2.451 8.458 -0.520 213 HA VAL 33 HA VAL 33 -0.440 9.730 1.071 214 HB VAL 33 HB VAL 33 -1.535 6.922 1.280 215 HG11 VAL 33 1HG1 VAL 33 0.694 7.541 2.415 216 HG12 VAL 33 2HG1 VAL 33 -0.304 8.504 3.507 217 HG13 VAL 33 3HG1 VAL 33 -0.556 6.763 3.385 218 HG21 VAL 33 3HG2 VAL 33 -3.424 7.865 1.978 219 HG22 VAL 33 1HG2 VAL 33 -2.529 8.544 3.339 220 HG23 VAL 33 2HG2 VAL 33 -2.718 9.477 1.854 221 H ILE 34 H ILE 34 -0.483 6.534 -0.522 222 HA ILE 34 HA ILE 34 2.295 6.922 -1.328 223 HB ILE 34 HB ILE 34 2.502 5.818 0.828 224 HG12 ILE 34 1HG1 ILE 34 3.825 5.123 -1.349 225 HG13 ILE 34 2HG1 ILE 34 4.040 4.235 0.156 226 HG21 ILE 34 1HG2 ILE 34 0.623 4.666 1.367 227 HG22 ILE 34 2HG2 ILE 34 0.364 4.098 -0.282 228 HG23 ILE 34 3HG2 ILE 34 1.574 3.320 0.738 229 HD11 ILE 34 3HD1 ILE 34 3.604 3.038 -2.167 230 HD12 ILE 34 1HD1 ILE 34 3.022 2.378 -0.639 231 HD13 ILE 34 2HD1 ILE 34 1.927 3.287 -1.681 232 H GLN 35 H GLN 35 2.918 5.709 -3.111 233 HA GLN 35 HA GLN 35 0.832 4.037 -4.341 234 HB2 GLN 35 1HB GLN 35 0.775 6.156 -5.488 235 HB3 GLN 35 2HB GLN 35 2.523 6.151 -5.681 236 HG2 GLN 35 1HG GLN 35 1.586 5.573 -7.772 237 HG3 GLN 35 2HG GLN 35 2.276 4.102 -7.090 238 HE21 GLN 35 1HE2 GLN 35 0.012 4.766 -9.022 239 HE22 GLN 35 2HE2 GLN 35 -1.307 3.808 -8.449 240 H LEU 36 H LEU 36 1.548 2.044 -4.644 241 HA LEU 36 HA LEU 36 4.430 1.563 -4.804 242 HB2 LEU 36 1HB LEU 36 2.057 -0.082 -4.071 243 HB3 LEU 36 2HB LEU 36 3.496 -0.896 -4.682 244 HG LEU 36 HG LEU 36 3.465 0.924 -2.277 245 HD11 LEU 36 1HD1 LEU 36 3.098 -2.033 -2.552 246 HD12 LEU 36 2HD1 LEU 36 2.201 -0.882 -1.561 247 HD13 LEU 36 3HD1 LEU 36 3.841 -1.346 -1.107 248 HD21 LEU 36 3HD2 LEU 36 5.607 -0.820 -2.139 249 HD22 LEU 36 1HD2 LEU 36 5.671 0.885 -2.586 250 HD23 LEU 36 2HD2 LEU 36 5.552 -0.351 -3.839 251 H HIS 37 H HIS 37 5.333 1.346 -6.731 252 HA HIS 37 HA HIS 37 3.682 0.686 -9.043 253 HB2 HIS 37 1HB HIS 37 6.400 1.880 -8.662 254 HB3 HIS 37 2HB HIS 37 5.998 1.133 -10.205 255 HD1 HIS 37 1HD HIS 37 6.266 4.319 -9.058 256 HD2 HIS 37 2HD HIS 37 3.061 2.292 -10.756 257 HE1 HIS 37 1HE HIS 37 4.749 6.105 -9.972 258 HE2 HIS 37 2HE HIS 37 2.776 4.858 -10.919 259 H ALA 38 H ALA 38 3.367 -1.443 -9.282 260 HA ALA 38 HA ALA 38 5.743 -3.185 -9.238 261 HB1 ALA 38 3HB ALA 38 3.150 -4.456 -8.665 262 HB2 ALA 38 1HB ALA 38 4.738 -4.737 -7.951 263 HB3 ALA 38 2HB ALA 38 3.761 -3.369 -7.418 264 H THR 39 H THR 39 6.025 -3.011 -11.473 265 HA THR 39 HA THR 39 3.906 -4.266 -13.096 266 HB THR 39 HB THR 39 4.902 -3.032 -15.045 267 HG1 THR 39 1HG THR 39 6.250 -1.245 -14.522 268 HG21 THR 39 3HG2 THR 39 3.042 -2.203 -13.203 269 HG22 THR 39 1HG2 THR 39 3.366 -1.422 -14.750 270 HG23 THR 39 2HG2 THR 39 4.142 -0.827 -13.282 271 H ASP 40 H ASP 40 4.449 -6.279 -13.603 272 HA ASP 40 HA ASP 40 7.279 -6.874 -14.171 273 HB2 ASP 40 1HB ASP 40 6.800 -8.252 -12.376 274 HB3 ASP 40 2HB ASP 40 5.116 -8.459 -12.849 275 H ALA 41 H ALA 41 6.985 -6.178 -16.363 276 HA ALA 41 HA ALA 41 6.751 -6.613 -18.588 277 HB1 ALA 41 3HB ALA 41 7.469 -8.921 -17.819 278 HB2 ALA 41 1HB ALA 41 5.761 -9.358 -17.869 279 HB3 ALA 41 2HB ALA 41 6.582 -8.839 -19.341 280 H ASP 42 H ASP 42 4.761 -5.177 -17.525 281 HA ASP 42 HA ASP 42 2.184 -6.344 -18.092 282 HB2 ASP 42 1HB ASP 42 2.855 -4.472 -16.349 283 HB3 ASP 42 2HB ASP 42 2.556 -3.403 -17.717 284 H ILE 43 H ILE 43 3.663 -6.575 -20.349 285 HA ILE 43 HA ILE 43 3.103 -4.356 -22.126 286 HB ILE 43 HB ILE 43 3.989 -6.138 -23.848 287 HG12 ILE 43 1HG1 ILE 43 5.287 -7.165 -21.329 288 HG13 ILE 43 2HG1 ILE 43 3.853 -7.926 -22.010 289 HG21 ILE 43 1HG2 ILE 43 5.523 -4.553 -21.828 290 HG22 ILE 43 2HG2 ILE 43 6.369 -5.520 -23.036 291 HG23 ILE 43 3HG2 ILE 43 5.273 -4.234 -23.545 292 HD11 ILE 43 3HD1 ILE 43 5.361 -9.196 -23.071 293 HD12 ILE 43 1HD1 ILE 43 5.434 -7.834 -24.188 294 HD13 ILE 43 2HD1 ILE 43 6.643 -7.996 -22.914 295 H GLY 44 H GLY 44 1.033 -4.122 -22.717 296 HA2 GLY 44 1HA GLY 44 -0.864 -4.603 -23.958 297 HA3 GLY 44 2HA GLY 44 -0.213 -6.205 -24.269 298 H SER 45 H SER 45 -0.181 -7.657 -22.257 299 HA SER 45 HA SER 45 -2.807 -8.099 -21.430 300 HB2 SER 45 1HB SER 45 -0.184 -9.058 -20.275 301 HB3 SER 45 2HB SER 45 -1.754 -9.632 -19.712 302 HG SER 45 HG SER 45 -1.326 -11.054 -21.254 303 H ASN 46 H ASN 46 -3.849 -7.842 -19.424 304 HA ASN 46 HA ASN 46 -3.333 -5.357 -18.139 305 HB2 ASN 46 1HB ASN 46 -5.208 -7.590 -17.327 306 HB3 ASN 46 2HB ASN 46 -5.236 -5.946 -16.698 307 HD21 ASN 46 1HD2 ASN 46 -5.752 -4.228 -18.165 308 HD22 ASN 46 2HD2 ASN 46 -6.757 -4.539 -19.536 309 H ALA 47 H ALA 47 -3.739 -8.484 -16.499 310 HA ALA 47 HA ALA 47 -2.667 -9.431 -14.729 311 HB1 ALA 47 3HB ALA 47 -0.288 -9.281 -14.619 312 HB2 ALA 47 1HB ALA 47 -0.746 -9.288 -16.322 313 HB3 ALA 47 2HB ALA 47 -0.284 -7.777 -15.540 314 H GLU 48 H GLU 48 -4.063 -6.814 -14.477 315 HA GLU 48 HA GLU 48 -2.808 -5.040 -12.766 316 HB2 GLU 48 1HB GLU 48 -5.637 -5.806 -13.272 317 HB3 GLU 48 2HB GLU 48 -5.303 -4.864 -11.825 318 HG2 GLU 48 1HG GLU 48 -5.824 -3.282 -13.452 319 HG3 GLU 48 2HG GLU 48 -4.064 -3.253 -13.355 320 H ILE 49 H ILE 49 -1.479 -6.227 -11.343 321 HA ILE 49 HA ILE 49 -2.194 -8.272 -9.645 322 HB ILE 49 HB ILE 49 -0.317 -5.995 -8.999 323 HG12 ILE 49 1HG1 ILE 49 0.519 -8.696 -9.999 324 HG13 ILE 49 2HG1 ILE 49 -0.004 -7.465 -11.143 325 HG21 ILE 49 1HG2 ILE 49 0.245 -7.038 -7.109 326 HG22 ILE 49 2HG2 ILE 49 -1.240 -7.965 -7.313 327 HG23 ILE 49 3HG2 ILE 49 0.292 -8.615 -7.895 328 HD11 ILE 49 3HD1 ILE 49 2.518 -7.774 -9.816 329 HD12 ILE 49 1HD1 ILE 49 2.067 -6.694 -11.135 330 HD13 ILE 49 2HD1 ILE 49 1.822 -6.192 -9.462 331 H ARG 50 H ARG 50 -3.529 -8.471 -7.973 332 HA ARG 50 HA ARG 50 -4.955 -6.151 -6.999 333 HB2 ARG 50 1HB ARG 50 -5.233 -8.984 -6.006 334 HB3 ARG 50 2HB ARG 50 -6.415 -7.684 -5.917 335 HG2 ARG 50 1HG ARG 50 -5.502 -8.554 -8.604 336 HG3 ARG 50 2HG ARG 50 -6.593 -9.612 -7.706 337 HD2 ARG 50 1HD ARG 50 -7.109 -6.692 -8.245 338 HD3 ARG 50 2HD ARG 50 -7.747 -8.011 -9.225 339 HE ARG 50 HE ARG 50 -8.471 -8.511 -6.587 340 HH11 ARG 50 1HH1 ARG 50 -9.083 -6.129 -9.052 341 HH12 ARG 50 2HH1 ARG 50 -10.666 -5.739 -8.465 342 HH21 ARG 50 1HH2 ARG 50 -10.553 -8.005 -5.805 343 HH22 ARG 50 2HH2 ARG 50 -11.500 -6.806 -6.617 344 H TYR 51 H TYR 51 -4.181 -4.946 -5.407 345 HA TYR 51 HA TYR 51 -2.224 -6.040 -3.555 346 HB2 TYR 51 1HB TYR 51 -3.303 -3.220 -3.721 347 HB3 TYR 51 2HB TYR 51 -1.872 -3.751 -2.846 348 HD1 TYR 51 2HD TYR 51 0.190 -4.270 -4.028 349 HD2 TYR 51 1HD TYR 51 -3.268 -2.967 -6.136 350 HE1 TYR 51 2HE TYR 51 1.574 -3.827 -6.012 351 HE2 TYR 51 1HE TYR 51 -1.894 -2.521 -8.127 352 HH TYR 51 HH TYR 51 1.586 -2.671 -8.027 353 H ILE 52 H ILE 52 -2.959 -7.084 -1.830 354 HA ILE 52 HA ILE 52 -5.437 -6.148 -0.550 355 HB ILE 52 HB ILE 52 -5.618 -8.336 0.475 356 HG12 ILE 52 1HG1 ILE 52 -3.179 -9.201 -1.072 357 HG13 ILE 52 2HG1 ILE 52 -3.079 -8.637 0.592 358 HG21 ILE 52 1HG2 ILE 52 -6.356 -9.474 -1.385 359 HG22 ILE 52 2HG2 ILE 52 -6.270 -7.824 -1.999 360 HG23 ILE 52 3HG2 ILE 52 -4.983 -8.970 -2.371 361 HD11 ILE 52 3HD1 ILE 52 -5.080 -10.725 0.115 362 HD12 ILE 52 1HD1 ILE 52 -3.405 -11.214 -0.140 363 HD13 ILE 52 2HD1 ILE 52 -3.902 -10.548 1.416 364 H PHE 53 H PHE 53 -5.538 -6.121 1.778 365 HA PHE 53 HA PHE 53 -3.266 -4.887 2.952 366 HB2 PHE 53 1HB PHE 53 -5.968 -5.720 3.941 367 HB3 PHE 53 2HB PHE 53 -4.734 -5.237 5.099 368 HD1 PHE 53 2HD PHE 53 -3.580 -2.954 4.643 369 HD2 PHE 53 1HD PHE 53 -7.320 -4.121 2.980 370 HE1 PHE 53 2HE PHE 53 -4.140 -0.590 4.252 371 HE2 PHE 53 1HE PHE 53 -7.886 -1.759 2.585 372 HZ PHE 53 HZ PHE 53 -6.295 0.010 3.223 373 H GLY 54 H GLY 54 -1.823 -5.630 4.473 374 HA2 GLY 54 1HA GLY 54 -1.031 -8.307 4.358 375 HA3 GLY 54 2HA GLY 54 -0.512 -7.154 5.579 376 H ALA 55 H ALA 55 -0.517 -9.113 6.942 377 HA ALA 55 HA ALA 55 -3.196 -9.952 7.791 378 HB1 ALA 55 3HB ALA 55 -2.324 -11.971 8.105 379 HB2 ALA 55 1HB ALA 55 -0.830 -11.372 7.383 380 HB3 ALA 55 2HB ALA 55 -1.047 -11.323 9.133 381 H GLN 56 H GLN 56 -3.657 -10.123 10.087 382 HA GLN 56 HA GLN 56 -3.928 -9.129 12.119 383 HB2 GLN 56 1HB GLN 56 -0.947 -9.303 11.825 384 HB3 GLN 56 2HB GLN 56 -1.656 -8.563 13.254 385 HG2 GLN 56 1HG GLN 56 -2.411 -11.318 12.339 386 HG3 GLN 56 2HG GLN 56 -1.037 -11.016 13.401 387 HE21 GLN 56 1HE2 GLN 56 -4.493 -10.998 13.103 388 HE22 GLN 56 2HE2 GLN 56 -4.843 -10.834 14.787 389 H VAL 57 H VAL 57 -4.595 -7.365 10.277 390 HA VAL 57 HA VAL 57 -3.241 -4.859 11.038 391 HB VAL 57 HB VAL 57 -4.844 -5.408 8.537 392 HG11 VAL 57 1HG1 VAL 57 -4.767 -3.224 8.054 393 HG12 VAL 57 2HG1 VAL 57 -4.431 -2.998 9.772 394 HG13 VAL 57 3HG1 VAL 57 -3.102 -3.066 8.614 395 HG21 VAL 57 3HG2 VAL 57 -1.889 -5.315 9.067 396 HG22 VAL 57 1HG2 VAL 57 -2.829 -6.578 8.273 397 HG23 VAL 57 2HG2 VAL 57 -2.558 -5.037 7.459 398 H ALA 58 H ALA 58 -4.378 -3.379 12.116 399 HA ALA 58 HA ALA 58 -6.894 -3.878 13.193 400 HB1 ALA 58 3HB ALA 58 -6.899 -1.485 13.822 401 HB2 ALA 58 1HB ALA 58 -5.388 -2.304 14.217 402 HB3 ALA 58 2HB ALA 58 -5.477 -1.246 12.808 403 HA PRO 59 HA PRO 59 -9.797 -2.863 10.054 404 HB2 PRO 59 1HB PRO 59 -11.867 -1.973 11.568 405 HB3 PRO 59 2HB PRO 59 -11.412 -3.678 11.469 406 HG2 PRO 59 1HG PRO 59 -10.760 -1.664 13.585 407 HG3 PRO 59 2HG PRO 59 -11.268 -3.353 13.767 408 HD2 PRO 59 1HD PRO 59 -8.683 -2.577 13.988 409 HD3 PRO 59 2HD PRO 59 -9.153 -4.166 13.349 410 H ALA 60 H ALA 60 -9.462 -0.402 12.606 411 HA ALA 60 HA ALA 60 -10.575 1.777 11.371 412 HB1 ALA 60 3HB ALA 60 -9.296 3.152 12.815 413 HB2 ALA 60 1HB ALA 60 -9.604 1.654 13.693 414 HB3 ALA 60 2HB ALA 60 -8.025 1.938 12.960 415 H THR 61 H THR 61 -7.276 0.539 10.971 416 HA THR 61 HA THR 61 -6.279 2.556 9.321 417 HB THR 61 HB THR 61 -5.561 -0.380 9.218 418 HG1 THR 61 1HG THR 61 -3.769 0.618 10.608 419 HG21 THR 61 3HG2 THR 61 -4.630 0.704 7.320 420 HG22 THR 61 1HG2 THR 61 -3.329 0.571 8.503 421 HG23 THR 61 2HG2 THR 61 -4.156 2.112 8.270 422 H LYS 62 H LYS 62 -8.104 -0.363 8.528 423 HA LYS 62 HA LYS 62 -7.890 -0.099 5.712 424 HB2 LYS 62 1HB LYS 62 -9.757 -1.618 7.518 425 HB3 LYS 62 2HB LYS 62 -9.968 -1.622 5.772 426 HG2 LYS 62 1HG LYS 62 -8.701 -3.489 5.991 427 HG3 LYS 62 2HG LYS 62 -7.410 -2.295 5.831 428 HD2 LYS 62 1HD LYS 62 -6.825 -2.431 8.041 429 HD3 LYS 62 2HD LYS 62 -8.452 -2.885 8.555 430 HE2 LYS 62 1HE LYS 62 -6.713 -4.696 8.730 431 HE3 LYS 62 2HE LYS 62 -8.159 -5.117 7.813 432 HZ1 LYS 62 3HZ LYS 62 -5.530 -4.321 6.684 433 HZ2 LYS 62 1HZ LYS 62 -6.922 -4.620 5.770 434 HZ3 LYS 62 2HZ LYS 62 -6.208 -5.871 6.657 435 H ARG 63 H ARG 63 -10.271 0.990 8.082 436 HA ARG 63 HA ARG 63 -12.137 1.983 6.185 437 HB2 ARG 63 1HB ARG 63 -11.743 2.209 9.124 438 HB3 ARG 63 2HB ARG 63 -12.750 3.426 8.349 439 HG2 ARG 63 1HG ARG 63 -14.265 1.771 7.547 440 HG3 ARG 63 2HG ARG 63 -13.190 0.466 8.052 441 HD2 ARG 63 1HD ARG 63 -14.759 0.504 9.753 442 HD3 ARG 63 2HD ARG 63 -13.458 1.492 10.415 443 HE ARG 63 HE ARG 63 -14.939 3.213 10.506 444 HH11 ARG 63 1HH1 ARG 63 -15.969 1.022 8.004 445 HH12 ARG 63 2HH1 ARG 63 -17.402 1.920 7.627 446 HH21 ARG 63 1HH2 ARG 63 -16.822 4.404 10.018 447 HH22 ARG 63 2HH2 ARG 63 -17.886 3.844 8.772 448 H LEU 64 H LEU 64 -10.036 3.798 8.429 449 HA LEU 64 HA LEU 64 -10.373 6.303 7.324 450 HB2 LEU 64 1HB LEU 64 -7.836 5.213 8.531 451 HB3 LEU 64 2HB LEU 64 -8.266 6.914 8.367 452 HG LEU 64 HG LEU 64 -9.962 5.051 9.993 453 HD11 LEU 64 1HD1 LEU 64 -8.686 5.477 11.939 454 HD12 LEU 64 2HD1 LEU 64 -7.654 6.633 11.097 455 HD13 LEU 64 3HD1 LEU 64 -7.550 4.915 10.711 456 HD21 LEU 64 3HD2 LEU 64 -10.872 6.960 10.886 457 HD22 LEU 64 1HD2 LEU 64 -10.517 7.502 9.245 458 HD23 LEU 64 2HD2 LEU 64 -9.432 7.928 10.569 459 H PHE 65 H PHE 65 -7.871 3.902 6.531 460 HA PHE 65 HA PHE 65 -7.183 5.482 4.153 461 HB2 PHE 65 1HB PHE 65 -5.673 3.211 5.464 462 HB3 PHE 65 2HB PHE 65 -5.124 4.138 4.071 463 HD1 PHE 65 1HD PHE 65 -4.352 6.424 4.321 464 HD2 PHE 65 2HD PHE 65 -5.615 4.140 7.684 465 HE1 PHE 65 1HE PHE 65 -3.290 8.056 5.825 466 HE2 PHE 65 2HE PHE 65 -4.556 5.769 9.193 467 HZ PHE 65 HZ PHE 65 -3.392 7.730 8.264 468 H ALA 66 H ALA 66 -7.887 4.840 2.234 469 HA ALA 66 HA ALA 66 -9.000 2.144 1.964 470 HB1 ALA 66 3HB ALA 66 -10.649 3.260 0.974 471 HB2 ALA 66 1HB ALA 66 -9.697 4.743 0.916 472 HB3 ALA 66 2HB ALA 66 -9.548 3.548 -0.373 473 H LEU 67 H LEU 67 -8.018 0.617 0.806 474 HA LEU 67 HA LEU 67 -5.735 1.408 -0.876 475 HB2 LEU 67 1HB LEU 67 -4.942 0.043 0.862 476 HB3 LEU 67 2HB LEU 67 -6.305 -1.066 0.723 477 HG LEU 67 HG LEU 67 -5.382 -1.789 -1.490 478 HD11 LEU 67 1HD1 LEU 67 -3.512 0.348 -0.871 479 HD12 LEU 67 2HD1 LEU 67 -3.854 -0.452 -2.405 480 HD13 LEU 67 3HD1 LEU 67 -2.709 -1.170 -1.272 481 HD21 LEU 67 3HD2 LEU 67 -3.948 -2.187 1.102 482 HD22 LEU 67 1HD2 LEU 67 -3.338 -2.943 -0.370 483 HD23 LEU 67 2HD2 LEU 67 -4.967 -3.309 0.198 484 H ASN 68 H ASN 68 -5.930 1.154 -2.996 485 HA ASN 68 HA ASN 68 -8.215 -0.285 -4.064 486 HB2 ASN 68 1HB ASN 68 -6.200 1.629 -5.186 487 HB3 ASN 68 2HB ASN 68 -7.129 0.609 -6.281 488 HD21 ASN 68 1HD2 ASN 68 -7.376 3.282 -6.476 489 HD22 ASN 68 2HD2 ASN 68 -8.921 3.793 -5.897 490 H ASN 69 H ASN 69 -8.117 -2.047 -5.433 491 HA ASN 69 HA ASN 69 -5.594 -3.542 -5.337 492 HB2 ASN 69 1HB ASN 69 -8.310 -4.615 -6.106 493 HB3 ASN 69 2HB ASN 69 -6.881 -5.532 -5.638 494 HD21 ASN 69 1HD2 ASN 69 -6.589 -6.025 -3.561 495 HD22 ASN 69 2HD2 ASN 69 -7.570 -5.453 -2.259 496 H THR 70 H THR 70 -7.328 -1.613 -7.410 497 HA THR 70 HA THR 70 -6.407 -3.038 -9.811 498 HB THR 70 HB THR 70 -7.915 -1.559 -11.079 499 HG1 THR 70 1HG THR 70 -7.785 0.074 -9.203 500 HG21 THR 70 3HG2 THR 70 -9.643 -2.951 -10.739 501 HG22 THR 70 1HG2 THR 70 -9.799 -2.490 -9.044 502 HG23 THR 70 2HG2 THR 70 -8.615 -3.707 -9.522 503 H THR 71 H THR 71 -5.963 -0.175 -7.919 504 HA THR 71 HA THR 71 -4.092 0.869 -9.944 505 HB THR 71 HB THR 71 -4.388 3.092 -8.895 506 HG1 THR 71 1HG THR 71 -5.082 2.515 -6.834 507 HG21 THR 71 3HG2 THR 71 -7.075 3.006 -9.448 508 HG22 THR 71 1HG2 THR 71 -6.460 1.605 -10.324 509 HG23 THR 71 2HG2 THR 71 -5.793 3.206 -10.642 510 H GLY 72 H GLY 72 -4.493 -0.245 -6.706 511 HA2 GLY 72 1HA GLY 72 -2.974 -0.662 -5.036 512 HA3 GLY 72 2HA GLY 72 -1.723 -0.494 -6.259 513 H LEU 73 H LEU 73 -4.031 1.987 -5.279 514 HA LEU 73 HA LEU 73 -1.774 3.543 -4.198 515 HB2 LEU 73 1HB LEU 73 -2.406 4.587 -6.214 516 HB3 LEU 73 2HB LEU 73 -4.123 4.404 -5.859 517 HG LEU 73 HG LEU 73 -3.879 6.075 -4.044 518 HD11 LEU 73 1HD1 LEU 73 -1.085 5.708 -4.662 519 HD12 LEU 73 2HD1 LEU 73 -1.839 6.497 -3.278 520 HD13 LEU 73 3HD1 LEU 73 -1.547 7.407 -4.760 521 HD21 LEU 73 3HD2 LEU 73 -3.099 6.876 -6.841 522 HD22 LEU 73 1HD2 LEU 73 -3.531 8.029 -5.578 523 HD23 LEU 73 2HD2 LEU 73 -4.715 6.846 -6.135 524 H ILE 74 H ILE 74 -1.971 4.281 -2.178 525 HA ILE 74 HA ILE 74 -4.493 3.796 -0.779 526 HB ILE 74 HB ILE 74 -1.721 4.394 0.252 527 HG12 ILE 74 1HG1 ILE 74 -3.419 1.936 0.679 528 HG13 ILE 74 2HG1 ILE 74 -2.296 2.088 -0.668 529 HG21 ILE 74 1HG2 ILE 74 -2.869 3.781 2.491 530 HG22 ILE 74 2HG2 ILE 74 -3.047 5.415 1.854 531 HG23 ILE 74 3HG2 ILE 74 -4.354 4.247 1.663 532 HD11 ILE 74 3HD1 ILE 74 -1.281 0.845 1.126 533 HD12 ILE 74 1HD1 ILE 74 -0.459 2.393 0.934 534 HD13 ILE 74 2HD1 ILE 74 -1.601 2.159 2.258 535 H THR 75 H THR 75 -5.847 5.394 -0.335 536 HA THR 75 HA THR 75 -4.792 8.141 -0.177 537 HB THR 75 HB THR 75 -6.931 8.945 -1.147 538 HG1 THR 75 1HG THR 75 -7.454 6.350 -2.095 539 HG21 THR 75 3HG2 THR 75 -5.102 7.159 -2.706 540 HG22 THR 75 1HG2 THR 75 -5.236 8.916 -2.732 541 HG23 THR 75 2HG2 THR 75 -6.477 7.926 -3.499 542 H VAL 76 H VAL 76 -6.298 9.640 0.992 543 HA VAL 76 HA VAL 76 -7.066 8.424 3.493 544 HB VAL 76 HB VAL 76 -7.082 11.283 2.537 545 HG11 VAL 76 1HG1 VAL 76 -7.594 11.870 4.902 546 HG12 VAL 76 2HG1 VAL 76 -8.925 11.076 4.058 547 HG13 VAL 76 3HG1 VAL 76 -7.937 10.167 5.203 548 HG21 VAL 76 3HG2 VAL 76 -5.474 11.098 4.748 549 HG22 VAL 76 1HG2 VAL 76 -5.195 9.554 3.942 550 HG23 VAL 76 2HG2 VAL 76 -4.918 11.064 3.074 551 H GLN 77 H GLN 77 -8.971 7.434 3.644 552 HA GLN 77 HA GLN 77 -11.213 8.204 1.999 553 HB2 GLN 77 1HB GLN 77 -10.765 5.838 2.491 554 HB3 GLN 77 2HB GLN 77 -11.017 6.145 4.205 555 HG2 GLN 77 1HG GLN 77 -13.346 7.021 3.385 556 HG3 GLN 77 2HG GLN 77 -12.997 6.001 1.991 557 HE21 GLN 77 1HE2 GLN 77 -12.090 3.770 2.706 558 HE22 GLN 77 2HE2 GLN 77 -13.009 2.975 3.935 559 H ARG 78 H ARG 78 -10.213 8.547 5.342 560 HA ARG 78 HA ARG 78 -12.363 10.483 5.744 561 HB2 ARG 78 1HB ARG 78 -11.823 8.177 7.624 562 HB3 ARG 78 2HB ARG 78 -12.902 9.524 7.961 563 HG2 ARG 78 1HG ARG 78 -14.219 8.850 5.935 564 HG3 ARG 78 2HG ARG 78 -13.222 7.396 5.863 565 HD2 ARG 78 1HD ARG 78 -15.229 6.840 7.025 566 HD3 ARG 78 2HD ARG 78 -13.924 6.898 8.209 567 HE ARG 78 HE ARG 78 -15.062 9.409 8.208 568 HH11 ARG 78 1HH1 ARG 78 -16.103 6.148 8.843 569 HH12 ARG 78 2HH1 ARG 78 -17.312 6.618 9.991 570 HH21 ARG 78 1HH2 ARG 78 -16.650 10.041 9.718 571 HH22 ARG 78 2HH2 ARG 78 -17.623 8.833 10.488 572 H SER 79 H SER 79 -12.015 11.836 7.666 573 HA SER 79 HA SER 79 -9.503 12.966 7.760 574 HB2 SER 79 1HB SER 79 -11.728 13.878 8.670 575 HB3 SER 79 2HB SER 79 -11.346 12.992 10.146 576 HG SER 79 HG SER 79 -10.621 15.212 10.123 577 H LEU 80 H LEU 80 -7.705 12.768 9.043 578 HA LEU 80 HA LEU 80 -7.449 10.229 10.462 579 HB2 LEU 80 1HB LEU 80 -5.294 12.233 9.825 580 HB3 LEU 80 2HB LEU 80 -5.082 10.559 10.334 581 HG LEU 80 HG LEU 80 -6.458 11.218 7.753 582 HD11 LEU 80 1HD1 LEU 80 -3.670 10.500 7.461 583 HD12 LEU 80 2HD1 LEU 80 -3.871 12.033 8.308 584 HD13 LEU 80 3HD1 LEU 80 -4.585 11.808 6.711 585 HD21 LEU 80 3HD2 LEU 80 -6.695 8.955 8.404 586 HD22 LEU 80 1HD2 LEU 80 -5.000 8.838 8.877 587 HD23 LEU 80 2HD2 LEU 80 -5.432 8.985 7.173 588 H ASP 81 H ASP 81 -6.526 10.100 12.564 589 HA ASP 81 HA ASP 81 -6.670 12.587 14.132 590 HB2 ASP 81 1HB ASP 81 -7.592 9.922 15.199 591 HB3 ASP 81 2HB ASP 81 -7.855 11.521 15.889 592 H ARG 82 H ARG 82 -4.872 12.991 15.230 593 HA ARG 82 HA ARG 82 -2.773 11.014 15.343 594 HB2 ARG 82 1HB ARG 82 -2.996 13.919 16.040 595 HB3 ARG 82 2HB ARG 82 -1.635 12.982 16.642 596 HG2 ARG 82 1HG ARG 82 -1.412 12.280 14.125 597 HG3 ARG 82 2HG ARG 82 -2.310 13.776 13.858 598 HD2 ARG 82 1HD ARG 82 0.273 13.516 15.394 599 HD3 ARG 82 2HD ARG 82 0.111 14.138 13.752 600 HE ARG 82 HE ARG 82 -1.535 15.745 15.144 601 HH11 ARG 82 1HH1 ARG 82 1.761 14.747 15.657 602 HH12 ARG 82 2HH1 ARG 82 2.218 16.215 16.457 603 HH21 