NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14893 | 1x5r | 11206 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 22.350 -7.891 -18.188 2 HA2 GLY 1 1HA GLY 1 20.793 -6.770 -16.805 3 HA3 GLY 1 2HA GLY 1 21.420 -5.568 -17.916 4 H SER 2 H SER 2 20.069 -4.616 -19.471 5 HA SER 2 HA SER 2 17.296 -5.487 -19.277 6 HB2 SER 2 1HB SER 2 17.423 -3.239 -18.522 7 HB3 SER 2 2HB SER 2 18.586 -2.787 -19.753 8 HG SER 2 HG SER 2 15.798 -3.448 -20.195 9 H SER 3 H SER 3 17.548 -7.149 -20.926 10 HA SER 3 HA SER 3 18.474 -6.284 -23.496 11 HB2 SER 3 1HB SER 3 18.587 -8.685 -22.183 12 HB3 SER 3 2HB SER 3 17.175 -8.957 -23.185 13 HG SER 3 HG SER 3 19.722 -8.013 -24.194 14 H GLY 4 H GLY 4 17.161 -5.640 -25.188 15 HA2 GLY 4 1HA GLY 4 14.400 -5.173 -24.719 16 HA3 GLY 4 2HA GLY 4 15.280 -4.943 -26.217 17 H SER 5 H SER 5 12.563 -6.129 -25.737 18 HA SER 5 HA SER 5 13.104 -8.619 -27.126 19 HB2 SER 5 1HB SER 5 12.203 -8.531 -24.472 20 HB3 SER 5 2HB SER 5 10.729 -8.768 -25.389 21 HG SER 5 HG SER 5 12.164 -10.715 -24.689 22 H SER 6 H SER 6 11.199 -9.356 -28.450 23 HA SER 6 HA SER 6 8.914 -7.819 -28.672 24 HB2 SER 6 1HB SER 6 9.258 -6.490 -30.626 25 HB3 SER 6 2HB SER 6 10.630 -6.156 -29.587 26 HG SER 6 HG SER 6 11.344 -6.527 -31.750 27 H GLY 7 H GLY 7 7.616 -8.497 -30.692 28 HA2 GLY 7 1HA GLY 7 8.181 -10.240 -32.610 29 HA3 GLY 7 2HA GLY 7 8.177 -11.308 -31.221 30 H GLY 8 H GLY 8 6.183 -11.154 -29.726 31 HA2 GLY 8 1HA GLY 8 3.772 -10.100 -30.907 32 HA3 GLY 8 2HA GLY 8 3.893 -11.847 -30.993 33 H GLY 9 H GLY 9 2.269 -12.361 -29.487 34 HA2 GLY 9 1HA GLY 9 2.212 -13.113 -27.184 35 HA3 GLY 9 2HA GLY 9 2.868 -11.561 -26.702 36 H GLN 10 H GLN 10 1.182 -10.789 -25.416 37 HA GLN 10 HA GLN 10 -1.087 -9.865 -26.870 38 HB2 GLN 10 1HB GLN 10 -1.394 -12.362 -25.751 39 HB3 GLN 10 2HB GLN 10 -1.941 -11.346 -24.432 40 HG2 GLN 10 1HG GLN 10 -3.295 -10.105 -26.391 41 HG3 GLN 10 2HG GLN 10 -3.097 -11.644 -27.206 42 HE21 GLN 10 1HE2 GLN 10 -5.434 -10.204 -26.019 43 HE22 GLN 10 2HE2 GLN 10 -6.214 -11.338 -24.967 44 H ILE 11 H ILE 11 -2.484 -8.409 -25.441 45 HA ILE 11 HA ILE 11 -0.749 -6.815 -23.846 46 HB ILE 11 HB ILE 11 -2.747 -5.410 -23.559 47 HG12 ILE 11 1HG1 ILE 11 -4.594 -6.452 -25.364 48 HG13 ILE 11 2HG1 ILE 11 -4.107 -7.848 -24.423 49 HG21 ILE 11 1HG2 ILE 11 -2.701 -4.548 -25.705 50 HG22 ILE 11 2HG2 ILE 11 -1.182 -5.475 -25.635 51 HG23 ILE 11 3HG2 ILE 11 -2.602 -6.155 -26.466 52 HD11 ILE 11 1HD1 ILE 11 -6.051 -6.209 -23.581 53 HD12 ILE 11 2HD1 ILE 11 -4.937 -6.983 -22.429 54 HD13 ILE 11 3HD1 ILE 11 -4.670 -5.296 -22.928 55 H VAL 12 H VAL 12 -1.019 -6.287 -21.577 56 HA VAL 12 HA VAL 12 -1.260 -8.508 -19.959 57 HB VAL 12 HB VAL 12 -1.389 -6.810 -18.118 58 HG11 VAL 12 1HG1 VAL 12 0.867 -5.949 -18.485 59 HG12 VAL 12 2HG1 VAL 12 0.752 -7.641 -19.027 60 HG13 VAL 12 3HG1 VAL 12 0.747 -6.321 -20.222 61 HG21 VAL 12 1HG2 VAL 12 -1.190 -4.772 -20.356 62 HG22 VAL 12 2HG2 VAL 12 -2.684 -5.120 -19.454 63 HG23 VAL 12 3HG2 VAL 12 -1.265 -4.462 -18.605 64 H HIS 13 H HIS 13 -2.916 -9.475 -18.807 65 HA HIS 13 HA HIS 13 -5.536 -8.941 -19.743 66 HB2 HIS 13 1HB HIS 13 -6.178 -10.851 -18.537 67 HB3 HIS 13 2HB HIS 13 -4.561 -11.191 -19.121 68 HD1 HIS 13 1HD HIS 13 -2.605 -10.442 -17.169 69 HD2 HIS 13 2HD HIS 13 -6.461 -11.515 -15.913 70 HE1 HIS 13 1HE HIS 13 -2.403 -11.085 -14.708 71 H THR 14 H THR 14 -3.533 -7.680 -17.204 72 HA THR 14 HA THR 14 -5.883 -6.294 -16.117 73 HB THR 14 HB THR 14 -3.610 -7.243 -14.336 74 HG1 THR 14 1HG THR 14 -6.054 -8.593 -15.247 75 HG21 THR 14 1HG2 THR 14 -5.028 -6.103 -12.905 76 HG22 THR 14 2HG2 THR 14 -6.393 -6.188 -14.044 77 HG23 THR 14 3HG2 THR 14 -6.006 -7.586 -13.012 78 H GLU 15 H GLU 15 -5.354 -4.240 -15.033 79 HA GLU 15 HA GLU 15 -3.056 -3.077 -16.384 80 HB2 GLU 15 1HB GLU 15 -5.720 -1.988 -15.470 81 HB3 GLU 15 2HB GLU 15 -4.366 -0.887 -15.623 82 HG2 GLU 15 1HG GLU 15 -4.601 -2.695 -17.946 83 HG3 GLU 15 2HG GLU 15 -6.049 -1.738 -17.703 84 H THR 16 H THR 16 -2.201 -1.012 -15.038 85 HA THR 16 HA THR 16 -2.282 -1.372 -12.190 86 HB THR 16 HB THR 16 0.283 -1.735 -12.150 87 HG1 THR 16 1HG THR 16 1.049 -1.659 -14.227 88 HG21 THR 16 1HG2 THR 16 -1.495 -3.626 -11.849 89 HG22 THR 16 2HG2 THR 16 -1.176 -4.015 -13.557 90 HG23 THR 16 3HG2 THR 16 0.136 -4.125 -12.359 91 H THR 17 H THR 17 -0.997 0.313 -11.052 92 HA THR 17 HA THR 17 -0.375 2.589 -12.791 93 HB THR 17 HB THR 17 -2.807 2.583 -11.809 94 HG1 THR 17 1HG THR 17 -0.796 4.633 -11.187 95 HG21 THR 17 1HG2 THR 17 -2.886 3.609 -9.516 96 HG22 THR 17 2HG2 THR 17 -2.247 1.948 -9.467 97 HG23 THR 17 3HG2 THR 17 -1.135 3.334 -9.352 98 H GLU 18 H GLU 18 1.388 3.762 -12.194 99 HA GLU 18 HA GLU 18 2.794 2.677 -9.911 100 HB2 GLU 18 1HB GLU 18 3.892 2.857 -12.191 101 HB3 GLU 18 2HB GLU 18 3.805 4.601 -12.050 102 HG2 GLU 18 1HG GLU 18 5.225 4.575 -10.049 103 HG3 GLU 18 2HG GLU 18 5.183 2.824 -9.984 104 H VAL 19 H VAL 19 2.689 3.720 -7.974 105 HA VAL 19 HA VAL 19 1.944 6.552 -8.031 106 HB VAL 19 HB VAL 19 1.693 4.374 -5.959 107 HG11 VAL 19 1HG1 VAL 19 0.398 6.447 -4.810 108 HG12 VAL 19 2HG1 VAL 19 2.096 6.039 -4.466 109 HG13 VAL 19 3HG1 VAL 19 1.710 7.329 -5.630 110 HG21 VAL 19 1HG2 VAL 19 -0.666 4.684 -6.188 111 HG22 VAL 19 2HG2 VAL 19 -0.444 6.140 -7.187 112 HG23 VAL 19 3HG2 VAL 19 0.006 4.542 -7.830 113 H VAL 20 H VAL 20 3.663 7.905 -7.971 114 HA VAL 20 HA VAL 20 6.065 6.983 -6.598 115 HB VAL 20 HB VAL 20 5.486 9.244 -8.515 116 HG11 VAL 20 1HG1 VAL 20 8.074 8.559 -7.084 117 HG12 VAL 20 2HG1 VAL 20 7.947 9.662 -8.475 118 HG13 VAL 20 3HG1 VAL 20 7.130 10.062 -6.945 119 HG21 VAL 20 1HG2 VAL 20 6.428 6.486 -8.782 120 HG22 VAL 20 2HG2 VAL 20 5.825 7.616 -10.018 121 HG23 VAL 20 3HG2 VAL 20 7.534 7.666 -9.525 122 H LEU 21 H LEU 21 6.203 7.441 -4.465 123 HA LEU 21 HA LEU 21 4.954 9.943 -3.573 124 HB2 LEU 21 1HB LEU 21 5.547 7.404 -2.046 125 HB3 LEU 21 2HB LEU 21 4.896 8.874 -1.347 126 HG LEU 21 HG LEU 21 3.575 6.922 -3.216 127 HD11 LEU 21 1HD1 LEU 21 1.824 6.916 -1.545 128 HD12 LEU 21 2HD1 LEU 21 3.397 6.601 -0.773 129 HD13 LEU 21 3HD1 LEU 21 2.643 8.207 -0.635 130 HD21 LEU 21 1HD2 LEU 21 3.053 8.898 -4.357 131 HD22 LEU 21 2HD2 LEU 21 1.654 8.617 -3.293 132 HD23 LEU 21 3HD2 LEU 21 2.877 9.833 -2.853 133 H CYS 22 H CYS 22 6.131 11.314 -2.116 134 HA CYS 22 HA CYS 22 8.975 10.673 -1.937 135 HB2 CYS 22 1HB CYS 22 9.018 12.165 -3.748 136 HB3 CYS 22 2HB CYS 22 7.742 13.171 -3.090 137 HG CYS 22 HG CYS 22 9.105 14.715 -1.929 138 H GLY 23 H GLY 23 9.974 11.524 -0.002 139 HA2 GLY 23 1HA GLY 23 8.769 13.337 1.755 140 HA3 GLY 23 2HA GLY 23 8.283 11.724 2.238 141 H ASP 24 H ASP 24 9.714 12.905 4.128 142 HA ASP 24 HA ASP 24 12.508 12.451 3.668 143 HB2 ASP 24 1HB ASP 24 11.556 13.008 6.434 144 HB3 ASP 24 2HB ASP 24 12.847 13.772 5.528 145 HA PRO 25 HA PRO 25 12.576 8.626 5.816 146 HB2 PRO 25 1HB PRO 25 14.907 8.676 7.241 147 HB3 PRO 25 2HB PRO 25 14.842 8.346 5.521 148 HG2 PRO 25 1HG PRO 25 15.709 10.811 6.905 149 HG3 PRO 25 2HG PRO 25 16.028 10.307 5.257 150 HD2 PRO 25 1HD PRO 25 14.126 12.276 6.112 151 HD3 PRO 25 2HD PRO 25 14.364 11.689 4.478 152 H LEU 26 H LEU 26 12.454 11.473 7.629 153 HA LEU 26 HA LEU 26 11.980 10.002 10.089 154 HB2 LEU 26 1HB LEU 26 12.739 12.727 9.331 155 HB3 LEU 26 2HB LEU 26 11.534 12.669 10.602 156 HG LEU 26 HG LEU 26 14.180 11.195 10.692 157 HD11 LEU 26 1HD1 LEU 26 15.192 12.953 11.679 158 HD12 LEU 26 2HD1 LEU 26 13.976 13.884 10.771 159 HD13 LEU 26 3HD1 LEU 26 13.705 13.502 12.488 160 HD21 LEU 26 1HD2 LEU 26 11.843 11.391 12.541 161 HD22 LEU 26 2HD2 LEU 26 12.909 10.013 12.175 162 HD23 LEU 26 3HD2 LEU 26 13.478 11.319 13.242 163 H SER 27 H SER 27 10.282 12.435 7.989 164 HA SER 27 HA SER 27 7.843 11.946 9.336 165 HB2 SER 27 1HB SER 27 8.887 13.905 7.564 166 HB3 SER 27 2HB SER 27 7.531 13.192 6.714 167 HG SER 27 HG SER 27 6.138 13.729 8.434 168 H GLY 28 H GLY 28 9.638 10.290 6.931 169 HA2 GLY 28 1HA GLY 28 9.179 8.526 5.618 170 HA3 GLY 28 2HA GLY 28 7.724 8.282 6.563 171 H PHE 29 H PHE 29 5.973 8.116 5.233 172 HA PHE 29 HA PHE 29 5.801 10.083 3.060 173 HB2 PHE 29 1HB PHE 29 5.113 7.103 3.279 174 HB3 PHE 29 2HB PHE 29 4.382 8.092 2.030 175 HD1 PHE 29 1HD PHE 29 6.679 9.817 1.271 176 HD2 PHE 29 2HD PHE 29 6.509 5.658 2.100 177 HE1 PHE 29 1HE PHE 29 8.681 9.442 -0.197 178 HE2 PHE 29 2HE PHE 29 8.510 5.284 0.632 179 HZ PHE 29 HZ PHE 29 9.572 7.180 -0.499 180 H GLY 30 H GLY 30 3.411 7.591 4.020 181 HA2 GLY 30 1HA GLY 30 1.811 8.603 5.831 182 HA3 GLY 30 2HA GLY 30 1.483 9.734 4.533 183 H LEU 31 H LEU 31 1.740 6.158 5.132 184 HA LEU 31 HA LEU 31 -0.840 5.734 4.028 185 HB2 LEU 31 1HB LEU 31 -0.398 4.744 2.014 186 HB3 LEU 31 2HB LEU 31 0.712 6.100 2.015 187 HG LEU 31 HG LEU 31 2.176 3.980 3.134 188 HD11 LEU 31 1HD1 LEU 31 1.884 2.074 1.860 189 HD12 LEU 31 2HD1 LEU 31 0.206 2.603 2.132 190 HD13 LEU 31 3HD1 LEU 31 1.002 2.934 0.574 191 HD21 LEU 31 1HD2 LEU 31 3.177 4.069 0.670 192 HD22 LEU 31 2HD2 LEU 31 2.168 5.533 0.589 193 HD23 LEU 31 3HD2 LEU 31 3.420 5.384 1.845 194 H GLN 32 H GLN 32 -1.629 3.646 4.556 195 HA GLN 32 HA GLN 32 0.275 2.088 6.126 196 HB2 GLN 32 1HB GLN 32 -2.459 3.081 6.785 197 HB3 GLN 32 2HB GLN 32 -2.145 1.417 7.233 198 HG2 GLN 32 1HG GLN 32 -0.127 3.578 7.917 199 HG3 GLN 32 2HG GLN 32 -1.541 3.349 8.927 200 HE21 GLN 32 1HE2 GLN 32 1.516 2.138 7.930 201 HE22 GLN 32 2HE2 GLN 32 1.630 0.775 8.993 202 H LEU 33 H LEU 33 0.371 -0.119 5.701 203 HA LEU 33 HA LEU 33 -1.236 -1.000 3.442 204 HB2 LEU 33 1HB LEU 33 1.262 -2.029 4.772 205 HB3 LEU 33 2HB LEU 33 0.375 -2.977 3.595 206 HG LEU 33 HG LEU 33 1.742 -0.314 3.150 207 HD11 LEU 33 1HD1 LEU 33 2.292 -3.142 2.263 208 HD12 LEU 33 2HD1 LEU 33 2.937 -1.738 1.380 209 HD13 LEU 33 3HD1 LEU 33 3.370 -1.990 3.088 210 HD21 LEU 33 1HD2 LEU 33 -0.278 -0.187 1.894 211 HD22 LEU 33 2HD2 LEU 33 1.028 -0.595 0.756 212 HD23 LEU 33 