ARG 82 1HH2 ARG 82 -0.945 17.681 16.197 604 HH22 ARG 82 2HH2 ARG 82 0.678 17.882 16.765 605 H GLU 83 H GLU 83 -4.899 12.675 17.621 606 HA GLU 83 HA GLU 83 -3.870 12.058 20.046 607 HB2 GLU 83 1HB GLU 83 -6.767 11.791 19.225 608 HB3 GLU 83 2HB GLU 83 -6.199 11.865 20.887 609 HG2 GLU 83 1HG GLU 83 -5.579 14.045 18.931 610 HG3 GLU 83 2HG GLU 83 -7.104 14.002 19.814 611 H GLU 84 H GLU 84 -5.704 9.845 17.970 612 HA GLU 84 HA GLU 84 -5.516 7.659 19.816 613 HB2 GLU 84 1HB GLU 84 -7.355 7.954 18.129 614 HB3 GLU 84 2HB GLU 84 -6.191 7.550 16.874 615 HG2 GLU 84 1HG GLU 84 -5.970 5.345 17.630 616 HG3 GLU 84 2HG GLU 84 -6.732 5.710 19.177 617 H THR 85 H THR 85 -4.201 8.077 16.524 618 HA THR 85 HA THR 85 -1.730 6.765 17.398 619 HB THR 85 HB THR 85 -2.998 4.950 16.438 620 HG1 THR 85 1HG THR 85 -0.942 4.678 15.804 621 HG21 THR 85 3HG2 THR 85 -3.260 6.631 13.943 622 HG22 THR 85 1HG2 THR 85 -4.556 6.347 15.104 623 HG23 THR 85 2HG2 THR 85 -3.882 4.999 14.187 624 H ALA 86 H ALA 86 0.092 7.545 16.457 625 HA ALA 86 HA ALA 86 -0.239 9.840 14.676 626 HB1 ALA 86 3HB ALA 86 1.522 10.738 15.709 627 HB2 ALA 86 1HB ALA 86 1.355 9.435 16.886 628 HB3 ALA 86 2HB ALA 86 2.478 9.266 15.536 629 H ILE 87 H ILE 87 1.472 6.747 14.867 630 HA ILE 87 HA ILE 87 2.260 7.048 12.051 631 HB ILE 87 HB ILE 87 3.262 4.904 13.907 632 HG12 ILE 87 1HG1 ILE 87 3.653 7.205 14.863 633 HG13 ILE 87 2HG1 ILE 87 5.115 6.283 14.533 634 HG21 ILE 87 1HG2 ILE 87 3.969 4.282 11.838 635 HG22 ILE 87 2HG2 ILE 87 3.951 5.931 11.215 636 HG23 ILE 87 3HG2 ILE 87 5.279 5.391 12.242 637 HD11 ILE 87 3HD1 ILE 87 5.796 8.184 13.573 638 HD12 ILE 87 1HD1 ILE 87 4.828 7.628 12.208 639 HD13 ILE 87 2HD1 ILE 87 4.152 8.785 13.355 640 H HIS 88 H HIS 88 1.657 5.577 10.517 641 HA HIS 88 HA HIS 88 -0.165 3.428 11.377 642 HB2 HIS 88 1HB HIS 88 -0.479 5.452 9.187 643 HB3 HIS 88 2HB HIS 88 -1.232 3.868 9.028 644 HD1 HIS 88 1HD HIS 88 -2.900 3.234 11.094 645 HD2 HIS 88 2HD HIS 88 -1.950 7.247 10.593 646 HE1 HIS 88 1HE HIS 88 -4.657 4.504 12.368 647 HE2 HIS 88 2HE HIS 88 -4.111 6.932 11.980 648 H LYS 89 H LYS 89 0.709 1.521 10.951 649 HA LYS 89 HA LYS 89 2.594 1.271 8.719 650 HB2 LYS 89 1HB LYS 89 2.192 -0.159 11.293 651 HB3 LYS 89 2HB LYS 89 2.794 -1.106 9.939 652 HG2 LYS 89 1HG LYS 89 4.604 -0.236 11.331 653 HG3 LYS 89 2HG LYS 89 4.677 0.396 9.685 654 HD2 LYS 89 1HD LYS 89 5.001 2.334 10.849 655 HD3 LYS 89 2HD LYS 89 3.238 2.343 10.757 656 HE2 LYS 89 1HE LYS 89 4.518 0.958 13.055 657 HE3 LYS 89 2HE LYS 89 4.527 2.721 13.041 658 HZ1 LYS 89 3HZ LYS 89 1.971 2.094 12.381 659 HZ2 LYS 89 1HZ LYS 89 2.504 2.549 13.921 660 HZ3 LYS 89 2HZ LYS 89 2.356 0.911 13.527 661 H VAL 90 H VAL 90 1.669 0.699 6.862 662 HA VAL 90 HA VAL 90 -0.460 -1.340 6.929 663 HB VAL 90 HB VAL 90 -0.000 0.827 4.874 664 HG11 VAL 90 1HG1 VAL 90 -1.978 0.019 3.764 665 HG12 VAL 90 2HG1 VAL 90 -0.825 -1.308 3.917 666 HG13 VAL 90 3HG1 VAL 90 -2.214 -1.216 5.000 667 HG21 VAL 90 3HG2 VAL 90 -2.071 1.777 5.664 668 HG22 VAL 90 1HG2 VAL 90 -2.289 0.446 6.800 669 HG23 VAL 90 2HG2 VAL 90 -0.966 1.589 7.025 670 H THR 91 H THR 91 0.032 -3.243 6.075 671 HA THR 91 HA THR 91 2.419 -3.459 4.383 672 HB THR 91 HB THR 91 0.886 -5.721 5.670 673 HG1 THR 91 1HG THR 91 2.767 -5.595 7.172 674 HG21 THR 91 3HG2 THR 91 2.211 -6.810 4.180 675 HG22 THR 91 1HG2 THR 91 3.417 -6.583 5.445 676 HG23 THR 91 2HG2 THR 91 3.365 -5.481 4.069 677 H VAL 92 H VAL 92 2.279 -3.926 2.283 678 HA VAL 92 HA VAL 92 -0.353 -4.689 1.209 679 HB VAL 92 HB VAL 92 1.954 -3.370 -0.229 680 HG11 VAL 92 1HG1 VAL 92 -0.423 -3.016 -1.648 681 HG12 VAL 92 2HG1 VAL 92 0.937 -4.052 -2.085 682 HG13 VAL 92 3HG1 VAL 92 -0.417 -4.712 -1.167 683 HG21 VAL 92 3HG2 VAL 92 -0.385 -2.312 1.235 684 HG22 VAL 92 1HG2 VAL 92 1.202 -1.594 0.957 685 HG23 VAL 92 2HG2 VAL 92 -0.019 -1.556 -0.315 686 H LEU 93 H LEU 93 -0.583 -6.473 -0.047 687 HA LEU 93 HA LEU 93 1.832 -8.097 -0.512 688 HB2 LEU 93 1HB LEU 93 -0.966 -9.074 0.038 689 HB3 LEU 93 2HB LEU 93 0.449 -10.085 -0.249 690 HG LEU 93 HG LEU 93 0.335 -8.181 2.070 691 HD11 LEU 93 1HD1 LEU 93 -0.265 -10.402 3.317 692 HD12 LEU 93 2HD1 LEU 93 -0.979 -10.839 1.765 693 HD13 LEU 93 3HD1 LEU 93 -1.533 -9.396 2.615 694 HD21 LEU 93 3HD2 LEU 93 2.353 -9.003 2.481 695 HD22 LEU 93 1HD2 LEU 93 2.253 -9.978 1.015 696 HD23 LEU 93 2HD2 LEU 93 1.691 -10.637 2.551 697 H ALA 94 H ALA 94 2.309 -8.238 -2.593 698 HA ALA 94 HA ALA 94 0.153 -7.996 -4.573 699 HB1 ALA 94 3HB ALA 94 2.027 -7.573 -6.182 700 HB2 ALA 94 1HB ALA 94 1.856 -6.366 -4.907 701 HB3 ALA 94 2HB ALA 94 3.127 -7.584 -4.803 702 H SER 95 H SER 95 -0.478 -9.712 -5.702 703 HA SER 95 HA SER 95 1.366 -11.984 -5.990 704 HB2 SER 95 1HB SER 95 -0.467 -12.255 -4.172 705 HB3 SER 95 2HB SER 95 -1.575 -12.426 -5.534 706 HG SER 95 HG SER 95 0.670 -13.951 -5.804 707 H ASP 96 H ASP 96 1.441 -12.864 -7.975 708 HA ASP 96 HA ASP 96 -0.637 -12.095 -9.913 709 HB2 ASP 96 1HB ASP 96 1.178 -11.948 -11.638 710 HB3 ASP 96 2HB ASP 96 1.255 -10.696 -10.401 711 H GLY 97 H GLY 97 -1.118 -14.383 -8.834 712 HA2 GLY 97 1HA GLY 97 -1.501 -16.595 -9.329 713 HA3 GLY 97 2HA GLY 97 -0.825 -16.280 -10.920 714 H SER 98 H SER 98 0.552 -16.195 -7.635 715 HA SER 98 HA SER 98 2.291 -18.432 -8.274 716 HB2 SER 98 1HB SER 98 3.234 -15.612 -8.057 717 HB3 SER 98 2HB SER 98 4.241 -16.872 -7.345 718 HG SER 98 HG SER 98 4.080 -17.934 -9.445 719 H SER 99 H SER 99 3.998 -18.479 -6.252 720 HA SER 99 HA SER 99 2.448 -19.242 -4.043 721 HB2 SER 99 1HB SER 99 4.829 -19.980 -4.672 722 HB3 SER 99 2HB SER 99 5.368 -18.513 -3.855 723 HG SER 99 HG SER 99 5.301 -20.412 -2.501 724 H THR 100 H THR 100 3.418 -18.319 -1.755 725 HA THR 100 HA THR 100 2.040 -16.171 -1.004 726 HB THR 100 HB THR 100 4.901 -16.513 -0.096 727 HG1 THR 100 1HG THR 100 4.179 -18.452 0.422 728 HG21 THR 100 3HG2 THR 100 2.579 -15.694 1.609 729 HG22 THR 100 1HG2 THR 100 3.404 -14.503 0.604 730 HG23 THR 100 2HG2 THR 100 4.300 -15.385 1.842 731 HA PRO 101 HA PRO 101 3.469 -12.758 -3.449 732 HB2 PRO 101 1HB PRO 101 2.060 -10.829 -2.159 733 HB3 PRO 101 2HB PRO 101 1.320 -11.960 -3.298 734 HG2 PRO 101 1HG PRO 101 1.361 -12.040 -0.305 735 HG3 PRO 101 2HG PRO 101 0.018 -12.370 -1.415 736 HD2 PRO 101 1HD PRO 101 1.461 -14.341 -0.246 737 HD3 PRO 101 2HD PRO 101 0.750 -14.509 -1.864 738 H ALA 102 H ALA 102 4.471 -10.598 -3.070 739 HA ALA 102 HA ALA 102 6.595 -10.810 -1.194 740 HB1 ALA 102 3HB ALA 102 6.557 -8.171 -2.035 741 HB2 ALA 102 1HB ALA 102 7.455 -9.498 -2.772 742 HB3 ALA 102 2HB ALA 102 5.859 -9.065 -3.385 743 H ARG 103 H ARG 103 7.123 -8.748 0.174 744 HA ARG 103 HA ARG 103 4.722 -7.786 1.555 745 HB2 ARG 103 1HB ARG 103 7.135 -8.964 2.947 746 HB3 ARG 103 2HB ARG 103 5.754 -8.219 3.741 747 HG2 ARG 103 1HG ARG 103 4.344 -10.001 2.583 748 HG3 ARG 103 2HG ARG 103 5.874 -10.813 2.245 749 HD2 ARG 103 1HD ARG 103 5.135 -9.941 5.019 750 HD3 ARG 103 2HD ARG 103 4.587 -11.483 4.363 751 HE ARG 103 HE ARG 103 7.270 -10.787 5.176 752 HH11 ARG 103 1HH1 ARG 103 5.264 -12.960 3.340 753 HH12 ARG 103 2HH1 ARG 103 6.426 -14.246 3.346 754 HH21 ARG 103 1HH2 ARG 103 8.808 -12.472 5.191 755 HH22 ARG 103 2HH2 ARG 103 8.441 -13.967 4.400 756 H ALA 104 H ALA 104 4.821 -5.699 2.183 757 HA ALA 104 HA ALA 104 7.397 -4.352 2.378 758 HB1 ALA 104 3HB ALA 104 7.228 -3.038 0.570 759 HB2 ALA 104 1HB ALA 104 6.107 -4.266 -0.018 760 HB3 ALA 104 2HB ALA 104 5.490 -2.815 0.772 761 H THR 105 H THR 105 7.356 -3.220 4.195 762 HA THR 105 HA THR 105 4.803 -2.445 5.366 763 HB THR 105 HB THR 105 7.609 -2.334 6.486 764 HG1 THR 105 1HG THR 105 6.589 -4.000 7.885 765 HG21 THR 105 3HG2 THR 105 6.265 -0.561 7.461 766 HG22 THR 105 1HG2 THR 105 6.509 -1.847 8.642 767 HG23 THR 105 2HG2 THR 105 4.965 -1.702 7.802 768 H VAL 106 H VAL 106 3.983 -0.503 4.984 769 HA VAL 106 HA VAL 106 5.776 1.678 4.187 770 HB VAL 106 HB VAL 106 2.784 1.380 3.908 771 HG11 VAL 106 1HG1 VAL 106 4.595 3.714 3.448 772 HG12 VAL 106 2HG1 VAL 106 3.149 3.502 2.459 773 HG13 VAL 106 3HG1 VAL 106 3.006 3.663 4.210 774 HG21 VAL 106 3HG2 VAL 106 4.096 0.036 2.343 775 HG22 VAL 106 1HG2 VAL 106 3.262 1.349 1.511 776 HG23 VAL 106 2HG2 VAL 106 4.988 1.474 1.848 777 H THR 107 H THR 107 6.396 3.003 5.753 778 HA THR 107 HA THR 107 4.782 3.304 8.156 779 HB THR 107 HB THR 107 7.401 4.695 7.640 780 HG1 THR 107 1HG THR 107 8.218 2.741 7.489 781 HG21 THR 107 3HG2 THR 107 7.443 4.023 10.219 782 HG22 THR 107 1HG2 THR 107 5.696 4.067 9.989 783 HG23 THR 107 2HG2 THR 107 6.667 5.499 9.645 784 H ILE 108 H ILE 108 3.341 4.876 8.355 785 HA ILE 108 HA ILE 108 3.635 7.283 6.689 786 HB ILE 108 HB ILE 108 1.150 6.185 8.008 787 HG12 ILE 108 1HG1 ILE 108 1.551 6.402 5.050 788 HG13 ILE 108 2HG1 ILE 108 2.263 5.042 5.912 789 HG21 ILE 108 1HG2 ILE 108 1.197 8.648 7.819 790 HG22 ILE 108 2HG2 ILE 108 1.435 8.484 6.080 791 HG23 ILE 108 3HG2 ILE 108 -0.056 7.907 6.824 792 HD11 ILE 108 3HD1 ILE 108 0.307 4.049 5.521 793 HD12 ILE 108 1HD1 ILE 108 -0.284 5.026 6.865 794 HD13 ILE 108 2HD1 ILE 108 -0.517 5.576 5.205 795 H ASN 109 H ASN 109 4.555 8.894 7.777 796 HA ASN 109 HA ASN 109 4.078 9.172 10.647 797 HB2 ASN 109 1HB ASN 109 6.133 10.205 8.740 798 HB3 ASN 109 2HB ASN 109 5.818 11.120 10.211 799 HD21 ASN 109 1HD2 ASN 109 6.425 7.798 9.134 800 HD22 ASN 109 2HD2 ASN 109 7.425 7.364 10.475 801 H VAL 110 H VAL 110 2.490 10.434 11.329 802 HA VAL 110 HA VAL 110 1.291 12.392 9.560 803 HB VAL 110 HB VAL 110 0.543 11.802 12.424 804 HG11 VAL 110 1HG1 VAL 110 -1.123 13.253 12.150 805 HG12 VAL 110 2HG1 VAL 110 -0.317 13.776 10.670 806 HG13 VAL 110 3HG1 VAL 110 -1.578 12.544 10.602 807 HG21 VAL 110 3HG2 VAL 110 -0.835 10.071 11.756 808 HG22 VAL 110 1HG2 VAL 110 -0.876 10.611 10.078 809 HG23 VAL 110 2HG2 VAL 110 0.571 9.832 10.719 810 H THR 111 H THR 111 1.686 14.506 9.573 811 HA THR 111 HA THR 111 3.059 15.664 11.910 812 HB THR 111 HB THR 111 4.505 16.925 10.583 813 HG1 THR 111 1HG THR 111 4.152 17.324 8.399 814 HG21 THR 111 3HG2 THR 111 5.746 15.163 10.025 815 HG22 THR 111 1HG2 THR 111 4.782 14.941 8.566 816 HG23 THR 111 2HG2 THR 111 4.313 14.135 10.063 817 H ASP 112 H ASP 112 2.950 18.178 11.745 818 HA ASP 112 HA ASP 112 0.345 18.992 12.151 819 HB2 ASP 112 1HB ASP 112 2.427 20.896 11.106 820 HB3 ASP 112 2HB ASP 112 1.159 21.193 12.293 821 H VAL 113 H VAL 113 -1.096 20.314 10.938 822 HA VAL 113 HA VAL 113 -0.950 19.781 8.056 823 HB VAL 113 HB VAL 113 -2.976 19.081 9.433 824 HG11 VAL 113 1HG1 VAL 113 -3.223 21.057 10.796 825 HG12 VAL 113 2HG1 VAL 113 -3.458 22.057 9.361 826 HG13 VAL 113 3HG1 VAL 113 -4.665 20.849 9.803 827 HG21 VAL 113 3HG2 VAL 113 -2.725 19.739 6.833 828 HG22 VAL 113 1HG2 VAL 113 -4.217 19.128 7.548 829 HG23 VAL 113 2HG2 VAL 113 -3.996 20.862 7.316 830 H ASN 114 H ASN 114 -1.003 22.342 10.401 831 HA ASN 114 HA ASN 114 -1.816 24.509 8.884 832 HB2 ASN 114 1HB ASN 114 -0.852 25.873 10.516 833 HB3 ASN 114 2HB ASN 114 -1.135 24.368 11.386 834 HD21 ASN 114 1HD2 ASN 114 1.004 26.748 11.028 835 HD22 ASN 114 2HD2 ASN 114 2.476 25.907 11.362 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.606 -29.613 -11.569 2 HA2 GLY 1 1HA GLY 1 -1.726 -28.097 -13.509 3 HA3 GLY 1 2HA GLY 1 -1.205 -26.893 -12.340 4 H SER 2 H SER 2 0.070 -26.225 -14.291 5 HA SER 2 HA SER 2 2.775 -27.104 -13.973 6 HB2 SER 2 1HB SER 2 1.210 -27.915 -16.403 7 HB3 SER 2 2HB SER 2 2.938 -27.591 -16.535 8 HG SER 2 HG SER 2 2.951 -29.107 -14.563 9 H SER 3 H SER 3 4.171 -26.001 -15.787 10 HA SER 3 HA SER 3 3.095 -23.285 -16.182 11 HB2 SER 3 1HB SER 3 5.508 -22.542 -16.057 12 HB3 SER 3 2HB SER 3 4.843 -23.164 -14.547 13 HG SER 3 HG SER 3 6.732 -24.209 -14.734 14 H GLY 4 H GLY 4 5.701 -25.391 -17.424 15 HA2 GLY 4 1HA GLY 4 5.332 -26.063 -19.836 16 HA3 GLY 4 2HA GLY 4 5.101 -24.344 -20.119 17 H SER 5 H SER 5 7.461 -26.718 -18.954 18 HA SER 5 HA SER 5 9.747 -26.671 -18.881 19 HB2 SER 5 1HB SER 5 9.085 -25.527 -21.589 20 HB3 SER 5 2HB SER 5 10.754 -25.808 -21.091 21 HG SER 5 HG SER 5 9.742 -27.580 -22.244 22 H SER 6 H SER 6 8.672 -24.583 -17.417 23 HA SER 6 HA SER 6 10.077 -22.146 -18.124 24 HB2 SER 6 1HB SER 6 8.228 -22.899 -15.863 25 HB3 SER 6 2HB SER 6 9.079 -21.354 -15.902 26 HG SER 6 HG SER 6 7.049 -22.319 -17.581 27 H GLY 7 H GLY 7 11.587 -21.097 -16.699 28 HA2 GLY 7 1HA GLY 7 13.666 -22.770 -15.833 29 HA3 GLY 7 2HA GLY 7 13.510 -21.062 -15.448 30 H ASN 8 H ASN 8 13.556 -20.686 -13.345 31 HA ASN 8 HA ASN 8 12.501 -22.741 -11.524 32 HB2 ASN 8 1HB ASN 8 14.557 -20.570 -11.078 33 HB3 ASN 8 2HB ASN 8 13.913 -21.587 -9.792 34 HD21 ASN 8 1HD2 ASN 8 16.072 -21.367 -12.446 35 HD22 ASN 8 2HD2 ASN 8 16.785 -22.932 -12.281 36 H ASP 9 H ASP 9 11.881 -21.608 -9.305 37 HA ASP 9 HA ASP 9 9.479 -20.278 -9.700 38 HB2 ASP 9 1HB ASP 9 11.261 -20.730 -7.358 39 HB3 ASP 9 2HB ASP 9 9.990 -19.522 -7.194 40 H ASN 10 H ASN 10 8.817 -18.137 -9.496 41 HA ASN 10 HA ASN 10 10.869 -16.072 -9.275 42 HB2 ASN 10 1HB ASN 10 10.880 -16.238 -11.611 43 HB3 ASN 10 2HB ASN 10 9.149 -16.552 -11.692 44 HD21 ASN 10 1HD2 ASN 10 11.545 -14.080 -10.958 45 HD22 ASN 10 2HD2 ASN 10 10.554 -12.733 -11.393 46 H ARG 11 H ARG 11 10.185 -14.608 -7.871 47 HA ARG 11 HA ARG 11 7.283 -14.168 -7.600 48 HB2 ARG 11 1HB ARG 11 7.696 -13.575 -5.261 49 HB3 ARG 11 2HB ARG 11 8.265 -15.202 -5.610 50 HG2 ARG 11 1HG ARG 11 10.204 -12.963 -5.824 51 HG3 ARG 11 2HG ARG 11 9.707 -13.498 -4.217 52 HD2 ARG 11 1HD ARG 11 10.523 -15.546 -6.219 53 HD3 ARG 11 2HD ARG 11 11.776 -14.575 -5.447 54 HE ARG 11 HE ARG 11 10.406 -16.741 -4.292 55 HH11 ARG 11 1HH1 ARG 11 11.515 -13.535 -3.513 56 HH12 ARG 11 2HH1 ARG 11 11.698 -13.867 -1.823 57 HH21 ARG 11 1HH2 ARG 11 10.643 -17.192 -2.069 58 HH22 ARG 11 2HH2 ARG 11 11.202 -15.948 -1.002 59 HA PRO 12 HA PRO 12 7.838 -9.943 -8.662 60 HB2 PRO 12 1HB PRO 12 5.871 -8.786 -7.191 61 HB3 PRO 12 2HB PRO 12 5.547 -9.765 -8.627 62 HG2 PRO 12 1HG PRO 12 5.400 -10.534 -5.737 63 HG3 PRO 12 2HG PRO 12 4.278 -10.918 -7.056 64 HD2 PRO 12 1HD PRO 12 6.118 -12.685 -6.147 65 HD3 PRO 12 2HD PRO 12 5.594 -12.639 -7.843 66 H VAL 13 H VAL 13 8.633 -7.952 -7.910 67 HA VAL 13 HA VAL 13 9.444 -7.879 -5.080 68 HB VAL 13 HB VAL 13 11.370 -8.499 -6.515 69 HG11 VAL 13 1HG1 VAL 13 12.308 -6.899 -8.070 70 HG12 VAL 13 2HG1 VAL 13 10.647 -7.277 -8.532 71 HG13 VAL 13 3HG1 VAL 13 11.012 -5.756 -7.717 72 HG21 VAL 13 3HG2 VAL 13 11.441 -7.006 -4.389 73 HG22 VAL 13 1HG2 VAL 13 12.885 -7.160 -5.391 74 HG23 VAL 13 2HG2 VAL 13 11.871 -5.723 -5.520 75 H PHE 14 H PHE 14 9.081 -6.005 -4.050 76 HA PHE 14 HA PHE 14 7.647 -3.927 -5.426 77 HB2 PHE 14 1HB PHE 14 8.335 -4.551 -2.599 78 HB3 PHE 14 2HB PHE 14 7.982 -2.871 -2.992 79 HD1 PHE 14 1HD PHE 14 5.814 -2.682 -4.624 80 HD2 PHE 14 2HD PHE 14 6.578 -5.761 -1.787 81 HE1 PHE 14 1HE PHE 14 3.403 -3.158 -4.497 82 HE2 PHE 14 2HE PHE 14 4.169 -6.243 -1.656 83 HZ PHE 14 HZ PHE 14 2.578 -4.942 -3.012 84 H LYS 15 H LYS 15 8.245 -1.706 -5.496 85 HA LYS 15 HA LYS 15 10.644 -1.072 -6.569 86 HB2 LYS 15 1HB LYS 15 8.633 0.434 -6.328 87 HB3 LYS 15 2HB LYS 15 9.182 0.793 -4.696 88 HG2 LYS 15 1HG LYS 15 11.355 1.558 -5.736 89 HG3 LYS 15 2HG LYS 15 10.534 1.457 -7.295 90 HD2 LYS 15 1HD LYS 15 8.727 2.927 -6.135 91 HD3 LYS 15 2HD LYS 15 10.021 3.302 -4.995 92 HE2 LYS 15 1HE LYS 15 10.256 4.991 -6.548 93 HE3 LYS 15 2HE LYS 15 11.403 3.793 -7.146 94 HZ1 LYS 15 3HZ LYS 15 9.953 3.154 -8.843 95 HZ2 LYS 15 1HZ LYS 15 9.846 4.842 -8.826 96 HZ3 LYS 15 2HZ LYS 15 8.617 3.910 -8.132 97 H GLU 16 H GLU 16 9.869 -0.803 -3.103 98 HA GLU 16 HA GLU 16 12.669 -1.296 -2.473 99 HB2 GLU 16 1HB GLU 16 12.901 0.624 -1.043 100 HB3 GLU 16 2HB GLU 16 12.416 1.177 -2.640 101 HG2 GLU 16 1HG GLU 16 10.009 1.040 -1.609 102 HG3 GLU 16 2HG GLU 16 10.890 1.174 -0.088 103 H GLY 17 H GLY 17 13.010 -1.759 -0.168 104 HA2 GLY 17 1HA GLY 17 11.016 -3.519 0.824 105 HA3 GLY 17 2HA GLY 17 12.482 -3.040 1.666 106 H GLN 18 H GLN 18 12.341 -0.570 2.336 107 HA GLN 18 HA GLN 18 9.819 -0.318 3.823 108 HB2 GLN 18 1HB GLN 18 12.166 -0.451 4.957 109 HB3 GLN 18 2HB GLN 18 12.300 1.234 4.473 110 HG2 GLN 18 1HG GLN 18 10.501 1.882 5.827 111 HG3 GLN 18 2HG GLN 18 9.957 0.219 6.042 112 HE21 GLN 18 1HE2 GLN 18 9.980 0.821 8.319 113 HE22 GLN 18 2HE2 GLN 18 11.459 0.693 9.202 114 H VAL 19 H VAL 19 8.657 1.581 3.818 115 HA VAL 19 HA VAL 19 9.596 3.726 2.039 116 HB VAL 19 HB VAL 19 6.812 2.551 2.043 117 HG11 VAL 19 1HG1 VAL 19 6.424 4.797 1.669 118 HG12 VAL 19 2HG1 VAL 19 7.962 5.031 0.835 119 HG13 VAL 19 3HG1 VAL 19 6.640 4.186 0.029 120 HG21 VAL 19 3HG2 VAL 19 7.909 1.096 0.680 121 HG22 VAL 19 1HG2 VAL 19 7.591 2.371 -0.496 122 HG23 VAL 19 2HG2 VAL 19 9.174 2.256 0.274 123 H GLU 20 H GLU 20 9.251 5.753 2.765 124 HA GLU 20 HA GLU 20 7.578 6.071 5.170 125 HB2 GLU 20 1HB GLU 20 10.077 6.200 5.561 126 HB3 GLU 20 2HB GLU 20 10.075 7.658 4.578 127 HG2 GLU 20 1HG GLU 20 8.228 8.433 6.252 128 HG3 GLU 20 2HG GLU 20 8.940 7.201 7.292 129 H VAL 21 H VAL 21 6.113 7.674 5.149 130 HA VAL 21 HA VAL 21 6.295 9.724 3.051 131 HB VAL 21 HB VAL 21 3.759 9.532 2.841 132 HG11 VAL 21 1HG1 VAL 21 4.779 7.021 1.737 133 HG12 VAL 21 2HG1 VAL 21 4.109 8.433 0.918 134 HG13 VAL 21 3HG1 VAL 21 5.802 8.420 1.412 135 HG21 VAL 21 3HG2 VAL 21 3.354 8.139 4.790 136 HG22 VAL 21 1HG2 VAL 21 2.811 7.317 3.327 137 HG23 VAL 21 2HG2 VAL 21 4.329 6.846 4.092 138 H HIS 22 H HIS 22 5.275 11.699 3.528 139 HA HIS 22 HA HIS 22 4.609 12.053 6.377 140 HB2 HIS 22 1HB HIS 22 5.713 14.076 6.416 141 HB3 HIS 22 2HB HIS 22 6.702 13.199 5.253 142 HD1 HIS 22 1HD HIS 22 7.070 14.339 3.083 143 HD2 HIS 22 2HD HIS 22 3.726 15.807 5.064 144 HE1 HIS 22 1HE HIS 22 6.258 16.271 1.692 145 HE2 HIS 22 2HE HIS 22 4.285 17.196 2.956 146 H ILE 23 H ILE 23 2.600 12.655 6.830 147 HA ILE 23 HA ILE 23 1.113 14.339 4.980 148 HB ILE 23 HB ILE 23 0.475 12.170 4.174 149 HG12 ILE 23 1HG1 ILE 23 -1.635 13.382 5.969 150 HG13 ILE 23 2HG1 ILE 23 -1.333 13.771 4.279 151 HG21 ILE 23 1HG2 ILE 23 -0.789 10.687 5.954 152 HG22 ILE 23 2HG2 ILE 23 0.957 10.577 5.738 153 HG23 ILE 23 3HG2 ILE 23 0.292 11.523 7.069 154 HD11 ILE 23 3HD1 ILE 23 -1.801 11.127 4.089 155 HD12 ILE 23 1HD1 ILE 23 -2.815 11.537 5.473 156 HD13 ILE 23 2HD1 ILE 23 -3.045 12.368 3.934 157 HA PRO 24 HA PRO 24 -0.103 16.058 8.873 158 HB2 PRO 24 1HB PRO 24 -1.987 17.764 7.917 159 HB3 PRO 24 2HB PRO 24 -0.253 18.060 7.755 160 HG2 PRO 24 1HG PRO 24 -2.179 16.949 5.752 161 HG3 PRO 24 2HG PRO 24 -0.888 18.142 5.520 162 HD2 PRO 24 1HD PRO 24 -0.604 15.537 4.838 163 HD3 PRO 24 2HD PRO 24 0.754 16.529 5.407 164 H GLU 25 H GLU 25 -1.868 16.035 10.313 165 HA GLU 25 HA GLU 25 -3.644 13.842 10.000 166 HB2 GLU 25 1HB GLU 25 -4.602 14.601 12.155 167 HB3 GLU 25 2HB GLU 25 -2.850 14.456 12.200 168 HG2 GLU 25 1HG GLU 25 -2.657 16.884 11.893 169 HG3 GLU 25 2HG GLU 25 -4.415 17.010 11.909 170 H ASN 26 H ASN 26 -4.003 17.336 9.718 171 HA ASN 26 HA ASN 26 -6.853 17.137 9.242 172 HB2 ASN 26 1HB ASN 26 -4.886 19.381 9.475 173 HB3 ASN 26 2HB ASN 26 -6.432 19.677 8.686 174 HD21 ASN 26 1HD2 ASN 26 -6.576 21.194 10.538 175 HD22 ASN 26 2HD2 ASN 26 -7.250 20.597 12.013 176 H ALA 27 H ALA 27 -5.012 15.780 7.415 177 HA ALA 27 HA ALA 27 -4.811 17.229 4.983 178 HB1 ALA 27 3HB ALA 27 -4.760 14.255 5.480 179 HB2 ALA 27 1HB ALA 27 -4.307 15.045 3.969 180 HB3 ALA 27 2HB ALA 27 -3.368 15.336 5.434 181 HA PRO 28 HA PRO 28 -8.925 16.949 3.440 182 HB2 PRO 28 1HB PRO 28 -8.407 17.202 0.787 183 HB3 PRO 28 2HB PRO 28 -8.302 18.555 1.919 184 HG2 PRO 28 1HG PRO 28 -6.114 16.840 0.808 185 HG3 PRO 28 2HG PRO 28 -6.152 18.599 1.034 186 HD2 PRO 28 1HD PRO 28 -4.884 16.936 2.754 187 HD3 PRO 28 2HD PRO 28 -5.654 18.448 3.279 188 H VAL 29 H VAL 29 -10.320 15.417 2.706 189 HA VAL 29 HA VAL 29 -9.452 12.752 2.444 190 HB VAL 29 HB VAL 29 -12.105 13.888 1.554 191 HG11 VAL 29 1HG1 VAL 29 -11.755 11.144 2.644 192 HG12 VAL 29 2HG1 VAL 29 -12.920 11.754 1.468 193 HG13 VAL 29 3HG1 VAL 29 -11.250 11.456 0.983 194 HG21 VAL 29 3HG2 VAL 29 -11.579 14.504 3.875 195 HG22 VAL 29 1HG2 VAL 29 -12.919 13.361 3.782 196 HG23 VAL 29 2HG2 VAL 29 -11.315 12.803 4.256 197 H GLY 30 H GLY 30 -8.848 11.563 0.737 198 HA2 GLY 30 1HA GLY 30 -8.965 10.902 -1.549 199 HA3 GLY 30 2HA GLY 30 -9.467 12.534 -1.965 200 H THR 31 H THR 31 -6.876 12.362 0.241 201 HA THR 31 HA THR 31 -5.078 13.486 -1.721 202 HB THR 31 HB THR 31 -4.593 12.861 1.198 203 HG1 THR 31 1HG THR 31 -6.204 14.604 0.297 204 HG21 THR 31 3HG2 THR 31 -2.991 14.989 0.191 205 HG22 THR 31 1HG2 THR 31 -2.799 13.597 -0.875 206 HG23 THR 31 2HG2 THR 31 -2.471 13.439 0.851 207 H SER 32 H SER 32 -3.578 12.418 -2.833 208 HA SER 32 HA SER 32 -3.319 9.594 -2.620 209 HB2 SER 32 1HB SER 32 -2.004 9.713 -4.536 210 HB3 SER 32 2HB SER 32 -2.991 11.166 -4.687 211 HG SER 32 HG SER 32 -1.113 12.166 -3.479 212 H VAL 33 H VAL 33 -2.318 8.670 -0.955 213 HA VAL 33 HA VAL 33 -0.170 9.974 0.455 214 HB VAL 33 HB VAL 33 -1.192 7.151 0.787 215 HG11 VAL 33 1HG1 VAL 33 -0.168 7.230 2.965 216 HG12 VAL 33 2HG1 VAL 33 1.045 7.628 1.746 217 HG13 VAL 33 3HG1 VAL 33 0.317 8.907 2.719 218 HG21 VAL 33 3HG2 VAL 33 -2.977 7.922 1.876 219 HG22 VAL 33 1HG2 VAL 33 -1.998 9.045 2.819 220 HG23 VAL 33 2HG2 VAL 33 -2.588 9.514 1.225 221 H ILE 34 H ILE 34 -0.297 6.651 -0.816 222 HA ILE 34 HA ILE 34 2.272 7.070 -2.148 223 HB ILE 34 HB ILE 34 2.777 6.204 0.123 224 HG12 ILE 34 1HG1 ILE 34 4.194 4.300 -0.647 225 HG13 ILE 34 2HG1 ILE 34 3.342 4.333 -2.187 226 HG21 ILE 34 1HG2 ILE 34 1.354 3.704 -0.771 227 HG22 ILE 34 2HG2 ILE 34 2.136 3.991 0.782 228 HG23 ILE 34 3HG2 ILE 34 0.678 4.885 0.350 229 HD11 ILE 34 3HD1 ILE 34 4.983 6.582 -1.047 230 HD12 ILE 34 1HD1 ILE 34 5.498 5.463 -2.309 231 HD13 ILE 34 2HD1 ILE 34 4.164 6.577 -2.609 232 H GLN 35 H GLN 35 2.674 5.675 -3.866 233 HA GLN 35 HA GLN 35 0.455 3.878 -4.590 234 HB2 GLN 35 1HB GLN 35 0.433 5.924 -5.960 235 HB3 GLN 35 2HB GLN 35 2.089 5.606 -6.458 236 HG2 GLN 35 1HG GLN 35 1.083 3.327 -7.264 237 HG3 GLN 35 2HG GLN 35 -0.428 4.236 -7.254 238 HE21 GLN 35 1HE2 GLN 35 -0.466 3.888 -9.542 239 HE22 GLN 35 2HE2 GLN 35 0.464 4.901 -10.588 240 H LEU 36 H LEU 36 1.269 1.903 -4.208 241 HA LEU 36 HA LEU 36 4.015 1.230 -4.578 242 HB2 LEU 36 1HB LEU 36 1.530 -0.223 -3.846 243 HB3 LEU 36 2HB LEU 36 2.898 -1.171 -4.425 244 HG LEU 36 HG LEU 36 2.972 0.697 -2.056 245 HD11 LEU 36 1HD1 LEU 36 1.782 -1.817 -2.237 246 HD12 LEU 36 2HD1 LEU 36 2.224 -0.948 -0.767 247 HD13 LEU 36 3HD1 LEU 36 3.351 -2.101 -1.482 248 HD21 LEU 36 3HD2 LEU 36 5.154 0.564 -2.865 249 HD22 LEU 36 1HD2 LEU 36 4.978 -1.126 -3.339 250 HD23 LEU 36 2HD2 LEU 36 5.088 -0.696 -1.632 251 H HIS 37 H HIS 37 4.979 -0.019 -6.166 252 HA HIS 37 HA HIS 37 3.370 -0.725 -8.511 253 HB2 HIS 37 1HB HIS 37 4.659 1.581 -8.633 254 HB3 HIS 37 2HB HIS 37 6.038 0.540 -8.976 255 HD1 HIS 37 1HD HIS 37 3.573 2.391 -10.685 256 HD2 HIS 37 2HD HIS 37 5.223 -1.385 -11.214 257 HE1 HIS 37 1HE HIS 37 3.103 1.781 -13.080 258 HE2 HIS 37 2HE HIS 37 4.036 -0.543 -13.352 259 H ALA 38 H ALA 38 3.685 -2.813 -8.862 260 HA ALA 38 HA ALA 38 6.369 -3.934 -8.377 261 HB1 ALA 38 3HB ALA 38 5.453 -5.448 -7.041 262 HB2 ALA 38 1HB ALA 38 3.870 -4.711 -7.286 263 HB3 ALA 38 2HB ALA 38 4.419 -5.998 -8.360 264 H THR 39 H THR 39 7.366 -4.792 -10.077 265 HA THR 39 HA THR 39 5.746 -5.595 -12.404 266 HB THR 39 HB THR 39 7.551 -4.798 -13.885 267 HG1 THR 39 1HG THR 39 9.406 -4.392 -12.963 268 HG21 THR 39 3HG2 THR 39 6.941 -2.531 -13.861 269 HG22 THR 39 1HG2 THR 39 6.733 -2.514 -12.110 270 HG23 THR 39 2HG2 THR 39 5.567 -3.359 -13.128 271 H ASP 40 H ASP 40 5.929 -7.713 -12.681 272 HA ASP 40 HA ASP 40 8.577 -8.951 -12.338 273 HB2 ASP 40 1HB ASP 40 6.804 -9.431 -10.498 274 HB3 ASP 40 2HB ASP 40 6.052 -10.454 -11.718 275 H ALA 41 H ALA 41 9.215 -10.323 -13.917 276 HA ALA 41 HA ALA 41 9.295 -11.074 -16.087 277 HB1 ALA 41 3HB ALA 41 6.631 -12.330 -15.643 278 HB2 ALA 41 1HB ALA 41 8.100 -13.013 -16.341 279 HB3 ALA 41 2HB ALA 41 7.975 -12.784 -14.596 280 H ASP 42 H ASP 42 8.618 -8.558 -16.365 281 HA ASP 42 HA ASP 42 6.076 -8.189 -17.660 282 HB2 ASP 42 1HB ASP 42 7.617 -6.470 -16.355 283 HB3 ASP 42 2HB ASP 42 8.295 -6.215 -17.961 284 H ILE 43 H ILE 43 7.269 -10.241 -18.951 285 HA ILE 43 HA ILE 43 8.422 -9.124 -21.407 286 HB ILE 43 HB ILE 43 8.721 -11.659 -21.922 287 HG12 ILE 43 1HG1 ILE 43 8.473 -11.711 -18.906 288 HG13 ILE 43 2HG1 ILE 43 7.319 -12.423 -20.028 289 HG21 ILE 43 1HG2 ILE 43 10.409 -9.792 -21.171 290 HG22 ILE 43 2HG2 ILE 43 10.466 -10.746 -19.689 291 HG23 ILE 43 3HG2 ILE 43 10.899 -11.485 -21.231 292 HD11 ILE 43 3HD1 ILE 43 9.974 -13.374 -19.174 293 HD12 ILE 43 1HD1 ILE 43 8.513 -14.277 -19.575 294 HD13 ILE 43 2HD1 ILE 43 9.541 -13.645 -20.862 295 H GLY 44 H GLY 44 6.568 -8.341 -22.414 296 HA2 GLY 44 1HA GLY 44 5.205 -9.133 -24.318 297 HA3 GLY 44 2HA GLY 44 4.656 -10.429 -23.265 298 H SER 45 H SER 45 2.896 -10.117 -22.024 299 HA SER 45 HA SER 45 1.547 -7.534 -22.281 300 HB2 SER 45 1HB SER 45 0.502 -9.907 -22.751 301 HB3 SER 45 2HB SER 45 0.270 -9.922 -21.002 302 HG SER 45 HG SER 45 -0.665 -7.692 -21.477 303 H ASN 46 H ASN 46 0.636 -6.461 -20.479 304 HA ASN 46 HA ASN 46 2.265 -6.638 -18.108 305 HB2 ASN 46 1HB ASN 46 1.814 -4.424 -18.631 306 HB3 ASN 46 2HB ASN 46 0.154 -4.766 -19.108 307 HD21 ASN 46 1HD2 ASN 46 2.276 -3.953 -16.537 308 HD22 ASN 46 2HD2 ASN 46 1.073 -3.753 -15.313 309 H ALA 47 H ALA 47 1.844 -8.099 -16.595 310 HA ALA 47 HA ALA 47 -0.658 -9.404 -16.302 311 HB1 ALA 47 3HB ALA 47 0.574 -9.995 -13.989 312 HB2 ALA 47 1HB ALA 47 0.939 -10.793 -15.519 313 HB3 ALA 47 2HB ALA 47 1.961 -9.474 -14.946 314 H GLU 48 H GLU 48 -2.202 -9.244 -14.670 315 HA GLU 48 HA GLU 48 -2.379 -6.599 -13.449 316 HB2 GLU 48 1HB GLU 48 -4.413 -8.819 -13.713 317 HB3 GLU 48 2HB GLU 48 -4.726 -7.269 -12.944 318 HG2 GLU 48 1HG GLU 48 -3.886 -7.605 -15.813 319 HG3 GLU 48 2HG GLU 48 -5.554 -7.427 -15.270 320 H ILE 49 H ILE 49 -0.883 -6.833 -11.760 321 HA ILE 49 HA ILE 49 -1.160 -8.957 -9.835 322 HB ILE 49 HB ILE 49 0.505 -6.440 -9.717 323 HG12 ILE 49 1HG1 ILE 49 1.261 -9.279 -10.442 324 HG13 ILE 49 2HG1 ILE 49 1.111 -7.940 -11.575 325 HG21 ILE 49 1HG2 ILE 49 1.373 -7.109 -7.740 326 HG22 ILE 49 2HG2 ILE 49 -0.190 -7.908 -7.586 327 HG23 ILE 49 3HG2 ILE 49 1.218 -8.822 -8.127 328 HD11 ILE 49 3HD1 ILE 49 3.168 -8.350 -9.435 329 HD12 ILE 49 1HD1 ILE 49 3.404 -8.176 -11.174 330 HD13 ILE 49 2HD1 ILE 49 2.907 -6.786 -10.207 331 H ARG 50 H ARG 50 -2.667 -8.983 -8.315 332 HA ARG 50 HA ARG 50 -4.153 -6.623 -7.621 333 HB2 ARG 50 1HB ARG 50 -4.883 -9.171 -7.723 334 HB3 ARG 50 2HB ARG 50 -4.373 -9.143 -6.040 335 HG2 ARG 50 1HG ARG 50 -6.705 -8.728 -6.080 336 HG3 ARG 50 2HG ARG 50 -5.911 -7.199 -5.698 337 HD2 ARG 50 1HD ARG 50 -7.412 -6.508 -7.287 338 HD3 ARG 50 2HD ARG 50 -6.011 -6.861 -8.297 339 HE ARG 50 HE ARG 50 -8.495 -8.363 -8.164 340 HH11 ARG 50 1HH1 ARG 50 -5.211 -8.186 -9.304 341 HH12 ARG 50 2HH1 ARG 50 -5.442 -9.366 -10.552 342 HH21 ARG 50 1HH2 ARG 50 -8.813 -9.918 -9.803 343 HH22 ARG 50 2HH2 ARG 50 -7.492 -10.349 -10.835 344 H TYR 51 H TYR 51 -4.498 -5.979 -5.342 345 HA TYR 51 HA TYR 51 -2.161 -6.431 -3.628 346 HB2 TYR 51 1HB TYR 51 -3.329 -3.701 -4.203 347 HB3 TYR 51 2HB TYR 51 -1.982 -4.052 -3.127 348 HD1 TYR 51 2HD TYR 51 0.189 -4.793 -4.068 349 HD2 TYR 51 1HD TYR 51 -3.019 -3.540 -6.565 350 HE1 TYR 51 2HE TYR 51 1.761 -4.518 -5.939 351 HE2 TYR 51 1HE TYR 51 -1.456 -3.263 -8.444 352 HH TYR 51 HH TYR 51 2.022 -3.677 -8.017 353 H ILE 52 H ILE 52 -2.979 -7.339 -1.862 354 HA ILE 52 HA ILE 52 -5.513 -6.290 -0.785 355 HB ILE 52 HB ILE 52 -5.678 -8.472 0.430 356 HG12 ILE 52 1HG1 ILE 52 -3.552 -9.427 -1.486 357 HG13 ILE 52 2HG1 ILE 52 -3.185 -8.947 0.167 358 HG21 ILE 52 1HG2 ILE 52 -6.722 -7.873 -1.848 359 HG22 ILE 52 2HG2 ILE 52 -5.524 -8.980 -2.518 360 HG23 ILE 52 3HG2 ILE 52 -6.708 -9.564 -1.348 361 HD11 ILE 52 3HD1 ILE 52 -4.925 -10.662 0.872 362 HD12 ILE 52 1HD1 ILE 52 -4.836 -11.258 -0.785 363 HD13 ILE 52 2HD1 ILE 52 -3.397 -11.269 0.236 364 H PHE 53 H PHE 53 -5.687 -6.613 1.656 365 HA PHE 53 HA PHE 53 -3.526 -5.198 2.883 366 HB2 PHE 53 1HB PHE 53 -6.168 -6.262 3.817 367 HB3 PHE 53 2HB PHE 53 -4.979 -5.724 4.999 368 HD1 PHE 53 2HD PHE 53 -4.063 -3.351 4.750 369 HD2 PHE 53 1HD PHE 53 -7.568 -4.736 2.772 370 HE1 PHE 53 2HE PHE 53 -4.798 -1.024 4.431 371 HE2 PHE 53 1HE PHE 53 -8.308 -2.412 2.449 372 HZ PHE 53 HZ PHE 53 -6.923 -0.552 3.280 373 H GLY 54 H GLY 54 -1.921 -5.928 4.169 374 HA2 GLY 54 1HA GLY 54 -1.181 -8.649 4.077 375 HA3 GLY 54 2HA GLY 54 -0.444 -7.421 5.096 376 H ALA 55 H ALA 55 -0.231 -8.891 6.815 377 HA ALA 55 HA ALA 55 -2.745 -9.801 8.037 378 HB1 ALA 55 3HB ALA 55 -0.749 -11.379 7.478 379 HB2 ALA 55 1HB ALA 55 -0.060 -10.722 8.963 380 HB3 ALA 55 2HB ALA 55 -1.612 -11.559 9.005 381 H GLN 56 H GLN 56 -2.936 -9.659 10.381 382 HA GLN 56 HA GLN 56 -3.016 -8.437 12.299 383 HB2 GLN 56 1HB GLN 56 -0.112 -8.208 11.555 384 HB3 GLN 56 2HB GLN 56 -0.746 -7.438 13.003 385 HG2 GLN 56 1HG GLN 56 -1.646 -9.748 13.617 386 HG3 GLN 56 2HG GLN 56 -0.571 -10.357 12.360 387 HE21 GLN 56 1HE2 GLN 56 -0.841 -9.362 15.574 388 HE22 GLN 56 2HE2 GLN 56 0.836 -9.404 15.988 389 H VAL 57 H VAL 57 -4.099 -7.107 10.210 390 HA VAL 57 HA VAL 57 -3.071 -4.357 10.417 391 HB VAL 57 HB VAL 57 -4.928 -5.549 8.354 392 HG11 VAL 57 1HG1 VAL 57 -3.642 -2.889 8.031 393 HG12 VAL 57 2HG1 VAL 57 -5.172 -3.492 7.390 394 HG13 VAL 57 3HG1 VAL 57 -5.051 -3.013 9.083 395 HG21 VAL 57 3HG2 VAL 57 -2.308 -4.434 7.589 396 HG22 VAL 57 1HG2 VAL 57 -2.269 -5.944 8.500 397 HG23 VAL 57 2HG2 VAL 57 -3.160 -5.854 6.981 398 H ALA 58 H ALA 58 -4.149 -2.992 11.667 399 HA ALA 58 HA ALA 58 -6.482 -3.631 13.065 400 HB1 ALA 58 3HB ALA 58 -5.356 -1.967 14.128 401 HB2 ALA 58 1HB ALA 58 -4.900 -1.162 12.626 402 HB3 ALA 58 2HB ALA 58 -6.535 -0.981 13.263 403 HA PRO 59 HA PRO 59 -9.793 -2.833 10.292 404 HB2 PRO 59 1HB PRO 59 -11.701 -1.969 12.020 405 HB3 PRO 59 2HB PRO 59 -11.187 -3.658 11.922 406 HG2 PRO 59 1HG PRO 59 -10.372 -1.540 13.874 407 HG3 PRO 59 2HG PRO 59 -10.779 -3.240 14.173 408 HD2 PRO 59 1HD PRO 59 -8.223 -2.355 14.047 409 HD3 PRO 59 2HD PRO 59 -8.696 -3.984 13.523 410 H ALA 60 H ALA 60 -9.173 -0.267 12.673 411 HA ALA 60 HA ALA 60 -10.542 1.809 11.427 412 HB1 ALA 60 3HB ALA 60 -8.897 3.300 12.629 413 HB2 ALA 60 1HB ALA 60 -9.767 2.142 13.636 414 HB3 ALA 60 2HB ALA 60 -8.094 1.827 13.175 415 H THR 61 H THR 61 -7.053 1.091 11.201 416 HA THR 61 HA THR 61 -6.305 2.979 9.363 417 HB THR 61 HB THR 61 -5.310 0.124 9.450 418 HG1 THR 61 1HG THR 61 -4.779 2.421 10.988 419 HG21 THR 61 3HG2 THR 61 -4.271 0.848 7.563 420 HG22 THR 61 1HG2 THR 61 -3.172 1.578 8.733 421 HG23 THR 61 2HG2 THR 61 -4.443 2.550 7.991 422 H LYS 62 H LYS 62 -7.983 -0.052 8.782 423 HA LYS 62 HA LYS 62 -7.759 0.046 5.936 424 HB2 LYS 62 1HB LYS 62 -9.241 -1.606 7.919 425 HB3 LYS 62 2HB LYS 62 -9.851 -1.582 6.269 426 HG2 LYS 62 1HG LYS 62 -7.581 -2.249 5.492 427 HG3 LYS 62 2HG LYS 62 -7.113 -2.432 7.184 428 HD2 LYS 62 1HD LYS 62 -9.553 -3.831 6.185 429 HD3 LYS 62 2HD LYS 62 -7.962 -4.492 5.800 430 HE2 LYS 62 1HE LYS 62 -7.430 -4.442 8.234 431 HE3 LYS 62 2HE LYS 62 -9.096 -3.952 8.542 432 HZ1 LYS 62 3HZ LYS 62 -8.100 -6.528 7.496 433 HZ2 LYS 62 1HZ LYS 62 -9.705 -6.051 7.256 434 HZ3 LYS 62 2HZ LYS 62 -9.106 -6.244 8.826 435 H ARG 63 H ARG 63 -9.937 1.390 8.281 436 HA ARG 63 HA ARG 63 -11.975 2.029 6.326 437 HB2 ARG 63 1HB ARG 63 -11.658 2.350 9.271 438 HB3 ARG 63 2HB ARG 63 -12.761 3.441 8.443 439 HG2 ARG 63 1HG ARG 63 -14.228 1.768 7.897 440 HG3 ARG 63 2HG ARG 63 -12.984 0.517 7.938 441 HD2 ARG 63 1HD ARG 63 -12.945 0.525 10.320 442 HD3 ARG 63 2HD ARG 63 -13.953 1.970 10.390 443 HE ARG 63 HE ARG 63 -15.195 -0.274 9.080 444 HH11 ARG 63 1HH1 ARG 63 -14.624 1.337 12.112 445 HH12 ARG 63 2HH1 ARG 63 -16.014 0.652 12.887 446 HH21 ARG 63 1HH2 ARG 63 -17.028 -1.183 10.088 447 HH22 ARG 63 2HH2 ARG 63 -17.380 -0.782 11.735 448 H LEU 64 H LEU 64 -9.799 3.904 8.441 449 HA LEU 64 HA LEU 64 -10.381 6.424 7.406 450 HB2 LEU 64 1HB LEU 64 -7.717 5.497 8.465 451 HB3 LEU 64 2HB LEU 64 -8.303 7.158 8.388 452 HG LEU 64 HG LEU 64 -9.679 5.065 10.050 453 HD11 LEU 64 1HD1 LEU 64 -7.175 6.560 10.596 454 HD12 LEU 64 2HD1 LEU 64 -7.682 4.959 11.135 455 HD13 LEU 64 3HD1 LEU 64 -8.344 6.400 11.907 456 HD21 LEU 64 3HD2 LEU 64 -10.686 6.887 11.142 457 HD22 LEU 64 1HD2 LEU 64 -10.766 7.278 9.424 458 HD23 LEU 64 2HD2 LEU 64 -9.548 8.042 10.446 459 H PHE 65 H PHE 65 -7.861 4.112 6.450 460 HA PHE 65 HA PHE 65 -7.352 5.749 4.059 461 HB2 PHE 65 1HB PHE 65 -5.649 3.663 5.432 462 HB3 PHE 65 2HB PHE 65 -5.241 4.391 3.882 463 HD1 PHE 65 1HD PHE 65 -4.667 6.778 3.748 464 HD2 PHE 65 2HD PHE 65 -5.344 4.839 7.477 465 HE1 PHE 65 1HE PHE 65 -3.564 8.642 4.915 466 HE2 PHE 65 2HE PHE 65 -4.243 6.701 8.649 467 HZ PHE 65 HZ PHE 65 -3.352 8.606 7.368 468 H ALA 66 H ALA 66 -8.000 5.031 2.141 469 HA ALA 66 HA ALA 66 -9.063 2.312 1.949 470 HB1 ALA 66 3HB ALA 66 -9.415 3.987 -0.399 471 HB2 ALA 66 1HB ALA 66 -10.614 3.141 0.580 472 HB3 ALA 66 2HB ALA 66 -10.040 4.736 1.071 473 H LEU 67 H LEU 67 -8.234 0.777 0.632 474 HA LEU 67 HA LEU 67 -5.826 1.497 -0.904 475 HB2 LEU 67 1HB LEU 67 -5.050 0.036 0.693 476 HB3 LEU 67 2HB LEU 67 -6.550 -0.890 0.726 477 HG LEU 67 HG LEU 67 -5.861 -1.707 -1.612 478 HD11 LEU 67 1HD1 LEU 67 -3.052 -1.391 -0.885 479 HD12 LEU 67 2HD1 LEU 67 -3.851 0.122 -1.308 480 HD13 LEU 67 3HD1 LEU 67 -3.848 -1.222 -2.450 481 HD21 LEU 67 3HD2 LEU 67 -4.410 -2.501 0.905 482 HD22 LEU 67 1HD2 LEU 67 -4.343 -3.424 -0.596 483 HD23 LEU 67 2HD2 LEU 67 -5.882 -3.206 0.237 484 H ASN 68 H ASN 68 -5.611 0.804 -2.997 485 HA ASN 68 HA ASN 68 -8.046 -0.280 -4.227 486 HB2 ASN 68 1HB ASN 68 -5.873 1.532 -5.166 487 HB3 ASN 68 2HB ASN 68 -6.654 0.500 -6.360 488 HD21 ASN 68 1HD2 ASN 68 -7.439 2.411 -7.355 489 HD22 ASN 68 2HD2 ASN 68 -8.816 3.235 -6.715 490 H ASN 69 H ASN 69 -8.068 -2.315 -4.899 491 HA ASN 69 HA ASN 69 -5.621 -3.864 -4.902 492 HB2 ASN 69 1HB ASN 69 -8.227 -5.022 -5.784 493 HB3 ASN 69 2HB ASN 69 -6.956 -5.742 -4.800 494 HD21 ASN 69 1HD2 ASN 69 -6.614 -4.355 -2.690 495 HD22 ASN 69 2HD2 ASN 69 -8.069 -4.061 -1.805 496 H THR 70 H THR 70 -6.831 -1.836 -7.069 497 HA THR 70 HA THR 70 -6.102 -3.521 -9.376 498 HB THR 70 HB THR 70 -7.475 -2.029 -10.775 499 HG1 THR 70 1HG THR 70 -7.334 -0.194 -9.306 500 HG21 THR 70 3HG2 THR 70 -8.985 -3.172 -8.422 501 HG22 THR 70 1HG2 THR 70 -8.472 -4.071 -9.849 502 HG23 THR 70 2HG2 THR 70 -9.668 -2.783 -10.001 503 H THR 71 H THR 71 -5.549 -0.559 -7.662 504 HA THR 71 HA THR 71 -3.481 0.169 -9.634 505 HB THR 71 HB THR 71 -3.753 2.526 -8.863 506 HG1 THR 71 1HG THR 71 -4.776 2.104 -6.859 507 HG21 THR 71 3HG2 THR 71 -5.556 0.985 -10.502 508 HG22 THR 71 1HG2 THR 71 -4.954 2.624 -10.741 509 HG23 THR 71 2HG2 THR 71 -6.397 2.349 -9.765 510 H GLY 72 H GLY 72 -4.177 -0.690 -6.416 511 HA2 GLY 72 1HA GLY 72 -2.840 -0.963 -4.571 512 HA3 GLY 72 2HA GLY 72 -1.471 -0.840 -5.665 513 H LEU 73 H LEU 73 -3.916 1.632 -5.051 514 HA LEU 73 HA LEU 73 -1.774 3.354 -3.995 515 HB2 LEU 73 1HB LEU 73 -2.674 4.150 -6.097 516 HB3 LEU 73 2HB LEU 73 -4.312 4.080 -5.450 517 HG LEU 73 HG LEU 73 -3.575 5.837 -3.775 518 HD11 LEU 73 1HD1 LEU 73 -1.548 6.801 -3.862 519 HD12 LEU 73 2HD1 LEU 73 -1.463 6.712 -5.621 520 HD13 LEU 73 3HD1 LEU 73 -1.075 5.294 -4.647 521 HD21 LEU 73 3HD2 LEU 73 -4.640 7.243 -5.125 522 HD22 LEU 73 1HD2 LEU 73 -4.518 6.030 -6.399 523 HD23 LEU 73 2HD2 LEU 73 -3.280 7.277 -6.249 524 H ILE 74 H ILE 74 -2.208 4.699 -2.222 525 HA ILE 74 HA ILE 74 -4.615 3.974 -0.681 526 HB ILE 74 HB ILE 74 -1.847 4.555 0.378 527 HG12 ILE 74 1HG1 ILE 74 -3.468 2.043 0.748 528 HG13 ILE 74 2HG1 ILE 74 -2.407 2.259 -0.640 529 HG21 ILE 74 1HG2 ILE 74 -4.407 3.988 1.867 530 HG22 ILE 74 2HG2 ILE 74 -2.806 4.109 2.593 531 HG23 ILE 74 3HG2 ILE 74 -3.536 5.521 1.832 532 HD11 ILE 74 3HD1 ILE 74 -0.554 1.917 0.567 533 HD12 ILE 74 1HD1 ILE 74 -1.169 2.805 1.961 534 HD13 ILE 74 2HD1 ILE 74 -1.662 1.133 1.693 535 H THR 75 H THR 75 -5.928 5.619 -0.294 536 HA THR 75 HA THR 75 -4.787 8.325 -0.076 537 HB THR 75 HB THR 75 -6.900 9.185 -1.136 538 HG1 THR 75 1HG THR 75 -8.323 7.799 -1.961 539 HG21 THR 75 3HG2 THR 75 -4.618 7.958 -2.380 540 HG22 THR 75 1HG2 THR 75 -5.518 9.393 -2.872 541 HG23 THR 75 2HG2 THR 75 -6.033 7.798 -3.421 542 H VAL 76 H VAL 76 -6.200 9.857 1.086 543 HA VAL 76 HA VAL 76 -7.118 8.721 3.532 544 HB VAL 76 HB VAL 76 -7.413 11.540 2.487 545 HG11 VAL 76 1HG1 VAL 76 -8.026 10.285 5.136 546 HG12 VAL 76 2HG1 VAL 76 -7.582 11.989 5.023 547 HG13 VAL 76 3HG1 VAL 76 -9.006 11.390 4.172 548 HG21 VAL 76 3HG2 VAL 76 -5.466 10.663 4.581 549 HG22 VAL 76 1HG2 VAL 76 -5.078 10.473 2.871 550 HG23 VAL 76 2HG2 VAL 76 -5.414 12.076 3.526 551 H GLN 77 H GLN 77 -9.107 