3HD2 LEU 33 -0.097 -1.859 1.309 213 H GLN 34 H GLN 34 -2.367 -3.073 3.487 214 HA GLN 34 HA GLN 34 -3.026 -3.881 6.208 215 HB2 GLN 34 1HB GLN 34 -4.926 -2.601 5.532 216 HB3 GLN 34 2HB GLN 34 -4.903 -3.256 3.906 217 HG2 GLN 34 1HG GLN 34 -5.301 -5.581 5.086 218 HG3 GLN 34 2HG GLN 34 -5.779 -4.622 6.473 219 HE21 GLN 34 1HE2 GLN 34 -7.451 -6.374 5.056 220 HE22 GLN 34 2HE2 GLN 34 -8.738 -5.477 4.320 221 H GLY 35 H GLY 35 -2.699 -6.040 6.551 222 HA2 GLY 35 1HA GLY 35 -3.255 -7.969 4.482 223 HA3 GLY 35 2HA GLY 35 -1.545 -7.760 4.804 224 H GLY 36 H GLY 36 -1.379 -9.929 5.658 225 HA2 GLY 36 1HA GLY 36 -2.928 -11.140 7.543 226 HA3 GLY 36 2HA GLY 36 -1.195 -11.352 7.396 227 H ILE 37 H ILE 37 -2.656 -11.448 9.889 228 HA ILE 37 HA ILE 37 -2.433 -8.954 11.219 229 HB ILE 37 HB ILE 37 -2.794 -11.786 12.193 230 HG12 ILE 37 1HG1 ILE 37 -5.082 -10.307 12.722 231 HG13 ILE 37 2HG1 ILE 37 -4.583 -9.714 11.150 232 HG21 ILE 37 1HG2 ILE 37 -3.663 -9.804 14.083 233 HG22 ILE 37 2HG2 ILE 37 -2.501 -11.136 14.292 234 HG23 ILE 37 3HG2 ILE 37 -1.943 -9.554 13.698 235 HD11 ILE 37 1HD1 ILE 37 -4.870 -11.777 10.113 236 HD12 ILE 37 2HD1 ILE 37 -4.506 -12.691 11.596 237 HD13 ILE 37 3HD1 ILE 37 -6.095 -11.913 11.397 238 H PHE 38 H PHE 38 -0.428 -11.966 11.100 239 HA PHE 38 HA PHE 38 1.560 -10.795 12.790 240 HB2 PHE 38 1HB PHE 38 1.008 -13.331 11.236 241 HB3 PHE 38 2HB PHE 38 2.696 -13.003 11.574 242 HD1 PHE 38 1HD PHE 38 -0.599 -13.173 13.317 243 HD2 PHE 38 2HD PHE 38 3.599 -13.738 13.574 244 HE1 PHE 38 1HE PHE 38 -0.870 -14.142 15.616 245 HE2 PHE 38 2HE PHE 38 3.328 -14.708 15.873 246 HZ PHE 38 HZ PHE 38 1.096 -14.898 16.867 247 H ALA 39 H ALA 39 3.797 -10.367 12.161 248 HA ALA 39 HA ALA 39 3.902 -9.224 9.488 249 HB1 ALA 39 1HB ALA 39 4.775 -7.619 10.847 250 HB2 ALA 39 2HB ALA 39 5.209 -8.786 12.118 251 HB3 ALA 39 3HB ALA 39 6.266 -8.579 10.702 252 H THR 40 H THR 40 5.818 -11.439 11.638 253 HA THR 40 HA THR 40 7.570 -12.214 9.544 254 HB THR 40 HB THR 40 8.275 -13.904 11.272 255 HG1 THR 40 1HG THR 40 6.814 -14.270 12.932 256 HG21 THR 40 1HG2 THR 40 8.047 -11.962 13.289 257 HG22 THR 40 2HG2 THR 40 9.395 -12.093 12.133 258 HG23 THR 40 3HG2 THR 40 8.031 -11.001 11.791 259 H GLU 41 H GLU 41 6.001 -12.620 7.813 260 HA GLU 41 HA GLU 41 5.651 -15.324 7.464 261 HB2 GLU 41 1HB GLU 41 3.102 -15.409 7.475 262 HB3 GLU 41 2HB GLU 41 3.861 -15.354 9.054 263 HG2 GLU 41 1HG GLU 41 2.934 -13.330 9.555 264 HG3 GLU 41 2HG GLU 41 3.358 -12.652 7.995 265 H THR 42 H THR 42 5.280 -15.739 5.266 266 HA THR 42 HA THR 42 5.524 -13.587 3.494 267 HB THR 42 HB THR 42 4.695 -16.515 3.150 268 HG1 THR 42 1HG THR 42 6.960 -16.677 2.863 269 HG21 THR 42 1HG2 THR 42 4.082 -15.059 1.141 270 HG22 THR 42 2HG2 THR 42 5.789 -14.562 1.061 271 HG23 THR 42 3HG2 THR 42 5.345 -16.266 0.800 272 H LEU 43 H LEU 43 4.006 -13.069 1.669 273 HA LEU 43 HA LEU 43 1.285 -12.928 2.764 274 HB2 LEU 43 1HB LEU 43 2.881 -10.995 1.096 275 HB3 LEU 43 2HB LEU 43 1.135 -10.903 1.216 276 HG LEU 43 HG LEU 43 3.025 -10.756 3.580 277 HD11 LEU 43 1HD1 LEU 43 3.511 -8.747 2.651 278 HD12 LEU 43 2HD1 LEU 43 1.993 -8.677 1.723 279 HD13 LEU 43 3HD1 LEU 43 1.993 -8.287 3.459 280 HD21 LEU 43 1HD2 LEU 43 0.313 -11.365 3.527 281 HD22 LEU 43 2HD2 LEU 43 1.255 -10.802 4.928 282 HD23 LEU 43 3HD2 LEU 43 0.364 -9.631 3.926 283 H SER 44 H SER 44 -0.181 -14.176 1.746 284 HA SER 44 HA SER 44 0.558 -15.410 -0.700 285 HB2 SER 44 1HB SER 44 -1.903 -15.514 1.078 286 HB3 SER 44 2HB SER 44 -1.873 -16.333 -0.471 287 HG SER 44 HG SER 44 0.423 -16.878 0.981 288 H SER 45 H SER 45 -1.239 -12.568 0.321 289 HA SER 45 HA SER 45 -1.934 -12.134 -2.468 290 HB2 SER 45 1HB SER 45 -4.152 -11.732 -2.052 291 HB3 SER 45 2HB SER 45 -3.869 -12.796 -0.689 292 HG SER 45 HG SER 45 -3.409 -10.849 0.608 293 HA PRO 46 HA PRO 46 -0.369 -8.143 -1.715 294 HB2 PRO 46 1HB PRO 46 -1.868 -6.519 -3.322 295 HB3 PRO 46 2HB PRO 46 -0.560 -7.519 -3.923 296 HG2 PRO 46 1HG PRO 46 -3.477 -7.930 -4.180 297 HG3 PRO 46 2HG PRO 46 -2.180 -8.656 -5.108 298 HD2 PRO 46 1HD PRO 46 -3.693 -9.899 -3.012 299 HD3 PRO 46 2HD PRO 46 -2.321 -10.583 -3.861 300 HA PRO 47 HA PRO 47 -2.580 -6.331 1.439 301 HB2 PRO 47 1HB PRO 47 -0.810 -4.388 2.184 302 HB3 PRO 47 2HB PRO 47 -0.696 -6.048 2.732 303 HG2 PRO 47 1HG PRO 47 0.943 -4.649 0.709 304 HG3 PRO 47 2HG PRO 47 1.293 -6.135 1.568 305 HD2 PRO 47 1HD PRO 47 0.406 -5.891 -1.149 306 HD3 PRO 47 2HD PRO 47 0.645 -7.379 -0.254 307 H LEU 48 H LEU 48 -4.046 -4.697 1.887 308 HA LEU 48 HA LEU 48 -4.299 -2.892 -0.393 309 HB2 LEU 48 1HB LEU 48 -6.333 -3.268 1.781 310 HB3 LEU 48 2HB LEU 48 -6.562 -2.704 0.138 311 HG LEU 48 HG LEU 48 -5.508 -5.440 0.269 312 HD11 LEU 48 1HD1 LEU 48 -7.950 -4.711 1.823 313 HD12 LEU 48 2HD1 LEU 48 -7.973 -6.211 0.865 314 HD13 LEU 48 3HD1 LEU 48 -6.731 -5.975 2.118 315 HD21 LEU 48 1HD2 LEU 48 -6.717 -5.715 -1.619 316 HD22 LEU 48 2HD2 LEU 48 -8.119 -4.817 -0.990 317 HD23 LEU 48 3HD2 LEU 48 -6.705 -3.935 -1.616 318 H VAL 49 H VAL 49 -5.117 -0.608 0.178 319 HA VAL 49 HA VAL 49 -3.190 0.529 1.939 320 HB VAL 49 HB VAL 49 -5.426 1.574 0.218 321 HG11 VAL 49 1HG1 VAL 49 -4.291 2.877 2.535 322 HG12 VAL 49 2HG1 VAL 49 -3.859 3.766 1.054 323 HG13 VAL 49 3HG1 VAL 49 -5.568 3.441 1.430 324 HG21 VAL 49 1HG2 VAL 49 -2.434 1.447 0.079 325 HG22 VAL 49 2HG2 VAL 49 -3.652 1.134 -1.180 326 HG23 VAL 49 3HG2 VAL 49 -3.273 2.807 -0.707 327 H CYS 50 H CYS 50 -3.718 -0.507 3.979 328 HA CYS 50 HA CYS 50 -6.082 -0.678 5.205 329 HB2 CYS 50 1HB CYS 50 -3.614 -1.181 6.016 330 HB3 CYS 50 2HB CYS 50 -3.780 0.363 6.829 331 HG CYS 50 HG CYS 50 -4.844 -2.489 7.552 332 H PHE 51 H PHE 51 -3.857 2.205 5.387 333 HA PHE 51 HA PHE 51 -6.172 3.934 5.382 334 HB2 PHE 51 1HB PHE 51 -5.970 3.617 7.764 335 HB3 PHE 51 2HB PHE 51 -4.228 3.446 7.680 336 HD1 PHE 51 2HD PHE 51 -2.787 5.409 7.594 337 HD2 PHE 51 1HD PHE 51 -7.004 5.815 7.828 338 HE1 PHE 51 2HE PHE 51 -2.519 7.821 8.234 339 HE2 PHE 51 1HE PHE 51 -6.736 8.227 8.469 340 HZ PHE 51 HZ PHE 51 -4.497 9.201 8.664 341 H ILE 52 H ILE 52 -5.414 6.327 5.397 342 HA ILE 52 HA ILE 52 -2.719 6.565 4.295 343 HB ILE 52 HB ILE 52 -5.294 7.298 2.943 344 HG12 ILE 52 1HG1 ILE 52 -2.791 6.130 1.728 345 HG13 ILE 52 2HG1 ILE 52 -3.958 5.118 2.555 346 HG21 ILE 52 1HG2 ILE 52 -4.085 9.377 2.991 347 HG22 ILE 52 2HG2 ILE 52 -2.585 8.570 2.474 348 HG23 ILE 52 3HG2 ILE 52 -3.968 8.679 1.357 349 HD11 ILE 52 1HD1 ILE 52 -5.692 5.619 1.004 350 HD12 ILE 52 2HD1 ILE 52 -4.848 7.066 0.400 351 HD13 ILE 52 3HD1 ILE 52 -4.240 5.444 -0.011 352 H GLU 53 H GLU 53 -1.734 8.602 4.671 353 HA GLU 53 HA GLU 53 -2.894 9.945 6.905 354 HB2 GLU 53 1HB GLU 53 -0.247 9.892 5.520 355 HB3 GLU 53 2HB GLU 53 -0.650 11.394 6.326 356 HG2 GLU 53 1HG GLU 53 -1.411 9.471 8.208 357 HG3 GLU 53 2HG GLU 53 0.019 8.756 7.491 358 HA PRO 54 HA PRO 54 -4.658 13.152 4.555 359 HB2 PRO 54 1HB PRO 54 -5.217 14.930 6.554 360 HB3 PRO 54 2HB PRO 54 -6.241 13.560 6.176 361 HG2 PRO 54 1HG PRO 54 -4.377 13.911 8.444 362 HG3 PRO 54 2HG PRO 54 -5.697 12.771 8.274 363 HD2 PRO 54 1HD PRO 54 -2.897 12.211 7.994 364 HD3 PRO 54 2HD PRO 54 -4.222 11.099 7.711 365 H ASP 55 H ASP 55 -3.942 14.702 3.217 366 HA ASP 55 HA ASP 55 -2.729 16.371 2.524 367 HB2 ASP 55 1HB ASP 55 -2.771 16.828 5.355 368 HB3 ASP 55 2HB ASP 55 -1.118 17.089 4.837 369 H SER 56 H SER 56 -1.744 13.443 3.376 370 HA SER 56 HA SER 56 1.076 13.845 3.551 371 HB2 SER 56 1HB SER 56 1.122 11.684 4.267 372 HB3 SER 56 2HB SER 56 -0.618 11.851 4.388 373 HG SER 56 HG SER 56 -0.778 10.323 2.910 374 HA PRO 57 HA PRO 57 2.032 13.132 -0.649 375 HB2 PRO 57 1HB PRO 57 3.937 11.175 -0.737 376 HB3 PRO 57 2HB PRO 57 4.286 12.833 -0.289 377 HG2 PRO 57 1HG PRO 57 4.078 10.449 1.446 378 HG3 PRO 57 2HG PRO 57 4.826 11.995 1.791 379 HD2 PRO 57 1HD PRO 57 2.283 11.070 2.742 380 HD3 PRO 57 2HD PRO 57 2.980 12.659 2.990 381 H ALA 58 H ALA 58 1.412 10.056 0.913 382 HA ALA 58 HA ALA 58 0.819 8.684 -1.459 383 HB1 ALA 58 1HB ALA 58 1.129 8.070 1.210 384 HB2 ALA 58 2HB ALA 58 -0.624 7.859 0.985 385 HB3 ALA 58 3HB ALA 58 0.519 6.948 -0.030 386 H GLU 59 H GLU 59 -0.982 10.968 0.563 387 HA GLU 59 HA GLU 59 -3.480 10.227 -0.600 388 HB2 GLU 59 1HB GLU 59 -3.110 11.155 1.772 389 HB3 GLU 59 2HB GLU 59 -2.864 12.723 1.030 390 HG2 GLU 59 1HG GLU 59 -5.148 12.862 1.394 391 HG3 GLU 59 2HG GLU 59 -5.177 12.133 -0.199 392 H ARG 60 H ARG 60 -0.973 12.759 -1.001 393 HA ARG 60 HA ARG 60 -2.371 14.516 -2.528 394 HB2 ARG 60 1HB ARG 60 0.550 13.686 -2.465 395 HB3 ARG 60 2HB ARG 60 0.018 14.875 -3.636 396 HG2 ARG 60 1HG ARG 60 -1.170 15.746 -1.241 397 HG3 ARG 60 2HG ARG 60 0.399 15.158 -0.725 398 HD2 ARG 60 1HD ARG 60 1.578 16.723 -2.041 399 HD3 ARG 60 2HD ARG 60 0.261 16.919 -3.181 400 HE ARG 60 HE ARG 60 -0.783 17.852 -0.767 401 HH11 ARG 60 2HH2 ARG 60 2.014 18.646 -2.750 402 HH12 ARG 60 1HH2 ARG 60 2.054 20.305 -2.255 403 HH21 ARG 60 2HH1 ARG 60 -0.730 20.041 -0.113 404 HH22 ARG 60 1HH1 ARG 60 0.483 21.104 -0.745 405 H CYS 61 H CYS 61 -1.065 11.317 -3.333 406 HA CYS 61 HA CYS 61 -0.989 11.590 -6.104 407 HB2 CYS 61 1HB CYS 61 -0.378 9.597 -4.267 408 HB3 CYS 61 2HB CYS 61 -1.717 8.909 -5.164 409 HG CYS 61 HG CYS 61 -0.604 8.443 -7.210 410 H GLY 62 H GLY 62 -3.587 11.131 -3.736 411 HA2 GLY 62 1HA GLY 62 -5.826 11.216 -3.960 412 HA3 GLY 62 2HA GLY 62 -5.610 11.749 -5.616 413 H LEU 63 H LEU 63 -4.551 9.793 -7.064 414 HA LEU 63 HA LEU 63 -6.523 8.011 -7.539 415 HB2 LEU 63 1HB LEU 63 -5.176 7.584 -9.221 416 HB3 LEU 63 2HB LEU 63 -3.908 8.507 -8.440 417 HG LEU 63 HG LEU 63 -3.359 6.317 -7.173 418 HD11 LEU 63 1HD1 LEU 63 -4.455 4.841 -9.506 419 HD12 LEU 63 2HD1 LEU 63 -4.229 4.328 -7.817 420 HD13 LEU 63 3HD1 LEU 63 -5.615 5.354 -8.257 421 HD21 LEU 63 1HD2 LEU 63 -1.937 5.534 -9.038 422 HD22 LEU 63 2HD2 LEU 63 -2.828 6.608 -10.143 423 HD23 LEU 63 3HD2 LEU 63 -1.872 