8.143 4.150 552 HA GLN 77 HA GLN 77 -11.314 8.625 2.267 553 HB2 GLN 77 1HB GLN 77 -10.642 6.247 2.800 554 HB3 GLN 77 2HB GLN 77 -11.207 6.534 4.441 555 HG2 GLN 77 1HG GLN 77 -13.405 7.270 3.215 556 HG3 GLN 77 2HG GLN 77 -12.756 6.269 1.918 557 HE21 GLN 77 1HE2 GLN 77 -11.695 4.162 3.043 558 HE22 GLN 77 2HE2 GLN 77 -12.830 3.292 4.012 559 H ARG 78 H ARG 78 -10.348 8.833 5.639 560 HA ARG 78 HA ARG 78 -12.494 10.744 6.108 561 HB2 ARG 78 1HB ARG 78 -12.112 8.277 7.814 562 HB3 ARG 78 2HB ARG 78 -13.170 9.625 8.210 563 HG2 ARG 78 1HG ARG 78 -14.583 9.155 6.343 564 HG3 ARG 78 2HG ARG 78 -13.454 7.945 5.732 565 HD2 ARG 78 1HD ARG 78 -15.135 6.701 6.783 566 HD3 ARG 78 2HD ARG 78 -13.817 6.740 7.953 567 HE ARG 78 HE ARG 78 -15.338 8.857 8.670 568 HH11 ARG 78 1HH1 ARG 78 -16.040 5.498 8.079 569 HH12 ARG 78 2HH1 ARG 78 -17.354 5.440 9.207 570 HH21 ARG 78 1HH2 ARG 78 -17.067 8.792 10.157 571 HH22 ARG 78 2HH2 ARG 78 -17.938 7.314 10.387 572 H SER 79 H SER 79 -12.135 12.105 7.921 573 HA SER 79 HA SER 79 -9.694 13.151 8.298 574 HB2 SER 79 1HB SER 79 -10.485 14.222 10.236 575 HB3 SER 79 2HB SER 79 -11.955 13.861 9.331 576 HG SER 79 HG SER 79 -12.098 13.285 11.560 577 H LEU 80 H LEU 80 -7.957 12.941 9.738 578 HA LEU 80 HA LEU 80 -7.646 10.231 10.834 579 HB2 LEU 80 1HB LEU 80 -5.493 12.247 10.224 580 HB3 LEU 80 2HB LEU 80 -5.271 10.553 10.654 581 HG LEU 80 HG LEU 80 -6.757 11.298 8.164 582 HD11 LEU 80 1HD1 LEU 80 -4.954 12.026 7.096 583 HD12 LEU 80 2HD1 LEU 80 -3.997 10.658 7.662 584 HD13 LEU 80 3HD1 LEU 80 -4.132 12.109 8.654 585 HD21 LEU 80 3HD2 LEU 80 -6.076 9.129 7.432 586 HD22 LEU 80 1HD2 LEU 80 -6.740 8.965 9.058 587 HD23 LEU 80 2HD2 LEU 80 -4.994 8.942 8.813 588 H ASP 81 H ASP 81 -6.646 9.946 12.885 589 HA ASP 81 HA ASP 81 -6.829 12.307 14.640 590 HB2 ASP 81 1HB ASP 81 -7.803 9.502 15.027 591 HB3 ASP 81 2HB ASP 81 -7.304 10.442 16.431 592 H ARG 82 H ARG 82 -4.925 12.881 15.431 593 HA ARG 82 HA ARG 82 -2.666 11.100 15.329 594 HB2 ARG 82 1HB ARG 82 -2.806 13.725 15.012 595 HB3 ARG 82 2HB ARG 82 -2.560 13.721 16.753 596 HG2 ARG 82 1HG ARG 82 -0.733 12.093 15.068 597 HG3 ARG 82 2HG ARG 82 -0.539 13.847 15.077 598 HD2 ARG 82 1HD ARG 82 -0.642 12.154 17.567 599 HD3 ARG 82 2HD ARG 82 0.855 12.616 16.758 600 HE ARG 82 HE ARG 82 -0.840 14.296 18.379 601 HH11 ARG 82 1HH1 ARG 82 1.646 14.185 15.943 602 HH12 ARG 82 2HH1 ARG 82 2.231 15.781 16.283 603 HH21 ARG 82 1HH2 ARG 82 -0.078 16.397 18.835 604 HH22 ARG 82 2HH2 ARG 82 1.251 17.037 17.928 605 H GLU 83 H GLU 83 -4.536 12.701 17.890 606 HA GLU 83 HA GLU 83 -3.207 12.022 20.143 607 HB2 GLU 83 1HB GLU 83 -6.192 11.717 19.775 608 HB3 GLU 83 2HB GLU 83 -5.356 11.915 21.308 609 HG2 GLU 83 1HG GLU 83 -4.468 14.106 20.119 610 HG3 GLU 83 2HG GLU 83 -5.960 13.909 19.202 611 H GLU 84 H GLU 84 -5.455 9.876 18.411 612 HA GLU 84 HA GLU 84 -5.107 7.660 20.126 613 HB2 GLU 84 1HB GLU 84 -5.984 7.776 17.235 614 HB3 GLU 84 2HB GLU 84 -6.095 6.348 18.254 615 HG2 GLU 84 1HG GLU 84 -7.412 8.934 19.001 616 HG3 GLU 84 2HG GLU 84 -8.194 7.749 17.957 617 H THR 85 H THR 85 -3.846 8.172 16.826 618 HA THR 85 HA THR 85 -1.450 6.651 17.593 619 HB THR 85 HB THR 85 -2.858 5.115 16.333 620 HG1 THR 85 1HG THR 85 -0.660 4.909 15.922 621 HG21 THR 85 3HG2 THR 85 -2.660 6.714 13.842 622 HG22 THR 85 1HG2 THR 85 -3.861 7.219 15.030 623 HG23 THR 85 2HG2 THR 85 -3.909 5.585 14.366 624 H ALA 86 H ALA 86 0.464 7.298 16.639 625 HA ALA 86 HA ALA 86 0.335 9.870 15.220 626 HB1 ALA 86 3HB ALA 86 2.347 8.644 17.055 627 HB2 ALA 86 1HB ALA 86 2.851 9.874 15.895 628 HB3 ALA 86 2HB ALA 86 1.616 10.249 17.098 629 H ILE 87 H ILE 87 1.330 6.574 14.931 630 HA ILE 87 HA ILE 87 2.288 7.136 12.212 631 HB ILE 87 HB ILE 87 3.622 5.249 14.157 632 HG12 ILE 87 1HG1 ILE 87 4.625 7.795 12.866 633 HG13 ILE 87 2HG1 ILE 87 4.145 7.626 14.550 634 HG21 ILE 87 1HG2 ILE 87 4.622 5.899 11.411 635 HG22 ILE 87 2HG2 ILE 87 5.028 4.535 12.452 636 HG23 ILE 87 3HG2 ILE 87 3.452 4.605 11.665 637 HD11 ILE 87 3HD1 ILE 87 6.132 5.667 13.798 638 HD12 ILE 87 1HD1 ILE 87 6.684 7.318 13.515 639 HD13 ILE 87 2HD1 ILE 87 6.135 6.834 15.120 640 H HIS 88 H HIS 88 1.520 5.795 10.683 641 HA HIS 88 HA HIS 88 -0.054 3.475 11.588 642 HB2 HIS 88 1HB HIS 88 -0.514 5.521 9.474 643 HB3 HIS 88 2HB HIS 88 -1.066 3.880 9.152 644 HD1 HIS 88 1HD HIS 88 -2.658 2.881 11.181 645 HD2 HIS 88 2HD HIS 88 -2.312 7.007 10.840 646 HE1 HIS 88 1HE HIS 88 -4.620 3.827 12.438 647 HE2 HIS 88 2HE HIS 88 -4.437 6.322 12.145 648 H LYS 89 H LYS 89 0.943 1.617 11.210 649 HA LYS 89 HA LYS 89 2.759 1.409 8.913 650 HB2 LYS 89 1HB LYS 89 2.495 -0.571 11.170 651 HB3 LYS 89 2HB LYS 89 3.823 -0.401 10.030 652 HG2 LYS 89 1HG LYS 89 3.960 2.009 11.117 653 HG3 LYS 89 2HG LYS 89 3.195 1.166 12.466 654 HD2 LYS 89 1HD LYS 89 5.389 0.802 12.986 655 HD3 LYS 89 2HD LYS 89 5.097 -0.605 11.962 656 HE2 LYS 89 1HE LYS 89 6.405 1.993 11.174 657 HE3 LYS 89 2HE LYS 89 7.167 0.409 11.298 658 HZ1 LYS 89 3HZ LYS 89 5.120 1.252 9.321 659 HZ2 LYS 89 1HZ LYS 89 5.662 -0.341 9.499 660 HZ3 LYS 89 2HZ LYS 89 6.739 0.869 9.013 661 H VAL 90 H VAL 90 1.736 0.707 7.148 662 HA VAL 90 HA VAL 90 -0.182 -1.513 7.437 663 HB VAL 90 HB VAL 90 -0.041 0.399 5.109 664 HG11 VAL 90 1HG1 VAL 90 -1.311 -1.237 4.239 665 HG12 VAL 90 2HG1 VAL 90 -1.665 -1.940 5.818 666 HG13 VAL 90 3HG1 VAL 90 -2.584 -0.548 5.245 667 HG21 VAL 90 3HG2 VAL 90 -2.361 0.803 6.720 668 HG22 VAL 90 1HG2 VAL 90 -0.925 0.961 7.731 669 HG23 VAL 90 2HG2 VAL 90 -1.100 1.957 6.286 670 H THR 91 H THR 91 0.018 -3.306 6.150 671 HA THR 91 HA THR 91 2.423 -3.432 4.448 672 HB THR 91 HB THR 91 1.259 -5.692 6.086 673 HG1 THR 91 1HG THR 91 3.731 -4.333 6.464 674 HG21 THR 91 3HG2 THR 91 3.094 -7.005 5.358 675 HG22 THR 91 1HG2 THR 91 3.892 -5.614 4.626 676 HG23 THR 91 2HG2 THR 91 2.420 -6.264 3.906 677 H VAL 92 H VAL 92 1.994 -3.787 2.379 678 HA VAL 92 HA VAL 92 -0.568 -5.044 1.661 679 HB VAL 92 HB VAL 92 1.205 -3.327 -0.081 680 HG11 VAL 92 1HG1 VAL 92 -0.869 -5.106 -0.731 681 HG12 VAL 92 2HG1 VAL 92 -1.542 -3.483 -0.887 682 HG13 VAL 92 3HG1 VAL 92 -0.089 -3.926 -1.783 683 HG21 VAL 92 3HG2 VAL 92 0.413 -1.663 1.210 684 HG22 VAL 92 1HG2 VAL 92 -1.072 -1.898 0.287 685 HG23 VAL 92 2HG2 VAL 92 -0.888 -2.656 1.869 686 H LEU 93 H LEU 93 -0.637 -6.797 0.325 687 HA LEU 93 HA LEU 93 1.945 -8.071 -0.261 688 HB2 LEU 93 1HB LEU 93 -0.783 -9.344 -0.183 689 HB3 LEU 93 2HB LEU 93 0.770 -10.168 -0.301 690 HG LEU 93 HG LEU 93 -0.220 -8.620 2.093 691 HD11 LEU 93 1HD1 LEU 93 0.288 -11.424 2.498 692 HD12 LEU 93 2HD1 LEU 93 -0.914 -11.181 1.231 693 HD13 LEU 93 3HD1 LEU 93 -1.168 -10.485 2.831 694 HD21 LEU 93 3HD2 LEU 93 2.378 -9.835 1.367 695 HD22 LEU 93 1HD2 LEU 93 1.807 -10.098 3.015 696 HD23 LEU 93 2HD2 LEU 93 2.018 -8.456 2.407 697 H ALA 94 H ALA 94 2.473 -8.731 -2.298 698 HA ALA 94 HA ALA 94 0.584 -8.011 -4.444 699 HB1 ALA 94 3HB ALA 94 3.535 -7.601 -4.216 700 HB2 ALA 94 1HB ALA 94 2.785 -7.769 -5.804 701 HB3 ALA 94 2HB ALA 94 2.281 -6.470 -4.723 702 H SER 95 H SER 95 0.170 -9.488 -6.000 703 HA SER 95 HA SER 95 1.819 -11.906 -6.135 704 HB2 SER 95 1HB SER 95 -0.086 -12.399 -4.629 705 HB3 SER 95 2HB SER 95 -1.202 -11.950 -5.918 706 HG SER 95 HG SER 95 -0.913 -13.837 -6.787 707 H ASP 96 H ASP 96 1.943 -12.842 -8.141 708 HA ASP 96 HA ASP 96 0.329 -11.667 -10.295 709 HB2 ASP 96 1HB ASP 96 2.183 -11.226 -11.669 710 HB3 ASP 96 2HB ASP 96 2.681 -10.648 -10.081 711 H GLY 97 H GLY 97 2.344 -14.309 -9.141 712 HA2 GLY 97 1HA GLY 97 0.802 -16.380 -10.041 713 HA3 GLY 97 2HA GLY 97 1.839 -15.997 -11.408 714 H SER 98 H SER 98 2.776 -15.718 -8.031 715 HA SER 98 HA SER 98 4.706 -17.902 -8.472 716 HB2 SER 98 1HB SER 98 5.463 -15.400 -8.087 717 HB3 SER 98 2HB SER 98 5.171 -15.799 -6.395 718 HG SER 98 HG SER 98 7.334 -16.229 -7.053 719 H SER 99 H SER 99 5.583 -18.542 -6.093 720 HA SER 99 HA SER 99 3.398 -19.908 -4.885 721 HB2 SER 99 1HB SER 99 6.220 -19.582 -3.837 722 HB3 SER 99 2HB SER 99 5.053 -20.808 -3.343 723 HG SER 99 HG SER 99 5.102 -21.239 -5.796 724 H THR 100 H THR 100 5.755 -17.795 -3.255 725 HA THR 100 HA THR 100 3.626 -16.946 -1.425 726 HB THR 100 HB THR 100 6.625 -16.639 -1.180 727 HG1 THR 100 1HG THR 100 5.689 -18.803 -0.926 728 HG21 THR 100 3HG2 THR 100 5.303 -14.845 -0.062 729 HG22 THR 100 1HG2 THR 100 6.227 -15.845 1.057 730 HG23 THR 100 2HG2 THR 100 4.490 -16.092 0.882 731 HA PRO 101 HA PRO 101 3.413 -13.000 -3.411 732 HB2 PRO 101 1HB PRO 101 2.043 -11.697 -1.463 733 HB3 PRO 101 2HB PRO 101 1.286 -12.865 -2.553 734 HG2 PRO 101 1HG PRO 101 2.253 -13.245 0.254 735 HG3 PRO 101 2HG PRO 101 0.757 -13.824 -0.502 736 HD2 PRO 101 1HD PRO 101 2.916 -15.417 -0.139 737 HD3 PRO 101 2HD PRO 101 1.809 -15.607 -1.513 738 H ALA 102 H ALA 102 4.027 -10.746 -3.018 739 HA ALA 102 HA ALA 102 6.390 -10.603 -1.298 740 HB1 ALA 102 3HB ALA 102 6.026 -8.237 -2.850 741 HB2 ALA 102 1HB ALA 102 7.292 -9.460 -2.969 742 HB3 ALA 102 2HB ALA 102 5.796 -9.646 -3.885 743 H ARG 103 H ARG 103 6.445 -9.446 0.520 744 HA ARG 103 HA ARG 103 4.140 -7.721 1.125 745 HB2 ARG 103 1HB ARG 103 4.421 -8.212 3.405 746 HB3 ARG 103 2HB ARG 103 4.688 -9.748 2.591 747 HG2 ARG 103 1HG ARG 103 7.043 -9.581 2.873 748 HG3 ARG 103 2HG ARG 103 6.915 -7.912 3.431 749 HD2 ARG 103 1HD ARG 103 7.145 -9.023 5.428 750 HD3 ARG 103 2HD ARG 103 5.389 -8.962 5.277 751 HE ARG 103 HE ARG 103 5.381 -11.237 5.169 752 HH11 ARG 103 1HH1 ARG 103 8.558 -10.100 4.312 753 HH12 ARG 103 2HH1 ARG 103 9.240 -11.689 4.205 754 HH21 ARG 103 1HH2 ARG 103 6.267 -13.334 5.030 755 HH22 ARG 103 2HH2 ARG 103 7.936 -13.528 4.613 756 H ALA 104 H ALA 104 4.470 -5.696 2.113 757 HA ALA 104 HA ALA 104 7.196 -4.673 2.265 758 HB1 ALA 104 3HB ALA 104 6.786 -2.788 0.834 759 HB2 ALA 104 1HB ALA 104 6.425 -4.266 -0.059 760 HB3 ALA 104 2HB ALA 104 5.111 -3.283 0.590 761 H THR 105 H THR 105 7.379 -3.658 4.141 762 HA THR 105 HA THR 105 5.031 -2.795 5.590 763 HB THR 105 HB THR 105 7.933 -2.523 6.395 764 HG1 THR 105 1HG THR 105 7.805 -4.631 6.553 765 HG21 THR 105 3HG2 THR 105 7.166 -1.515 8.226 766 HG22 THR 105 1HG2 THR 105 6.121 -2.893 8.567 767 HG23 THR 105 2HG2 THR 105 5.534 -1.568 7.562 768 H VAL 106 H VAL 106 4.169 -0.851 5.335 769 HA VAL 106 HA VAL 106 5.883 1.359 4.424 770 HB VAL 106 HB VAL 106 2.877 1.076 4.301 771 HG11 VAL 106 1HG1 VAL 106 4.692 3.366 3.876 772 HG12 VAL 106 2HG1 VAL 106 3.423 3.137 2.671 773 HG13 VAL 106 3HG1 VAL 106 3.000 3.333 4.372 774 HG21 VAL 106 3HG2 VAL 106 3.107 0.227 2.249 775 HG22 VAL 106 1HG2 VAL 106 4.316 1.431 1.803 776 HG23 VAL 106 2HG2 VAL 106 4.803 -0.033 2.657 777 H THR 107 H THR 107 5.946 3.295 5.510 778 HA THR 107 HA THR 107 4.633 3.337 8.150 779 HB THR 107 HB THR 107 7.277 4.602 7.403 780 HG1 THR 107 1HG THR 107 7.844 2.555 7.701 781 HG21 THR 107 3HG2 THR 107 7.136 5.775 9.291 782 HG22 THR 107 1HG2 THR 107 6.808 4.311 10.218 783 HG23 THR 107 2HG2 THR 107 5.478 5.207 9.484 784 H ILE 108 H ILE 108 3.343 5.010 8.595 785 HA ILE 108 HA ILE 108 3.420 7.332 6.780 786 HB ILE 108 HB ILE 108 1.008 6.252 8.240 787 HG12 ILE 108 1HG1 ILE 108 1.405 6.219 5.261 788 HG13 ILE 108 2HG1 ILE 108 2.014 4.905 6.261 789 HG21 ILE 108 1HG2 ILE 108 0.897 8.215 5.998 790 HG22 ILE 108 2HG2 ILE 108 -0.240 7.949 7.319 791 HG23 ILE 108 3HG2 ILE 108 1.287 8.777 7.623 792 HD11 ILE 108 3HD1 ILE 108 -0.021 4.069 5.698 793 HD12 ILE 108 1HD1 ILE 108 -0.452 4.923 7.179 794 HD13 ILE 108 2HD1 ILE 108 -0.776 5.660 5.610 795 H ASN 109 H ASN 109 4.128 9.112 7.735 796 HA ASN 109 HA ASN 109 4.026 9.352 10.635 797 HB2 ASN 109 1HB ASN 109 5.537 10.697 8.443 798 HB3 ASN 109 2HB ASN 109 5.280 11.592 9.938 799 HD21 ASN 109 1HD2 ASN 109 7.125 9.253 8.358 800 HD22 ASN 109 2HD2 ASN 109 8.065 8.726 9.708 801 H VAL 110 H VAL 110 2.739 10.717 11.735 802 HA VAL 110 HA VAL 110 0.815 12.294 10.176 803 HB VAL 110 HB VAL 110 0.710 11.307 13.027 804 HG11 VAL 110 1HG1 VAL 110 -1.563 12.262 13.085 805 HG12 VAL 110 2HG1 VAL 110 -0.315 13.499 12.919 806 HG13 VAL 110 3HG1 VAL 110 -1.268 13.011 11.516 807 HG21 VAL 110 3HG2 VAL 110 -1.529 10.459 11.617 808 HG22 VAL 110 1HG2 VAL 110 -0.191 10.261 10.485 809 HG23 VAL 110 2HG2 VAL 110 -0.132 9.481 12.066 810 H THR 111 H THR 111 1.741 14.248 9.826 811 HA THR 111 HA THR 111 3.174 15.622 11.936 812 HB THR 111 HB THR 111 3.575 17.377 10.298 813 HG1 THR 111 1HG THR 111 2.712 16.908 8.096 814 HG21 THR 111 3HG2 THR 111 5.249 16.079 9.609 815 HG22 THR 111 1HG2 THR 111 4.183 15.410 8.375 816 HG23 THR 111 2HG2 THR 111 4.310 14.626 9.950 817 H ASP 112 H ASP 112 2.630 17.853 12.532 818 HA ASP 112 HA ASP 112 -0.142 18.060 13.247 819 HB2 ASP 112 1HB ASP 112 1.864 20.269 13.604 820 HB3 ASP 112 2HB ASP 112 0.488 19.851 14.621 821 H VAL 113 H VAL 113 -1.249 20.259 12.975 822 HA VAL 113 HA VAL 113 -0.692 21.458 10.360 823 HB VAL 113 HB VAL 113 -3.077 21.399 9.754 824 HG11 VAL 113 1HG1 VAL 113 -2.929 19.366 8.753 825 HG12 VAL 113 2HG1 VAL 113 -1.268 19.487 9.337 826 HG13 VAL 113 3HG1 VAL 113 -2.454 18.544 10.239 827 HG21 VAL 113 3HG2 VAL 113 -4.064 19.311 11.345 828 HG22 VAL 113 1HG2 VAL 113 -3.344 20.474 12.458 829 HG23 VAL 113 2HG2 VAL 113 -4.594 20.993 11.328 830 H ASN 114 H ASN 114 -0.622 23.590 10.553 831 HA ASN 114 HA ASN 114 -1.957 24.852 12.838 832 HB2 ASN 114 1HB ASN 114 -0.465 26.763 12.415 833 HB3 ASN 114 2HB ASN 114 0.447 25.272 12.632 834 HD21 ASN 114 1HD2 ASN 114 1.538 24.382 10.902 835 HD22 ASN 114 2HD2 ASN 114 1.809 25.245 9.431 Start of MODEL 19 1 H1 GLY 1 H GLY 1 6.175 -2.903 -38.489 2 HA2 GLY 1 1HA GLY 1 6.025 -1.371 -36.197 3 HA3 GLY 1 2HA GLY 1 4.717 -2.537 -36.067 4 H SER 2 H SER 2 6.648 -2.568 -34.175 5 HA SER 2 HA SER 2 7.652 -5.227 -34.385 6 HB2 SER 2 1HB SER 2 9.316 -3.634 -35.668 7 HB3 SER 2 2HB SER 2 9.861 -3.235 -34.039 8 HG SER 2 HG SER 2 10.146 -5.577 -35.485 9 H SER 3 H SER 3 8.623 -5.975 -32.408 10 HA SER 3 HA SER 3 8.977 -4.348 -30.133 11 HB2 SER 3 1HB SER 3 6.391 -4.385 -30.536 12 HB3 SER 3 2HB SER 3 6.493 -6.008 -29.853 13 HG SER 3 HG SER 3 7.829 -4.694 -28.171 14 H GLY 4 H GLY 4 10.299 -5.426 -28.820 15 HA2 GLY 4 1HA GLY 4 10.052 -8.350 -28.638 16 HA3 GLY 4 2HA GLY 4 11.606 -7.653 -29.072 17 H SER 5 H SER 5 10.763 -9.269 -26.729 18 HA SER 5 HA SER 5 12.172 -7.772 -24.742 19 HB2 SER 5 1HB SER 5 10.448 -7.508 -23.112 20 HB3 SER 5 2HB SER 5 9.813 -6.844 -24.617 21 HG SER 5 HG SER 5 8.432 -8.353 -23.338 22 H SER 6 H SER 6 12.355 -9.019 -22.677 23 HA SER 6 HA SER 6 12.180 -11.912 -23.221 24 HB2 SER 6 1HB SER 6 14.505 -11.075 -23.176 25 HB3 SER 6 2HB SER 6 14.243 -10.460 -21.545 26 HG SER 6 HG SER 6 14.917 -12.933 -22.315 27 H GLY 7 H GLY 7 12.037 -13.284 -21.263 28 HA2 GLY 7 1HA GLY 7 10.989 -12.007 -18.870 29 HA3 GLY 7 2HA GLY 7 9.839 -12.982 -19.773 30 H ASN 8 H ASN 8 10.939 -13.335 -17.058 31 HA ASN 8 HA ASN 8 11.603 -16.144 -17.324 32 HB2 ASN 8 1HB ASN 8 13.502 -14.115 -16.166 33 HB3 ASN 8 2HB ASN 8 13.544 -15.801 -15.658 34 HD21 ASN 8 1HD2 ASN 8 13.964 -17.413 -17.266 35 HD22 ASN 8 2HD2 ASN 8 14.894 -17.013 -18.666 36 H ASP 9 H ASP 9 11.524 -17.284 -15.254 37 HA ASP 9 HA ASP 9 9.278 -16.686 -13.755 38 HB2 ASP 9 1HB ASP 9 11.694 -18.310 -12.929 39 HB3 ASP 9 2HB ASP 9 10.133 -18.336 -12.113 40 H ASN 10 H ASN 10 8.865 -15.111 -12.366 41 HA ASN 10 HA ASN 10 10.761 -14.366 -10.334 42 HB2 ASN 10 1HB ASN 10 10.106 -12.513 -12.610 43 HB3 ASN 10 2HB ASN 10 10.521 -11.875 -11.022 44 HD21 ASN 10 1HD2 ASN 10 11.662 -13.600 -13.811 45 HD22 ASN 10 2HD2 ASN 10 13.347 -13.483 -13.446 46 H ARG 11 H ARG 11 9.793 -13.429 -8.572 47 HA ARG 11 HA ARG 11 6.889 -13.488 -8.556 48 HB2 ARG 11 1HB ARG 11 9.025 -13.408 -6.466 49 HB3 ARG 11 2HB ARG 11 7.402 -12.880 -6.043 50 HG2 ARG 11 1HG ARG 11 7.390 -15.110 -5.447 51 HG3 ARG 11 2HG ARG 11 6.655 -15.136 -7.051 52 HD2 ARG 11 1HD ARG 11 8.174 -16.846 -7.244 53 HD3 ARG 11 2HD ARG 11 9.125 -15.487 -7.842 54 HE ARG 11 HE ARG 11 9.466 -15.817 -5.044 55 HH11 ARG 11 1HH1 ARG 11 10.395 -17.157 -8.121 56 HH12 ARG 11 2HH1 ARG 11 11.896 -17.794 -7.537 57 HH21 ARG 11 1HH2 ARG 11 11.441 -16.651 -4.264 58 HH22 ARG 11 2HH2 ARG 11 12.490 -17.506 -5.343 59 HA PRO 12 HA PRO 12 6.191 -9.159 -8.732 60 HB2 PRO 12 1HB PRO 12 4.077 -8.877 -7.052 61 HB3 PRO 12 2HB PRO 12 3.944 -9.631 -8.646 62 HG2 PRO 12 1HG PRO 12 4.184 -10.921 -5.955 63 HG3 PRO 12 2HG PRO 12 3.131 -11.354 -7.314 64 HD2 PRO 12 1HD PRO 12 5.430 -12.678 -6.774 65 HD3 PRO 12 2HD PRO 12 4.812 -12.472 -8.425 66 H VAL 13 H VAL 13 8.066 -8.308 -7.785 67 HA VAL 13 HA VAL 13 8.002 -7.869 -4.881 68 HB VAL 13 HB VAL 13 10.364 -7.310 -5.040 69 HG11 VAL 13 1HG1 VAL 13 9.435 -9.884 -6.251 70 HG12 VAL 13 2HG1 VAL 13 11.158 -9.555 -6.058 71 HG13 VAL 13 3HG1 VAL 13 10.100 -9.580 -4.646 72 HG21 VAL 13 3HG2 VAL 13 10.139 -7.893 -7.990 73 HG22 VAL 13 1HG2 VAL 13 10.262 -6.279 -7.290 74 HG23 VAL 13 2HG2 VAL 13 11.594 -7.422 -7.112 75 H PHE 14 H PHE 14 8.954 -5.724 -4.173 76 HA PHE 14 HA PHE 14 7.630 -3.602 -5.695 77 HB2 PHE 14 1HB PHE 14 8.633 -3.716 -2.846 78 HB3 PHE 14 2HB PHE 14 7.962 -2.267 -3.587 79 HD1 PHE 14 2HD PHE 14 7.226 -5.594 -2.274 80 HD2 PHE 14 1HD PHE 14 5.600 -2.092 -4.065 81 HE1 PHE 14 2HE PHE 14 4.963 -6.329 -1.648 82 HE2 PHE 14 1HE PHE 14 3.334 -2.821 -3.442 83 HZ PHE 14 HZ PHE 14 3.013 -4.943 -2.232 84 H LYS 15 H LYS 15 8.673 -1.619 -6.145 85 HA LYS 15 HA LYS 15 11.300 -1.844 -7.102 86 HB2 LYS 15 1HB LYS 15 9.751 -0.242 -8.052 87 HB3 LYS 15 2HB LYS 15 9.636 0.610 -6.518 88 HG2 LYS 15 1HG LYS 15 11.814 1.462 -6.703 89 HG3 LYS 15 2HG LYS 15 12.235 0.330 -7.990 90 HD2 LYS 15 1HD LYS 15 10.017 2.303 -8.378 91 HD3 LYS 15 2HD LYS 15 11.698 2.801 -8.585 92 HE2 LYS 15 1HE LYS 15 10.542 0.401 -9.980 93 HE3 LYS 15 2HE LYS 15 10.456 2.022 -10.666 94 HZ1 LYS 15 3HZ LYS 15 12.750 2.130 -10.896 95 HZ2 LYS 15 1HZ LYS 15 12.400 0.534 -11.335 96 HZ3 LYS 15 2HZ LYS 15 13.033 0.870 -9.803 97 H GLU 16 H GLU 16 10.010 -0.498 -4.108 98 HA GLU 16 HA GLU 16 12.768 -0.331 -3.091 99 HB2 GLU 16 1HB GLU 16 12.088 1.615 -1.734 100 HB3 GLU 16 2HB GLU 16 11.965 1.928 -3.460 101 HG2 GLU 16 1HG GLU 16 9.475 1.150 -3.065 102 HG3 GLU 16 2HG GLU 16 9.829 1.670 -1.418 103 H GLY 17 H GLY 17 9.439 -1.165 -2.541 104 HA2 GLY 17 1HA GLY 17 8.575 -2.693 -1.030 105 HA3 GLY 17 2HA GLY 17 10.185 -2.879 -0.350 106 H GLN 18 H GLN 18 10.943 -0.744 0.794 107 HA GLN 18 HA GLN 18 8.787 -0.036 2.656 108 HB2 GLN 18 1HB GLN 18 11.791 0.062 2.964 109 HB3 GLN 18 2HB GLN 18 10.657 0.651 4.173 110 HG2 GLN 18 1HG GLN 18 9.670 -1.692 4.157 111 HG3 GLN 18 2HG GLN 18 11.112 -2.168 3.262 112 HE21 GLN 18 1HE2 GLN 18 11.232 -3.567 5.245 113 HE22 GLN 18 2HE2 GLN 18 12.109 -2.938 6.593 114 H VAL 19 H VAL 19 8.215 2.050 3.043 115 HA VAL 19 HA VAL 19 9.790 4.236 1.963 116 HB VAL 19 HB VAL 19 6.917 3.937 1.091 117 HG11 VAL 19 1HG1 VAL 19 7.729 6.232 1.245 118 HG12 VAL 19 2HG1 VAL 19 9.106 5.823 0.220 119 HG13 VAL 19 3HG1 VAL 19 7.469 5.766 -0.436 120 HG21 VAL 19 3HG2 VAL 19 9.392 3.463 -0.568 121 HG22 VAL 19 1HG2 VAL 19 8.362 2.190 0.087 122 HG23 VAL 19 2HG2 VAL 19 7.716 3.324 -1.098 123 H GLU 20 H GLU 20 9.583 6.055 3.145 124 HA GLU 20 HA GLU 20 7.532 6.048 5.257 125 HB2 GLU 20 1HB GLU 20 9.919 5.975 5.992 126 HB3 GLU 20 2HB GLU 20 10.158 7.541 5.230 127 HG2 GLU 20 1HG GLU 20 8.052 7.140 7.318 128 HG3 GLU 20 2HG GLU 20 9.730 7.458 7.754 129 H VAL 21 H VAL 21 5.895 7.375 4.880 130 HA VAL 21 HA VAL 21 6.404 9.859 3.377 131 HB VAL 21 HB VAL 21 3.928 9.830 2.919 132 HG11 VAL 21 1HG1 VAL 21 5.535 9.156 1.228 133 HG12 VAL 21 2HG1 VAL 21 5.560 7.516 1.878 134 HG13 VAL 21 3HG1 VAL 21 4.091 8.148 1.135 135 HG21 VAL 21 3HG2 VAL 21 3.729 8.005 4.855 136 HG22 VAL 21 1HG2 VAL 21 2.571 8.114 3.529 137 HG23 VAL 21 2HG2 VAL 21 3.868 6.920 3.472 138 H HIS 22 H HIS 22 4.980 11.700 3.959 139 HA HIS 22 HA HIS 22 4.176 11.689 6.783 140 HB2 HIS 22 1HB HIS 22 5.211 13.876 7.130 141 HB3 HIS 22 2HB HIS 22 6.420 12.692 6.640 142 HD1 HIS 22 1HD HIS 22 6.719 12.752 3.812 143 HD2 HIS 22 2HD HIS 22 5.546 16.199 5.814 144 HE1 HIS 22 1HE HIS 22 7.265 14.652 2.257 145 HE2 HIS 22 2HE HIS 22 6.626 16.732 3.524 146 H ILE 23 H ILE 23 2.046 12.002 6.690 147 HA ILE 23 HA ILE 23 1.050 14.209 5.011 148 HB ILE 23 HB ILE 23 0.382 12.051 4.043 149 HG12 ILE 23 1HG1 ILE 23 -1.760 13.780 5.272 150 HG13 ILE 23 2HG1 ILE 23 -1.135 13.823 3.627 151 HG21 ILE 23 1HG2 ILE 23 -0.738 10.393 5.172 152 HG22 ILE 23 2HG2 ILE 23 0.317 11.008 6.443 153 HG23 ILE 23 3HG2 ILE 23 -1.376 11.500 6.387 154 HD11 ILE 23 3HD1 ILE 23 -2.153 11.248 3.970 155 HD12 ILE 23 1HD1 ILE 23 -3.332 12.333 4.707 156 HD13 ILE 23 2HD1 ILE 23 -2.848 12.565 3.026 157 HA PRO 24 HA PRO 24 -0.550 15.811 8.801 158 HB2 PRO 24 1HB PRO 24 -2.291 17.606 7.744 159 HB3 PRO 24 2HB PRO 24 -0.541 17.856 7.753 160 HG2 PRO 24 1HG PRO 24 -2.304 16.876 5.541 161 HG3 PRO 24 2HG PRO 24 -0.966 18.037 5.474 162 HD2 PRO 24 1HD PRO 24 -0.690 15.451 4.721 163 HD3 PRO 24 2HD PRO 24 0.636 16.380 5.449 164 H GLU 25 H GLU 25 -2.695 16.218 9.854 165 HA GLU 25 HA GLU 25 -4.427 13.948 9.372 166 HB2 GLU 25 1HB GLU 25 -5.544 14.632 11.447 167 HB3 GLU 25 2HB GLU 25 -3.804 14.502 11.665 168 HG2 GLU 25 1HG GLU 25 -4.175 16.464 12.740 169 HG3 GLU 25 2HG GLU 25 -3.887 17.076 11.113 170 H ASN 26 H ASN 26 -4.446 17.391 8.879 171 HA ASN 26 HA ASN 26 -7.280 17.562 8.403 172 HB2 ASN 26 1HB ASN 26 -5.793 19.450 9.254 173 HB3 ASN 26 2HB ASN 26 -5.198 19.596 7.603 174 HD21 ASN 26 1HD2 ASN 26 -6.010 21.661 7.361 175 HD22 ASN 26 2HD2 ASN 26 -7.700 21.980 7.198 176 H ALA 27 H ALA 27 -4.664 16.441 6.634 177 HA ALA 27 HA ALA 27 -4.812 17.233 4.079 178 HB1 ALA 27 3HB ALA 27 -3.343 15.469 4.572 179 HB2 ALA 27 1HB ALA 27 -4.647 14.430 5.148 180 HB3 ALA 27 2HB ALA 27 -4.501 14.792 3.427 181 HA PRO 28 HA PRO 28 -8.976 16.804 2.687 182 HB2 PRO 28 1HB PRO 28 -8.507 16.892 0.014 183 HB3 PRO 28 2HB PRO 28 -8.418 18.320 1.053 184 HG2 PRO 28 1HG PRO 28 -6.205 16.589 0.019 185 HG3 PRO 28 2HG PRO 28 -6.284 18.357 0.129 186 HD2 PRO 28 1HD PRO 28 -4.947 16.843 1.933 187 HD3 PRO 28 2HD PRO 28 -5.746 18.366 2.370 188 H VAL 29 H VAL 29 -10.336 15.181 2.118 189 HA VAL 29 HA VAL 29 -9.379 12.532 1.974 190 HB VAL 29 HB VAL 29 -12.088 13.739 1.466 191 HG11 VAL 29 1HG1 VAL 29 -12.655 11.937 0.286 192 HG12 VAL 29 2HG1 VAL 29 -11.119 11.141 0.634 193 HG13 VAL 29 3HG1 VAL 29 -12.461 11.007 1.771 194 HG21 VAL 29 3HG2 VAL 29 -11.200 11.818 3.607 195 HG22 VAL 29 1HG2 VAL 29 -11.122 13.570 3.788 196 HG23 VAL 29 2HG2 VAL 29 -12.679 12.776 3.554 197 H GLY 30 H GLY 30 -8.537 11.472 0.311 198 HA2 GLY 30 1HA GLY 30 -8.902 10.615 -1.950 199 HA3 GLY 30 2HA GLY 30 -9.389 12.240 -2.411 200 H THR 31 H THR 31 -6.770 12.264 -0.288 201 HA THR 31 HA THR 31 -5.003 13.168 -2.385 202 HB THR 31 HB THR 31 -4.329 12.806 0.537 203 HG1 THR 31 1HG THR 31 -6.224 14.270 -0.200 204 HG21 THR 31 3HG2 THR 31 -2.748 13.491 -1.639 205 HG22 THR 31 1HG2 THR 31 -2.367 13.767 0.061 206 HG23 THR 31 2HG2 THR 31 -3.140 15.038 -0.888 207 H SER 32 H SER 32 -3.132 12.199 -3.085 208 HA SER 32 HA SER 32 -2.994 9.335 -2.754 209 HB2 SER 32 1HB SER 32 -1.413 9.356 -4.533 210 HB3 SER 32 2HB SER 32 -2.615 10.580 -4.943 211 HG SER 32 HG SER 32 -1.109 12.111 -3.940 212 H VAL 33 H VAL 33 -1.962 8.426 -1.115 213 HA VAL 33 HA VAL 33 0.062 9.881 0.363 214 HB VAL 33 HB VAL 33 -0.870 7.051 0.840 215 HG11 VAL 33 1HG1 VAL 33 1.254 8.218 1.920 216 HG12 VAL 33 2HG1 VAL 33 0.024 8.882 2.998 217 HG13 VAL 33 3HG1 VAL 33 0.212 7.135 2.842 218 HG21 VAL 33 3HG2 VAL 33 -2.049 8.830 2.690 219 HG22 VAL 33 1HG2 VAL 33 -2.352 9.478 1.078 220 HG23 VAL 33 2HG2 VAL 33 -2.850 7.834 1.475 221 H ILE 34 H ILE 34 -0.073 6.600 -1.040 222 HA ILE 34 HA ILE 34 2.665 6.941 -2.007 223 HB ILE 34 HB ILE 34 2.914 5.882 0.184 224 HG12 ILE 34 1HG1 ILE 34 3.371 3.827 -1.983 225 HG13 ILE 34 2HG1 ILE 34 4.369 5.264 -1.791 226 HG21 ILE 34 1HG2 ILE 34 2.016 3.365 0.111 227 HG22 ILE 34 2HG2 ILE 34 1.076 4.699 0.776 228 HG23 ILE 34 3HG2 ILE 34 0.770 4.139 -0.868 229 HD11 ILE 34 3HD1 ILE 34 4.187 2.837 -0.088 230 HD12 ILE 34 1HD1 ILE 34 5.605 3.718 -0.657 231 HD13 ILE 34 2HD1 ILE 34 4.626 4.374 0.656 232 H GLN 35 H GLN 35 3.270 5.445 -3.659 233 HA GLN 35 HA GLN 35 1.046 3.919 -4.826 234 HB2 GLN 35 1HB GLN 35 1.271 6.073 -6.013 235 HB3 GLN 35 2HB GLN 35 2.950 5.688 -6.371 236 HG2 GLN 35 1HG GLN 35 2.388 4.050 -7.898 237 HG3 GLN 35 2HG GLN 35 0.775 3.829 -7.222 238 HE21 GLN 35 1HE2 GLN 35 -0.485 4.217 -8.936 239 HE22 GLN 35 2HE2 GLN 35 -0.500 5.689 -9.840 240 H LEU 36 H LEU 36 1.709 1.875 -4.595 241 HA LEU 36 HA LEU 36 4.517 1.197 -5.009 242 HB2 LEU 36 1HB LEU 36 2.219 -0.546 -4.133 243 HB3 LEU 36 2HB LEU 36 3.925 -0.992 -4.132 244 HG LEU 36 HG LEU 36 2.939 1.315 -2.490 245 HD11 LEU 36 1HD1 LEU 36 1.968 -1.267 -2.184 246 HD12 LEU 36 2HD1 LEU 36 1.933 0.026 -0.986 247 HD13 LEU 36 3HD1 LEU 36 3.260 -1.135 -0.991 248 HD21 LEU 36 3HD2 LEU 36 5.394 -0.292 -2.756 249 HD22 LEU 36 1HD2 LEU 36 4.910 0.105 -1.107 250 HD23 LEU 36 2HD2 LEU 36 5.182 1.394 -2.280 251 H HIS 37 H HIS 37 5.279 0.092 -6.722 252 HA HIS 37 HA HIS 37 3.325 -0.739 -8.764 253 HB2 HIS 37 1HB HIS 37 5.122 1.167 -9.156 254 HB3 HIS 37 2HB HIS 37 6.180 -0.208 -9.462 255 HD1 HIS 37 1HD HIS 37 6.395 0.367 -11.962 256 HD2 HIS 37 2HD HIS 37 2.494 -0.350 -10.727 257 HE1 HIS 37 1HE HIS 37 5.054 0.131 -14.076 258 HE2 HIS 37 2HE HIS 37 2.682 -0.217 -13.303 259 H ALA 38 H ALA 38 3.373 -2.782 -9.520 260 HA ALA 38 HA ALA 38 5.587 -4.517 -8.643 261 HB1 ALA 38 3HB ALA 38 3.779 -6.341 -8.553 262 HB2 ALA 38 1HB ALA 38 3.857 -5.176 -7.231 263 HB3 ALA 38 2HB ALA 38 2.634 -5.002 -8.490 264 H THR 39 H THR 39 6.649 -4.559 -10.591 265 HA THR 39 HA THR 39 5.147 -5.360 -12.976 266 HB THR 39 HB THR 39 7.314 -4.885 -14.176 267 HG1 THR 39 1HG THR 39 8.072 -3.592 -11.762 268 HG21 THR 39 3HG2 THR 39 6.669 -2.375 -12.754 269 HG22 THR 39 1HG2 THR 39 5.313 -3.213 -13.509 270 HG23 THR 39 2HG2 THR 39 6.700 -2.723 -14.483 271 H ASP 40 H ASP 40 5.055 -7.442 -13.467 272 HA ASP 40 HA ASP 40 7.381 -9.141 -12.860 273 HB2 ASP 40 1HB ASP 40 5.204 -9.401 -11.399 274 HB3 ASP 40 2HB ASP 40 4.622 -10.296 -12.801 275 H ALA 41 H ALA 41 7.620 -11.008 -14.244 276 HA ALA 41 HA ALA 41 7.521 -10.491 -16.935 277 HB1 ALA 41 3HB ALA 41 8.676 -12.382 -16.982 278 HB2 ALA 41 1HB ALA 41 8.238 -12.682 -15.300 279 HB3 ALA 41 2HB ALA 41 7.221 -13.303 -16.600 280 H ASP 42 H ASP 42 5.807 -10.018 -18.140 281 HA ASP 42 HA ASP 42 3.235 -11.284 -17.575 282 HB2 ASP 42 1HB ASP 42 2.447 -9.616 -19.366 283 HB3 ASP 42 2HB ASP 42 2.979 -8.960 -17.820 284 H ILE 43 H ILE 43 5.742 -12.358 -19.104 285 HA ILE 43 HA ILE 43 5.129 -12.783 -21.774 286 HB ILE 43 HB ILE 43 7.274 -13.445 -21.108 287 HG12 ILE 43 1HG1 ILE 43 5.871 -16.106 -21.334 288 HG13 ILE 43 2HG1 ILE 43 6.032 -15.011 -22.703 289 HG21 ILE 43 1HG2 ILE 43 7.438 -13.874 -18.906 290 HG22 ILE 43 2HG2 ILE 43 5.853 -14.642 -18.833 291 HG23 ILE 43 3HG2 ILE 43 7.249 -15.554 -19.409 292 HD11 ILE 43 3HD1 ILE 43 7.870 -16.926 -21.765 293 HD12 ILE 43 1HD1 ILE 43 8.052 -15.799 -23.109 294 HD13 ILE 43 2HD1 ILE 43 8.584 -15.336 -21.492 295 H GLY 44 H GLY 44 3.208 -13.463 -22.495 296 HA2 GLY 44 1HA GLY 44 2.160 -15.775 -22.840 297 HA3 GLY 44 2HA GLY 44 1.907 -15.712 -21.103 298 H SER 45 H SER 45 0.739 -13.646 -20.362 299 HA SER 45 HA SER 45 -1.071 -12.447 -22.239 300 HB2 SER 45 1HB SER 45 -2.172 -14.626 -21.926 301 HB3 SER 45 2HB SER 45 -2.191 -14.368 -20.181 302 HG SER 45 HG SER 45 -4.176 -13.810 -21.294 303 H ASN 46 H ASN 46 -2.498 -10.865 -21.214 304 HA ASN 46 HA ASN 46 -1.306 -9.093 -19.573 305 HB2 ASN 46 1HB ASN 46 -3.687 -9.103 -20.729 306 HB3 ASN 46 2HB ASN 46 -4.225 -9.530 -19.107 307 HD21 ASN 46 1HD2 ASN 46 -4.340 -7.992 -17.579 308 HD22 ASN 46 2HD2 ASN 46 -3.900 -6.339 -17.820 309 H ALA 47 H ALA 47 -1.579 -8.505 -17.316 310 HA ALA 47 HA ALA 47 -2.358 -10.647 -15.498 311 HB1 ALA 47 3HB ALA 47 0.323 -9.390 -15.074 312 HB2 ALA 47 1HB ALA 47 -0.317 -10.906 -14.437 313 HB3 ALA 47 2HB ALA 47 0.148 -10.788 -16.135 314 H GLU 48 H GLU 48 -3.780 -9.656 -14.225 315 HA GLU 48 HA GLU 48 -3.373 -6.851 -13.505 316 HB2 GLU 48 1HB GLU 48 -5.745 -8.689 -13.147 317 HB3 GLU 48 2HB GLU 48 -5.697 -7.019 -12.599 318 HG2 GLU 48 1HG GLU 48 -5.228 -6.377 -14.993 319 HG3 GLU 48 2HG GLU 48 -5.624 -8.041 -15.420 320 H ILE 49 H ILE 49 -1.842 -6.861 -11.910 321 HA ILE 49 HA ILE 49 -1.793 -8.710 -9.759 322 HB ILE 49 HB ILE 49 -0.476 -6.027 -10.137 323 HG12 ILE 49 1HG1 ILE 49 0.521 -8.881 -10.199 324 HG13 ILE 49 2HG1 ILE 49 0.401 -7.773 -11.561 325 HG21 ILE 49 1HG2 ILE 49 -0.834 -7.546 -7.703 326 HG22 ILE 49 2HG2 ILE 49 0.872 -7.351 -8.104 327 HG23 ILE 49 3HG2 ILE 49 -0.162 -5.932 -7.936 328 HD11 ILE 49 3HD1 ILE 49 2.002 -6.344 -9.958 329 HD12 ILE 49 1HD1 ILE 49 2.444 -7.975 -9.453 330 HD13 ILE 49 2HD1 ILE 49 2.593 -7.505 -11.146 331 H ARG 50 H ARG 50 -3.471 -8.843 -8.400 332 HA ARG 50 HA ARG 50 -4.870 -6.438 -7.546 333 HB2 ARG 50 1HB ARG 50 -5.393 -9.367 -7.411 334 HB3 ARG 50 2HB ARG 50 -6.135 -8.347 -6.186 335 HG2 ARG 50 1HG ARG 50 -7.563 -8.808 -8.177 336 HG3 ARG 50 2HG ARG 50 -7.314 -7.096 -7.828 337 HD2 ARG 50 1HD ARG 50 -5.342 -7.309 -9.503 338 HD3 ARG 50 2HD ARG 50 -6.180 -8.765 -10.036 339 HE ARG 50 HE ARG 50 -6.968 -6.041 -10.504 340 HH11 ARG 50 1HH1 ARG 50 -8.061 -9.337 -10.262 341 HH12 ARG 50 2HH1 ARG 50 -9.465 -9.081 -11.245 342 HH21 ARG 50 1HH2 ARG 50 -8.813 -5.691 -11.799 343 HH22 ARG 50 2HH2 ARG 50 -9.891 -7.007 -12.119 344 H TYR 51 H TYR 51 -4.253 -5.351 -5.810 345 HA TYR 51 HA TYR 51 -2.457 -6.574 -3.882 346 HB2 TYR 51 1HB TYR 51 -3.520 -3.747 -3.884 347 HB3 TYR 51 2HB TYR 51 -2.102 -4.357 -3.037 348 HD1 TYR 51 1HD TYR 51 -3.475 -3.490 -6.350 349 HD2 TYR 51 2HD TYR 51 0.001 -4.571 -4.147 350 HE1 TYR 51 1HE TYR 51 -2.072 -2.878 -8.275 351 HE2 TYR 51 2HE TYR 51 1.414 -3.960 -6.066 352 HH TYR 51 HH TYR 51 0.400 -3.666 -9.076 353 H ILE 52 H ILE 52 -2.835 -6.550 -1.612 354 HA ILE 52 HA ILE 52 -5.575 -6.100 -0.717 355 HB ILE 52 HB ILE 52 -5.592 -8.305 0.470 356 HG12 ILE 52 1HG1 ILE 52 -3.006 -8.515 0.013 357 HG13 ILE 52 2HG1 ILE 52 -4.020 -9.952 0.085 358 HG21 ILE 52 1HG2 ILE 52 -5.542 -8.296 -2.542 359 HG22 ILE 52 2HG2 ILE 52 -6.179 -9.618 -1.565 360 HG23 ILE 52 3HG2 ILE 52 -6.934 -8.026 -1.493 361 HD11 ILE 52 3HD1 ILE 52 -4.086 -10.095 -2.301 362 HD12 ILE 52 1HD1 ILE 52 -3.251 -8.550 -2.461 363 HD13 ILE 52 2HD1 ILE 52 -2.405 -9.944 -1.789 364 H PHE 53 H PHE 53 -5.676 -6.639 1.751 365 HA PHE 53 HA PHE 53 -3.574 -5.086 2.984 366 HB2 PHE 53 1HB PHE 53 -6.242 -6.125 3.848 367 HB3 PHE 53 2HB PHE 53 -5.076 -5.648 5.078 368 HD1 PHE 53 2HD PHE 53 -3.926 -3.284 4.557 369 HD2 PHE 53 1HD PHE 53 -7.748 -4.545 3.171 370 HE1 PHE 53 2HE PHE 53 -4.598 -0.934 4.282 371 HE2 PHE 53 1HE PHE 53 -8.426 -2.196 2.893 372 HZ PHE 53 HZ PHE 53 -6.851 -0.387 3.450 373 H GLY 54 H GLY 54 -2.195 -5.768 4.628 374 HA2 GLY 54 1HA GLY 54 -1.076 -8.300 4.407 375 HA3 GLY 54 2HA GLY 54 -0.856 -7.230 5.785 376 H ALA 55 H ALA 55 -0.742 -9.409 6.852 377 HA ALA 55 HA ALA 55 -3.351 -10.648 7.290 378 HB1 ALA 55 3HB ALA 55 -1.757 -12.163 8.777 379 HB2 ALA 55 1HB ALA 55 -1.897 -12.376 7.032 380 HB3 ALA 55 2HB ALA 55 -0.535 -11.479 7.705 381 H GLN 56 H GLN 56 -4.463 -10.549 9.171 382 HA GLN 56 HA GLN 56 -5.157 -9.752 11.186 383 HB2 GLN 56 1HB GLN 56 -2.227 -9.852 11.917 384 HB3 GLN 56 2HB GLN 56 -3.591 -9.872 13.026 385 HG2 GLN 56 1HG GLN 56 -4.267 -12.040 12.231 386 HG3 GLN 56 2HG GLN 56 -3.011 -12.014 10.994 387 HE21 GLN 56 1HE2 GLN 56 -3.546 -13.854 13.263 388 HE22 GLN 56 2HE2 GLN 56 -2.065 -13.916 14.150 389 H VAL 57 H VAL 57 -5.063 -7.783 9.395 390 HA VAL 57 HA VAL 57 -3.573 -5.549 10.559 391 HB VAL 57 HB VAL 57 -5.188 -5.692 8.009 392 HG11 VAL 57 1HG1 VAL 57 -4.661 -3.441 9.441 393 HG12 VAL 57 2HG1 VAL 57 -3.258 -3.514 8.374 394 HG13 VAL 57 3HG1 VAL 57 -4.885 -3.490 7.692 395 HG21 VAL 57 3HG2 VAL 57 -2.524 -6.519 8.645 396 HG22 VAL 57 1HG2 VAL 57 -3.382 -6.616 7.107 397 HG23 VAL 57 2HG2 VAL 57 -2.465 -5.166 7.515 398 H ALA 58 H ALA 58 -4.506 -4.050 11.792 399 HA ALA 58 HA ALA 58 -7.028 -4.276 12.882 400 HB1 ALA 58 3HB ALA 58 -6.619 -1.616 13.121 401 HB2 ALA 58 1HB ALA 58 -5.855 -2.831 14.146 402 HB3 ALA 58 2HB ALA 58 -4.982 -2.166 12.765 403 HA PRO 59 HA PRO 59 -9.862 -2.910 9.805 404 HB2 PRO 59 1HB PRO 59 -11.891 -2.080 11.405 405 HB3 PRO 59 2HB PRO 59 -11.510 -3.786 11.144 406 HG2 PRO 59 1HG PRO 59 -10.772 -2.011 13.438 407 HG3 PRO 59 2HG PRO 59 -11.352 -3.686 13.462 408 HD2 PRO 59 1HD PRO 59 -8.736 -3.046 13.743 409 HD3 PRO 59 2HD PRO 59 -9.273 -4.546 12.959 410 H ALA 60 H ALA 60 -9.612 -0.706 12.602 411 HA ALA 60 HA ALA 60 -10.536 1.609 11.422 412 HB1 ALA 60 3HB ALA 60 -10.036 2.470 13.407 413 HB2 ALA 60 1HB ALA 60 -9.297 0.926 13.832 414 HB3 ALA 60 2HB ALA 60 -8.311 2.216 13.143 415 H THR 61 H THR 61 -7.067 0.906 11.884 416 HA THR 61 HA THR 61 -5.920 2.847 10.415 417 HB THR 61 HB THR 61 -5.118 -0.068 10.392 418 HG1 THR 61 1HG THR 61 -3.749 0.586 12.073 419 HG21 THR 61 3HG2 THR 61 -3.953 2.297 9.095 420 HG22 THR 61 1HG2 THR 61 -3.719 0.584 8.748 421 HG23 THR 61 2HG2 THR 61 -2.818 1.350 10.057 422 H LYS 62 H LYS 62 -7.679 0.103 9.144 423 HA LYS 62 HA LYS 62 -6.908 0.597 6.411 424 HB2 LYS 62 1HB LYS 62 -9.019 -1.204 7.612 425 HB3 LYS 62 2HB LYS 62 -8.625 -1.144 5.898 426 HG2 LYS 62 1HG LYS 62 -6.666 -2.260 6.164 427 HG3 LYS 62 2HG LYS 62 -6.399 -1.630 7.791 428 HD2 LYS 62 1HD LYS 62 -6.873 -3.881 8.156 429 HD3 LYS 62 2HD LYS 62 -8.422 -3.087 8.450 430 HE2 LYS 62 1HE LYS 62 -8.706 -3.561 5.848 431 HE3 LYS 62 2HE LYS 62 -7.578 -4.862 6.225 432 HZ1 LYS 62 3HZ LYS 62 -9.201 -5.370 8.124 433 HZ2 LYS 62 1HZ LYS 62 -9.641 -5.820 6.554 434 HZ3 LYS 62 2HZ LYS 62 -10.307 -4.432 7.253 435 H ARG 63 H ARG 63 -9.695 1.254 8.468 436 HA ARG 63 HA ARG 63 -11.483 2.146 6.521 437 HB2 ARG 63 1HB ARG 63 -11.161 3.021 9.396 438 HB3 ARG 63 2HB ARG 63 -12.534 3.443 8.381 439 HG2 ARG 63 1HG ARG 63 -11.736 0.607 8.976 440 HG3 ARG 63 2HG ARG 63 -12.890 1.520 9.950 441 HD2 ARG 63 1HD ARG 63 -13.150 0.967 6.996 442 HD3 ARG 63 2HD ARG 63 -13.987 0.086 8.273 443 HE ARG 63 HE ARG 63 -14.498 2.861 8.486 444 HH11 ARG 63 1HH1 ARG 63 -15.308 0.061 6.583 445 HH12 ARG 63 2HH1 ARG 63 -16.862 0.667 6.115 446 HH21 ARG 63 1HH2 ARG 63 -16.541 3.670 7.877 447 HH22 ARG 63 2HH2 ARG 63 -17.562 2.721 6.851 448 H LEU 64 H LEU 64 -9.001 3.917 8.327 449 HA LEU 64 HA LEU 64 -9.616 6.455 7.211 450 HB2 LEU 64 1HB LEU 64 -6.966 5.577 8.332 451 HB3 LEU 64 2HB LEU 64 -7.596 7.219 8.223 452 HG LEU 64 HG LEU 64 -8.802 5.078 9.969 453 HD11 LEU 64 1HD1 LEU 64 -7.047 7.324 10.909 454 HD12 LEU 64 2HD1 LEU 64 -6.402 5.731 10.517 455 HD13 LEU 64 3HD1 LEU 64 -7.598 5.906 11.800 456 HD21 LEU 64 3HD2 LEU 64 -10.187 7.065 9.206 457 HD22 LEU 64 1HD2 LEU 64 -9.093 8.064 10.163 458 HD23 LEU 64 2HD2 LEU 64 -10.058 6.813 10.948 459 H PHE 65 H PHE 65 -7.031 4.103 6.528 460 HA PHE 65 HA PHE 65 -6.478 5.524 4.019 461 HB2 PHE 65 1HB PHE 65 -4.848 3.468 5.523 462 HB3 PHE 65 2HB PHE 65 -4.381 4.178 3.981 463 HD1 PHE 65 1HD PHE 65 -3.942 6.641 3.860 464 HD2 PHE 65 2HD PHE 65 -4.444 4.579 7.550 465 HE1 PHE 65 1HE PHE 65 -2.863 8.508 5.046 466 HE2 PHE 65 2HE PHE 65 -3.367 6.443 8.742 467 HZ PHE 65 HZ PHE 65 -2.576 8.411 7.490 468 H ALA 66 H ALA 66 -7.275 4.728 2.199 469 HA ALA 66 HA ALA 66 -8.288 1.990 2.151 470 HB1 ALA 66 3HB ALA 66 -9.695 3.926 1.400 471 HB2 ALA 66 1HB ALA 66 -8.603 4.099 0.025 472 HB3 ALA 66 2HB ALA 66 -9.540 2.617 0.227 473 H LEU 67 H LEU 67 -7.657 0.453 0.646 474 HA LEU 67 HA LEU 67 -5.200 1.077 -0.856 475 HB2 LEU 67 1HB LEU 67 -4.549 -0.343 0.906 476 HB3 LEU 67 2HB LEU 67 -5.962 -1.376 0.699 477 HG LEU 67 HG LEU 67 -5.003 -2.133 -1.477 478 HD11 LEU 67 1HD1 LEU 67 -3.400 0.039 -1.309 479 HD12 LEU 67 2HD1 LEU 67 -3.065 -1.370 -2.316 480 HD13 LEU 67 3HD1 LEU 67 -2.312 -1.223 -0.728 481 HD21 LEU 67 3HD2 LEU 67 -4.102 -2.744 1.198 482 HD22 LEU 67 1HD2 LEU 67 -2.842 -3.068 0.006 483 HD23 LEU 67 2HD2 LEU 67 -4.426 -3.827 -0.157 484 H ASN 68 H ASN 68 -5.467 0.959 -2.976 485 HA ASN 68 HA ASN 68 -7.804 -0.188 -4.151 486 HB2 ASN 68 1HB ASN 68 -5.357 1.190 -5.180 487 HB3 ASN 68 2HB ASN 68 -6.362 0.289 -6.310 488 HD21 ASN 68 1HD2 ASN 68 -6.606 2.451 -7.255 489 HD22 ASN 68 2HD2 ASN 68 -7.854 3.477 -6.645 490 H ASN 69 H ASN 69 -8.110 -2.159 -4.984 491 HA ASN 69 HA ASN 69 -5.907 -4.069 -4.827 492 HB2 ASN 69 1HB ASN 69 -8.831 -4.594 -5.399 493 HB3 ASN 69 2HB ASN 69 -7.604 -5.791 -4.994 494 HD21 ASN 69 1HD2 ASN 69 -7.919 -6.531 -3.034 495 HD22 ASN 69 2HD2 ASN 69 -8.368 -5.600 -1.649 496 H THR 70 H THR 70 -6.601 -1.969 -7.031 497 HA THR 70 HA THR 70 -6.357 -3.843 -9.294 498 HB THR 70 HB THR 70 -7.204 -1.778 -10.641 499 HG1 THR 70 1HG THR 70 -7.812 -0.154 -9.443 500 HG21 THR 70 3HG2 