7.298 -8.809 424 H LEU 64 H LEU 64 -3.908 7.790 -5.108 425 HA LEU 64 HA LEU 64 -4.562 5.084 -4.444 426 HB2 LEU 64 1HB LEU 64 -2.295 5.970 -4.262 427 HB3 LEU 64 2HB LEU 64 -2.826 7.141 -3.071 428 HG LEU 64 HG LEU 64 -3.644 4.722 -1.978 429 HD11 LEU 64 1HD1 LEU 64 -2.318 3.569 -3.760 430 HD12 LEU 64 2HD1 LEU 64 -0.853 4.317 -3.080 431 HD13 LEU 64 3HD1 LEU 64 -1.814 3.187 -2.096 432 HD21 LEU 64 1HD2 LEU 64 -2.414 6.851 -1.060 433 HD22 LEU 64 2HD2 LEU 64 -2.265 5.284 -0.228 434 HD23 LEU 64 3HD2 LEU 64 -0.957 5.855 -1.291 435 H GLN 65 H GLN 65 -5.690 4.325 -2.612 436 HA GLN 65 HA GLN 65 -6.686 6.069 -0.677 437 HB2 GLN 65 1HB GLN 65 -9.087 6.031 -1.235 438 HB3 GLN 65 2HB GLN 65 -8.173 6.829 -2.499 439 HG2 GLN 65 1HG GLN 65 -8.105 4.547 -3.711 440 HG3 GLN 65 2HG GLN 65 -9.281 3.989 -2.537 441 HE21 GLN 65 1HE2 GLN 65 -11.041 3.761 -3.752 442 HE22 GLN 65 2HE2 GLN 65 -11.838 5.020 -4.636 443 H VAL 66 H VAL 66 -8.312 4.866 0.803 444 HA VAL 66 HA VAL 66 -7.271 2.386 1.447 445 HB VAL 66 HB VAL 66 -9.851 3.791 2.126 446 HG11 VAL 66 1HG1 VAL 66 -9.286 1.825 4.090 447 HG12 VAL 66 2HG1 VAL 66 -10.685 1.914 2.993 448 HG13 VAL 66 3HG1 VAL 66 -9.232 1.007 2.510 449 HG21 VAL 66 1HG2 VAL 66 -7.380 3.257 3.806 450 HG22 VAL 66 2HG2 VAL 66 -7.684 4.764 2.910 451 HG23 VAL 66 3HG2 VAL 66 -8.775 4.278 4.229 452 H GLY 67 H GLY 67 -7.672 0.304 0.811 453 HA2 GLY 67 1HA GLY 67 -9.273 -1.329 0.068 454 HA3 GLY 67 2HA GLY 67 -9.979 -0.121 -0.987 455 H ASP 68 H ASP 68 -7.444 1.051 -1.923 456 HA ASP 68 HA ASP 68 -7.044 -0.326 -4.172 457 HB2 ASP 68 1HB ASP 68 -5.196 1.414 -2.514 458 HB3 ASP 68 2HB ASP 68 -4.596 0.692 -3.994 459 H ARG 69 H ARG 69 -4.761 -1.412 -4.817 460 HA ARG 69 HA ARG 69 -4.056 -3.232 -2.656 461 HB2 ARG 69 1HB ARG 69 -4.617 -3.760 -5.590 462 HB3 ARG 69 2HB ARG 69 -3.503 -4.811 -4.739 463 HG2 ARG 69 1HG ARG 69 -5.537 -5.918 -4.376 464 HG3 ARG 69 2HG ARG 69 -5.410 -4.957 -2.916 465 HD2 ARG 69 1HD ARG 69 -7.513 -4.230 -3.468 466 HD3 ARG 69 2HD ARG 69 -6.678 -3.162 -4.579 467 HE ARG 69 HE ARG 69 -6.975 -5.591 -5.965 468 HH11 ARG 69 2HH2 ARG 69 -9.109 -3.209 -4.496 469 HH12 ARG 69 1HH2 ARG 69 -10.415 -3.515 -5.592 470 HH21 ARG 69 2HH1 ARG 69 -8.699 -5.996 -7.411 471 HH22 ARG 69 1HH1 ARG 69 -10.180 -5.111 -7.260 472 H VAL 70 H VAL 70 -1.788 -4.119 -2.815 473 HA VAL 70 HA VAL 70 -0.050 -2.358 -4.397 474 HB VAL 70 HB VAL 70 0.276 -3.258 -1.530 475 HG11 VAL 70 1HG1 VAL 70 2.246 -1.341 -2.491 476 HG12 VAL 70 2HG1 VAL 70 2.479 -2.884 -1.635 477 HG13 VAL 70 3HG1 VAL 70 2.310 -2.865 -3.407 478 HG21 VAL 70 1HG2 VAL 70 0.597 -0.485 -1.727 479 HG22 VAL 70 2HG2 VAL 70 -0.789 -0.857 -2.780 480 HG23 VAL 70 3HG2 VAL 70 -0.809 -1.358 -1.072 481 H LEU 71 H LEU 71 0.285 -3.859 -6.058 482 HA LEU 71 HA LEU 71 0.717 -6.586 -5.591 483 HB2 LEU 71 1HB LEU 71 1.456 -4.805 -7.916 484 HB3 LEU 71 2HB LEU 71 1.599 -6.552 -7.925 485 HG LEU 71 HG LEU 71 -0.924 -4.895 -7.777 486 HD11 LEU 71 1HD1 LEU 71 -0.761 -5.118 -9.991 487 HD12 LEU 71 2HD1 LEU 71 0.503 -6.365 -9.864 488 HD13 LEU 71 3HD1 LEU 71 -1.212 -6.821 -9.733 489 HD21 LEU 71 1HD2 LEU 71 -1.523 -6.536 -6.277 490 HD22 LEU 71 2HD2 LEU 71 -2.011 -7.277 -7.820 491 HD23 LEU 71 3HD2 LEU 71 -0.489 -7.768 -7.038 492 H SER 72 H SER 72 3.108 -4.005 -6.523 493 HA SER 72 HA SER 72 5.009 -5.429 -4.848 494 HB2 SER 72 1HB SER 72 6.781 -5.032 -6.573 495 HB3 SER 72 2HB SER 72 5.528 -6.128 -7.120 496 HG SER 72 HG SER 72 5.043 -3.405 -7.681 497 H ILE 73 H ILE 73 7.075 -3.937 -4.534 498 HA ILE 73 HA ILE 73 6.262 -1.127 -4.547 499 HB ILE 73 HB ILE 73 7.376 -2.629 -2.176 500 HG12 ILE 73 1HG1 ILE 73 4.700 -1.237 -2.465 501 HG13 ILE 73 2HG1 ILE 73 4.929 -2.959 -2.701 502 HG21 ILE 73 1HG2 ILE 73 8.381 -0.587 -1.914 503 HG22 ILE 73 2HG2 ILE 73 7.096 0.288 -2.782 504 HG23 ILE 73 3HG2 ILE 73 6.819 -0.280 -1.118 505 HD11 ILE 73 1HD1 ILE 73 5.996 -3.015 -0.356 506 HD12 ILE 73 2HD1 ILE 73 5.381 -1.357 -0.152 507 HD13 ILE 73 3HD1 ILE 73 4.245 -2.702 -0.417 508 H ASN 74 H ASN 74 7.702 -0.123 -5.842 509 HA ASN 74 HA ASN 74 9.605 0.589 -6.611 510 HB2 ASN 74 1HB ASN 74 11.067 -1.133 -4.545 511 HB3 ASN 74 2HB ASN 74 11.717 0.257 -5.390 512 HD21 ASN 74 1HD2 ASN 74 12.167 1.446 -3.604 513 HD22 ASN 74 2HD2 ASN 74 10.974 2.145 -2.561 514 H GLY 75 H GLY 75 8.361 -2.343 -6.941 515 HA2 GLY 75 1HA GLY 75 8.851 -3.595 -8.915 516 HA3 GLY 75 2HA GLY 75 10.563 -3.351 -8.631 517 H ILE 76 H ILE 76 9.276 -3.794 -5.579 518 HA ILE 76 HA ILE 76 10.019 -6.615 -5.642 519 HB ILE 76 HB ILE 76 9.734 -4.657 -3.361 520 HG12 ILE 76 1HG1 ILE 76 11.646 -4.285 -4.952 521 HG13 ILE 76 2HG1 ILE 76 12.101 -4.570 -3.283 522 HG21 ILE 76 1HG2 ILE 76 9.249 -6.694 -2.362 523 HG22 ILE 76 2HG2 ILE 76 10.343 -7.601 -3.433 524 HG23 ILE 76 3HG2 ILE 76 11.011 -6.562 -2.151 525 HD11 ILE 76 1HD1 ILE 76 13.580 -5.983 -4.438 526 HD12 ILE 76 2HD1 ILE 76 12.262 -7.104 -4.021 527 HD13 ILE 76 3HD1 ILE 76 12.363 -6.421 -5.661 528 H ALA 77 H ALA 77 8.440 -8.106 -5.789 529 HA ALA 77 HA ALA 77 5.725 -7.396 -5.576 530 HB1 ALA 77 1HB ALA 77 5.499 -9.977 -5.633 531 HB2 ALA 77 2HB ALA 77 6.272 -9.181 -7.025 532 HB3 ALA 77 3HB ALA 77 7.271 -9.992 -5.796 533 H THR 78 H THR 78 4.250 -7.589 -3.900 534 HA THR 78 HA THR 78 5.407 -7.904 -1.267 535 HB THR 78 HB THR 78 3.067 -7.163 -0.609 536 HG1 THR 78 1HG THR 78 1.775 -6.578 -2.592 537 HG21 THR 78 1HG2 THR 78 3.235 -4.920 -1.433 538 HG22 THR 78 2HG2 THR 78 4.922 -5.488 -1.408 539 HG23 THR 78 3HG2 THR 78 4.019 -5.448 -2.941 540 H GLU 79 H GLU 79 3.495 -9.777 -3.574 541 HA GLU 79 HA GLU 79 2.525 -11.570 -1.626 542 HB2 GLU 79 1HB GLU 79 2.850 -12.155 -4.592 543 HB3 GLU 79 2HB GLU 79 1.670 -12.834 -3.488 544 HG2 GLU 79 1HG GLU 79 1.069 -10.193 -3.182 545 HG3 GLU 79 2HG GLU 79 1.707 -10.141 -4.813 546 H ASP 80 H ASP 80 5.586 -11.090 -3.187 547 HA ASP 80 HA ASP 80 6.339 -13.840 -2.645 548 HB2 ASP 80 1HB ASP 80 7.472 -11.608 -4.347 549 HB3 ASP 80 2HB ASP 80 8.549 -12.880 -3.804 550 H GLY 81 H GLY 81 5.850 -11.878 -0.488 551 HA2 GLY 81 1HA GLY 81 8.420 -12.033 0.841 552 HA3 GLY 81 2HA GLY 81 7.863 -10.405 0.509 553 H THR 82 H THR 82 7.990 -10.500 3.036 554 HA THR 82 HA THR 82 5.447 -11.556 4.080 555 HB THR 82 HB THR 82 6.664 -11.561 6.266 556 HG1 THR 82 1HG THR 82 8.899 -10.852 6.160 557 HG21 THR 82 1HG2 THR 82 8.616 -13.118 5.612 558 HG22 THR 82 2HG2 THR 82 7.007 -13.643 5.061 559 HG23 THR 82 3HG2 THR 82 8.128 -12.864 3.919 560 H MET 83 H MET 83 4.189 -10.261 5.518 561 HA MET 83 HA MET 83 3.562 -7.849 4.685 562 HB2 MET 83 1HB MET 83 2.791 -9.396 6.773 563 HB3 MET 83 2HB MET 83 3.713 -8.223 7.691 564 HG2 MET 83 1HG MET 83 1.313 -7.681 5.888 565 HG3 MET 83 2HG MET 83 1.416 -7.439 7.621 566 HE1 MET 83 1HE MET 83 1.228 -4.351 5.048 567 HE2 MET 83 2HE MET 83 2.402 -5.290 4.095 568 HE3 MET 83 3HE MET 83 0.944 -6.081 4.739 569 H GLU 84 H GLU 84 5.897 -8.374 7.432 570 HA GLU 84 HA GLU 84 6.550 -5.801 7.877 571 HB2 GLU 84 1HB GLU 84 7.403 -8.175 8.855 572 HB3 GLU 84 2HB GLU 84 8.806 -7.783 7.880 573 HG2 GLU 84 1HG GLU 84 8.407 -5.363 9.095 574 HG3 GLU 84 2HG GLU 84 7.753 -6.419 10.330 575 H GLU 85 H GLU 85 8.279 -8.055 5.599 576 HA GLU 85 HA GLU 85 10.138 -6.395 4.649 577 HB2 GLU 85 1HB GLU 85 8.472 -8.511 3.254 578 HB3 GLU 85 2HB GLU 85 9.733 -7.657 2.387 579 HG2 GLU 85 1HG GLU 85 10.772 -8.504 4.965 580 HG3 GLU 85 2HG GLU 85 10.025 -9.879 4.174 581 H ALA 86 H ALA 86 6.696 -6.590 3.538 582 HA ALA 86 HA ALA 86 6.868 -4.747 1.485 583 HB1 ALA 86 1HB ALA 86 4.824 -6.096 3.072 584 HB2 ALA 86 2HB ALA 86 4.334 -4.436 2.656 585 HB3 ALA 86 3HB ALA 86 4.780 -5.580 1.369 586 H ASN 87 H ASN 87 6.076 -4.248 4.992 587 HA ASN 87 HA ASN 87 5.730 -1.521 4.774 588 HB2 ASN 87 1HB ASN 87 6.354 -3.458 7.002 589 HB3 ASN 87 2HB ASN 87 6.595 -1.757 7.346 590 HD21 ASN 87 1HD2 ASN 87 4.476 -4.190 7.597 591 HD22 ASN 87 2HD2 ASN 87 2.959 -3.353 7.579 592 H GLN 88 H GLN 88 8.600 -3.578 5.616 593 HA GLN 88 HA GLN 88 10.324 -1.504 6.194 594 HB2 GLN 88 1HB GLN 88 10.853 -3.788 6.820 595 HB3 GLN 88 2HB GLN 88 10.821 -4.321 5.151 596 HG2 GLN 88 1HG GLN 88 13.050 -3.914 5.055 597 HG3 GLN 88 2HG GLN 88 12.684 -2.202 5.147 598 HE21 GLN 88 1HE2 GLN 88 13.497 -1.097 6.755 599 HE22 GLN 88 2HE2 GLN 88 14.091 -1.717 8.260 600 H LEU 89 H LEU 89 9.440 -3.090 3.093 601 HA LEU 89 HA LEU 89 11.438 -1.996 1.514 602 HB2 LEU 89 1HB LEU 89 8.640 -2.952 0.978 603 HB3 LEU 89 2HB LEU 89 9.625 -2.278 -0.305 604 HG LEU 89 HG LEU 89 10.623 -4.562 1.396 605 HD11 LEU 89 1HD1 LEU 89 8.534 -5.373 0.575 606 HD12 LEU 89 2HD1 LEU 89 8.851 -4.724 -1.052 607 HD13 LEU 89 3HD1 LEU 89 9.821 -6.080 -0.431 608 HD21 LEU 89 1HD2 LEU 89 11.287 -3.872 -1.471 609 HD22 LEU 89 2HD2 LEU 89 12.177 -3.212 -0.077 610 HD23 LEU 89 3HD2 LEU 89 12.149 -4.969 -0.365 611 H LEU 90 H LEU 90 8.536 -0.574 2.950 612 HA LEU 90 HA LEU 90 8.571 1.708 1.219 613 HB2 LEU 90 1HB LEU 90 6.882 0.584 3.303 614 HB3 LEU 90 2HB LEU 90 7.074 2.316 3.482 615 HG LEU 90 HG LEU 90 5.929 0.799 1.136 616 HD11 LEU 90 1HD1 LEU 90 3.912 1.571 1.773 617 HD12 LEU 90 2HD1 LEU 90 4.698 1.723 3.362 618 HD13 LEU 90 3HD1 LEU 90 4.555 3.144 2.300 619 HD21 LEU 90 1HD2 LEU 90 5.672 3.465 0.480 620 HD22 LEU 90 2HD2 LEU 90 7.332 3.366 1.115 621 HD23 LEU 90 3HD2 LEU 90 6.830 2.315 -0.231 622 H ARG 91 H ARG 91 10.056 0.693 4.265 623 HA ARG 91 HA ARG 91 10.637 3.258 5.180 624 HB2 ARG 91 1HB ARG 91 11.043 0.572 6.042 625 HB3 ARG 91 2HB ARG 91 12.648 1.271 5.962 626 HG2 ARG 91 1HG ARG 91 11.664 3.292 7.267 627 HG3 ARG 91 2HG ARG 91 10.262 2.283 7.562 628 HD2 ARG 91 1HD ARG 91 11.469 0.751 8.901 629 HD3 ARG 91 2HD ARG 91 13.008 1.166 8.174 630 HE ARG 91 HE ARG 91 12.066 3.518 9.432 631 HH11 ARG 91 2HH2 ARG 91 13.037 0.271 10.377 632 HH12 ARG 91 1HH2 ARG 91 13.571 0.751 11.953 633 HH21 ARG 91 2HH1 ARG 91 12.770 4.152 11.511 634 HH22 ARG 91 1HH1 ARG 91 13.418 2.974 12.602 