THR 70 -9.321 -3.020 -8.931 501 HG22 THR 70 1HG2 THR 70 -8.377 -4.029 -10.027 502 HG23 THR 70 2HG2 THR 70 -9.333 -2.690 -10.663 503 H THR 71 H THR 71 -5.137 -0.986 -7.720 504 HA THR 71 HA THR 71 -2.883 -0.962 -9.615 505 HB THR 71 HB THR 71 -2.709 1.447 -9.435 506 HG1 THR 71 1HG THR 71 -4.504 2.547 -8.310 507 HG21 THR 71 3HG2 THR 71 -4.809 0.088 -10.707 508 HG22 THR 71 1HG2 THR 71 -4.162 1.677 -11.111 509 HG23 THR 71 2HG2 THR 71 -5.528 1.536 -10.005 510 H GLY 72 H GLY 72 -4.023 -0.646 -6.333 511 HA2 GLY 72 1HA GLY 72 -2.789 -1.252 -4.428 512 HA3 GLY 72 2HA GLY 72 -1.313 -1.142 -5.376 513 H LEU 73 H LEU 73 -3.396 1.515 -5.764 514 HA LEU 73 HA LEU 73 -1.512 3.245 -4.426 515 HB2 LEU 73 1HB LEU 73 -2.520 3.848 -6.586 516 HB3 LEU 73 2HB LEU 73 -4.106 3.894 -5.820 517 HG LEU 73 HG LEU 73 -3.050 5.714 -4.305 518 HD11 LEU 73 1HD1 LEU 73 -1.180 5.776 -6.668 519 HD12 LEU 73 2HD1 LEU 73 -0.748 5.397 -5.001 520 HD13 LEU 73 3HD1 LEU 73 -1.301 7.018 -5.421 521 HD21 LEU 73 3HD2 LEU 73 -3.641 6.250 -7.214 522 HD22 LEU 73 1HD2 LEU 73 -3.677 7.439 -5.912 523 HD23 LEU 73 2HD2 LEU 73 -4.836 6.109 -5.923 524 H ILE 74 H ILE 74 -1.914 4.561 -2.658 525 HA ILE 74 HA ILE 74 -4.267 3.807 -1.053 526 HB ILE 74 HB ILE 74 -1.486 4.586 -0.206 527 HG12 ILE 74 1HG1 ILE 74 -3.223 2.224 0.537 528 HG13 ILE 74 2HG1 ILE 74 -1.996 2.197 -0.725 529 HG21 ILE 74 1HG2 ILE 74 -4.046 4.730 1.321 530 HG22 ILE 74 2HG2 ILE 74 -2.555 4.294 2.154 531 HG23 ILE 74 3HG2 ILE 74 -2.677 5.841 1.316 532 HD11 ILE 74 3HD1 ILE 74 -0.986 1.230 1.146 533 HD12 ILE 74 1HD1 ILE 74 -0.350 2.874 1.085 534 HD13 ILE 74 2HD1 ILE 74 -1.623 2.462 2.235 535 H THR 75 H THR 75 -5.626 5.355 -0.375 536 HA THR 75 HA THR 75 -4.800 8.165 -0.640 537 HB THR 75 HB THR 75 -7.199 8.640 -1.374 538 HG1 THR 75 1HG THR 75 -8.369 6.857 -1.260 539 HG21 THR 75 3HG2 THR 75 -6.682 7.862 -3.769 540 HG22 THR 75 1HG2 THR 75 -5.172 7.248 -3.098 541 HG23 THR 75 2HG2 THR 75 -5.545 8.968 -3.000 542 H VAL 76 H VAL 76 -6.473 9.637 0.455 543 HA VAL 76 HA VAL 76 -6.870 8.624 3.143 544 HB VAL 76 HB VAL 76 -7.368 11.379 2.005 545 HG11 VAL 76 1HG1 VAL 76 -8.255 11.987 3.954 546 HG12 VAL 76 2HG1 VAL 76 -8.351 10.272 4.359 547 HG13 VAL 76 3HG1 VAL 76 -6.951 11.221 4.861 548 HG21 VAL 76 3HG2 VAL 76 -5.283 12.023 2.912 549 HG22 VAL 76 1HG2 VAL 76 -5.120 10.511 3.806 550 HG23 VAL 76 2HG2 VAL 76 -4.984 10.515 2.047 551 H GLN 77 H GLN 77 -8.629 7.341 3.300 552 HA GLN 77 HA GLN 77 -11.050 7.804 1.869 553 HB2 GLN 77 1HB GLN 77 -10.189 5.572 2.735 554 HB3 GLN 77 2HB GLN 77 -10.736 6.084 4.326 555 HG2 GLN 77 1HG GLN 77 -12.996 6.499 3.043 556 HG3 GLN 77 2HG GLN 77 -12.313 5.313 1.932 557 HE21 GLN 77 1HE2 GLN 77 -11.337 3.363 3.128 558 HE22 GLN 77 2HE2 GLN 77 -12.329 2.681 4.367 559 H ARG 78 H ARG 78 -10.024 8.337 5.219 560 HA ARG 78 HA ARG 78 -12.068 10.386 5.495 561 HB2 ARG 78 1HB ARG 78 -11.919 7.963 7.293 562 HB3 ARG 78 2HB ARG 78 -12.799 9.429 7.702 563 HG2 ARG 78 1HG ARG 78 -14.140 9.106 5.616 564 HG3 ARG 78 2HG ARG 78 -13.353 7.537 5.432 565 HD2 ARG 78 1HD ARG 78 -15.217 6.886 6.570 566 HD3 ARG 78 2HD ARG 78 -14.160 7.247 7.934 567 HE ARG 78 HE ARG 78 -15.520 9.008 8.479 568 HH11 ARG 78 1HH1 ARG 78 -16.261 7.942 5.249 569 HH12 ARG 78 2HH1 ARG 78 -17.668 8.943 5.102 570 HH21 ARG 78 1HH2 ARG 78 -17.370 10.331 8.297 571 HH22 ARG 78 2HH2 ARG 78 -18.297 10.302 6.835 572 H SER 79 H SER 79 -11.681 11.839 7.231 573 HA SER 79 HA SER 79 -9.178 12.743 7.623 574 HB2 SER 79 1HB SER 79 -11.423 13.686 8.500 575 HB3 SER 79 2HB SER 79 -11.078 12.756 9.957 576 HG SER 79 HG SER 79 -10.309 15.036 9.830 577 H LEU 80 H LEU 80 -7.529 12.535 9.171 578 HA LEU 80 HA LEU 80 -7.386 9.867 10.370 579 HB2 LEU 80 1HB LEU 80 -5.145 11.853 10.112 580 HB3 LEU 80 2HB LEU 80 -5.031 10.118 10.395 581 HG LEU 80 HG LEU 80 -6.136 11.235 7.834 582 HD11 LEU 80 1HD1 LEU 80 -3.584 10.390 7.266 583 HD12 LEU 80 2HD1 LEU 80 -3.385 11.267 8.782 584 HD13 LEU 80 3HD1 LEU 80 -4.116 12.067 7.391 585 HD21 LEU 80 3HD2 LEU 80 -5.122 8.972 7.086 586 HD22 LEU 80 1HD2 LEU 80 -6.654 8.982 7.960 587 HD23 LEU 80 2HD2 LEU 80 -5.160 8.579 8.805 588 H ASP 81 H ASP 81 -6.518 9.604 12.515 589 HA ASP 81 HA ASP 81 -7.109 11.906 14.257 590 HB2 ASP 81 1HB ASP 81 -7.281 8.977 14.987 591 HB3 ASP 81 2HB ASP 81 -7.782 10.344 15.978 592 H ARG 82 H ARG 82 -5.340 12.790 15.077 593 HA ARG 82 HA ARG 82 -2.886 11.250 15.290 594 HB2 ARG 82 1HB ARG 82 -3.160 13.711 14.455 595 HB3 ARG 82 2HB ARG 82 -3.162 14.102 16.169 596 HG2 ARG 82 1HG ARG 82 -0.983 12.390 15.080 597 HG3 ARG 82 2HG ARG 82 -0.944 14.131 14.792 598 HD2 ARG 82 1HD ARG 82 -1.420 13.092 17.552 599 HD3 ARG 82 2HD ARG 82 0.218 13.119 16.899 600 HE ARG 82 HE ARG 82 -1.226 15.329 17.891 601 HH11 ARG 82 1HH1 ARG 82 0.929 14.429 15.309 602 HH12 ARG 82 2HH1 ARG 82 1.579 16.024 15.120 603 HH21 ARG 82 1HH2 ARG 82 -0.378 17.433 17.652 604 HH22 ARG 82 2HH2 ARG 82 0.835 17.732 16.454 605 H GLU 83 H GLU 83 -5.263 12.786 17.375 606 HA GLU 83 HA GLU 83 -3.958 12.742 19.807 607 HB2 GLU 83 1HB GLU 83 -6.841 12.407 19.046 608 HB3 GLU 83 2HB GLU 83 -6.348 12.273 20.728 609 HG2 GLU 83 1HG GLU 83 -5.255 14.544 20.432 610 HG3 GLU 83 2HG GLU 83 -6.147 14.654 18.916 611 H GLU 84 H GLU 84 -5.795 10.129 18.258 612 HA GLU 84 HA GLU 84 -5.248 8.274 20.387 613 HB2 GLU 84 1HB GLU 84 -6.663 8.166 17.764 614 HB3 GLU 84 2HB GLU 84 -6.129 6.652 18.479 615 HG2 GLU 84 1HG GLU 84 -8.476 7.293 19.008 616 HG3 GLU 84 2HG GLU 84 -7.455 6.997 20.415 617 H THR 85 H THR 85 -4.523 7.983 16.911 618 HA THR 85 HA THR 85 -1.979 6.693 17.649 619 HB THR 85 HB THR 85 -3.395 5.141 16.474 620 HG1 THR 85 1HG THR 85 -2.038 5.061 14.404 621 HG21 THR 85 3HG2 THR 85 -4.359 5.558 14.325 622 HG22 THR 85 1HG2 THR 85 -3.522 7.103 14.186 623 HG23 THR 85 2HG2 THR 85 -4.809 6.901 15.375 624 H ALA 86 H ALA 86 -0.089 7.381 16.746 625 HA ALA 86 HA ALA 86 -0.225 9.891 15.230 626 HB1 ALA 86 3HB ALA 86 2.297 9.907 15.879 627 HB2 ALA 86 1HB ALA 86 1.076 10.315 17.085 628 HB3 ALA 86 2HB ALA 86 1.804 8.708 17.075 629 H ILE 87 H ILE 87 1.199 6.666 15.196 630 HA ILE 87 HA ILE 87 2.063 7.145 12.418 631 HB ILE 87 HB ILE 87 3.201 5.166 14.397 632 HG12 ILE 87 1HG1 ILE 87 4.673 7.485 13.179 633 HG13 ILE 87 2HG1 ILE 87 3.691 7.712 14.621 634 HG21 ILE 87 1HG2 ILE 87 3.141 4.592 11.885 635 HG22 ILE 87 2HG2 ILE 87 4.375 5.841 11.726 636 HG23 ILE 87 3HG2 ILE 87 4.670 4.435 12.749 637 HD11 ILE 87 3HD1 ILE 87 6.273 7.139 14.726 638 HD12 ILE 87 1HD1 ILE 87 5.131 6.574 15.945 639 HD13 ILE 87 2HD1 ILE 87 5.645 5.493 14.650 640 H HIS 88 H HIS 88 1.435 5.744 10.845 641 HA HIS 88 HA HIS 88 -0.325 3.527 11.669 642 HB2 HIS 88 1HB HIS 88 -0.600 5.541 9.464 643 HB3 HIS 88 2HB HIS 88 -1.335 3.950 9.292 644 HD1 HIS 88 1HD HIS 88 -2.993 3.308 11.402 645 HD2 HIS 88 2HD HIS 88 -2.181 7.328 10.740 646 HE1 HIS 88 1HE HIS 88 -4.807 4.567 12.604 647 HE2 HIS 88 2HE HIS 88 -4.344 6.995 12.118 648 H LYS 89 H LYS 89 0.701 1.668 11.349 649 HA LYS 89 HA LYS 89 2.506 1.410 9.046 650 HB2 LYS 89 1HB LYS 89 2.307 -0.015 11.681 651 HB3 LYS 89 2HB LYS 89 3.138 -0.766 10.324 652 HG2 LYS 89 1HG LYS 89 4.563 1.291 10.181 653 HG3 LYS 89 2HG LYS 89 3.830 1.817 11.698 654 HD2 LYS 89 1HD LYS 89 4.554 -0.586 12.495 655 HD3 LYS 89 2HD LYS 89 5.713 -0.434 11.171 656 HE2 LYS 89 1HE LYS 89 6.821 0.367 13.093 657 HE3 LYS 89 2HE LYS 89 6.357 1.799 12.175 658 HZ1 LYS 89 3HZ LYS 89 5.333 2.527 13.981 659 HZ2 LYS 89 1HZ LYS 89 5.660 1.092 14.816 660 HZ3 LYS 89 2HZ LYS 89 4.253 1.228 13.888 661 H VAL 90 H VAL 90 1.560 0.590 7.300 662 HA VAL 90 HA VAL 90 -0.306 -1.665 7.655 663 HB VAL 90 HB VAL 90 -0.435 0.468 5.518 664 HG11 VAL 90 1HG1 VAL 90 -1.184 -2.079 5.173 665 HG12 VAL 90 2HG1 VAL 90 -2.647 -1.450 5.934 666 HG13 VAL 90 3HG1 VAL 90 -2.040 -0.719 4.447 667 HG21 VAL 90 3HG2 VAL 90 -2.781 0.680 6.738 668 HG22 VAL 90 1HG2 VAL 90 -1.843 0.073 8.103 669 HG23 VAL 90 2HG2 VAL 90 -1.360 1.564 7.293 670 H THR 91 H THR 91 0.116 -3.469 6.528 671 HA THR 91 HA THR 91 2.452 -3.441 4.757 672 HB THR 91 HB THR 91 1.044 -5.866 5.878 673 HG1 THR 91 1HG THR 91 1.981 -5.392 7.706 674 HG21 THR 91 3HG2 THR 91 2.450 -6.316 3.942 675 HG22 THR 91 1HG2 THR 91 3.194 -6.971 5.401 676 HG23 THR 91 2HG2 THR 91 3.797 -5.468 4.701 677 H VAL 92 H VAL 92 2.392 -4.197 2.669 678 HA VAL 92 HA VAL 92 -0.291 -4.739 1.571 679 HB VAL 92 HB VAL 92 2.043 -3.412 0.183 680 HG11 VAL 92 1HG1 VAL 92 0.325 -2.983 -1.601 681 HG12 VAL 92 2HG1 VAL 92 0.828 -4.666 -1.431 682 HG13 VAL 92 3HG1 VAL 92 -0.719 -4.135 -0.771 683 HG21 VAL 92 3HG2 VAL 92 -0.596 -2.119 0.740 684 HG22 VAL 92 1HG2 VAL 92 0.660 -2.147 1.978 685 HG23 VAL 92 2HG2 VAL 92 0.971 -1.373 0.424 686 H LEU 93 H LEU 93 -0.461 -6.263 -0.123 687 HA LEU 93 HA LEU 93 1.877 -8.006 -0.500 688 HB2 LEU 93 1HB LEU 93 -0.953 -8.876 0.063 689 HB3 LEU 93 2HB LEU 93 0.345 -9.957 -0.439 690 HG LEU 93 HG LEU 93 0.414 -8.337 2.102 691 HD11 LEU 93 1HD1 LEU 93 -0.309 -10.260 3.293 692 HD12 LEU 93 2HD1 LEU 93 -0.280 -11.253 1.836 693 HD13 LEU 93 3HD1 LEU 93 -1.484 -9.976 2.008 694 HD21 LEU 93 3HD2 LEU 93 1.929 -10.808 1.964 695 HD22 LEU 93 1HD2 LEU 93 2.447 -9.188 2.429 696 HD23 LEU 93 2HD2 LEU 93 2.420 -9.651 0.727 697 H ALA 94 H ALA 94 2.362 -8.193 -2.575 698 HA ALA 94 HA ALA 94 0.308 -7.604 -4.580 699 HB1 ALA 94 3HB ALA 94 2.446 -7.681 -6.093 700 HB2 ALA 94 1HB ALA 94 2.107 -6.273 -5.086 701 HB3 ALA 94 2HB ALA 94 3.286 -7.474 -4.557 702 H SER 95 H SER 95 -0.770 -9.330 -5.277 703 HA SER 95 HA SER 95 0.767 -11.712 -6.046 704 HB2 SER 95 1HB SER 95 -0.613 -11.842 -3.800 705 HB3 SER 95 2HB SER 95 -1.975 -12.065 -4.899 706 HG SER 95 HG SER 95 0.389 -13.636 -4.800 707 H ASP 96 H ASP 96 0.121 -12.705 -7.908 708 HA ASP 96 HA ASP 96 -2.232 -11.583 -9.278 709 HB2 ASP 96 1HB ASP 96 -0.522 -10.570 -10.483 710 HB3 ASP 96 2HB ASP 96 0.566 -11.942 -10.287 711 H GLY 97 H GLY 97 -0.149 -14.331 -8.692 712 HA2 GLY 97 1HA GLY 97 -2.046 -16.286 -8.776 713 HA3 GLY 97 2HA GLY 97 -1.576 -16.098 -10.459 714 H SER 98 H SER 98 0.561 -15.724 -7.687 715 HA SER 98 HA SER 98 1.893 -18.242 -8.417 716 HB2 SER 98 1HB SER 98 4.089 -17.101 -8.020 717 HB3 SER 98 2HB SER 98 3.217 -16.491 -9.426 718 HG SER 98 HG SER 98 2.660 -14.681 -8.295 719 H SER 99 H SER 99 3.782 -18.527 -6.632 720 HA SER 99 HA SER 99 2.526 -19.282 -4.286 721 HB2 SER 99 1HB SER 99 4.809 -20.010 -5.115 722 HB3 SER 99 2HB SER 99 5.441 -18.500 -4.458 723 HG SER 99 HG SER 99 5.607 -20.276 -2.990 724 H THR 100 H THR 100 3.659 -18.408 -2.072 725 HA THR 100 HA THR 100 2.322 -16.295 -1.152 726 HB THR 100 HB THR 100 5.173 -17.032 -0.505 727 HG1 THR 100 1HG THR 100 3.670 -18.550 0.169 728 HG21 THR 100 3HG2 THR 100 5.364 -15.022 0.475 729 HG22 THR 100 1HG2 THR 100 4.236 -15.650 1.676 730 HG23 THR 100 2HG2 THR 100 3.639 -14.687 0.324 731 HA PRO 101 HA PRO 101 3.562 -12.808 -3.600 732 HB2 PRO 101 1HB PRO 101 2.210 -10.931 -2.178 733 HB3 PRO 101 2HB PRO 101 1.417 -12.041 -3.302 734 HG2 PRO 101 1HG PRO 101 1.635 -12.198 -0.320 735 HG3 PRO 101 2HG PRO 101 0.233 -12.517 -1.358 736 HD2 PRO 101 1HD PRO 101 1.763 -14.499 -0.329 737 HD3 PRO 101 2HD PRO 101 0.961 -14.634 -1.906 738 H ALA 102 H ALA 102 4.194 -10.396 -2.905 739 HA ALA 102 HA ALA 102 6.468 -10.714 -1.097 740 HB1 ALA 102 3HB ALA 102 6.571 -9.728 -3.492 741 HB2 ALA 102 1HB ALA 102 5.960 -8.260 -2.730 742 HB3 ALA 102 2HB ALA 102 7.492 -8.956 -2.201 743 H ARG 103 H ARG 103 6.943 -9.162 0.535 744 HA ARG 103 HA ARG 103 4.524 -7.948 1.672 745 HB2 ARG 103 1HB ARG 103 7.150 -8.743 2.934 746 HB3 ARG 103 2HB ARG 103 5.885 -7.867 3.786 747 HG2 ARG 103 1HG ARG 103 4.347 -9.788 3.220 748 HG3 ARG 103 2HG ARG 103 5.787 -10.663 2.696 749 HD2 ARG 103 1HD ARG 103 6.715 -10.634 4.865 750 HD3 ARG 103 2HD ARG 103 5.566 -9.418 5.422 751 HE ARG 103 HE ARG 103 4.140 -11.690 4.619 752 HH11 ARG 103 1HH1 ARG 103 6.357 -10.681 7.106 753 HH12 ARG 103 2HH1 ARG 103 5.742 -11.791 8.286 754 HH21 ARG 103 1HH2 ARG 103 3.322 -13.155 6.163 755 HH22 ARG 103 2HH2 ARG 103 4.016 -13.198 7.749 756 H ALA 104 H ALA 104 4.408 -5.803 2.170 757 HA ALA 104 HA ALA 104 6.773 -4.135 1.685 758 HB1 ALA 104 3HB ALA 104 5.938 -3.283 -0.184 759 HB2 ALA 104 1HB ALA 104 4.497 -4.287 -0.026 760 HB3 ALA 104 2HB ALA 104 4.546 -2.690 0.722 761 H THR 105 H THR 105 7.127 -2.946 3.429 762 HA THR 105 HA THR 105 4.934 -2.392 5.275 763 HB THR 105 HB THR 105 7.903 -1.919 5.607 764 HG1 THR 105 1HG THR 105 7.635 -3.755 7.070 765 HG21 THR 105 3HG2 THR 105 7.138 -0.514 7.208 766 HG22 THR 105 1HG2 THR 105 6.898 -2.010 8.109 767 HG23 THR 105 2HG2 THR 105 5.544 -1.267 7.258 768 H VAL 106 H VAL 106 3.802 -0.613 4.813 769 HA VAL 106 HA VAL 106 5.221 1.763 3.827 770 HB VAL 106 HB VAL 106 2.260 1.156 3.818 771 HG11 VAL 106 1HG1 VAL 106 1.843 3.223 3.003 772 HG12 VAL 106 2HG1 VAL 106 3.319 3.623 3.885 773 HG13 VAL 106 3HG1 VAL 106 3.383 3.316 2.149 774 HG21 VAL 106 3HG2 VAL 106 2.538 0.160 1.847 775 HG22 VAL 106 1HG2 VAL 106 3.497 1.509 1.238 776 HG23 VAL 106 2HG2 VAL 106 4.277 0.207 2.136 777 H THR 107 H THR 107 5.838 3.082 5.410 778 HA THR 107 HA THR 107 4.272 3.283 7.858 779 HB THR 107 HB THR 107 6.830 4.756 7.233 780 HG1 THR 107 1HG THR 107 6.727 2.244 7.173 781 HG21 THR 107 3HG2 THR 107 6.998 5.149 9.511 782 HG22 THR 107 1HG2 THR 107 5.928 3.811 9.926 783 HG23 THR 107 2HG2 THR 107 5.262 5.294 9.242 784 H ILE 108 H ILE 108 3.051 4.991 8.427 785 HA ILE 108 HA ILE 108 3.149 7.393 6.728 786 HB ILE 108 HB ILE 108 0.602 6.211 7.832 787 HG12 ILE 108 1HG1 ILE 108 1.389 6.194 4.929 788 HG13 ILE 108 2HG1 ILE 108 1.846 4.872 5.997 789 HG21 ILE 108 1HG2 ILE 108 0.534 8.615 7.498 790 HG22 ILE 108 2HG2 ILE 108 1.112 8.420 5.844 791 HG23 ILE 108 3HG2 ILE 108 -0.475 7.801 6.302 792 HD11 ILE 108 3HD1 ILE 108 -0.929 5.422 6.335 793 HD12 ILE 108 1HD1 ILE 108 -0.573 5.239 4.618 794 HD13 ILE 108 2HD1 ILE 108 -0.146 3.955 5.750 795 H ASN 109 H ASN 109 4.082 8.816 8.088 796 HA ASN 109 HA ASN 109 3.355 8.901 10.890 797 HB2 ASN 109 1HB ASN 109 5.289 10.510 9.217 798 HB3 ASN 109 2HB ASN 109 4.996 10.835 10.924 799 HD21 ASN 109 1HD2 ASN 109 6.621 8.896 8.647 800 HD22 ASN 109 2HD2 ASN 109 7.423 7.849 9.763 801 H VAL 110 H VAL 110 2.473 10.737 11.943 802 HA VAL 110 HA VAL 110 0.812 12.408 10.175 803 HB VAL 110 HB VAL 110 0.298 11.755 13.078 804 HG11 VAL 110 1HG1 VAL 110 -1.527 13.072 12.980 805 HG12 VAL 110 2HG1 VAL 110 -0.648 13.858 11.667 806 HG13 VAL 110 3HG1 VAL 110 -1.876 12.644 11.306 807 HG21 VAL 110 3HG2 VAL 110 -1.511 10.667 11.041 808 HG22 VAL 110 1HG2 VAL 110 0.110 9.972 11.032 809 HG23 VAL 110 2HG2 VAL 110 -0.864 9.919 12.501 810 H THR 111 H THR 111 1.074 14.550 10.202 811 HA THR 111 HA THR 111 2.793 15.702 12.302 812 HB THR 111 HB THR 111 3.655 17.270 10.764 813 HG1 THR 111 1HG THR 111 2.009 17.979 9.544 814 HG21 THR 111 3HG2 THR 111 4.669 15.928 9.061 815 HG22 THR 111 1HG2 THR 111 3.362 14.747 9.136 816 HG23 THR 111 2HG2 THR 111 4.477 14.916 10.492 817 H ASP 112 H ASP 112 2.424 18.165 12.487 818 HA ASP 112 HA ASP 112 -0.414 18.545 13.014 819 HB2 ASP 112 1HB ASP 112 0.250 20.441 14.347 820 HB3 ASP 112 2HB ASP 112 1.307 19.088 14.741 821 H VAL 113 H VAL 113 -1.563 20.428 12.342 822 HA VAL 113 HA VAL 113 -0.579 21.505 9.785 823 HB VAL 113 HB VAL 113 -3.055 22.112 9.464 824 HG11 VAL 113 1HG1 VAL 113 -2.130 20.441 8.090 825 HG12 VAL 113 2HG1 VAL 113 -1.999 19.299 9.428 826 HG13 VAL 113 3HG1 VAL 113 -3.584 19.721 8.780 827 HG21 VAL 113 3HG2 VAL 113 -3.369 20.011 11.606 828 HG22 VAL 113 1HG2 VAL 113 -3.706 21.730 11.811 829 HG23 VAL 113 2HG2 VAL 113 -4.664 20.772 10.682 830 H ASN 114 H ASN 114 -1.362 22.316 12.999 831 HA ASN 114 HA ASN 114 -2.290 24.923 12.812 832 HB2 ASN 114 1HB ASN 114 -2.111 23.606 14.919 833 HB3 ASN 114 2HB ASN 114 -0.368 23.856 14.891 834 HD21 ASN 114 1HD2 ASN 114 -2.107 24.646 16.968 835 HD22 ASN 114 2HD2 ASN 114 -2.057 26.369 17.074 Start of MODEL 20 1 H1 GLY 1 H GLY 1 5.238 -14.379 -28.486 2 HA2 GLY 1 1HA GLY 1 3.023 -16.074 -29.332 3 HA3 GLY 1 2HA GLY 1 3.835 -14.856 -30.305 4 H SER 2 H SER 2 6.462 -15.644 -30.121 5 HA SER 2 HA SER 2 6.467 -18.398 -31.155 6 HB2 SER 2 1HB SER 2 6.486 -16.572 -32.968 7 HB3 SER 2 2HB SER 2 8.122 -16.216 -32.416 8 HG SER 2 HG SER 2 7.380 -18.853 -33.059 9 H SER 3 H SER 3 8.492 -15.683 -30.075 10 HA SER 3 HA SER 3 10.794 -17.242 -29.558 11 HB2 SER 3 1HB SER 3 10.780 -14.756 -29.859 12 HB3 SER 3 2HB SER 3 10.037 -14.612 -28.266 13 HG SER 3 HG SER 3 11.873 -15.463 -27.347 14 H GLY 4 H GLY 4 10.424 -19.011 -28.291 15 HA2 GLY 4 1HA GLY 4 9.097 -18.637 -25.705 16 HA3 GLY 4 2HA GLY 4 9.480 -20.178 -26.457 17 H SER 5 H SER 5 10.052 -19.005 -23.745 18 HA SER 5 HA SER 5 12.891 -19.726 -23.706 19 HB2 SER 5 1HB SER 5 11.706 -17.262 -22.412 20 HB3 SER 5 2HB SER 5 13.318 -17.884 -22.059 21 HG SER 5 HG SER 5 12.651 -17.460 -24.733 22 H SER 6 H SER 6 13.657 -20.171 -21.453 23 HA SER 6 HA SER 6 11.516 -21.522 -19.958 24 HB2 SER 6 1HB SER 6 14.503 -22.026 -19.949 25 HB3 SER 6 2HB SER 6 13.315 -22.926 -19.006 26 HG SER 6 HG SER 6 12.723 -23.979 -20.744 27 H GLY 7 H GLY 7 10.815 -20.424 -18.252 28 HA2 GLY 7 1HA GLY 7 12.619 -18.563 -16.891 29 HA3 GLY 7 2HA GLY 7 10.874 -18.638 -16.702 30 H ASN 8 H ASN 8 13.452 -18.887 -14.927 31 HA ASN 8 HA ASN 8 13.055 -21.440 -13.650 32 HB2 ASN 8 1HB ASN 8 14.656 -19.143 -12.533 33 HB3 ASN 8 2HB ASN 8 14.884 -20.868 -12.261 34 HD21 ASN 8 1HD2 ASN 8 16.990 -19.316 -12.985 35 HD22 ASN 8 2HD2 ASN 8 17.477 -19.693 -14.599 36 H ASP 9 H ASP 9 12.814 -18.074 -12.484 37 HA ASP 9 HA ASP 9 10.574 -18.923 -10.776 38 HB2 ASP 9 1HB ASP 9 12.771 -17.011 -9.958 39 HB3 ASP 9 2HB ASP 9 11.394 -17.498 -8.973 40 H ASN 10 H ASN 10 8.832 -17.619 -10.791 41 HA ASN 10 HA ASN 10 9.094 -14.995 -12.103 42 HB2 ASN 10 1HB ASN 10 7.176 -17.220 -12.627 43 HB3 ASN 10 2HB ASN 10 6.584 -15.567 -12.767 44 HD21 ASN 10 1HD2 ASN 10 7.089 -17.725 -14.760 45 HD22 ASN 10 2HD2 ASN 10 8.094 -16.992 -15.959 46 H ARG 11 H ARG 11 8.894 -13.587 -10.470 47 HA ARG 11 HA ARG 11 6.413 -13.604 -8.949 48 HB2 ARG 11 1HB ARG 11 7.538 -13.323 -6.800 49 HB3 ARG 11 2HB ARG 11 7.980 -14.858 -7.536 50 HG2 ARG 11 1HG ARG 11 10.053 -13.655 -8.402 51 HG3 ARG 11 2HG ARG 11 9.633 -12.372 -7.266 52 HD2 ARG 11 1HD ARG 11 10.008 -13.709 -5.416 53 HD3 ARG 11 2HD ARG 11 9.782 -15.203 -6.324 54 HE ARG 11 HE ARG 11 12.001 -15.151 -6.912 55 HH11 ARG 11 1HH1 ARG 11 11.084 -12.081 -5.551 56 HH12 ARG 11 2HH1 ARG 11 12.709 -11.488 -5.460 57 HH21 ARG 11 1HH2 ARG 11 14.145 -14.382 -6.798 58 HH22 ARG 11 2HH2 ARG 11 14.450 -12.797 -6.171 59 HA PRO 12 HA PRO 12 6.701 -9.282 -9.742 60 HB2 PRO 12 1HB PRO 12 4.940 -8.395 -7.876 61 HB3 PRO 12 2HB PRO 12 4.437 -9.216 -9.357 62 HG2 PRO 12 1HG PRO 12 4.742 -10.318 -6.591 63 HG3 PRO 12 2HG PRO 12 3.449 -10.600 -7.771 64 HD2 PRO 12 1HD PRO 12 5.454 -12.372 -7.355 65 HD3 PRO 12 2HD PRO 12 4.684 -12.156 -8.940 66 H VAL 13 H VAL 13 6.884 -7.169 -8.404 67 HA VAL 13 HA VAL 13 8.199 -7.379 -5.856 68 HB VAL 13 HB VAL 13 10.073 -7.961 -7.307 69 HG11 VAL 13 1HG1 VAL 13 9.893 -7.121 -9.393 70 HG12 VAL 13 2HG1 VAL 13 9.080 -5.652 -8.846 71 HG13 VAL 13 3HG1 VAL 13 10.833 -5.793 -8.714 72 HG21 VAL 13 3HG2 VAL 13 11.640 -6.196 -6.597 73 HG22 VAL 13 1HG2 VAL 13 10.267 -5.177 -6.163 74 HG23 VAL 13 2HG2 VAL 13 10.552 -6.688 -5.300 75 H PHE 14 H PHE 14 8.265 -5.441 -4.764 76 HA PHE 14 HA PHE 14 6.727 -3.283 -5.972 77 HB2 PHE 14 1HB PHE 14 7.464 -4.063 -3.188 78 HB3 PHE 14 2HB PHE 14 7.093 -2.372 -3.507 79 HD1 PHE 14 1HD PHE 14 4.929 -2.408 -5.365 80 HD2 PHE 14 2HD PHE 14 5.692 -5.040 -2.108 81 HE1 PHE 14 1HE PHE 14 2.524 -2.905 -5.207 82 HE2 PHE 14 2HE PHE 14 3.289 -5.542 -1.946 83 HZ PHE 14 HZ PHE 14 1.702 -4.474 -3.496 84 H LYS 15 H LYS 15 7.427 -1.010 -5.492 85 HA LYS 15 HA LYS 15 9.957 -0.521 -6.622 86 HB2 LYS 15 1HB LYS 15 8.027 1.039 -6.742 87 HB3 LYS 15 2HB LYS 15 8.235 1.388 -5.031 88 HG2 LYS 15 1HG LYS 15 9.293 3.163 -6.074 89 HG3 LYS 15 2HG LYS 15 10.626 2.077 -5.677 90 HD2 LYS 15 1HD LYS 15 10.617 1.211 -7.955 91 HD3 LYS 15 2HD LYS 15 9.248 2.249 -8.358 92 HE2 LYS 15 1HE LYS 15 11.190 3.333 -9.178 93 HE3 LYS 15 2HE LYS 15 10.695 4.211 -7.733 94 HZ1 LYS 15 3HZ LYS 15 12.369 2.504 -6.640 95 HZ2 LYS 15 1HZ LYS 15 12.887 3.980 -7.284 96 HZ3 LYS 15 2HZ LYS 15 13.056 2.558 -8.184 97 H GLU 16 H GLU 16 8.801 0.011 -3.289 98 HA GLU 16 HA GLU 16 11.487 -0.556 -2.307 99 HB2 GLU 16 1HB GLU 16 9.999 1.995 -1.664 100 HB3 GLU 16 2HB GLU 16 11.464 1.455 -0.855 101 HG2 GLU 16 1HG GLU 16 12.465 1.423 -3.247 102 HG3 GLU 16 2HG GLU 16 11.107 2.479 -3.634 103 H GLY 17 H GLY 17 11.190 -2.126 -0.874 104 HA2 GLY 17 1HA GLY 17 8.935 -3.083 0.248 105 HA3 GLY 17 2HA GLY 17 10.474 -3.116 1.095 106 H GLN 18 H GLN 18 10.954 -0.606 1.831 107 HA GLN 18 HA GLN 18 8.580 0.161 3.400 108 HB2 GLN 18 1HB GLN 18 11.483 0.362 4.221 109 HB3 GLN 18 2HB GLN 18 10.104 0.869 5.187 110 HG2 GLN 18 1HG GLN 18 10.497 -1.168 6.109 111 HG3 GLN 18 2HG GLN 18 9.364 -1.630 4.840 112 HE21 GLN 18 1HE2 GLN 18 11.200 -3.374 6.053 113 HE22 GLN 18 2HE2 GLN 18 12.329 -3.891 4.852 114 H VAL 19 H VAL 19 7.899 2.201 3.222 115 HA VAL 19 HA VAL 19 9.749 4.242 2.207 116 HB VAL 19 HB VAL 19 6.940 3.864 1.160 117 HG11 VAL 19 1HG1 VAL 19 7.088 5.988 0.528 118 HG12 VAL 19 2HG1 VAL 19 8.733 6.101 1.157 119 HG13 VAL 19 3HG1 VAL 19 8.456 5.551 -0.496 120 HG21 VAL 19 3HG2 VAL 19 9.490 3.515 -0.392 121 HG22 VAL 19 1HG2 VAL 19 8.691 2.172 0.425 122 HG23 VAL 19 2HG2 VAL 19 7.853 3.052 -0.853 123 H GLU 20 H GLU 20 9.714 6.014 3.419 124 HA GLU 20 HA GLU 20 7.557 6.351 5.360 125 HB2 GLU 20 1HB GLU 20 10.103 6.456 5.880 126 HB3 GLU 20 2HB GLU 20 10.007 8.079 5.211 127 HG2 GLU 20 1HG GLU 20 8.215 8.579 6.868 128 HG3 GLU 20 2HG GLU 20 8.526 7.004 7.596 129 H VAL 21 H VAL 21 6.492 8.366 5.658 130 HA VAL 21 HA VAL 21 6.775 10.404 3.610 131 HB VAL 21 HB VAL 21 4.375 10.374 3.022 132 HG11 VAL 21 1HG1 VAL 21 6.014 9.305 1.560 133 HG12 VAL 21 2HG1 VAL 21 5.817 7.789 2.441 134 HG13 VAL 21 3HG1 VAL 21 4.470 8.455 1.516 135 HG21 VAL 21 3HG2 VAL 21 2.867 8.852 3.807 136 HG22 VAL 21 1HG2 VAL 21 4.090 7.606 4.059 137 HG23 VAL 21 2HG2 VAL 21 3.935 8.935 5.207 138 H HIS 22 H HIS 22 5.285 12.268 4.033 139 HA HIS 22 HA HIS 22 4.641 12.494 6.898 140 HB2 HIS 22 1HB HIS 22 5.712 14.521 7.108 141 HB3 HIS 22 2HB HIS 22 6.764 13.737 5.933 142 HD1 HIS 22 1HD HIS 22 6.309 14.440 3.367 143 HD2 HIS 22 2HD HIS 22 4.637 16.885 6.281 144 HE1 HIS 22 1HE HIS 22 5.741 16.591 2.195 145 HE2 HIS 22 2HE HIS 22 4.809 18.085 3.996 146 H ILE 23 H ILE 23 2.580 12.958 7.247 147 HA ILE 23 HA ILE 23 1.158 14.742 5.430 148 HB ILE 23 HB ILE 23 0.752 12.391 4.646 149 HG12 ILE 23 1HG1 ILE 23 -1.589 14.000 5.684 150 HG13 ILE 23 2HG1 ILE 23 -0.834 14.132 4.099 151 HG21 ILE 23 1HG2 ILE 23 0.622 11.707 7.225 152 HG22 ILE 23 2HG2 ILE 23 -1.097 11.933 6.908 153 HG23 ILE 23 3HG2 ILE 23 -0.169 10.781 5.949 154 HD11 ILE 23 3HD1 ILE 23 -1.901 11.482 4.833 155 HD12 ILE 23 1HD1 ILE 23 -3.077 12.764 4.546 156 HD13 ILE 23 2HD1 ILE 23 -1.919 12.330 3.287 157 HA PRO 24 HA PRO 24 -0.345 16.259 9.296 158 HB2 PRO 24 1HB PRO 24 -2.334 17.833 8.326 159 HB3 PRO 24 2HB PRO 24 -0.624 18.267 8.214 160 HG2 PRO 24 1HG PRO 24 -2.409 17.052 6.141 161 HG3 PRO 24 2HG PRO 24 -1.211 18.347 5.966 162 HD2 PRO 24 1HD PRO 24 -0.706 15.788 5.240 163 HD3 PRO 24 2HD PRO 24 0.556 16.870 5.863 164 H GLU 25 H GLU 25 -2.269 16.242 10.618 165 HA GLU 25 HA GLU 25 -3.789 13.851 10.310 166 HB2 GLU 25 1HB GLU 25 -4.917 14.547 12.374 167 HB3 GLU 25 2HB GLU 25 -3.171 14.683 12.519 168 HG2 GLU 25 1HG GLU 25 -3.290 17.072 12.198 169 HG3 GLU 25 2HG GLU 25 -5.029 16.975 11.929 170 H ASN 26 H ASN 26 -4.424 17.269 9.783 171 HA ASN 26 HA ASN 26 -7.210 16.747 9.118 172 HB2 ASN 26 1HB ASN 26 -6.667 18.760 10.414 173 HB3 ASN 26 2HB ASN 26 -5.634 19.331 9.107 174 HD21 ASN 26 1HD2 ASN 26 -7.067 21.215 9.297 175 HD22 ASN 26 2HD2 ASN 26 -8.543 21.216 8.400 176 H ALA 27 H ALA 27 -4.820 15.809 7.503 177 HA ALA 27 HA ALA 27 -4.512 17.166 5.123 178 HB1 ALA 27 3HB ALA 27 -3.145 15.267 5.618 179 HB2 ALA 27 1HB ALA 27 -4.546 14.196 5.626 180 HB3 ALA 27 2HB ALA 27 -4.012 14.939 4.118 181 HA PRO 28 HA PRO 28 -8.435 17.031 3.123 182 HB2 PRO 28 1HB PRO 28 -7.611 17.393 0.561 183 HB3 PRO 28 2HB PRO 28 -7.624 18.693 1.759 184 HG2 PRO 28 1HG PRO 28 -5.340 16.996 0.829 185 HG3 PRO 28 2HG PRO 28 -5.386 18.743 1.130 186 HD2 PRO 28 1HD PRO 28 -4.342 16.987 2.907 187 HD3 PRO 28 2HD PRO 28 -5.152 18.485 3.408 188 H VAL 29 H VAL 29 -9.682 15.359 2.584 189 HA VAL 29 HA VAL 29 -8.743 12.784 2.095 190 HB VAL 29 HB VAL 29 -11.430 13.942 1.340 191 HG11 VAL 29 1HG1 VAL 29 -10.449 11.572 0.490 192 HG12 VAL 29 2HG1 VAL 29 -11.177 11.091 2.024 193 HG13 VAL 29 3HG1 VAL 29 -12.158 11.882 0.790 194 HG21 VAL 29 3HG2 VAL 29 -10.362 13.770 3.840 195 HG22 VAL 29 1HG2 VAL 29 -12.088 13.729 3.476 196 HG23 VAL 29 2HG2 VAL 29 -11.199 12.223 3.705 197 H GLY 30 H GLY 30 -8.274 11.619 0.299 198 HA2 GLY 30 1HA GLY 30 -8.449 11.151 -2.044 199 HA3 GLY 30 2HA GLY 30 -8.747 12.860 -2.325 200 H THR 31 H THR 31 -6.345 12.827 -0.132 201 HA THR 31 HA THR 31 -4.361 13.557 -2.055 202 HB THR 31 HB THR 31 -4.076 13.117 0.924 203 HG1 THR 31 1HG THR 31 -5.552 14.823 0.177 204 HG21 THR 31 3HG2 THR 31 -1.883 13.252 0.462 205 HG22 THR 31 1HG2 THR 31 -2.194 14.962 0.168 206 HG23 THR 31 2HG2 THR 31 -2.171 13.826 -1.180 207 H SER 32 H SER 32 -2.692 12.410 -2.854 208 HA SER 32 HA SER 32 -2.706 9.561 -2.519 209 HB2 SER 32 1HB SER 32 -0.861 9.587 -4.158 210 HB3 SER 32 2HB SER 32 -2.226 10.560 -4.705 211 HG SER 32 HG SER 32 -0.989 12.253 -4.683 212 H VAL 33 H VAL 33 -1.844 8.624 -0.793 213 HA VAL 33 HA VAL 33 0.293 9.894 0.696 214 HB VAL 33 HB VAL 33 -1.013 7.213 1.184 215 HG11 VAL 33 1HG1 VAL 33 0.955 8.879 2.676 216 HG12 VAL 33 2HG1 VAL 33 -0.214 7.920 3.586 217 HG13 VAL 33 3HG1 VAL 33 0.891 7.130 2.460 218 HG21 VAL 33 3HG2 VAL 33 -2.082 9.835 1.457 219 HG22 VAL 33 1HG2 VAL 33 -2.814 8.293 1.902 220 HG23 VAL 33 2HG2 VAL 33 -1.825 9.169 3.069 221 H ILE 34 H ILE 34 -0.129 6.573 -0.545 222 HA ILE 34 HA ILE 34 2.649 6.622 -1.477 223 HB ILE 34 HB ILE 34 2.686 5.580 0.748 224 HG12 ILE 34 1HG1 ILE 34 3.489 3.221 -0.156 225 HG13 ILE 34 2HG1 ILE 34 3.295 4.009 -1.718 226 HG21 ILE 34 1HG2 ILE 34 0.690 3.687 -0.474 227 HG22 ILE 34 2HG2 ILE 34 1.582 3.342 1.006 228 HG23 ILE 34 3HG2 ILE 34 0.479 4.716 0.943 229 HD11 ILE 34 3HD1 ILE 34 5.027 4.982 0.541 230 HD12 ILE 34 1HD1 ILE 34 5.584 4.161 -0.917 231 HD13 ILE 34 2HD1 ILE 34 4.843 5.758 -1.031 232 H GLN 35 H GLN 35 2.997 5.544 -3.350 233 HA GLN 35 HA GLN 35 0.722 4.040 -4.466 234 HB2 GLN 35 1HB GLN 35 1.192 6.239 -5.570 235 HB3 GLN 35 2HB GLN 35 2.774 5.618 -6.024 236 HG2 GLN 35 1HG GLN 35 1.924 4.205 -7.601 237 HG3 GLN 35 2HG GLN 35 0.372 4.045 -6.782 238 HE21 GLN 35 1HE2 GLN 35 -0.991 4.588 -8.381 239 HE22 GLN 35 2HE2 GLN 35 -1.003 6.118 -9.184 240 H LEU 36 H LEU 36 1.177 1.941 -4.442 241 HA LEU 36 HA LEU 36 3.944 1.057 -4.806 242 HB2 LEU 36 1HB LEU 36 1.556 -0.622 -4.075 243 HB3 LEU 36 2HB LEU 36 3.260 -1.047 -3.918 244 HG LEU 36 HG LEU 36 2.223 1.284 -2.377 245 HD11 LEU 36 1HD1 LEU 36 1.204 0.040 -0.730 246 HD12 LEU 36 2HD1 LEU 36 1.995 -1.458 -1.219 247 HD13 LEU 36 3HD1 LEU 36 0.675 -0.801 -2.187 248 HD21 LEU 36 3HD2 LEU 36 4.379 -0.780 -2.087 249 HD22 LEU 36 1HD2 LEU 36 3.844 0.187 -0.712 250 HD23 LEU 36 2HD2 LEU 36 4.521 0.978 -2.136 251 H HIS 37 H HIS 37 4.630 0.180 -6.645 252 HA HIS 37 HA HIS 37 2.616 -0.745 -8.589 253 HB2 HIS 37 1HB HIS 37 3.910 1.436 -9.103 254 HB3 HIS 37 2HB HIS 37 5.287 0.378 -9.400 255 HD1 HIS 37 1HD HIS 37 2.409 1.829 -11.037 256 HD2 HIS 37 2HD HIS 37 4.702 -1.603 -11.515 257 HE1 HIS 37 1HE HIS 37 1.913 1.008 -13.361 258 HE2 HIS 37 2HE HIS 37 3.246 -1.116 -13.597 259 H ALA 38 H ALA 38 2.704 -2.894 -8.628 260 HA ALA 38 HA ALA 38 5.345 -4.166 -8.884 261 HB1 ALA 38 3HB ALA 38 4.786 -5.908 -7.398 262 HB2 ALA 38 1HB ALA 38 4.322 -4.417 -6.578 263 HB3 ALA 38 2HB ALA 38 3.091 -5.424 -7.342 264 H THR 39 H THR 39 5.407 -4.930 -10.894 265 HA THR 39 HA THR 39 3.042 -6.367 -11.911 266 HB THR 39 HB THR 39 3.808 -5.719 -14.211 267 HG1 THR 39 1HG THR 39 5.714 -4.813 -14.298 268 HG21 THR 39 3HG2 THR 39 3.358 -3.114 -12.930 269 HG22 THR 39 1HG2 THR 39 2.205 -4.367 -12.472 270 HG23 THR 39 2HG2 THR 39 2.420 -3.944 -14.171 271 H ASP 40 H ASP 40 3.436 -8.183 -13.254 272 HA ASP 40 HA ASP 40 6.122 -9.342 -12.905 273 HB2 ASP 40 1HB ASP 40 4.557 -10.646 -11.660 274 HB3 ASP 40 2HB ASP 40 3.408 -10.659 -12.995 275 H ALA 41 H ALA 41 7.134 -10.300 -14.633 276 HA ALA 41 HA ALA 41 6.848 -9.312 -17.154 277 HB1 ALA 41 3HB ALA 41 8.275 -11.502 -15.947 278 HB2 ALA 41 1HB ALA 41 7.749 -11.920 -17.578 279 HB3 ALA 41 2HB ALA 41 8.731 -10.480 -17.309 280 H ASP 42 H ASP 42 4.931 -9.214 -18.180 281 HA ASP 42 HA ASP 42 2.997 -11.305 -18.123 282 HB2 ASP 42 1HB ASP 42 3.274 -8.796 -19.773 283 HB3 ASP 42 2HB ASP 42 1.941 -9.926 -19.997 284 H ILE 43 H ILE 43 4.506 -13.038 -18.779 285 HA ILE 43 HA ILE 43 5.196 -13.087 -21.612 286 HB ILE 43 HB ILE 43 6.067 -15.457 -20.846 287 HG12 ILE 43 1HG1 ILE 43 6.273 -13.953 -18.244 288 HG13 ILE 43 2HG1 ILE 43 4.949 -15.068 -18.563 289 HG21 ILE 43 1HG2 ILE 43 7.254 -12.749 -20.504 290 HG22 ILE 43 2HG2 ILE 43 8.153 -14.149 -19.921 291 HG23 ILE 43 3HG2 ILE 43 7.692 -14.042 -21.620 292 HD11 ILE 43 3HD1 ILE 43 7.225 -15.781 -17.363 293 HD12 ILE 43 1HD1 ILE 43 6.253 -16.888 -18.333 294 HD13 ILE 43 2HD1 ILE 43 7.665 -16.103 -19.040 295 H GLY 44 H GLY 44 3.551 -13.611 -22.916 296 HA2 GLY 44 1HA GLY 44 2.257 -15.313 -23.946 297 HA3 GLY 44 2HA GLY 44 2.164 -16.141 -22.399 298 H SER 45 H SER 45 1.009 -14.738 -20.655 299 HA SER 45 HA SER 45 -1.359 -13.489 -21.887 300 HB2 SER 45 1HB SER 45 -2.780 -14.529 -20.229 301 HB3 SER 45 2HB SER 45 -1.826 -15.788 -21.012 302 HG SER 45 HG SER 45 -0.654 -16.047 -19.217 303 H ASN 46 H ASN 46 -2.527 -12.002 -20.458 304 HA ASN 46 HA ASN 46 -0.743 -10.183 -19.197 305 HB2 ASN 46 1HB ASN 46 -2.968 -9.075 -18.488 306 HB3 ASN 46 2HB ASN 46 -2.597 -9.168 -20.208 307 HD21 ASN 46 1HD2 ASN 46 -4.305 -10.868 -17.623 308 HD22 ASN 46 2HD2 ASN 46 -5.580 -11.469 -18.622 309 H ALA 47 H ALA 47 -0.826 -9.452 -16.990 310 HA ALA 47 HA ALA 47 -1.629 -11.581 -15.116 311 HB1 ALA 47 3HB ALA 47 0.887 -10.956 -15.502 312 HB2 ALA 47 1HB ALA 47 0.504 -9.624 -14.412 313 HB3 ALA 47 2HB ALA 47 0.282 -11.291 -13.881 314 H GLU 48 H GLU 48 -3.341 -11.018 -13.954 315 HA GLU 48 HA GLU 48 -3.925 -8.199 -13.490 316 HB2 GLU 48 1HB GLU 48 -5.565 -10.650 -12.822 317 HB3 GLU 48 2HB GLU 48 -6.105 -8.982 -12.702 318 HG2 GLU 48 1HG GLU 48 -7.011 -9.521 -14.707 319 HG3 GLU 48 2HG GLU 48 -5.436 -8.946 -15.252 320 H ILE 49 H ILE 49 -2.278 -7.753 -11.965 321 HA ILE 49 HA ILE 49 -1.920 -9.216 -9.571 322 HB ILE 49 HB ILE 49 -1.253 -6.323 -10.131 323 HG12 ILE 49 1HG1 ILE 49 -0.222 -8.004 -11.681 324 HG13 ILE 49 2HG1 ILE 49 0.946 -7.092 -10.731 325 HG21 ILE 49 1HG2 ILE 49 -0.912 -8.034 -7.786 326 HG22 ILE 49 2HG2 ILE 49 0.570 -7.241 -8.315 327 HG23 ILE 49 3HG2 ILE 49 -0.855 -6.277 -7.928 328 HD11 ILE 49 3HD1 ILE 49 1.820 -8.979 -9.999 329 HD12 ILE 49 1HD1 ILE 49 0.274 -9.433 -9.284 330 HD13 ILE 49 2HD1 ILE 49 0.646 -9.892 -10.946 331 H ARG 50 H ARG 50 -3.147 -9.305 -7.816 332 HA ARG 50 HA ARG 50 -5.120 -7.164 -7.373 333 HB2 ARG 50 1HB ARG 50 -5.201 -10.107 -6.725 334 HB3 ARG 50 2HB ARG 50 -6.315 -8.954 -6.001 335 HG2 ARG 50 1HG ARG 50 -6.035 -9.084 -8.970 336 HG3 ARG 50 2HG ARG 50 -7.012 -10.281 -8.118 337 HD2 ARG 50 1HD ARG 50 -7.368 -7.315 -7.756 338 HD3 ARG 50 2HD ARG 50 -8.238 -8.242 -8.978 339 HE ARG 50 HE ARG 50 -8.680 -8.273 -6.118 340 HH11 ARG 50 1HH1 ARG 50 -9.226 -9.855 -9.171 341 HH12 ARG 50 2HH1 ARG 50 -10.623 -10.719 -8.622 342 HH21 ARG 50 1HH2 ARG 50 -10.519 -9.405 -5.383 343 HH22 ARG 50 2HH2 ARG 50 -11.358 -10.462 -6.467 344 H TYR 51 H TYR 51 -4.645 -5.855 -5.748 345 HA TYR 51 HA TYR 51 -2.732 -6.654 -3.722 346 HB2 TYR 51 1HB TYR 51 -4.210 -4.031 -3.998 347 HB3 TYR 51 2HB TYR 51 -2.784 -4.339 -3.014 348 HD1 TYR 51 1HD TYR 51 -4.033 -3.815 -6.420 349 HD2 TYR 51 2HD TYR 51 -0.585 -4.497 -4.022 350 HE1 TYR 51 1HE TYR 51 -2.598 -3.165 -8.309 351 HE2 TYR 51 2HE TYR 51 0.859 -3.847 -5.904 352 HH TYR 51 HH TYR 51 0.923 -2.984 -7.963 353 H ILE 52 H ILE 52 -3.160 -7.110 -1.635 354 HA ILE 52 HA ILE 52 -5.883 -6.692 -0.627 355 HB ILE 52 HB ILE 52 -5.938 -8.923 0.367 356 HG12 ILE 52 1HG1 ILE 52 -4.176 -10.552 -0.752 357 HG13 ILE 52 2HG1 ILE 52 -3.213 -9.081 -0.852 358 HG21 ILE 52 1HG2 ILE 52 -5.423 -9.801 -2.340 359 HG22 ILE 52 2HG2 ILE 52 -6.946 -9.694 -1.460 360 HG23 ILE 52 3HG2 ILE 52 -6.316 -8.281 -2.305 361 HD11 ILE 52 3HD1 ILE 52 -2.868 -8.997 1.374 362 HD12 ILE 52 1HD1 ILE 52 -4.452 -9.670 1.760 363 HD13 ILE 52 2HD1 ILE 52 -3.146 -10.733 1.236 364 H PHE 53 H PHE 53 -6.025 -6.953 1.749 365 HA PHE 53 HA PHE 53 -3.881 -5.552 3.018 366 HB2 PHE 53 1HB PHE 53 -6.541 -6.612 3.896 367 HB3 PHE 53 2HB PHE 53 -5.368 -6.110 5.110 368 HD1 PHE 53 2HD PHE 53 -4.398 -3.739 4.878 369 HD2 PHE 53 1HD PHE 53 -7.933 -5.052 2.905 370 HE1 PHE 53 2HE PHE 53 -5.103 -1.400 4.593 371 HE2 PHE 53 1HE PHE 53 -8.644 -2.714 2.616 372 HZ PHE 53 HZ PHE 53 -7.229 -0.884 3.462 373 H GLY 54 H GLY 54 -2.099 -6.426 3.826 374 HA2 GLY 54 1HA GLY 54 -1.541 -9.150 3.919 375 HA3 GLY 54 2HA GLY 54 -0.657 -7.918 4.808 376 H ALA 55 H ALA 55 -0.574 -10.001 6.200 377 HA ALA 55 HA ALA 55 -2.940 -10.479 7.793 378 HB1 ALA 55 3HB ALA 55 -1.943 -12.468 7.883 379 HB2 ALA 55 1HB ALA 55 -0.403 -11.803 7.336 380 HB3 ALA 55 2HB ALA 55 -0.827 -11.755 9.048 381 H GLN 56 H GLN 56 -3.055 -10.183 10.074 382 HA GLN 56 HA GLN 56 -2.866 -8.986 11.999 383 HB2 GLN 56 1HB GLN 56 0.003 -8.638 11.113 384 HB3 GLN 56 2HB GLN 56 -0.616 -8.321 12.729 385 HG2 GLN 56 1HG GLN 56 -0.944 -11.024 11.508 386 HG3 GLN 56 2HG GLN 56 0.597 -10.552 12.223 387 HE21 GLN 56 1HE2 GLN 56 0.385 -12.129 13.825 388 HE22 GLN 56 2HE2 GLN 56 -0.703 -11.937 15.153 389 H VAL 57 H VAL 57 -4.118 -7.590 10.157 390 HA VAL 57 HA VAL 57 -2.937 -4.892 10.310 391 HB VAL 57 HB VAL 57 -4.675 -6.032 8.118 392 HG11 VAL 57 1HG1 VAL 57 -3.892 -3.655 7.158 393 HG12 VAL 57 2HG1 VAL 57 -5.408 -3.892 8.030 394 HG13 VAL 57 3HG1 VAL 57 -3.994 -3.258 8.873 395 HG21 VAL 57 3HG2 VAL 57 -2.674 -5.461 6.711 396 HG22 VAL 57 1HG2 VAL 57 -1.789 -5.177 8.210 397 HG23 VAL 57 2HG2 VAL 57 -2.429 -6.781 7.855 398 H ALA 58 H ALA 58 -4.036 -3.576 11.592 399 HA ALA 58 HA ALA 58 -6.526 -4.217 12.740 400 HB1 ALA 58 3HB ALA 58 -5.017 -2.790 13.922 401 HB2 ALA 58 1HB ALA 58 -5.025 -1.608 12.613 402 HB3 ALA 58 2HB ALA 58 -6.479 -1.867 13.577 403 HA PRO 59 HA PRO 59 -9.461 -2.838 9.775 404 HB2 PRO 59 1HB PRO 59 -11.496 -2.096 11.411 405 HB3 PRO 59 2HB PRO 59 -11.065 -3.785 11.120 406 HG2 PRO 59 1HG PRO 59 -10.355 -2.021 13.432 407 HG3 PRO 59 2HG PRO 59 -10.882 -3.714 13.437 408 HD2 PRO 59 1HD PRO 59 -8.284 -2.996 13.697 409 HD3 PRO 59 2HD PRO 59 -8.784 -4.500 12.897 410 H ALA 60 H ALA 60 -9.307 -0.667 12.607 411 HA ALA 60 HA ALA 60 -10.331 1.632 11.626 412 HB1 ALA 60 3HB ALA 60 -9.652 2.153 13.686 413 HB2 ALA 60 1HB ALA 60 -8.340 0.975 13.641 414 HB3 ALA 60 2HB ALA 60 -8.108 2.580 12.947 415 H THR 61 H THR 61 -6.944 0.614 11.189 416 HA THR 61 HA THR 61 -6.050 2.761 9.686 417 HB THR 61 HB THR 61 -5.224 -0.135 9.403 418 HG1 THR 61 1HG THR 61 -4.950 0.728 11.522 419 HG21 THR 61 3HG2 THR 61 -4.283 2.354 8.149 420 HG22 THR 61 1HG2 THR 61 -4.101 0.681 7.624 421 HG23 THR 61 2HG2 THR 61 -3.016 1.345 8.846 422 H LYS 62 H LYS 62 -7.852 -0.086 8.671 423 HA LYS 62 HA LYS 62 -7.619 0.423 5.872 424 HB2 LYS 62 1HB LYS 62 -9.792 -1.189 7.202 425 HB3 LYS 62 2HB LYS 62 -9.156 -1.368 5.573 426 HG2 LYS 62 1HG LYS 62 -7.203 -2.388 6.312 427 HG3 LYS 62 2HG LYS 62 -7.400 -1.787 7.960 428 HD2 LYS 62 1HD LYS 62 -8.069 -3.945 8.274 429 HD3 LYS 62 2HD LYS 62 -9.619 -3.233 7.822 430 HE2 LYS 62 1HE LYS 62 -7.863 -4.265 5.657 431 HE3 LYS 62 2HE LYS 62 -8.698 -5.437 6.675 432 HZ1 LYS 62 3HZ LYS 62 -10.196 -3.204 5.476 433 HZ2 LYS 62 1HZ LYS 62 -10.752 -4.728 5.958 434 HZ3 LYS 62 2HZ LYS 62 -9.836 -4.570 4.545 435 H ARG 63 H ARG 63 -10.103 1.078 8.312 436 HA ARG 63 HA ARG 63 -12.114 2.059 6.680 437 HB2 ARG 63 1HB ARG 63 -12.025 1.683 9.262 438 HB3 ARG 63 2HB ARG 63 -11.514 3.365 9.311 439 HG2 ARG 63 1HG ARG 63 -13.754 3.647 9.545 440 HG3 ARG 63 2HG ARG 63 -13.646 3.684 7.784 441 HD2 ARG 63 1HD ARG 63 -13.961 1.082 8.050 442 HD3 ARG 63 2HD ARG 63 -14.687 1.553 9.586 443 HE ARG 63 HE ARG 63 -16.471 2.461 8.444 444 HH11 ARG 63 1HH1 ARG 63 -13.931 1.618 6.217 445 HH12 ARG 63 2HH1 ARG 63 -14.914 1.840 4.808 446 HH21 ARG 63 1HH2 ARG 63 -17.776 2.757 6.596 447 HH22 ARG 63 2HH2 ARG 63 -17.101 2.489 