635 H ASP 92 H ASP 92 12.723 0.743 3.559 636 HA ASP 92 HA ASP 92 14.979 2.213 3.343 637 HB2 ASP 92 1HB ASP 92 14.549 -0.227 2.669 638 HB3 ASP 92 2HB ASP 92 13.893 0.376 1.160 639 H ALA 93 H ALA 93 12.029 2.161 1.266 640 HA ALA 93 HA ALA 93 13.019 3.703 -0.839 641 HB1 ALA 93 1HB ALA 93 10.149 3.740 0.128 642 HB2 ALA 93 2HB ALA 93 10.768 3.798 -1.540 643 HB3 ALA 93 3HB ALA 93 10.857 2.283 -0.609 644 H ALA 94 H ALA 94 11.399 4.579 2.269 645 HA ALA 94 HA ALA 94 11.110 7.285 1.785 646 HB1 ALA 94 1HB ALA 94 10.038 6.746 3.716 647 HB2 ALA 94 2HB ALA 94 11.191 5.450 4.112 648 HB3 ALA 94 3HB ALA 94 11.595 7.144 4.481 649 H LEU 95 H LEU 95 13.923 5.395 3.027 650 HA LEU 95 HA LEU 95 15.515 7.609 3.631 651 HB2 LEU 95 1HB LEU 95 16.419 4.860 2.773 652 HB3 LEU 95 2HB LEU 95 17.337 6.037 3.692 653 HG LEU 95 HG LEU 95 14.833 4.611 4.634 654 HD11 LEU 95 1HD1 LEU 95 16.259 3.366 6.113 655 HD12 LEU 95 2HD1 LEU 95 16.863 3.184 4.449 656 HD13 LEU 95 3HD1 LEU 95 17.691 4.280 5.581 657 HD21 LEU 95 1HD2 LEU 95 16.280 6.961 5.664 658 HD22 LEU 95 2HD2 LEU 95 14.616 6.404 5.964 659 HD23 LEU 95 3HD2 LEU 95 15.971 5.686 6.868 660 H ALA 96 H ALA 96 14.379 6.367 0.619 661 HA ALA 96 HA ALA 96 16.630 7.493 -0.847 662 HB1 ALA 96 1HB ALA 96 16.131 5.656 -2.065 663 HB2 ALA 96 2HB ALA 96 14.533 5.481 -1.301 664 HB3 ALA 96 3HB ALA 96 14.745 6.590 -2.677 665 H HIS 97 H HIS 97 13.588 8.405 0.471 666 HA HIS 97 HA HIS 97 12.493 10.313 0.377 667 HB2 HIS 97 1HB HIS 97 14.390 11.339 -1.740 668 HB3 HIS 97 2HB HIS 97 13.385 12.273 -0.649 669 HD1 HIS 97 1HD HIS 97 16.593 12.422 -0.926 670 HD2 HIS 97 2HD HIS 97 14.423 10.505 2.109 671 HE1 HIS 97 1HE HIS 97 18.152 12.282 1.088 672 H LYS 98 H LYS 98 12.577 7.947 -1.804 673 HA LYS 98 HA LYS 98 10.259 8.963 -3.173 674 HB2 LYS 98 1HB LYS 98 12.281 9.730 -4.520 675 HB3 LYS 98 2HB LYS 98 12.599 8.040 -4.854 676 HG2 LYS 98 1HG LYS 98 9.816 8.412 -5.359 677 HG3 LYS 98 2HG LYS 98 10.615 9.805 -6.062 678 HD2 LYS 98 1HD LYS 98 12.225 8.223 -7.228 679 HD3 LYS 98 2HD LYS 98 11.287 6.877 -6.613 680 HE2 LYS 98 1HE LYS 98 9.443 7.343 -7.989 681 HE3 LYS 98 2HE LYS 98 9.810 9.053 -8.091 682 HZ1 LYS 98 1HZ LYS 98 10.494 8.325 -10.107 683 HZ2 LYS 98 2HZ LYS 98 11.904 8.160 -9.301 684 HZ3 LYS 98 3HZ LYS 98 10.968 6.853 -9.584 685 H VAL 99 H VAL 99 8.953 7.256 -4.046 686 HA VAL 99 HA VAL 99 9.947 4.558 -3.746 687 HB VAL 99 HB VAL 99 9.067 5.366 -1.500 688 HG11 VAL 99 1HG1 VAL 99 6.870 6.165 -3.065 689 HG12 VAL 99 2HG1 VAL 99 6.299 4.772 -2.116 690 HG13 VAL 99 3HG1 VAL 99 7.000 6.185 -1.290 691 HG21 VAL 99 1HG2 VAL 99 9.129 2.911 -2.623 692 HG22 VAL 99 2HG2 VAL 99 8.564 3.218 -0.963 693 HG23 VAL 99 3HG2 VAL 99 7.386 3.044 -2.286 694 H VAL 100 H VAL 100 8.478 2.975 -4.770 695 HA VAL 100 HA VAL 100 6.486 4.249 -6.499 696 HB VAL 100 HB VAL 100 8.848 2.566 -7.265 697 HG11 VAL 100 1HG1 VAL 100 7.553 1.257 -8.546 698 HG12 VAL 100 2HG1 VAL 100 6.123 2.290 -8.304 699 HG13 VAL 100 3HG1 VAL 100 7.310 2.695 -9.567 700 HG21 VAL 100 1HG2 VAL 100 8.252 4.409 -9.269 701 HG22 VAL 100 2HG2 VAL 100 7.876 5.272 -7.759 702 HG23 VAL 100 3HG2 VAL 100 9.495 4.576 -8.007 703 H LEU 101 H LEU 101 4.544 3.257 -6.320 704 HA LEU 101 HA LEU 101 4.580 0.505 -5.290 705 HB2 LEU 101 1HB LEU 101 2.279 2.396 -4.942 706 HB3 LEU 101 2HB LEU 101 2.656 0.934 -4.053 707 HG LEU 101 HG LEU 101 3.074 2.729 -2.582 708 HD11 LEU 101 1HD1 LEU 101 5.229 2.295 -1.884 709 HD12 LEU 101 2HD1 LEU 101 4.895 0.889 -2.924 710 HD13 LEU 101 3HD1 LEU 101 5.875 2.240 -3.542 711 HD21 LEU 101 1HD2 LEU 101 4.100 4.749 -3.057 712 HD22 LEU 101 2HD2 LEU 101 4.982 4.097 -4.459 713 HD23 LEU 101 3HD2 LEU 101 3.231 4.397 -4.570 714 H GLU 102 H GLU 102 3.057 -0.994 -6.192 715 HA GLU 102 HA GLU 102 2.009 -0.063 -8.752 716 HB2 GLU 102 1HB GLU 102 3.904 -1.596 -9.087 717 HB3 GLU 102 2HB GLU 102 3.168 -2.792 -8.040 718 HG2 GLU 102 1HG GLU 102 1.947 -3.619 -9.762 719 HG3 GLU 102 2HG GLU 102 1.233 -2.046 -10.059 720 H VAL 103 H VAL 103 -0.193 -0.047 -8.800 721 HA VAL 103 HA VAL 103 -1.575 -1.797 -6.902 722 HB VAL 103 HB VAL 103 -2.923 0.383 -8.431 723 HG11 VAL 103 1HG1 VAL 103 -3.319 0.089 -5.523 724 HG12 VAL 103 2HG1 VAL 103 -4.510 0.201 -6.842 725 HG13 VAL 103 3HG1 VAL 103 -3.732 -1.357 -6.475 726 HG21 VAL 103 1HG2 VAL 103 -2.223 2.005 -6.626 727 HG22 VAL 103 2HG2 VAL 103 -0.977 0.826 -6.148 728 HG23 VAL 103 3HG2 VAL 103 -0.942 1.550 -7.774 729 H GLU 104 H GLU 104 -3.449 -3.021 -7.627 730 HA GLU 104 HA GLU 104 -3.216 -3.637 -10.468 731 HB2 GLU 104 1HB GLU 104 -2.665 -5.441 -8.716 732 HB3 GLU 104 2HB GLU 104 -4.370 -5.451 -8.313 733 HG2 GLU 104 1HG GLU 104 -4.621 -5.703 -10.992 734 HG3 GLU 104 2HG GLU 104 -3.007 -6.369 -10.837 735 H PHE 105 H PHE 105 -5.151 -3.892 -11.730 736 HA PHE 105 HA PHE 105 -7.715 -3.833 -10.708 737 HB2 PHE 105 1HB PHE 105 -8.231 -1.388 -11.327 738 HB3 PHE 105 2HB PHE 105 -7.207 -1.560 -9.916 739 HD1 PHE 105 2HD PHE 105 -7.146 -0.835 -13.547 740 HD2 PHE 105 1HD PHE 105 -5.049 -0.614 -9.865 741 HE1 PHE 105 2HE PHE 105 -5.421 0.640 -14.619 742 HE2 PHE 105 1HE PHE 105 -3.323 0.861 -10.937 743 HZ PHE 105 HZ PHE 105 -3.530 1.471 -13.301 744 H ASP 106 H ASP 106 -9.376 -3.372 -12.464 745 HA ASP 106 HA ASP 106 -8.153 -4.076 -15.002 746 HB2 ASP 106 1HB ASP 106 -11.086 -4.249 -14.176 747 HB3 ASP 106 2HB ASP 106 -10.374 -4.941 -15.620 748 H SER 107 H SER 107 -7.676 -1.977 -15.872 749 HA SER 107 HA SER 107 -9.192 0.258 -15.545 750 HB2 SER 107 1HB SER 107 -6.862 0.059 -16.553 751 HB3 SER 107 2HB SER 107 -7.610 -0.453 -18.053 752 HG SER 107 HG SER 107 -8.756 1.590 -18.125 753 H GLY 108 H GLY 108 -11.421 0.200 -15.855 754 HA2 GLY 108 1HA GLY 108 -12.441 0.237 -18.488 755 HA3 GLY 108 2HA GLY 108 -12.764 -1.324 -17.762 756 HA PRO 109 HA PRO 109 -16.094 1.368 -16.339 757 HB2 PRO 109 1HB PRO 109 -18.167 -0.317 -16.920 758 HB3 PRO 109 2HB PRO 109 -17.603 0.924 -18.021 759 HG2 PRO 109 1HG PRO 109 -17.178 -1.998 -18.148 760 HG3 PRO 109 2HG PRO 109 -17.003 -0.807 -19.421 761 HD2 PRO 109 1HD PRO 109 -14.889 -2.065 -17.945 762 HD3 PRO 109 2HD PRO 109 -14.722 -0.791 -19.137 763 H SER 110 H SER 110 -14.871 0.951 -14.326 764 HA SER 110 HA SER 110 -15.890 -1.331 -12.914 765 HB2 SER 110 1HB SER 110 -13.843 0.817 -12.240 766 HB3 SER 110 2HB SER 110 -14.348 -0.383 -11.068 767 HG SER 110 HG SER 110 -12.609 -1.356 -12.002 768 H SER 111 H SER 111 -18.141 -0.772 -12.656 769 HA SER 111 HA SER 111 -18.817 1.729 -11.510 770 HB2 SER 111 1HB SER 111 -20.346 -0.792 -12.213 771 HB3 SER 111 2HB SER 111 -21.124 0.479 -11.291 772 HG SER 111 HG SER 111 -21.572 1.113 -13.337 773 H GLY 112 H GLY 112 -19.957 1.976 -9.389 774 HA2 GLY 112 1HA GLY 112 -20.011 -0.090 -7.466 775 HA3 GLY 112 2HA GLY 112 -18.543 0.846 -7.267 Start of MODEL 2 1 H1 GLY 1 H GLY 1 22.667 -9.262 -26.572 2 HA2 GLY 1 1HA GLY 1 22.534 -8.074 -28.704 3 HA3 GLY 1 2HA GLY 1 20.961 -8.647 -28.186 4 H SER 2 H SER 2 20.086 -6.890 -29.583 5 HA SER 2 HA SER 2 19.626 -4.585 -27.979 6 HB2 SER 2 1HB SER 2 20.294 -2.981 -29.837 7 HB3 SER 2 2HB SER 2 21.630 -3.754 -29.007 8 HG SER 2 HG SER 2 21.919 -3.796 -31.319 9 H SER 3 H SER 3 19.471 -5.778 -31.421 10 HA SER 3 HA SER 3 17.239 -4.573 -32.225 11 HB2 SER 3 1HB SER 3 18.612 -6.090 -33.622 12 HB3 SER 3 2HB SER 3 18.013 -7.479 -32.738 13 HG SER 3 HG SER 3 16.428 -7.527 -34.167 14 H GLY 4 H GLY 4 14.945 -4.980 -32.163 15 HA2 GLY 4 1HA GLY 4 13.039 -6.099 -31.482 16 HA3 GLY 4 2HA GLY 4 13.989 -7.116 -30.418 17 H SER 5 H SER 5 11.684 -6.065 -29.374 18 HA SER 5 HA SER 5 12.766 -4.055 -27.569 19 HB2 SER 5 1HB SER 5 10.158 -4.016 -29.094 20 HB3 SER 5 2HB SER 5 10.217 -3.276 -27.507 21 HG SER 5 HG SER 5 10.816 -2.011 -29.634 22 H SER 6 H SER 6 11.352 -3.949 -25.470 23 HA SER 6 HA SER 6 10.619 -6.697 -24.841 24 HB2 SER 6 1HB SER 6 12.524 -5.295 -23.607 25 HB3 SER 6 2HB SER 6 11.170 -4.610 -22.729 26 HG SER 6 HG SER 6 11.797 -6.397 -21.537 27 H GLY 7 H GLY 7 8.503 -7.139 -24.266 28 HA2 GLY 7 1HA GLY 7 6.620 -6.305 -22.890 29 HA3 GLY 7 2HA GLY 7 6.746 -4.805 -23.787 30 H GLY 8 H GLY 8 4.307 -6.058 -23.817 31 HA2 GLY 8 1HA GLY 8 3.593 -6.237 -26.436 32 HA3 GLY 8 2HA GLY 8 4.057 -7.877 -26.029 33 H GLY 9 H GLY 9 2.564 -9.193 -25.047 34 HA2 GLY 9 1HA GLY 9 0.664 -9.853 -24.046 35 HA3 GLY 9 2HA GLY 9 0.718 -8.371 -23.112 36 H GLN 10 H GLN 10 -1.187 -10.121 -25.203 37 HA GLN 10 HA GLN 10 -2.632 -7.712 -25.915 38 HB2 GLN 10 1HB GLN 10 -3.152 -8.897 -28.177 39 HB3 GLN 10 2HB GLN 10 -1.606 -8.091 -27.999 40 HG2 GLN 10 1HG GLN 10 -1.887 -11.032 -27.294 41 HG3 GLN 10 2HG GLN 10 -1.674 -10.542 -28.963 42 HE21 GLN 10 1HE2 GLN 10 -0.025 -11.867 -26.695 43 HE22 GLN 10 2HE2 GLN 10 1.533 -11.117 -26.808 44 H ILE 11 H ILE 11 -4.848 -7.901 -25.606 45 HA ILE 11 HA ILE 11 -6.785 -8.780 -25.019 46 HB ILE 11 HB ILE 11 -5.590 -11.180 -26.382 47 HG12 ILE 11 1HG1 ILE 11 -7.816 -10.413 -27.774 48 HG13 ILE 11 2HG1 ILE 11 -7.262 -8.870 -27.156 49 HG21 ILE 11 1HG2 ILE 11 -7.115 -11.987 -24.624 50 HG22 ILE 11 2HG2 ILE 11 -8.408 -10.960 -25.289 51 HG23 ILE 11 3HG2 ILE 11 -7.742 -12.294 -26.261 52 HD11 ILE 11 1HD1 ILE 11 -5.269 -10.780 -28.403 53 HD12 ILE 11 2HD1 ILE 11 -6.297 -9.758 -29.436 54 HD13 ILE 11 3HD1 ILE 11 -5.186 -9.007 -28.265 55 H VAL 12 H VAL 12 -7.497 -9.161 -22.982 56 HA VAL 12 HA VAL 12 -7.485 -9.776 -20.860 57 HB VAL 12 HB VAL 12 -6.301 -12.206 -22.176 58 HG11 VAL 12 1HG1 VAL 12 -6.487 -13.444 -20.092 59 HG12 VAL 12 2HG1 VAL 12 -5.373 -12.072 -19.880 60 HG13 VAL 12 3HG1 VAL 12 -7.030 -11.981 -19.237 61 HG21 VAL 12 1HG2 VAL 12 -8.732 -11.520 -22.470 62 HG22 VAL 12 2HG2 VAL 12 -8.451 -13.169 -21.861 63 HG23 VAL 12 3HG2 VAL 12 -8.948 -11.879 -20.740 64 H HIS 13 H HIS 13 -6.282 -8.385 -19.651 65 HA HIS 13 HA HIS 13 -3.790 -9.180 -18.715 66 HB2 HIS 13 1HB HIS 13 -2.593 -8.623 -20.569 67 HB3 HIS 13 2HB HIS 13 -3.759 -7.435 -21.117 68 HD1 HIS 13 1HD HIS 13 -3.097 -5.038 -20.816 69 HD2 HIS 13 2HD HIS 13 -1.010 -7.596 -18.229 70 HE1 HIS 13 1HE HIS 13 -1.390 -3.585 -19.598 71 H THR 14 H THR 14 -4.278 -8.596 -16.650 72 HA THR 14 HA THR 14 -6.009 -6.613 -15.881 73 HB THR 14 HB THR 14 -3.537 -7.340 -14.269 74 HG1 THR 14 1HG THR 14 -5.881 -8.919 -15.063 75 HG21 THR 14 1HG2 THR 14 -6.508 -7.426 -13.555 76 HG22 THR 14 2HG2 THR 14 -5.123 -7.482 -12.438 77 HG23 THR 14 3HG2 THR 14 -5.507 -5.975 -13.304 78 H GLU 15 H GLU 15 -5.657 -4.520 -14.826 79 HA GLU 15 HA GLU 15 -3.622 -3.087 -16.318 80 HB2 GLU 15 1HB GLU 15 -6.284 -2.354 -15.119 81 HB3 GLU 15 2HB GLU 15 -5.080 -1.090 -15.267 82 HG2 GLU 15 1HG GLU 15 -5.032 -2.511 -17.745 83 HG3 GLU 15 2HG GLU 15 -6.725 -2.301 -17.345 84 H THR 16 H THR 16 -2.169 -1.599 -15.259 85 HA THR 16 HA THR 16 -2.143 -1.722 -12.335 86 HB THR 16 HB THR 16 0.457 -2.082 -12.690 87 HG1 THR 16 1HG THR 16 0.870 -3.026 -14.746 88 HG21 THR 16 1HG2 THR 16 -1.711 -4.189 -13.040 89 HG22 THR 16 2HG2 THR 16 0.008 -4.640 -13.146 90 HG23 THR 16 3HG2 THR 16 -0.635 -3.929 -11.646 91 H THR 17 H THR 17 -0.879 -0.014 -11.329 92 HA THR 17 HA THR 17 -0.280 2.201 -13.159 93 HB THR 17 HB THR 17 -2.648 2.293 -12.070 94 HG1 THR 17 1HG THR 17 -1.947 4.305 -12.730 95 HG21 THR 17 1HG2 THR 17 -2.758 3.069 -9.781 96 HG22 THR 17 2HG2 THR 17 -1.744 1.606 -9.740 97 HG23 THR 17 3HG2 THR 17 -0.987 3.216 -9.677 98 H GLU 18 H GLU 18 1.260 3.739 -12.362 99 HA GLU 18 HA GLU 18 2.840 2.579 -10.201 100 HB2 GLU 18 1HB GLU 18 3.911 2.526 -12.479 101 HB3 GLU 18 2HB GLU 18 3.825 4.276 -12.537 102 HG2 GLU 18 1HG GLU 18 5.458 4.559 -10.874 103 HG3 GLU 18 2HG GLU 18 5.121 3.012 -10.123 104 H VAL 19 H VAL 19 2.837 3.772 -8.349 105 HA VAL 19 HA VAL 19 2.300 6.647 -8.636 106 HB VAL 19 HB VAL 19 1.709 4.731 -6.372 107 HG11 VAL 19 1HG1 VAL 19 2.311 6.873 -5.431 108 HG12 VAL 19 2HG1 VAL 19 1.257 7.725 -6.585 109 HG13 VAL 19 3HG1 VAL 19 0.544 6.680 -5.333 110 HG21 VAL 19 1HG2 VAL 19 0.277 4.822 -8.574 111 HG22 VAL 19 2HG2 VAL 19 -0.521 4.785 -6.984 112 HG23 VAL 19 3HG2 VAL 19 -0.358 6.324 -7.862 113 H VAL 20 H VAL 20 3.875 8.052 -8.018 114 HA VAL 20 HA VAL 20 6.179 6.867 -6.642 115 HB VAL 20 HB VAL 20 5.902 9.224 -8.511 116 HG11 VAL 20 1HG1 VAL 20 8.434 8.274 -7.133 117 HG12 VAL 20 2HG1 VAL 20 8.256 9.661 -8.234 118 HG13 VAL 20 3HG1 VAL 20 7.486 9.694 -6.629 119 HG21 VAL 20 1HG2 VAL 20 6.372 6.474 -8.964 120 HG22 VAL 20 2HG2 VAL 20 6.503 7.812 -10.130 121 HG23 VAL 20 3HG2 VAL 20 7.933 7.294 -9.204 122 H LEU 21 H LEU 21 5.953 7.167 -4.472 123 HA LEU 21 HA LEU 21 4.835 9.720 -3.590 124 HB2 LEU 21 1HB LEU 21 5.296 7.138 -2.091 125 HB3 LEU 21 2HB LEU 21 4.592 8.594 -1.417 126 HG LEU 21 HG LEU 21 3.422 6.667 -3.404 127 HD11 LEU 21 1HD1 LEU 21 2.948 6.217 -1.094 128 HD12 LEU 21 2HD1 LEU 21 2.440 7.901 -0.818 129 HD13 LEU 21 3HD1 LEU 21 1.470 6.839 -1.867 130 HD21 LEU 21 1HD2 LEU 21 2.998 8.641 -4.583 131 HD22 LEU 21 2HD2 LEU 21 1.519 8.374 -3.630 132 HD23 LEU 21 3HD2 LEU 21 2.715 9.581 -3.098 133 H CYS 22 H CYS 22 5.984 11.137 -2.248 134 HA CYS 22 HA CYS 22 8.768 10.377 -1.770 135 HB2 CYS 22 1HB CYS 22 9.015 11.800 -3.619 136 HB3 CYS 22 2HB CYS 22 7.734 12.877 -3.099 137 HG CYS 22 HG CYS 22 9.079 14.417 -1.917 138 H GLY 23 H GLY 23 9.666 11.340 0.186 139 HA2 GLY 23 1HA GLY 23 8.372 13.226 1.782 140 HA3 GLY 23 2HA GLY 23 7.810 11.646 2.289 141 H ASP 24 H ASP 24 9.113 12.841 4.246 142 HA ASP 24 HA ASP 24 11.926 12.423 4.031 143 HB2 ASP 24 1HB ASP 24 10.006 13.561 6.024 144 HB3 ASP 24 2HB ASP 24 11.459 12.857 6.707 145 HA PRO 25 HA PRO 25 11.943 8.505 6.005 146 HB2 PRO 25 1HB PRO 25 14.143 8.559 7.626 147 HB3 PRO 25 2HB PRO 25 14.235 8.309 5.894 148 HG2 PRO 25 1HG PRO 25 14.897 10.731 7.455 149 HG3 PRO 25 2HG PRO 25 15.371 10.315 5.820 150 HD2 PRO 25 1HD PRO 25 13.336 12.183 6.594 151 HD3 PRO 25 2HD PRO 25 13.732 11.680 4.962 152 H LEU 26 H LEU 26 11.538 11.257 7.908 153 HA LEU 26 HA LEU 26 10.942 9.673 10.267 154 HB2 LEU 26 1HB LEU 26 11.602 12.461 9.663 155 HB3 LEU 26 2HB LEU 26 10.299 12.292 10.823 156 HG LEU 26 HG LEU 26 12.985 10.921 11.109 157 HD11 LEU 26 1HD1 LEU 26 13.840 12.920 11.581 158 HD12 LEU 26 2HD1 LEU 26 12.239 13.697 11.569 159 HD13 LEU 26 3HD1 LEU 26 12.832 12.904 13.048 160 HD21 LEU 26 1HD2 LEU 26 10.945 9.966 12.289 161 HD22 LEU 26 2HD2 LEU 26 12.343 10.376 13.310 162 HD23 LEU 26 3HD2 LEU 26 10.932 11.459 13.258 163 H SER 27 H SER 27 9.312 11.917 7.937 164 HA SER 27 HA SER 27 6.790 11.416 9.120 165 HB2 SER 27 1HB SER 27 7.478 13.534 7.886 166 HB3 SER 27 2HB SER 27 7.396 12.628 6.388 167 HG SER 27 HG SER 27 5.418 13.893 7.078 168 H GLY 28 H GLY 28 8.749 10.066 6.475 169 HA2 GLY 28 1HA GLY 28 8.497 7.991 5.534 170 HA3 GLY 28 2HA GLY 28 6.894 7.847 6.228 171 H PHE 29 H PHE 29 5.369 7.658 4.650 172 HA PHE 29 HA PHE 29 5.526 9.569 2.442 173 HB2 PHE 29 1HB PHE 29 5.149 6.525 2.446 174 HB3 PHE 29 2HB PHE 29 4.604 7.490 1.088 175 HD1 PHE 29 1HD PHE 29 6.819 9.476 0.916 176 HD2 PHE 29 2HD PHE 29 6.908 5.282 1.551 177 HE1 PHE 29 1HE PHE 29 9.120 9.374 -0.080 178 HE2 PHE 29 2HE PHE 29 9.210 5.180 0.555 179 HZ PHE 29 HZ PHE 29 10.288 7.227 -0.248 180 H GLY 30 H GLY 30 3.908 8.895 5.108 181 HA2 GLY 30 1HA GLY 30 1.774 9.023 5.808 182 HA3 GLY 30 2HA GLY 30 1.525 10.076 4.430 183 H LEU 31 H LEU 31 2.153 6.512 4.853 184 HA LEU 31 HA LEU 31 -0.426 5.952 3.675 185 HB2 LEU 31 1HB LEU 31 0.258 4.924 1.756 186 HB3 LEU 31 2HB LEU 31 1.334 6.305 1.827 187 HG LEU 31 HG LEU 31 2.824 4.414 3.132 188 HD11 LEU 31 1HD1 LEU 31 0.872 3.003 1.409 189 HD12 LEU 31 2HD1 LEU 31 2.574 2.509 1.234 190 HD13 LEU 31 3HD1 LEU 31 1.785 2.436 2.828 191 HD21 LEU 31 1HD2 LEU 31 4.294 4.877 1.512 192 HD22 LEU 31 2HD2 LEU 31 3.193 4.336 0.222 193 HD23 LEU 31 3HD2 LEU 31 3.044 5.980 0.889 194 H GLN 32 H GLN 32 -1.227 3.922 4.295 195 HA GLN 32 HA GLN 32 0.600 2.414 5.998 196 HB2 GLN 32 1HB GLN 32 -2.115 3.507 6.573 197 HB3 GLN 32 2HB GLN 32 -1.852 1.856 7.098 198 HG2 GLN 32 1HG GLN 32 0.205 4.003 7.717 199 HG3 GLN 32 2HG GLN 32 -1.222 3.833 8.721 200 HE21 GLN 32 1HE2 GLN 32 1.893 3.063 8.548 201 HE22 GLN 32 2HE2 GLN 32 1.952 1.556 9.401 202 H LEU 33 H LEU 33 0.606 0.174 5.714 203 HA LEU 33 HA LEU 33 -1.027 -0.763 3.484 204 HB2 LEU 33 1HB LEU 33 1.505 -1.754 4.778 205 HB3 LEU 33 2HB LEU 33 0.582 -2.740 3.662 206 HG LEU 33 HG LEU 33 1.805 -0.040 3.028 207 HD11 LEU 33 1HD1 LEU 33 3.252 -1.469 1.491 208 HD12 LEU 33 2HD1 LEU 33 3.597 -1.550 3.235 209 HD13 LEU 33 3HD1 LEU 33 2.695 -2.865 2.445 210 HD21 LEU 33 1HD2 LEU 33 -0.150 -0.275 1.697 211 HD22 LEU 33 2HD2 LEU 33 1.239 -0.674 0.658 212 HD23 LEU 33 3HD2 LEU 33 0.223 -1.975 1.325 213 H GLN 34 H GLN 34 -2.027 -2.952 3.651 214 HA GLN 34 HA GLN 34 -2.598 -3.679 6.399 215 HB2 GLN 34 1HB GLN 34 -4.552 -2.456 6.052 216 HB3 GLN 34 2HB GLN 34 -4.576 -2.765 4.327 217 HG2 GLN 34 1HG GLN 34 -5.549 -4.891 4.571 218 HG3 GLN 34 2HG GLN 34 -4.919 -5.114 6.191 219 HE21 GLN 34 1HE2 GLN 34 -7.390 -3.683 4.212 220 HE22 GLN 34 2HE2 GLN 34 -8.498 -3.238 5.466 221 H GLY 35 H GLY 35 -2.022 -5.795 6.601 222 HA2 GLY 35 1HA GLY 35 -2.806 -7.653 4.468 223 HA3 GLY 35 2HA GLY 35 -1.114 -7.558 4.914 224 H GLY 36 H GLY 36 -0.982 -9.678 5.783 225 HA2 GLY 36 1HA GLY 36 -2.790 -10.877 7.501 226 HA3 GLY 36 2HA GLY 36 -1.075 -11.225 7.409 227 H ILE 37 H ILE 37 -1.981 -11.557 9.871 228 HA ILE 37 HA ILE 37 -1.891 -9.062 11.331 229 HB ILE 37 HB ILE 37 -2.332 -11.935 12.135 230 HG12 ILE 37 1HG1 ILE 37 -4.178 -10.923 10.899 231 HG13 ILE 37 2HG1 ILE 37 -4.618 -11.210 12.570 232 HG21 ILE 37 1HG2 ILE 37 -1.789 -11.413 14.220 233 HG22 ILE 37 2HG2 ILE 37 -1.460 -9.726 13.760 234 HG23 ILE 37 3HG2 ILE 37 -3.105 -10.215 14.230 235 HD11 ILE 37 1HD1 ILE 37 -5.408 -9.000 12.025 236 HD12 ILE 37 2HD1 ILE 37 -3.974 -8.776 13.055 237 HD13 ILE 37 3HD1 ILE 37 -3.848 -8.553 11.293 238 H PHE 38 H PHE 38 0.021 -12.120 11.009 239 HA PHE 38 HA PHE 38 2.093 -11.033 12.680 240 HB2 PHE 38 1HB PHE 38 1.941 -13.514 10.864 241 HB3 PHE 38 2HB PHE 38 3.129 -13.266 12.129 242 HD1 PHE 38 2HD PHE 38 2.440 -13.355 14.507 243 HD2 PHE 38 1HD PHE 38 -0.266 -14.286 11.374 244 HE1 PHE 38 2HE PHE 38 0.922 -14.487 16.155 245 HE2 PHE 38 1HE PHE 38 -1.784 -15.418 13.022 246 HZ PHE 38 HZ PHE 38 -1.172 -15.505 15.393 247 H ALA 39 H ALA 39 3.572 -9.597 11.926 248 HA ALA 39 HA ALA 39 3.876 -8.718 9.410 249 HB1 ALA 39 1HB ALA 39 6.046 -7.899 10.107 250 HB2 ALA 39 2HB ALA 39 4.955 -7.849 11.512 251 HB3 ALA 39 3HB ALA 39 6.163 -9.148 11.370 252 H THR 40 H THR 40 5.534 -11.576 10.885 253 HA THR 40 HA THR 40 7.026 -12.174 8.552 254 HB THR 40 HB THR 40 7.407 -14.330 9.826 255 HG1 THR 40 1HG THR 40 6.215 -14.372 11.910 256 HG21 THR 40 1HG2 THR 40 7.886 -13.041 12.165 257 HG22 THR 40 2HG2 THR 40 8.936 -12.820 10.745 258 HG23 THR 40 3HG2 THR 40 7.676 -11.619 11.116 259 H GLU 41 H GLU 41 6.612 -14.886 8.076 260 HA GLU 41 HA GLU 41 5.421 -16.273 6.902 261 HB2 GLU 41 1HB GLU 41 2.964 -14.727 7.842 262 HB3 GLU 41 2HB GLU 41 2.937 -16.306 7.083 263 HG2 GLU 41 1HG GLU 41 4.819 -16.398 9.277 264 HG3 GLU 41 2HG GLU 41 3.334 -15.676 9.865 265 H THR 42 H THR 42 5.255 -16.370 4.687 266 HA THR 42 HA THR 42 5.468 -14.101 3.129 267 HB THR 42 HB THR 42 4.286 -16.788 2.274 268 HG1 THR 42 1HG THR 42 6.190 -17.467 3.195 269 HG21 THR 42 1HG2 THR 42 4.628 -14.862 0.568 270 HG22 THR 42 2HG2 THR 42 6.368 -15.019 0.908 271 HG23 THR 42 3HG2 THR 42 5.470 -16.387 0.207 272 H LEU 43 H LEU 43 4.002 -13.174 1.519 273 HA LEU 43 HA LEU 43 1.331 -12.960 2.687 274 HB2 LEU 43 1HB LEU 43 3.058 -11.164 1.026 275 HB3 LEU 43 2HB LEU 43 1.318 -10.958 1.003 276 HG LEU 43 HG LEU 43 3.104 -10.801 3.446 277 HD11 LEU 43 1HD1 LEU 43 1.942 -8.772 1.594 278 HD12 LEU 43 2HD1 LEU 43 2.007 -8.384 3.331 279 HD13 LEU 43 3HD1 LEU 43 3.501 -8.790 2.453 280 HD21 LEU 43 1HD2 