5.025 448 H LEU 64 H LEU 64 -9.283 3.726 7.987 449 HA LEU 64 HA LEU 64 -10.043 6.244 6.788 450 HB2 LEU 64 1HB LEU 64 -7.441 5.448 8.085 451 HB3 LEU 64 2HB LEU 64 -7.965 7.087 7.703 452 HG LEU 64 HG LEU 64 -9.518 5.371 9.612 453 HD11 LEU 64 1HD1 LEU 64 -6.851 6.436 9.988 454 HD12 LEU 64 2HD1 LEU 64 -7.791 5.353 11.013 455 HD13 LEU 64 3HD1 LEU 64 -8.000 7.098 11.150 456 HD21 LEU 64 3HD2 LEU 64 -9.395 8.237 8.837 457 HD22 LEU 64 1HD2 LEU 64 -9.783 7.845 10.513 458 HD23 LEU 64 2HD2 LEU 64 -10.789 7.220 9.206 459 H PHE 65 H PHE 65 -7.451 3.851 6.320 460 HA PHE 65 HA PHE 65 -6.718 5.134 3.802 461 HB2 PHE 65 1HB PHE 65 -5.442 2.934 5.427 462 HB3 PHE 65 2HB PHE 65 -4.868 3.395 3.828 463 HD1 PHE 65 1HD PHE 65 -4.106 5.782 3.472 464 HD2 PHE 65 2HD PHE 65 -4.776 4.110 7.328 465 HE1 PHE 65 1HE PHE 65 -2.730 7.557 4.477 466 HE2 PHE 65 2HE PHE 65 -3.402 5.883 8.339 467 HZ PHE 65 HZ PHE 65 -2.378 7.610 6.914 468 H ALA 66 H ALA 66 -7.456 4.442 1.912 469 HA ALA 66 HA ALA 66 -8.783 1.825 1.794 470 HB1 ALA 66 3HB ALA 66 -9.853 2.698 -0.261 471 HB2 ALA 66 1HB ALA 66 -10.206 3.664 1.172 472 HB3 ALA 66 2HB ALA 66 -9.021 4.232 -0.005 473 H LEU 67 H LEU 67 -7.796 0.198 0.808 474 HA LEU 67 HA LEU 67 -5.485 0.758 -0.896 475 HB2 LEU 67 1HB LEU 67 -4.978 -0.798 0.793 476 HB3 LEU 67 2HB LEU 67 -6.472 -1.694 0.526 477 HG LEU 67 HG LEU 67 -5.522 -2.366 -1.718 478 HD11 LEU 67 1HD1 LEU 67 -3.754 -0.475 -1.522 479 HD12 LEU 67 2HD1 LEU 67 -3.305 -2.015 -2.254 480 HD13 LEU 67 3HD1 LEU 67 -2.847 -1.664 -0.588 481 HD21 LEU 67 3HD2 LEU 67 -5.571 -3.802 0.325 482 HD22 LEU 67 1HD2 LEU 67 -3.926 -3.270 0.672 483 HD23 LEU 67 2HD2 LEU 67 -4.266 -4.179 -0.801 484 H ASN 68 H ASN 68 -5.361 0.191 -3.016 485 HA ASN 68 HA ASN 68 -7.866 -0.686 -4.268 486 HB2 ASN 68 1HB ASN 68 -5.588 1.023 -5.137 487 HB3 ASN 68 2HB ASN 68 -6.413 0.080 -6.376 488 HD21 ASN 68 1HD2 ASN 68 -7.302 1.828 -7.401 489 HD22 ASN 68 2HD2 ASN 68 -8.553 2.794 -6.704 490 H ASN 69 H ASN 69 -8.017 -2.550 -5.378 491 HA ASN 69 HA ASN 69 -5.687 -4.315 -5.350 492 HB2 ASN 69 1HB ASN 69 -8.503 -5.071 -6.126 493 HB3 ASN 69 2HB ASN 69 -7.202 -6.130 -5.588 494 HD21 ASN 69 1HD2 ASN 69 -8.055 -7.003 -3.805 495 HD22 ASN 69 2HD2 ASN 69 -8.591 -6.108 -2.428 496 H THR 70 H THR 70 -6.768 -2.086 -7.381 497 HA THR 70 HA THR 70 -6.154 -3.675 -9.787 498 HB THR 70 HB THR 70 -7.454 -2.003 -11.080 499 HG1 THR 70 1HG THR 70 -7.250 -0.490 -9.069 500 HG21 THR 70 3HG2 THR 70 -9.617 -2.851 -10.522 501 HG22 THR 70 1HG2 THR 70 -9.116 -3.207 -8.870 502 HG23 THR 70 2HG2 THR 70 -8.453 -4.139 -10.212 503 H THR 71 H THR 71 -5.506 -0.792 -7.951 504 HA THR 71 HA THR 71 -3.368 -0.101 -9.861 505 HB THR 71 HB THR 71 -3.583 2.255 -9.059 506 HG1 THR 71 1HG THR 71 -4.701 1.807 -7.098 507 HG21 THR 71 3HG2 THR 71 -6.240 2.051 -10.050 508 HG22 THR 71 1HG2 THR 71 -5.260 0.828 -10.857 509 HG23 THR 71 2HG2 THR 71 -4.780 2.524 -10.917 510 H GLY 72 H GLY 72 -4.225 -0.876 -6.636 511 HA2 GLY 72 1HA GLY 72 -2.977 -1.161 -4.731 512 HA3 GLY 72 2HA GLY 72 -1.580 -1.249 -5.794 513 H LEU 73 H LEU 73 -3.730 1.520 -5.421 514 HA LEU 73 HA LEU 73 -1.447 3.033 -4.339 515 HB2 LEU 73 1HB LEU 73 -1.918 3.992 -6.399 516 HB3 LEU 73 2HB LEU 73 -3.657 3.773 -6.212 517 HG LEU 73 HG LEU 73 -3.477 5.547 -4.360 518 HD11 LEU 73 1HD1 LEU 73 -1.624 6.903 -4.232 519 HD12 LEU 73 2HD1 LEU 73 -1.057 6.466 -5.843 520 HD13 LEU 73 3HD1 LEU 73 -0.882 5.327 -4.508 521 HD21 LEU 73 3HD2 LEU 73 -2.943 7.159 -6.616 522 HD22 LEU 73 1HD2 LEU 73 -4.509 6.709 -5.941 523 HD23 LEU 73 2HD2 LEU 73 -3.769 5.710 -7.193 524 H ILE 74 H ILE 74 -1.630 3.693 -2.310 525 HA ILE 74 HA ILE 74 -4.184 3.523 -0.950 526 HB ILE 74 HB ILE 74 -1.412 4.185 0.041 527 HG12 ILE 74 1HG1 ILE 74 -3.181 1.820 0.674 528 HG13 ILE 74 2HG1 ILE 74 -1.984 1.810 -0.616 529 HG21 ILE 74 1HG2 ILE 74 -2.821 3.687 2.289 530 HG22 ILE 74 2HG2 ILE 74 -2.503 5.303 1.662 531 HG23 ILE 74 3HG2 ILE 74 -4.041 4.512 1.319 532 HD11 ILE 74 3HD1 ILE 74 -1.503 2.074 2.337 533 HD12 ILE 74 1HD1 ILE 74 -1.013 0.759 1.269 534 HD13 ILE 74 2HD1 ILE 74 -0.259 2.346 1.117 535 H THR 75 H THR 75 -5.529 5.170 -0.697 536 HA THR 75 HA THR 75 -4.448 7.909 -0.786 537 HB THR 75 HB THR 75 -6.629 8.598 -1.840 538 HG1 THR 75 1HG THR 75 -8.065 7.031 -1.814 539 HG21 THR 75 3HG2 THR 75 -4.694 6.803 -3.281 540 HG22 THR 75 1HG2 THR 75 -4.767 8.564 -3.280 541 HG23 THR 75 2HG2 THR 75 -6.003 7.631 -4.124 542 H VAL 76 H VAL 76 -5.578 9.483 0.445 543 HA VAL 76 HA VAL 76 -6.498 8.567 2.952 544 HB VAL 76 HB VAL 76 -6.828 11.317 1.742 545 HG11 VAL 76 1HG1 VAL 76 -7.004 10.321 4.580 546 HG12 VAL 76 2HG1 VAL 76 -6.874 12.025 4.141 547 HG13 VAL 76 3HG1 VAL 76 -8.275 11.086 3.627 548 HG21 VAL 76 3HG2 VAL 76 -4.777 11.860 3.019 549 HG22 VAL 76 1HG2 VAL 76 -4.606 10.149 3.414 550 HG23 VAL 76 2HG2 VAL 76 -4.499 10.682 1.737 551 H GLN 77 H GLN 77 -8.438 7.884 3.557 552 HA GLN 77 HA GLN 77 -10.739 8.488 1.827 553 HB2 GLN 77 1HB GLN 77 -9.942 6.059 2.315 554 HB3 GLN 77 2HB GLN 77 -10.715 6.297 3.876 555 HG2 GLN 77 1HG GLN 77 -12.840 6.652 2.849 556 HG3 GLN 77 2HG GLN 77 -12.115 6.670 1.242 557 HE21 GLN 77 1HE2 GLN 77 -11.876 4.526 4.062 558 HE22 GLN 77 2HE2 GLN 77 -12.236 3.072 3.201 559 H ARG 78 H ARG 78 -9.462 8.758 5.034 560 HA ARG 78 HA ARG 78 -11.768 10.380 5.794 561 HB2 ARG 78 1HB ARG 78 -10.745 8.018 7.372 562 HB3 ARG 78 2HB ARG 78 -11.763 9.272 8.067 563 HG2 ARG 78 1HG ARG 78 -12.711 7.941 5.593 564 HG3 ARG 78 2HG ARG 78 -12.759 7.025 7.100 565 HD2 ARG 78 1HD ARG 78 -13.814 9.802 7.120 566 HD3 ARG 78 2HD ARG 78 -14.775 8.560 6.317 567 HE ARG 78 HE ARG 78 -14.264 7.402 8.668 568 HH11 ARG 78 1HH1 ARG 78 -15.367 10.608 7.879 569 HH12 ARG 78 2HH1 ARG 78 -16.271 10.799 9.345 570 HH21 ARG 78 1HH2 ARG 78 -15.451 7.641 10.602 571 HH22 ARG 78 2HH2 ARG 78 -16.317 9.111 10.893 572 H SER 79 H SER 79 -11.346 11.696 7.731 573 HA SER 79 HA SER 79 -8.841 12.980 7.571 574 HB2 SER 79 1HB SER 79 -11.235 13.206 9.337 575 HB3 SER 79 2HB SER 79 -9.735 13.962 9.875 576 HG SER 79 HG SER 79 -10.510 14.408 7.239 577 H LEU 80 H LEU 80 -6.957 12.376 8.384 578 HA LEU 80 HA LEU 80 -6.735 10.190 10.215 579 HB2 LEU 80 1HB LEU 80 -4.562 12.089 9.362 580 HB3 LEU 80 2HB LEU 80 -4.371 10.457 9.997 581 HG LEU 80 HG LEU 80 -5.846 10.861 7.433 582 HD11 LEU 80 1HD1 LEU 80 -4.047 11.353 6.192 583 HD12 LEU 80 2HD1 LEU 80 -2.974 10.348 7.165 584 HD13 LEU 80 3HD1 LEU 80 -3.383 11.978 7.701 585 HD21 LEU 80 3HD2 LEU 80 -4.025 8.677 7.482 586 HD22 LEU 80 1HD2 LEU 80 -5.788 8.645 7.445 587 HD23 LEU 80 2HD2 LEU 80 -4.940 8.676 8.991 588 H ASP 81 H ASP 81 -6.072 10.194 12.343 589 HA ASP 81 HA ASP 81 -6.036 12.825 13.673 590 HB2 ASP 81 1HB ASP 81 -7.120 10.220 14.768 591 HB3 ASP 81 2HB ASP 81 -7.073 11.757 15.628 592 H ARG 82 H ARG 82 -4.254 13.290 14.780 593 HA ARG 82 HA ARG 82 -2.163 11.311 15.015 594 HB2 ARG 82 1HB ARG 82 -1.917 13.826 14.418 595 HB3 ARG 82 2HB ARG 82 -2.024 14.086 16.154 596 HG2 ARG 82 1HG ARG 82 -0.047 12.847 16.554 597 HG3 ARG 82 2HG ARG 82 -0.021 12.231 14.900 598 HD2 ARG 82 1HD ARG 82 1.615 14.060 15.336 599 HD3 ARG 82 2HD ARG 82 0.481 14.400 14.029 600 HE ARG 82 HE ARG 82 -0.330 16.155 15.247 601 HH11 ARG 82 1HH1 ARG 82 1.450 14.040 17.363 602 HH12 ARG 82 2HH1 ARG 82 1.356 15.108 18.723 603 HH21 ARG 82 1HH2 ARG 82 -0.461 17.570 17.031 604 HH22 ARG 82 2HH2 ARG 82 0.268 17.115 18.534 605 H GLU 83 H GLU 83 -4.174 13.237 17.208 606 HA GLU 83 HA GLU 83 -3.144 12.712 19.649 607 HB2 GLU 83 1HB GLU 83 -5.450 12.735 20.545 608 HB3 GLU 83 2HB GLU 83 -5.163 14.020 19.380 609 HG2 GLU 83 1HG GLU 83 -6.164 12.333 17.676 610 HG3 GLU 83 2HG GLU 83 -6.832 11.564 19.114 611 H GLU 84 H GLU 84 -4.962 10.452 17.648 612 HA GLU 84 HA GLU 84 -4.864 8.382 19.674 613 HB2 GLU 84 1HB GLU 84 -6.711 8.845 17.847 614 HB3 GLU 84 2HB GLU 84 -5.668 7.845 16.846 615 HG2 GLU 84 1HG GLU 84 -6.603 6.936 19.543 616 HG3 GLU 84 2HG GLU 84 -7.577 6.706 18.092 617 H THR 85 H THR 85 -3.829 8.477 16.260 618 HA THR 85 HA THR 85 -1.447 6.927 17.037 619 HB THR 85 HB THR 85 -2.919 5.388 15.914 620 HG1 THR 85 1HG THR 85 -0.714 5.245 15.322 621 HG21 THR 85 3HG2 THR 85 -4.294 7.112 14.759 622 HG22 THR 85 1HG2 THR 85 -3.826 5.772 13.714 623 HG23 THR 85 2HG2 THR 85 -2.987 7.319 13.594 624 H ALA 86 H ALA 86 0.387 7.926 16.553 625 HA ALA 86 HA ALA 86 0.359 10.219 14.769 626 HB1 ALA 86 3HB ALA 86 2.930 9.407 15.918 627 HB2 ALA 86 1HB ALA 86 2.121 10.974 15.933 628 HB3 ALA 86 2HB ALA 86 1.667 9.735 17.104 629 H ILE 87 H ILE 87 1.231 6.903 14.690 630 HA ILE 87 HA ILE 87 2.388 7.288 12.018 631 HB ILE 87 HB ILE 87 3.481 5.397 14.105 632 HG12 ILE 87 1HG1 ILE 87 4.954 7.675 12.802 633 HG13 ILE 87 2HG1 ILE 87 3.993 7.926 14.255 634 HG21 ILE 87 1HG2 ILE 87 3.557 4.470 11.841 635 HG22 ILE 87 2HG2 ILE 87 4.401 5.913 11.281 636 HG23 ILE 87 3HG2 ILE 87 5.172 4.837 12.446 637 HD11 ILE 87 3HD1 ILE 87 5.421 5.901 15.137 638 HD12 ILE 87 1HD1 ILE 87 6.542 6.454 13.893 639 HD13 ILE 87 2HD1 ILE 87 6.037 7.553 15.177 640 H HIS 88 H HIS 88 1.727 5.859 10.498 641 HA HIS 88 HA HIS 88 -0.069 3.699 11.392 642 HB2 HIS 88 1HB HIS 88 -0.243 5.627 9.118 643 HB3 HIS 88 2HB HIS 88 -0.924 4.016 8.907 644 HD1 HIS 88 1HD HIS 88 -2.719 3.340 10.878 645 HD2 HIS 88 2HD HIS 88 -1.937 7.379 10.298 646 HE1 HIS 88 1HE HIS 88 -4.639 4.557 11.953 647 HE2 HIS 88 2HE HIS 88 -4.188 6.996 11.515 648 H LYS 89 H LYS 89 0.760 1.746 11.113 649 HA LYS 89 HA LYS 89 2.737 1.334 8.976 650 HB2 LYS 89 1HB LYS 89 2.249 -0.089 11.586 651 HB3 LYS 89 2HB LYS 89 3.249 -0.786 10.318 652 HG2 LYS 89 1HG LYS 89 4.664 1.264 10.409 653 HG3 LYS 89 2HG LYS 89 3.725 1.783 11.811 654 HD2 LYS 89 1HD LYS 89 4.375 -0.282 12.983 655 HD3 LYS 89 2HD LYS 89 5.350 -0.752 11.588 656 HE2 LYS 89 1HE LYS 89 5.777 1.867 12.989 657 HE3 LYS 89 2HE LYS 89 6.527 0.382 13.572 658 HZ1 LYS 89 3HZ LYS 89 8.076 0.546 12.018 659 HZ2 LYS 89 1HZ LYS 89 7.446 2.050 11.568 660 HZ3 LYS 89 2HZ LYS 89 6.922 0.646 10.785 661 H VAL 90 H VAL 90 1.792 0.587 7.188 662 HA VAL 90 HA VAL 90 -0.206 -1.564 7.471 663 HB VAL 90 HB VAL 90 -0.006 0.499 5.272 664 HG11 VAL 90 1HG1 VAL 90 -1.321 -2.093 5.415 665 HG12 VAL 90 2HG1 VAL 90 -2.435 -0.778 5.036 666 HG13 VAL 90 3HG1 VAL 90 -1.016 -1.053 4.024 667 HG21 VAL 90 3HG2 VAL 90 -2.276 1.151 6.139 668 HG22 VAL 90 1HG2 VAL 90 -1.956 0.123 7.536 669 HG23 VAL 90 2HG2 VAL 90 -0.928 1.519 7.215 670 H THR 91 H THR 91 -0.047 -3.345 6.136 671 HA THR 91 HA THR 91 2.399 -3.519 4.500 672 HB THR 91 HB THR 91 1.159 -5.781 6.078 673 HG1 THR 91 1HG THR 91 3.162 -3.917 6.674 674 HG21 THR 91 3HG2 THR 91 3.899 -5.753 4.863 675 HG22 THR 91 1HG2 THR 91 2.495 -6.210 3.900 676 HG23 THR 91 2HG2 THR 91 2.910 -7.130 5.346 677 H VAL 92 H VAL 92 1.867 -3.632 2.424 678 HA VAL 92 HA VAL 92 -0.671 -4.868 1.645 679 HB VAL 92 HB VAL 92 1.258 -3.208 0.016 680 HG11 VAL 92 1HG1 VAL 92 -0.672 -3.115 -1.594 681 HG12 VAL 92 2HG1 VAL 92 0.128 -4.683 -1.467 682 HG13 VAL 92 3HG1 VAL 92 -1.417 -4.413 -0.661 683 HG21 VAL 92 3HG2 VAL 92 0.243 -1.776 1.589 684 HG22 VAL 92 1HG2 VAL 92 -0.681 -1.569 0.101 685 HG23 VAL 92 2HG2 VAL 92 -1.327 -2.560 1.410 686 H LEU 93 H LEU 93 -0.809 -6.625 0.317 687 HA LEU 93 HA LEU 93 1.728 -7.983 -0.314 688 HB2 LEU 93 1HB LEU 93 -0.976 -9.072 0.417 689 HB3 LEU 93 2HB LEU 93 0.274 -10.068 -0.325 690 HG LEU 93 HG LEU 93 0.606 -8.624 2.301 691 HD11 LEU 93 1HD1 LEU 93 0.166 -10.682 3.410 692 HD12 LEU 93 2HD1 LEU 93 0.044 -11.551 1.881 693 HD13 LEU 93 3HD1 LEU 93 -1.188 -10.369 2.324 694 HD21 LEU 93 3HD2 LEU 93 2.214 -10.821 1.003 695 HD22 LEU 93 1HD2 LEU 93 2.534 -10.076 2.569 696 HD23 LEU 93 2HD2 LEU 93 2.684 -9.123 1.093 697 H ALA 94 H ALA 94 2.113 -8.639 -2.360 698 HA ALA 94 HA ALA 94 -0.047 -8.290 -4.335 699 HB1 ALA 94 3HB ALA 94 1.883 -6.530 -4.249 700 HB2 ALA 94 1HB ALA 94 2.793 -7.782 -5.096 701 HB3 ALA 94 2HB ALA 94 1.306 -7.143 -5.798 702 H SER 95 H SER 95 -0.516 -10.122 -5.340 703 HA SER 95 HA SER 95 1.644 -12.049 -5.863 704 HB2 SER 95 1HB SER 95 0.362 -12.881 -3.955 705 HB3 SER 95 2HB SER 95 -1.138 -12.712 -4.867 706 HG SER 95 HG SER 95 0.847 -14.641 -5.043 707 H ASP 96 H ASP 96 1.843 -12.366 -7.968 708 HA ASP 96 HA ASP 96 -0.093 -11.488 -9.852 709 HB2 ASP 96 1HB ASP 96 1.997 -11.391 -10.786 710 HB3 ASP 96 2HB ASP 96 2.548 -12.852 -9.971 711 H GLY 97 H GLY 97 1.067 -14.753 -8.993 712 HA2 GLY 97 1HA GLY 97 -1.454 -15.956 -8.984 713 HA3 GLY 97 2HA GLY 97 -0.800 -16.129 -10.606 714 H SER 98 H SER 98 -0.983 -17.513 -7.581 715 HA SER 98 HA SER 98 0.075 -19.241 -6.538 716 HB2 SER 98 1HB SER 98 0.542 -19.880 -9.448 717 HB3 SER 98 2HB SER 98 1.070 -20.963 -8.160 718 HG SER 98 HG SER 98 -0.939 -21.647 -8.658 719 H SER 99 H SER 99 1.557 -16.918 -6.493 720 HA SER 99 HA SER 99 4.269 -18.006 -6.406 721 HB2 SER 99 1HB SER 99 3.374 -15.663 -8.033 722 HB3 SER 99 2HB SER 99 4.967 -15.608 -7.279 723 HG SER 99 HG SER 99 5.143 -17.833 -8.300 724 H THR 100 H THR 100 5.634 -17.003 -4.895 725 HA THR 100 HA THR 100 4.544 -16.230 -2.500 726 HB THR 100 HB THR 100 7.233 -15.326 -3.546 727 HG1 THR 100 1HG THR 100 7.850 -17.330 -3.272 728 HG21 THR 100 3HG2 THR 100 6.249 -15.737 -0.720 729 HG22 THR 100 1HG2 THR 100 6.517 -14.176 -1.495 730 HG23 THR 100 2HG2 THR 100 7.878 -15.257 -1.193 731 HA PRO 101 HA PRO 101 3.001 -12.154 -3.412 732 HB2 PRO 101 1HB PRO 101 2.137 -11.610 -0.896 733 HB3 PRO 101 2HB PRO 101 1.258 -12.670 -2.006 734 HG2 PRO 101 1HG PRO 101 3.108 -13.389 0.235 735 HG3 PRO 101 2HG PRO 101 1.554 -14.118 -0.211 736 HD2 PRO 101 1HD PRO 101 3.931 -15.234 -0.873 737 HD3 PRO 101 2HD PRO 101 2.488 -15.381 -1.898 738 H ALA 102 H ALA 102 3.664 -10.044 -3.084 739 HA ALA 102 HA ALA 102 6.200 -9.742 -1.650 740 HB1 ALA 102 3HB ALA 102 6.622 -8.867 -3.698 741 HB2 ALA 102 1HB ALA 102 4.942 -8.403 -3.970 742 HB3 ALA 102 2HB ALA 102 5.975 -7.415 -2.936 743 H ARG 103 H ARG 103 6.192 -8.878 0.310 744 HA ARG 103 HA ARG 103 3.904 -7.247 1.142 745 HB2 ARG 103 1HB ARG 103 4.507 -7.747 3.397 746 HB3 ARG 103 2HB ARG 103 4.585 -9.253 2.493 747 HG2 ARG 103 1HG ARG 103 7.048 -8.923 2.295 748 HG3 ARG 103 2HG ARG 103 6.892 -7.538 3.378 749 HD2 ARG 103 1HD ARG 103 7.562 -9.543 4.598 750 HD3 ARG 103 2HD ARG 103 5.970 -8.986 5.110 751 HE ARG 103 HE ARG 103 6.595 -11.442 3.707 752 HH11 ARG 103 1HH1 ARG 103 4.138 -9.186 4.704 753 HH12 ARG 103 2HH1 ARG 103 2.844 -10.328 4.555 754 HH21 ARG 103 1HH2 ARG 103 4.900 -12.955 3.507 755 HH22 ARG 103 2HH2 ARG 103 3.279 -12.472 3.875 756 H ALA 104 H ALA 104 4.096 -5.155 1.758 757 HA ALA 104 HA ALA 104 6.774 -3.987 1.987 758 HB1 ALA 104 3HB ALA 104 6.245 -3.556 -0.291 759 HB2 ALA 104 1HB ALA 104 4.615 -3.022 0.123 760 HB3 ALA 104 2HB ALA 104 6.009 -2.047 0.591 761 H THR 105 H THR 105 6.877 -2.948 3.856 762 HA THR 105 HA THR 105 4.435 -2.065 5.172 763 HB THR 105 HB THR 105 7.279 -2.022 6.199 764 HG1 THR 105 1HG THR 105 6.883 -3.994 6.997 765 HG21 THR 105 3HG2 THR 105 4.853 -2.021 7.936 766 HG22 THR 105 1HG2 THR 105 5.371 -0.508 7.193 767 HG23 THR 105 2HG2 THR 105 6.467 -1.389 8.258 768 H VAL 106 H VAL 106 3.702 -0.106 4.669 769 HA VAL 106 HA VAL 106 5.587 2.014 3.958 770 HB VAL 106 HB VAL 106 2.573 1.931 3.768 771 HG11 VAL 106 1HG1 VAL 106 3.849 3.963 2.181 772 HG12 VAL 106 2HG1 VAL 106 2.565 4.120 3.382 773 HG13 VAL 106 3HG1 VAL 106 4.255 4.162 3.886 774 HG21 VAL 106 3HG2 VAL 106 4.240 0.568 2.201 775 HG22 VAL 106 1HG2 VAL 106 2.771 1.325 1.585 776 HG23 VAL 106 2HG2 VAL 106 4.328 2.129 1.386 777 H THR 107 H THR 107 6.374 3.063 5.674 778 HA THR 107 HA THR 107 4.835 3.425 8.085 779 HB THR 107 HB THR 107 7.458 4.778 7.490 780 HG1 THR 107 1HG THR 107 7.218 2.279 7.201 781 HG21 THR 107 3HG2 THR 107 6.116 3.803 10.011 782 HG22 THR 107 1HG2 THR 107 6.398 5.477 9.535 783 HG23 THR 107 2HG2 THR 107 7.761 4.434 9.941 784 H ILE 108 H ILE 108 3.175 4.825 7.899 785 HA ILE 108 HA ILE 108 3.626 7.397 6.569 786 HB ILE 108 HB ILE 108 1.045 6.170 7.547 787 HG12 ILE 108 1HG1 ILE 108 1.693 6.612 4.665 788 HG13 ILE 108 2HG1 ILE 108 2.410 5.226 5.480 789 HG21 ILE 108 1HG2 ILE 108 1.712 8.772 6.248 790 HG22 ILE 108 2HG2 ILE 108 0.160 8.005 5.916 791 HG23 ILE 108 3HG2 ILE 108 0.598 8.429 7.571 792 HD11 ILE 108 3HD1 ILE 108 -0.361 5.316 6.108 793 HD12 ILE 108 1HD1 ILE 108 -0.164 5.463 4.362 794 HD13 ILE 108 2HD1 ILE 108 0.538 4.089 5.216 795 H ASN 109 H ASN 109 4.322 8.987 7.831 796 HA ASN 109 HA ASN 109 3.799 8.968 10.681 797 HB2 ASN 109 1HB ASN 109 5.481 10.670 8.859 798 HB3 ASN 109 2HB ASN 109 5.162 11.169 10.518 799 HD21 ASN 109 1HD2 ASN 109 7.486 9.959 8.790 800 HD22 ASN 109 2HD2 ASN 109 8.199 8.830 9.886 801 H VAL 110 H VAL 110 2.814 10.707 11.819 802 HA VAL 110 HA VAL 110 0.957 12.310 10.183 803 HB VAL 110 HB VAL 110 0.413 11.200 12.940 804 HG11 VAL 110 1HG1 VAL 110 -1.936 11.940 12.369 805 HG12 VAL 110 2HG1 VAL 110 -0.776 13.230 12.691 806 HG13 VAL 110 3HG1 VAL 110 -1.230 12.845 11.030 807 HG21 VAL 110 3HG2 VAL 110 -0.769 9.473 12.024 808 HG22 VAL 110 1HG2 VAL 110 -1.132 10.362 10.544 809 HG23 VAL 110 2HG2 VAL 110 0.470 9.664 10.783 810 H THR 111 H THR 111 1.386 14.402 10.304 811 HA THR 111 HA THR 111 2.702 15.448 12.718 812 HB THR 111 HB THR 111 3.455 17.325 11.365 813 HG1 THR 111 1HG THR 111 1.467 16.885 9.863 814 HG21 THR 111 3HG2 THR 111 3.976 14.618 10.142 815 HG22 THR 111 1HG2 THR 111 4.936 15.447 11.366 816 HG23 THR 111 2HG2 THR 111 4.878 16.073 9.718 817 H ASP 112 H ASP 112 2.182 17.914 12.984 818 HA ASP 112 HA ASP 112 -0.717 18.085 13.268 819 HB2 ASP 112 1HB ASP 112 -0.318 19.861 14.832 820 HB3 ASP 112 2HB ASP 112 0.814 18.562 15.200 821 H VAL 113 H VAL 113 -1.766 20.210 12.850 822 HA VAL 113 HA VAL 113 -0.656 21.440 10.411 823 HB VAL 113 HB VAL 113 -3.068 22.031 9.894 824 HG11 VAL 113 1HG1 VAL 113 -2.164 19.158 9.935 825 HG12 VAL 113 2HG1 VAL 113 -3.585 19.726 9.055 826 HG13 VAL 113 3HG1 VAL 113 -1.982 20.328 8.628 827 HG21 VAL 113 3HG2 VAL 113 -4.822 20.791 10.954 828 HG22 VAL 113 1HG2 VAL 113 -3.661 19.870 11.910 829 HG23 VAL 113 2HG2 VAL 113 -3.884 21.593 12.213 830 H ASN 114 H ASN 114 -1.669 21.960 13.618 831 HA ASN 114 HA ASN 114 -2.209 24.790 13.265 832 HB2 ASN 114 1HB ASN 114 -3.029 24.784 15.416 833 HB3 ASN 114 2HB ASN 114 -3.276 23.092 14.991 834 HD21 ASN 114 1HD2 ASN 114 -3.022 24.159 17.613 835 HD22 ASN 114 2HD2 ASN 114 -1.619 23.449 18.328
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