LEU 43 1.050 -11.697 4.203 281 HD22 LEU 43 2HD2 LEU 43 0.993 -9.954 4.560 282 HD23 LEU 43 3HD2 LEU 43 0.101 -10.606 3.164 283 H SER 44 H SER 44 -0.236 -14.193 1.811 284 HA SER 44 HA SER 44 0.204 -15.464 -0.665 285 HB2 SER 44 1HB SER 44 -2.155 -16.308 -0.310 286 HB3 SER 44 2HB SER 44 -1.063 -16.631 1.022 287 HG SER 44 HG SER 44 -3.057 -14.539 0.861 288 H SER 45 H SER 45 -1.368 -12.492 0.432 289 HA SER 45 HA SER 45 -2.083 -11.986 -2.339 290 HB2 SER 45 1HB SER 45 -4.035 -10.581 -1.027 291 HB3 SER 45 2HB SER 45 -4.266 -12.178 -1.711 292 HG SER 45 HG SER 45 -4.935 -11.933 0.577 293 HA PRO 46 HA PRO 46 -0.286 -8.100 -1.559 294 HB2 PRO 46 1HB PRO 46 -1.704 -6.379 -3.140 295 HB3 PRO 46 2HB PRO 46 -0.458 -7.445 -3.760 296 HG2 PRO 46 1HG PRO 46 -3.394 -7.691 -3.998 297 HG3 PRO 46 2HG PRO 46 -2.146 -8.478 -4.943 298 HD2 PRO 46 1HD PRO 46 -3.711 -9.655 -2.848 299 HD3 PRO 46 2HD PRO 46 -2.385 -10.406 -3.713 300 HA PRO 47 HA PRO 47 -2.336 -6.135 1.605 301 HB2 PRO 47 1HB PRO 47 -0.535 -4.170 2.209 302 HB3 PRO 47 2HB PRO 47 -0.393 -5.814 2.798 303 HG2 PRO 47 1HG PRO 47 1.145 -4.472 0.660 304 HG3 PRO 47 2HG PRO 47 1.539 -5.934 1.544 305 HD2 PRO 47 1HD PRO 47 0.523 -5.767 -1.134 306 HD3 PRO 47 2HD PRO 47 0.807 -7.229 -0.209 307 H LEU 48 H LEU 48 -3.737 -4.443 2.115 308 HA LEU 48 HA LEU 48 -4.059 -2.668 -0.193 309 HB2 LEU 48 1HB LEU 48 -6.135 -3.018 1.924 310 HB3 LEU 48 2HB LEU 48 -6.318 -2.602 0.231 311 HG LEU 48 HG LEU 48 -5.194 -5.268 0.532 312 HD11 LEU 48 1HD1 LEU 48 -7.268 -6.325 1.433 313 HD12 LEU 48 2HD1 LEU 48 -6.344 -5.388 2.632 314 HD13 LEU 48 3HD1 LEU 48 -7.827 -4.707 1.920 315 HD21 LEU 48 1HD2 LEU 48 -7.864 -5.097 -0.602 316 HD22 LEU 48 2HD2 LEU 48 -6.780 -3.849 -1.264 317 HD23 LEU 48 3HD2 LEU 48 -6.323 -5.567 -1.360 318 H VAL 49 H VAL 49 -4.979 -0.418 0.439 319 HA VAL 49 HA VAL 49 -3.078 0.730 2.234 320 HB VAL 49 HB VAL 49 -5.333 1.788 0.536 321 HG11 VAL 49 1HG1 VAL 49 -5.388 3.698 1.681 322 HG12 VAL 49 2HG1 VAL 49 -4.223 3.038 2.854 323 HG13 VAL 49 3HG1 VAL 49 -3.640 3.913 1.418 324 HG21 VAL 49 1HG2 VAL 49 -2.989 3.007 -0.240 325 HG22 VAL 49 2HG2 VAL 49 -2.438 1.378 0.220 326 HG23 VAL 49 3HG2 VAL 49 -3.712 1.573 -1.007 327 H CYS 50 H CYS 50 -3.385 0.200 4.375 328 HA CYS 50 HA CYS 50 -5.867 -0.204 5.537 329 HB2 CYS 50 1HB CYS 50 -3.420 -0.749 6.358 330 HB3 CYS 50 2HB CYS 50 -3.543 0.806 7.155 331 HG CYS 50 HG CYS 50 -6.317 -0.576 7.473 332 H PHE 51 H PHE 51 -3.641 2.676 5.564 333 HA PHE 51 HA PHE 51 -5.957 4.399 5.682 334 HB2 PHE 51 1HB PHE 51 -5.563 4.098 8.056 335 HB3 PHE 51 2HB PHE 51 -3.826 4.012 7.838 336 HD1 PHE 51 1HD PHE 51 -6.714 6.301 7.920 337 HD2 PHE 51 2HD PHE 51 -2.483 5.982 7.846 338 HE1 PHE 51 1HE PHE 51 -6.520 8.737 8.493 339 HE2 PHE 51 2HE PHE 51 -2.289 8.418 8.419 340 HZ PHE 51 HZ PHE 51 -4.310 9.767 8.736 341 H ILE 52 H ILE 52 -5.179 6.803 5.632 342 HA ILE 52 HA ILE 52 -2.562 7.046 4.383 343 HB ILE 52 HB ILE 52 -5.189 7.514 3.040 344 HG12 ILE 52 1HG1 ILE 52 -2.554 6.591 1.880 345 HG13 ILE 52 2HG1 ILE 52 -3.660 5.490 2.679 346 HG21 ILE 52 1HG2 ILE 52 -4.558 9.641 2.616 347 HG22 ILE 52 2HG2 ILE 52 -2.836 9.317 2.930 348 HG23 ILE 52 3HG2 ILE 52 -3.560 8.854 1.370 349 HD11 ILE 52 1HD1 ILE 52 -4.311 7.246 0.267 350 HD12 ILE 52 2HD1 ILE 52 -4.088 5.480 0.260 351 HD13 ILE 52 3HD1 ILE 52 -5.482 6.197 1.103 352 H GLU 53 H GLU 53 -1.596 9.068 4.721 353 HA GLU 53 HA GLU 53 -2.781 10.527 6.854 354 HB2 GLU 53 1HB GLU 53 -0.147 10.460 5.444 355 HB3 GLU 53 2HB GLU 53 -0.579 11.996 6.168 356 HG2 GLU 53 1HG GLU 53 -1.274 10.136 8.153 357 HG3 GLU 53 2HG GLU 53 0.193 9.462 7.472 358 HA PRO 54 HA PRO 54 -4.610 13.614 4.406 359 HB2 PRO 54 1HB PRO 54 -4.970 15.579 6.270 360 HB3 PRO 54 2HB PRO 54 -6.047 14.207 6.104 361 HG2 PRO 54 1HG PRO 54 -3.997 14.714 8.173 362 HG3 PRO 54 2HG PRO 54 -5.347 13.597 8.215 363 HD2 PRO 54 1HD PRO 54 -2.591 12.942 7.765 364 HD3 PRO 54 2HD PRO 54 -3.955 11.844 7.692 365 H ASP 55 H ASP 55 -3.966 15.003 2.871 366 HA ASP 55 HA ASP 55 -2.766 16.539 1.911 367 HB2 ASP 55 1HB ASP 55 -1.364 17.215 4.523 368 HB3 ASP 55 2HB ASP 55 -1.645 18.270 3.152 369 H SER 56 H SER 56 -1.728 13.740 3.153 370 HA SER 56 HA SER 56 1.078 14.101 3.169 371 HB2 SER 56 1HB SER 56 1.113 11.985 4.015 372 HB3 SER 56 2HB SER 56 -0.620 12.199 4.173 373 HG SER 56 HG SER 56 -0.870 10.598 2.788 374 HA PRO 57 HA PRO 57 1.974 13.081 -0.982 375 HB2 PRO 57 1HB PRO 57 3.832 11.077 -0.958 376 HB3 PRO 57 2HB PRO 57 4.225 12.751 -0.625 377 HG2 PRO 57 1HG PRO 57 3.980 10.493 1.267 378 HG3 PRO 57 2HG PRO 57 4.769 12.040 1.501 379 HD2 PRO 57 1HD PRO 57 2.216 11.242 2.536 380 HD3 PRO 57 2HD PRO 57 2.953 12.826 2.671 381 H ALA 58 H ALA 58 1.283 10.140 0.793 382 HA ALA 58 HA ALA 58 0.642 8.620 -1.474 383 HB1 ALA 58 1HB ALA 58 -0.846 7.937 0.955 384 HB2 ALA 58 2HB ALA 58 0.409 7.014 0.092 385 HB3 ALA 58 3HB ALA 58 0.874 8.249 1.287 386 H GLU 59 H GLU 59 -1.039 11.159 0.296 387 HA GLU 59 HA GLU 59 -3.561 10.394 -0.864 388 HB2 GLU 59 1HB GLU 59 -3.755 11.162 1.382 389 HB3 GLU 59 2HB GLU 59 -2.684 12.522 1.110 390 HG2 GLU 59 1HG GLU 59 -5.208 12.374 -0.534 391 HG3 GLU 59 2HG GLU 59 -5.360 12.812 1.156 392 H ARG 60 H ARG 60 -0.966 12.831 -1.202 393 HA ARG 60 HA ARG 60 -2.292 14.638 -2.757 394 HB2 ARG 60 1HB ARG 60 0.613 13.762 -2.587 395 HB3 ARG 60 2HB ARG 60 0.142 14.968 -3.768 396 HG2 ARG 60 1HG ARG 60 -1.095 15.710 -1.283 397 HG3 ARG 60 2HG ARG 60 0.569 15.298 -0.919 398 HD2 ARG 60 1HD ARG 60 1.431 17.062 -2.159 399 HD3 ARG 60 2HD ARG 60 0.161 16.983 -3.363 400 HE ARG 60 HE ARG 60 -1.201 17.838 -1.123 401 HH11 ARG 60 2HH2 ARG 60 1.716 18.965 -2.737 402 HH12 ARG 60 1HH2 ARG 60 1.497 20.615 -2.259 403 HH21 ARG 60 2HH1 ARG 60 -1.491 20.015 -0.492 404 HH22 ARG 60 1HH1 ARG 60 -0.340 21.216 -0.973 405 H CYS 61 H CYS 61 -0.758 11.503 -3.585 406 HA CYS 61 HA CYS 61 -0.763 11.828 -6.353 407 HB2 CYS 61 1HB CYS 61 -0.643 9.462 -4.503 408 HB3 CYS 61 2HB CYS 61 -0.877 9.194 -6.219 409 HG CYS 61 HG CYS 61 1.290 9.817 -7.051 410 H GLY 62 H GLY 62 -3.254 11.079 -3.946 411 HA2 GLY 62 1HA GLY 62 -5.506 11.061 -4.166 412 HA3 GLY 62 2HA GLY 62 -5.342 11.419 -5.874 413 H LEU 63 H LEU 63 -3.988 9.356 -7.005 414 HA LEU 63 HA LEU 63 -5.781 7.416 -7.432 415 HB2 LEU 63 1HB LEU 63 -2.798 7.488 -7.548 416 HB3 LEU 63 2HB LEU 63 -3.614 5.961 -7.816 417 HG LEU 63 HG LEU 63 -4.461 8.395 -9.365 418 HD11 LEU 63 1HD1 LEU 63 -1.858 7.853 -9.379 419 HD12 LEU 63 2HD1 LEU 63 -2.380 6.621 -10.553 420 HD13 LEU 63 3HD1 LEU 63 -2.735 8.340 -10.849 421 HD21 LEU 63 1HD2 LEU 63 -5.433 5.845 -9.268 422 HD22 LEU 63 2HD2 LEU 63 -5.623 6.964 -10.639 423 HD23 LEU 63 3HD2 LEU 63 -4.318 5.753 -10.653 424 H LEU 64 H LEU 64 -3.094 7.171 -4.994 425 HA LEU 64 HA LEU 64 -3.930 4.740 -3.946 426 HB2 LEU 64 1HB LEU 64 -1.735 6.057 -3.677 427 HB3 LEU 64 2HB LEU 64 -2.543 6.889 -2.364 428 HG LEU 64 HG LEU 64 -2.882 4.754 -1.192 429 HD11 LEU 64 1HD1 LEU 64 -1.252 2.886 -2.303 430 HD12 LEU 64 2HD1 LEU 64 -3.017 2.953 -2.529 431 HD13 LEU 64 3HD1 LEU 64 -1.935 3.648 -3.760 432 HD21 LEU 64 1HD2 LEU 64 -0.340 6.020 -1.731 433 HD22 LEU 64 2HD2 LEU 64 -0.981 5.347 -0.213 434 HD23 LEU 64 3HD2 LEU 64 -0.122 4.292 -1.363 435 H GLN 65 H GLN 65 -5.339 4.131 -2.303 436 HA GLN 65 HA GLN 65 -6.524 6.004 -0.606 437 HB2 GLN 65 1HB GLN 65 -8.874 5.850 -1.472 438 HB3 GLN 65 2HB GLN 65 -7.801 6.728 -2.543 439 HG2 GLN 65 1HG GLN 65 -7.439 4.367 -3.693 440 HG3 GLN 65 2HG GLN 65 -8.927 3.933 -2.875 441 HE21 GLN 65 1HE2 GLN 65 -7.420 5.948 -5.279 442 HE22 GLN 65 2HE2 GLN 65 -8.852 6.503 -6.080 443 H VAL 66 H VAL 66 -7.940 4.953 0.980 444 HA VAL 66 HA VAL 66 -7.157 2.457 1.724 445 HB VAL 66 HB VAL 66 -9.670 4.038 2.233 446 HG11 VAL 66 1HG1 VAL 66 -10.677 2.226 3.061 447 HG12 VAL 66 2HG1 VAL 66 -9.232 1.226 2.776 448 HG13 VAL 66 3HG1 VAL 66 -9.396 2.141 4.294 449 HG21 VAL 66 1HG2 VAL 66 -8.591 4.236 4.515 450 HG22 VAL 66 2HG2 VAL 66 -7.138 3.491 3.807 451 HG23 VAL 66 3HG2 VAL 66 -7.732 5.050 3.186 452 H GLY 67 H GLY 67 -7.538 0.394 1.065 453 HA2 GLY 67 1HA GLY 67 -9.134 -1.252 0.360 454 HA3 GLY 67 2HA GLY 67 -9.871 -0.058 -0.690 455 H ASP 68 H ASP 68 -7.441 1.134 -1.759 456 HA ASP 68 HA ASP 68 -7.060 -0.288 -3.972 457 HB2 ASP 68 1HB ASP 68 -5.115 1.464 -2.421 458 HB3 ASP 68 2HB ASP 68 -4.688 0.809 -3.989 459 H ARG 69 H ARG 69 -4.900 -1.444 -4.703 460 HA ARG 69 HA ARG 69 -4.044 -3.162 -2.512 461 HB2 ARG 69 1HB ARG 69 -4.380 -3.823 -5.481 462 HB3 ARG 69 2HB ARG 69 -3.662 -4.918 -4.317 463 HG2 ARG 69 1HG ARG 69 -5.852 -5.672 -4.211 464 HG3 ARG 69 2HG ARG 69 -5.931 -4.443 -2.965 465 HD2 ARG 69 1HD ARG 69 -7.787 -3.838 -4.247 466 HD3 ARG 69 2HD ARG 69 -6.563 -2.833 -4.996 467 HE ARG 69 HE ARG 69 -6.605 -4.209 -6.919 468 HH11 ARG 69 2HH2 ARG 69 -8.483 -5.667 -4.325 469 HH12 ARG 69 1HH2 ARG 69 -9.208 -6.861 -5.349 470 HH21 ARG 69 2HH1 ARG 69 -7.562 -5.784 -8.271 471 HH22 ARG 69 1HH1 ARG 69 -8.681 -6.928 -7.609 472 H VAL 70 H VAL 70 -1.770 -4.056 -2.774 473 HA VAL 70 HA VAL 70 -0.110 -2.322 -4.459 474 HB VAL 70 HB VAL 70 0.306 -3.041 -1.552 475 HG11 VAL 70 1HG1 VAL 70 2.444 -1.996 -1.635 476 HG12 VAL 70 2HG1 VAL 70 2.394 -3.150 -2.989 477 HG13 VAL 70 3HG1 VAL 70 2.174 -1.410 -3.293 478 HG21 VAL 70 1HG2 VAL 70 -0.337 -0.478 -3.012 479 HG22 VAL 70 2HG2 VAL 70 -1.151 -1.206 -1.606 480 HG23 VAL 70 3HG2 VAL 70 0.457 -0.465 -1.419 481 H LEU 71 H LEU 71 0.251 -3.890 -6.038 482 HA LEU 71 HA LEU 71 0.694 -6.586 -5.474 483 HB2 LEU 71 1HB LEU 71 1.617 -4.961 -7.848 484 HB3 LEU 71 2HB LEU 71 1.505 -6.708 -7.770 485 HG LEU 71 HG LEU 71 -0.754 -4.701 -7.774 486 HD11 LEU 71 1HD1 LEU 71 -1.189 -6.759 -9.631 487 HD12 LEU 71 2HD1 LEU 71 -0.703 -5.079 -9.960 488 HD13 LEU 71 3HD1 LEU 71 0.536 -6.342 -9.771 489 HD21 LEU 71 1HD2 LEU 71 -2.208 -6.840 -7.706 490 HD22 LEU 71 2HD2 LEU 71 -0.782 -7.597 -6.958 491 HD23 LEU 71 3HD2 LEU 71 -1.554 -6.193 -6.182 492 H SER 72 H SER 72 3.115 -4.043 -6.435 493 HA SER 72 HA SER 72 4.993 -5.486 -4.739 494 HB2 SER 72 1HB SER 72 6.783 -4.840 -6.435 495 HB3 SER 72 2HB SER 72 5.653 -6.068 -6.968 496 HG SER 72 HG SER 72 4.977 -3.359 -7.528 497 H ILE 73 H ILE 73 7.033 -3.969 -4.321 498 HA ILE 73 HA ILE 73 6.120 -1.192 -4.122 499 HB ILE 73 HB ILE 73 7.320 -2.878 -1.925 500 HG12 ILE 73 1HG1 ILE 73 4.687 -1.380 -2.033 501 HG13 ILE 73 2HG1 ILE 73 4.860 -3.095 -2.347 502 HG21 ILE 73 1HG2 ILE 73 6.595 0.017 -1.596 503 HG22 ILE 73 2HG2 ILE 73 7.681 -1.004 -0.624 504 HG23 ILE 73 3HG2 ILE 73 8.191 -0.442 -2.234 505 HD11 ILE 73 1HD1 ILE 73 5.846 -1.802 0.230 506 HD12 ILE 73 2HD1 ILE 73 4.207 -2.470 0.048 507 HD13 ILE 73 3HD1 ILE 73 5.624 -3.537 -0.101 508 H ASN 74 H ASN 74 7.460 -0.046 -5.406 509 HA ASN 74 HA ASN 74 9.307 0.824 -6.161 510 HB2 ASN 74 1HB ASN 74 10.169 -0.202 -3.662 511 HB3 ASN 74 2HB ASN 74 11.356 -0.807 -4.801 512 HD21 ASN 74 1HD2 ASN 74 11.027 1.467 -2.680 513 HD22 ASN 74 2HD2 ASN 74 11.790 2.835 -3.420 514 H GLY 75 H GLY 75 8.206 -2.206 -6.593 515 HA2 GLY 75 1HA GLY 75 8.629 -3.224 -8.738 516 HA3 GLY 75 2HA GLY 75 10.342 -2.939 -8.503 517 H ILE 76 H ILE 76 9.165 -3.696 -5.456 518 HA ILE 76 HA ILE 76 10.009 -6.472 -5.796 519 HB ILE 76 HB ILE 76 9.878 -4.623 -3.421 520 HG12 ILE 76 1HG1 ILE 76 11.792 -4.635 -5.209 521 HG13 ILE 76 2HG1 ILE 76 12.170 -4.540 -3.500 522 HG21 ILE 76 1HG2 ILE 76 9.255 -6.568 -2.368 523 HG22 ILE 76 2HG2 ILE 76 10.115 -7.608 -3.529 524 HG23 ILE 76 3HG2 ILE 76 11.029 -6.699 -2.302 525 HD11 ILE 76 1HD1 ILE 76 12.770 -6.858 -3.381 526 HD12 ILE 76 2HD1 ILE 76 12.012 -7.210 -4.953 527 HD13 ILE 76 3HD1 ILE 76 13.511 -6.253 -4.882 528 H ALA 77 H ALA 77 8.506 -8.046 -5.890 529 HA ALA 77 HA ALA 77 5.770 -7.427 -5.513 530 HB1 ALA 77 1HB ALA 77 6.306 -9.058 -7.148 531 HB2 ALA 77 2HB ALA 77 7.367 -9.951 -6.032 532 HB3 ALA 77 3HB ALA 77 5.603 -9.988 -5.803 533 H THR 78 H THR 78 4.616 -7.374 -3.652 534 HA THR 78 HA THR 78 5.870 -8.031 -1.187 535 HB THR 78 HB THR 78 3.809 -7.153 -0.256 536 HG1 THR 78 1HG THR 78 2.790 -7.518 -2.982 537 HG21 THR 78 1HG2 THR 78 5.134 -5.740 -2.332 538 HG22 THR 78 2HG2 THR 78 3.402 -5.616 -2.724 539 HG23 THR 78 3HG2 THR 78 4.000 -5.053 -1.145 540 H GLU 79 H GLU 79 3.893 -9.799 -3.503 541 HA GLU 79 HA GLU 79 2.972 -11.706 -1.668 542 HB2 GLU 79 1HB GLU 79 3.370 -11.986 -4.679 543 HB3 GLU 79 2HB GLU 79 2.354 -13.004 -3.679 544 HG2 GLU 79 1HG GLU 79 1.510 -10.371 -3.080 545 HG3 GLU 79 2HG GLU 79 1.784 -10.355 -4.811 546 H ASP 80 H ASP 80 6.077 -11.057 -3.009 547 HA ASP 80 HA ASP 80 6.888 -13.820 -2.701 548 HB2 ASP 80 1HB ASP 80 7.528 -12.250 -4.704 549 HB3 ASP 80 2HB ASP 80 8.648 -11.502 -3.583 550 H GLY 81 H GLY 81 6.144 -12.417 -0.312 551 HA2 GLY 81 1HA GLY 81 8.398 -12.765 1.315 552 HA3 GLY 81 2HA GLY 81 8.245 -11.055 0.963 553 H THR 82 H THR 82 7.913 -11.134 3.453 554 HA THR 82 HA THR 82 5.112 -11.767 4.078 555 HB THR 82 HB THR 82 5.880 -12.050 6.342 556 HG1 THR 82 1HG THR 82 8.162 -11.273 6.758 557 HG21 THR 82 1HG2 THR 82 8.458 -12.842 4.979 558 HG22 THR 82 2HG2 THR 82 7.499 -13.741 6.179 559 HG23 THR 82 3HG2 THR 82 6.965 -13.673 4.482 560 H MET 83 H MET 83 3.954 -10.258 5.540 561 HA MET 83 HA MET 83 3.562 -7.883 4.478 562 HB2 MET 83 1HB MET 83 2.611 -9.151 6.668 563 HB3 MET 83 2HB MET 83 3.648 -8.016 7.510 564 HG2 MET 83 1HG MET 83 1.363 -7.340 5.601 565 HG3 MET 83 2HG MET 83 1.424 -7.024 7.323 566 HE1 MET 83 1HE MET 83 1.226 -5.793 4.355 567 HE2 MET 83 2HE MET 83 1.298 -4.109 4.927 568 HE3 MET 83 3HE MET 83 2.577 -4.743 3.865 569 H GLU 84 H GLU 84 5.811 -8.374 7.302 570 HA GLU 84 HA GLU 84 6.697 -5.886 7.618 571 HB2 GLU 84 1HB GLU 84 7.479 -8.387 8.493 572 HB3 GLU 84 2HB GLU 84 8.898 -7.884 7.595 573 HG2 GLU 84 1HG GLU 84 8.001 -5.619 9.137 574 HG3 GLU 84 2HG GLU 84 8.023 -7.007 10.206 575 H GLU 85 H GLU 85 8.224 -8.289 5.345 576 HA GLU 85 HA GLU 85 10.151 -6.842 4.280 577 HB2 GLU 85 1HB GLU 85 8.479 -9.040 3.402 578 HB3 GLU 85 2HB GLU 85 8.830 -8.012 2.027 579 HG2 GLU 85 1HG GLU 85 11.135 -8.622 3.850 580 HG3 GLU 85 2HG GLU 85 10.523 -9.962 2.902 581 H ALA 86 H ALA 86 6.679 -6.651 3.231 582 HA ALA 86 HA ALA 86 7.018 -4.739 1.265 583 HB1 ALA 86 1HB ALA 86 4.731 -4.778 1.188 584 HB2 ALA 86 2HB ALA 86 4.952 -6.198 2.238 585 HB3 ALA 86 3HB ALA 86 4.562 -4.615 2.953 586 H ASN 87 H ASN 87 6.339 -4.350 4.806 587 HA ASN 87 HA ASN 87 6.199 -1.596 4.731 588 HB2 ASN 87 1HB ASN 87 6.693 -3.696 6.832 589 HB3 ASN 87 2HB ASN 87 7.136 -2.057 7.263 590 HD21 ASN 87 1HD2 ASN 87 4.758 -4.253 7.437 591 HD22 ASN 87 2HD2 ASN 87 3.349 -3.250 7.530 592 H GLN 88 H GLN 88 8.912 -3.833 5.710 593 HA GLN 88 HA GLN 88 10.806 -2.023 6.282 594 HB2 GLN 88 1HB GLN 88 11.144 -4.424 6.569 595 HB3 GLN 88 2HB GLN 88 11.095 -4.691 4.838 596 HG2 GLN 88 1HG GLN 88 13.371 -4.524 4.938 597 HG3 GLN 88 2HG GLN 88 13.096 -2.795 5.009 598 HE21 GLN 88 1HE2 GLN 88 13.786 -1.698 6.695 599 HE22 GLN 88 2HE2 GLN 88 14.334 -2.350 8.204 600 H LEU 89 H LEU 89 9.593 -2.974 3.065 601 HA LEU 89 HA LEU 89 11.690 -1.808 1.588 602 HB2 LEU 89 1HB LEU 89 8.886 -2.691 0.982 603 HB3 LEU 89 2HB LEU 89 9.831 -1.835 -0.220 604 HG LEU 89 HG LEU 89 10.872 -4.330 1.124 605 HD11 LEU 89 1HD1 LEU 89 8.604 -4.696 0.045 606 HD12 LEU 89 2HD1 LEU 89 9.389 -4.320 -1.508 607 HD13 LEU 89 3HD1 LEU 89 9.940 -5.713 -0.546 608 HD21 LEU 89 1HD2 LEU 89 12.406 -2.762 -0.148 609 HD22 LEU 89 2HD2 LEU 89 12.394 -4.461 -0.679 610 HD23 LEU 89 3HD2 LEU 89 11.514 -3.230 -1.616 611 H LEU 90 H LEU 90 8.419 -0.632 2.612 612 HA LEU 90 HA LEU 90 8.556 1.833 1.374 613 HB2 LEU 90 1HB LEU 90 7.060 0.644 3.648 614 HB3 LEU 90 2HB LEU 90 7.066 2.392 3.528 615 HG LEU 90 HG LEU 90 5.164 0.997 2.416 616 HD11 LEU 90 1HD1 LEU 90 6.361 3.103 0.633 617 HD12 LEU 90 2HD1 LEU 90 4.656 2.796 1.040 618 HD13 LEU 90 3HD1 LEU 90 5.744 3.516 2.251 619 HD21 LEU 90 1HD2 LEU 90 5.493 0.162 0.257 620 HD22 LEU 90 2HD2 LEU 90 7.064 0.978 0.076 621 HD23 LEU 90 3HD2 LEU 90 6.907 -0.417 1.170 622 H ARG 91 H ARG 91 9.996 0.651 4.424 623 HA ARG 91 HA ARG 91 10.637 3.115 5.467 624 HB2 ARG 91 1HB ARG 91 11.066 0.402 6.131 625 HB3 ARG 91 2HB ARG 91 12.685 1.054 5.982 626 HG2 ARG 91 1HG ARG 91 11.708 3.056 7.441 627 HG3 ARG 91 2HG ARG 91 10.478 1.887 7.880 628 HD2 ARG 91 1HD ARG 91 11.941 0.605 9.126 629 HD3 ARG 91 2HD ARG 91 13.275 0.853 8.017 630 HE ARG 91 HE ARG 91 12.514 3.269 9.504 631 HH11 ARG 91 2HH2 ARG 91 14.520 0.377 9.498 632 HH12 ARG 91 1HH2 ARG 91 15.674 1.021 10.618 633 HH21 ARG 91 2HH1 ARG 91 14.036 4.118 10.982 634 HH22 ARG 91 1HH1 ARG 91 15.397 3.163 11.468 635 H ASP 92 H ASP 92 12.938 0.765 3.889 636 HA ASP 92 HA ASP 92 15.027 2.432 3.626 637 HB2 ASP 92 1HB ASP 92 14.661 -0.092 2.944 638 HB3 ASP 92 2HB ASP 92 14.258 0.554 1.366 639 H ALA 93 H ALA 93 12.068 2.139 1.612 640 HA ALA 93 HA ALA 93 12.960 3.697 -0.552 641 HB1 ALA 93 1HB ALA 93 10.101 3.377 0.423 642 HB2 ALA 93 2HB ALA 93 10.673 3.631 -1.243 643 HB3 ALA 93 3HB ALA 93 10.982 2.082 -0.423 644 H ALA 94 H ALA 94 11.541 4.439 2.642 645 HA ALA 94 HA ALA 94 10.889 7.117 2.069 646 HB1 ALA 94 1HB ALA 94 10.811 5.268 4.281 647 HB2 ALA 94 2HB ALA 94 11.525 6.804 4.829 648 HB3 ALA 94 3HB ALA 94 9.917 6.792 4.067 649 H LEU 95 H LEU 95 13.856 5.437 3.188 650 HA LEU 95 HA LEU 95 15.251 7.790 3.859 651 HB2 LEU 95 1HB LEU 95 16.345 5.095 3.046 652 HB3 LEU 95 2HB LEU 95 17.203 6.357 3.908 653 HG LEU 95 HG LEU 95 14.788 4.858 4.964 654 HD11 LEU 95 1HD1 LEU 95 16.325 3.687 6.426 655 HD12 LEU 95 2HD1 LEU 95 16.783 3.426 4.726 656 HD13 LEU 95 3HD1 LEU 95 17.706 4.570 5.730 657 HD21 LEU 95 1HD2 LEU 95 15.973 7.331 5.774 658 HD22 LEU 95 2HD2 LEU 95 14.613 6.443 6.502 659 HD23 LEU 95 3HD2 LEU 95 16.279 6.108 7.031 660 H ALA 96 H ALA 96 14.246 6.423 0.850 661 HA ALA 96 HA ALA 96 16.410 7.699 -0.617 662 HB1 ALA 96 1HB ALA 96 14.337 5.626 -1.118 663 HB2 ALA 96 2HB ALA 96 14.720 6.683 -2.498 664 HB3 ALA 96 3HB ALA 96 16.010 5.739 -1.714 665 H HIS 97 H HIS 97 13.401 8.500 0.764 666 HA HIS 97 HA HIS 97 12.127 10.281 0.615 667 HB2 HIS 97 1HB HIS 97 14.157 11.396 -1.340 668 HB3 HIS 97 2HB HIS 97 12.916 12.307 -0.504 669 HD1 HIS 97 1HD HIS 97 15.026 13.731 0.415 670 HD2 HIS 97 2HD HIS 97 14.677 9.800 1.838 671 HE1 HIS 97 1HE HIS 97 16.520 13.582 2.479 672 H LYS 98 H LYS 98 12.347 7.946 -1.534 673 HA LYS 98 HA LYS 98 10.075 8.902 -3.020 674 HB2 LYS 98 1HB LYS 98 11.913 9.762 -4.388 675 HB3 LYS 98 2HB LYS 98 12.646 8.172 -4.453 676 HG2 LYS 98 1HG LYS 98 9.769 8.447 -5.325 677 HG3 LYS 98 2HG LYS 98 11.017 9.044 -6.401 678 HD2 LYS 98 1HD LYS 98 11.842 6.450 -5.422 679 HD3 LYS 98 2HD LYS 98 10.186 6.319 -5.980 680 HE2 LYS 98 1HE LYS 98 11.046 6.143 -8.081 681 HE3 LYS 98 2HE LYS 98 11.367 7.863 -7.985 682 HZ1 LYS 98 1HZ LYS 98 13.323 6.533 -8.522 683 HZ2 LYS 98 2HZ LYS 98 13.533 7.400 -7.155 684 HZ3 LYS 98 3HZ LYS 98 13.241 5.795 -7.068 685 H VAL 99 H VAL 99 8.912 7.133 -4.060 686 HA VAL 99 HA VAL 99 9.897 4.475 -3.757 687 HB VAL 99 HB VAL 99 9.255 5.022 -1.437 688 HG11 VAL 99 1HG1 VAL 99 6.488 5.401 -2.628 689 HG12 VAL 99 2HG1 VAL 99 6.837 5.260 -0.889 690 HG13 VAL 99 3HG1 VAL 99 7.486 6.632 -1.818 691 HG21 VAL 99 1HG2 VAL 99 7.791 3.044 -1.080 692 HG22 VAL 99 2HG2 VAL 99 7.527 2.955 -2.838 693 HG23 VAL 99 3HG2 VAL 99 9.159 2.713 -2.169 694 H VAL 100 H VAL 100 8.686 3.007 -5.023 695 HA VAL 100 HA VAL 100 6.532 4.299 -6.550 696 HB VAL 100 HB VAL 100 8.621 2.271 -7.351 697 HG11 VAL 100 1HG1 VAL 100 5.944 2.526 -8.330 698 HG12 VAL 100 2HG1 VAL 100 7.061 3.105 -9.590 699 HG13 VAL 100 3HG1 VAL 100 7.252 1.468 -8.915 700 HG21 VAL 100 1HG2 VAL 100 9.512 3.915 -8.754 701 HG22 VAL 100 2HG2 VAL 100 8.028 4.897 -8.712 702 HG23 VAL 100 3HG2 VAL 100 9.087 4.823 -7.283 703 H LEU 101 H LEU 101 4.548 3.306 -6.606 704 HA LEU 101 HA LEU 101 4.419 0.665 -5.323 705 HB2 LEU 101 1HB LEU 101 2.327 2.832 -5.156 706 HB3 LEU 101 2HB LEU 101 2.324 1.285 -4.334 707 HG LEU 101 HG LEU 101 4.367 3.469 -3.849 708 HD11 LEU 101 1HD1 LEU 101 3.011 3.487 -1.576 709 HD12 LEU 101 2HD1 LEU 101 2.518 4.480 -2.969 710 HD13 LEU 101 3HD1 LEU 101 1.690 2.940 -2.636 711 HD21 LEU 101 1HD2 LEU 101 5.302 2.174 -2.205 712 HD22 LEU 101 2HD2 LEU 101 3.817 1.230 -1.941 713 HD23 LEU 101 3HD2 LEU 101 4.826 0.919 -3.374 714 H GLU 102 H GLU 102 2.979 -0.864 -6.236 715 HA GLU 102 HA GLU 102 1.966 -0.029 -8.843 716 HB2 GLU 102 1HB GLU 102 3.881 -1.554 -9.094 717 HB3 GLU 102 2HB GLU 102 3.138 -2.722 -8.019 718 HG2 GLU 102 1HG GLU 102 1.953 -3.617 -9.732 719 HG3 GLU 102 2HG GLU 102 1.232 -2.061 -10.096 720 H VAL 103 H VAL 103 -0.234 0.092 -8.777 721 HA VAL 103 HA VAL 103 -1.624 -1.695 -6.926 722 HB VAL 103 HB VAL 103 -2.957 0.520 -8.418 723 HG11 VAL 103 1HG1 VAL 103 -3.396 0.281 -5.538 724 HG12 VAL 103 2HG1 VAL 103 -4.563 0.238 -6.882 725 HG13 VAL 103 3HG1 VAL 103 -3.702 -1.245 -6.401 726 HG21 VAL 103 1HG2 VAL 103 -1.244 1.896 -7.785 727 HG22 VAL 103 2HG2 VAL 103 -2.188 1.919 -6.276 728 HG23 VAL 103 3HG2 VAL 103 -0.764 0.861 -6.419 729 H GLU 104 H GLU 104 -3.589 -2.812 -7.676 730 HA GLU 104 HA GLU 104 -3.446 -3.312 -10.548 731 HB2 GLU 104 1HB GLU 104 -2.628 -5.179 -8.926 732 HB3 GLU 104 2HB GLU 104 -4.317 -5.389 -8.510 733 HG2 GLU 104 1HG GLU 104 -4.587 -5.430 -11.199 734 HG3 GLU 104 2HG GLU 104 -2.916 -5.952 -11.116 735 H PHE 105 H PHE 105 -5.402 -3.329 -11.690 736 HA PHE 105 HA PHE 105 -7.892 -3.610 -10.397 737 HB2 PHE 105 1HB PHE 105 -8.588 -1.182 -10.907 738 HB3 PHE 105 2HB PHE 105 -7.430 -1.330 -9.600 739 HD1 PHE 105 1HD PHE 105 -7.467 -0.877 -13.309 740 HD2 PHE 105 2HD PHE 105 -5.602 0.074 -9.618 741 HE1 PHE 105 1HE PHE 105 -5.925 0.708 -14.496 742 HE2 PHE 105 2HE PHE 105 -4.060 1.658 -10.805 743 HZ PHE 105 HZ PHE 105 -4.239 1.956 -13.230 744 H ASP 106 H ASP 106 -9.695 -2.623 -12.071 745 HA ASP 106 HA ASP 106 -8.709 -3.398 -14.705 746 HB2 ASP 106 1HB ASP 106 -11.513 -3.783 -13.553 747 HB3 ASP 106 2HB ASP 106 -10.995 -4.280 -15.152 748 H SER 107 H SER 107 -9.377 -0.770 -12.954 749 HA SER 107 HA SER 107 -10.060 1.253 -13.338 750 HB2 SER 107 1HB SER 107 -8.827 1.201 -15.422 751 HB3 SER 107 2HB SER 107 -10.096 0.302 -16.229 752 HG SER 107 HG SER 107 -10.759 2.837 -15.086 753 H GLY 108 H GLY 108 -12.016 1.052 -12.122 754 HA2 GLY 108 1HA GLY 108 -14.351 1.865 -13.004 755 HA3 GLY 108 2HA GLY 108 -14.424 0.201 -13.550 756 HA PRO 109 HA PRO 109 -15.068 0.632 -8.883 757 HB2 PRO 109 1HB PRO 109 -17.431 1.944 -8.480 758 HB3 PRO 109 2HB PRO 109 -15.867 2.717 -8.322 759 HG2 PRO 109 1HG PRO 109 -17.843 2.963 -10.506 760 HG3 PRO 109 2HG PRO 109 -16.501 4.020 -10.116 761 HD2 PRO 109 1HD PRO 109 -16.610 2.098 -12.242 762 HD3 PRO 109 2HD PRO 109 -15.228 3.071 -11.780 763 H SER 110 H SER 110 -17.557 0.275 -11.310 764 HA SER 110 HA SER 110 -19.137 -1.443 -9.831 765 HB2 SER 110 1HB SER 110 -20.225 -1.963 -11.921 766 HB3 SER 110 2HB SER 110 -19.754 -0.277 -11.990 767 HG SER 110 HG SER 110 -19.230 -1.447 -13.959 768 H SER 111 H SER 111 -18.650 -3.455 -9.042 769 HA SER 111 HA SER 111 -17.805 -5.443 -8.844 770 HB2 SER 111 1HB SER 111 -17.678 -5.150 -11.848 771 HB3 SER 111 2HB SER 111 -16.927 -6.548 -11.105 772 HG SER 111 HG SER 111 -19.103 -7.047 -11.645 773 H GLY 112 H GLY 112 -15.752 -6.505 -8.431 774 HA2 GLY 112 1HA GLY 112 -13.361 -5.061 -9.358 775 HA3 GLY 112 2HA GLY 112 -13.632 -5.277 -7.641 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.768 -4.090 -33.573 2 HA2 GLY 1 1HA GLY 1 6.741 -2.482 -33.038 3 HA3 GLY 1 2HA GLY 1 6.553 -2.067 -34.730 4 H SER 2 H SER 2 6.175 -0.122 -32.738 5 HA SER 2 HA SER 2 3.372 0.421 -33.177 6 HB2 SER 2 1HB SER 2 4.146 -0.556 -30.728 7 HB3 SER 2 2HB SER 2 4.354 1.163 -30.459 8 HG SER 2 HG SER 2 2.224 1.447 -30.448 9 H SER 3 H SER 3 2.871 2.796 -32.804 10 HA SER 3 HA SER 3 5.155 4.494 -32.540 11 HB2 SER 3 1HB SER 3 4.858 5.639 -34.699 12 HB3 SER 3 2HB SER 3 5.227 3.945 -34.953 13 HG SER 3 HG SER 3 2.917 3.557 -35.250 14 H GLY 4 H GLY 4 4.337 6.928 -32.818 15 HA2 GLY 4 1HA GLY 4 2.104 7.234 -31.072 16 HA3 GLY 4 2HA GLY 4 3.037 8.498 -31.847 17 H SER 5 H SER 5 0.694 5.861 -32.747 18 HA SER 5 HA SER 5 -0.749 7.869 -34.254 19 HB2 SER 5 1HB SER 5 0.406 5.293 -35.346 20 HB3 SER 5 2HB SER 5 -1.076 5.933 -36.030 21 HG SER 5 HG SER 5 -0.020 7.736 -36.782 22 H SER 6 H SER 6 -2.964 6.798 -35.042 23 HA SER 6 HA SER 6 -4.470 6.228 -32.947 24 HB2 SER 6 1HB SER 6 -6.088 5.186 -34.500 25 HB3 SER 6 2HB SER 6 -5.352 6.606 -35.217 26 HG SER 6 HG SER 6 -3.745 4.932 -36.152 27 H GLY 7 H GLY 7 -3.976 4.779 -31.318 28 HA2 GLY 7 1HA GLY 7 -4.470 2.162 -31.324 29 HA3 GLY 7 2HA GLY 7 -2.848 2.182 -31.986 30 H GLY 8 H GLY 8 -1.056 2.639 -30.657 31 HA2 GLY 8 1HA GLY 8 -0.332 3.811 -28.609 32 HA3 GLY 8 2HA GLY 8 -1.705 3.078 -27.803 33 H GLY 9 H GLY 9 -1.693 0.826 -27.263 34 HA2 GLY 9 1HA GLY 9 0.811 -0.613 -27.853 35 HA3 GLY 9 2HA GLY 9 0.269 -0.428 -26.196 36 H GLN 10 H GLN 10 0.149 -2.815 -26.118 37 HA GLN 10 HA GLN 10 -2.307 -3.735 -27.397 38 HB2 GLN 10 1HB GLN 10 0.210 -4.703 -27.956 39 HB3 GLN 10 2HB GLN 10 -0.281 -5.795 -26.677 40 HG2 GLN 10 1HG GLN 10 -2.529 -6.018 -28.014 41 HG3 GLN 10 2HG GLN 10 -1.646 -5.302 -29.347 42 HE21 GLN 10 1HE2 GLN 10 -2.138 -7.353 -30.373 43 HE22 GLN 10 2HE2 GLN 10 -1.088 -8.712 -30.146 44 H ILE 11 H ILE 11 -3.112 -2.719 -25.245 45 HA ILE 11 HA ILE 11 -2.499 -3.635 -22.771 46 HB ILE 11 HB ILE 11 -4.043 -1.816 -23.282 47 HG12 ILE 11 1HG1 ILE 11 -5.271 -3.959 -21.521 48 HG13 ILE 11 2HG1 ILE 11 -3.997 -2.856 -21.039 49 HG21 ILE 11 1HG2 ILE 11 -6.268 -3.772 -23.752 50 HG22 ILE 11 2HG2 ILE 11 -6.150 -2.050 -24.188 51 HG23 ILE 11 3HG2 ILE 11 -5.227 -3.266 -25.104 52 HD11 ILE 11 1HD1 ILE 11 -5.413 -0.984 -21.041 53 HD12 ILE 11 2HD1 ILE 11 -6.548 -1.720 -22.197 54 HD13 ILE 11 3HD1 ILE 11 -6.521 -2.269 -20.505 55 H VAL 12 H VAL 12 -2.949 -5.420 -21.482 56 HA VAL 12 HA VAL 12 -4.770 -7.427 -22.379 57 HB VAL 12 HB VAL 12 -2.831 -7.857 -23.833 58 HG11 VAL 12 1HG1 VAL 12 -0.931 -9.032 -22.183 59 HG12 VAL 12 2HG1 VAL 12 -0.793 -7.452 -22.992 60 HG13 VAL 12 3HG1 VAL 12 -1.377 -7.544 -21.313 61 HG21 VAL 12 1HG2 VAL 12 -3.207 -9.999 -21.712 62 HG22 VAL 12 2HG2 VAL 12 -4.314 -9.695 -23.073 63 HG23 VAL 12 3HG2 VAL 12 -2.648 -10.240 -23.385 64 H HIS 13 H HIS 13 -5.005 -9.153 -20.737 65 HA HIS 13 HA HIS 13 -5.365 -9.680 -18.629 66 HB2 HIS 13 1HB HIS 13 -3.383 -9.997 -17.239 67 HB3 HIS 13 2HB HIS 13 -3.117 -10.551 -18.880 68 HD1 HIS 13 1HD HIS 13 -2.357 -7.482 -16.716 69 HD2 HIS 13 2HD HIS 13 -0.868 -9.520 -20.067 70 HE1 HIS 13 1HE HIS 13 -0.152 -6.350 -17.320 71 H THR 14 H THR 14 -4.770 -8.841 -16.134 72 HA THR 14 HA THR 14 -6.264 -6.557 -15.797 73 HB THR 14 HB THR 14 -4.056 -7.361 -13.872 74 HG1 THR 14 1HG THR 14 -4.946 -9.390 -13.887 75 HG21 THR 14 1HG2 THR 14 -5.442 -6.205 -12.465 76 HG22 THR 14 2HG2 THR 14 -6.658 -6.015 -13.752 77 HG23 THR 14 3HG2 THR 14 -6.660 -7.475 -12.734 78 H GLU 15 H GLU 15 -5.289 -4.571 -14.444 79 HA GLU 15 HA GLU 15 -3.159 -3.557 -16.161 80 HB2 GLU 15 1HB GLU 15 -5.615 -2.244 -14.981 81 HB3 GLU 15 2HB GLU 15 -4.212 -1.263 -15.353 82 HG2 GLU 15 1HG GLU 15 -4.836 -3.107 -17.556 83 HG3 GLU 15 2HG GLU 15 -6.214 -2.097 -17.163 84 H THR 16 H THR 16 -1.963 -1.593 -14.991 85 HA THR 16 HA THR 16 -1.780 -1.909 -12.127 86 HB THR 16 HB THR 16 0.805 -2.332 -12.491 87 HG1 THR 16 1HG THR 16 -0.563 -3.242 -14.925 88 HG21 THR 16 1HG2 THR 16 -0.884 -4.064 -11.592 89 HG22 THR 16 2HG2 THR 16 -1.072 -4.615 -13.274 90 HG23 THR 16 3HG2 THR 16 0.509 -4.743 -12.467 91 H THR 17 H THR 17 -1.212 -0.038 -11.141 92 HA THR 17 HA THR 17 -0.278 2.101 -12.941 93 HB THR 17 HB THR 17 -2.704 2.098 -11.872 94 HG1 THR 17 1HG THR 17 -2.002 4.025 -12.803 95 HG21 THR 17 1HG2 THR 17 -0.977 3.185 -9.586 96 HG22 THR 17 2HG2 THR 17 -2.754 3.233 -9.674 97 HG23 THR 17 3HG2 THR 17 -1.913 1.673 -9.507 98 H GLU 18 H GLU 18 1.565 3.163 -12.462 99 HA GLU 18 HA GLU 18 2.901 2.236 -10.062 100 HB2 GLU 18 1HB GLU 18 4.053 2.008 -12.277 101 HB3 GLU 18 2HB GLU 18 4.017 3.750 -12.464 102 HG2 GLU 18 1HG GLU 18 5.544 4.109 -10.676 103 HG3 GLU 18 2HG GLU 18 5.240 2.534 -9.970 104 H VAL 19 H VAL 19 2.910 3.523 -8.274 105 HA VAL 19 HA VAL 19 2.417 6.384 -8.706 106 HB VAL 19 HB VAL 19 1.848 4.517 -6.404 107 HG11 VAL 19 1HG1 VAL 19 1.537 7.539 -6.456 108 HG12 VAL 19 2HG1 VAL 19 1.002 6.448 -5.155 109 HG13 VAL 19 3HG1 VAL 19 2.738 6.629 -5.507 110 HG21 VAL 19 1HG2 VAL 19 -0.473 5.172 -6.771 111 HG22 VAL 19 2HG2 VAL 19 0.022 6.284 -8.069 112 HG23 VAL 19 3HG2 VAL 19 0.230 4.528 -8.274 113 H VAL 20 H VAL 20 3.902 7.892 -8.010 114 HA VAL 20 HA VAL 20 6.295 6.775 -6.719 115 HB VAL 20 HB VAL 20 5.993 9.041 -8.697 116 HG11 VAL 20 1HG1 VAL 20 8.626 8.035 -7.623 117 HG12 VAL 20 2HG1 VAL 20 8.261 9.561 -8.463 118 HG13 VAL 20 3HG1 VAL 20 7.721 9.318 -6.784 119 HG21 VAL 20 1HG2 VAL 20 6.619 6.194 -8.941 120 HG22 VAL 20 2HG2 VAL 20 6.184 7.383 -10.192 121 HG23 VAL 20 3HG2 VAL 20 7.874 7.236 -9.652 122 H LEU 21 H LEU 21 6.176 7.241 -4.575 123 HA LEU 21 HA LEU 21 5.050 9.841 -3.841 124 HB2 LEU 21 1HB LEU 21 5.440 7.263 -2.330 125 HB3 LEU 21 2HB LEU 21 5.053 8.774 -1.531 126 HG LEU 21 HG LEU 21 3.359 7.207 -3.479 127 HD11 LEU 21 1HD1 LEU 21 3.204 6.446 -1.203 128 HD12 LEU 21 2HD1 LEU 21 2.953 8.108 -0.615 129 HD13 LEU 21 3HD1 LEU 21 1.711 7.322 -1.619 130 HD21 LEU 21 1HD2 LEU 21 1.741 9.267 -2.840 131 HD22 LEU 21 2HD2 LEU 21 3.307 10.111 -2.889 132 HD23 LEU 21 3HD2 LEU 21 2.737 9.209 -4.314 133 H CYS 22 H CYS 22 6.201 11.271 -2.444 134 HA CYS 22 HA CYS 22 9.026 10.588 -2.128 135 HB2 CYS 22 1HB CYS 22 9.157 12.023 -3.974 136 HB3 CYS 22 2HB CYS 22 7.859 13.054 -3.405 137 HG CYS 22 HG CYS 22 10.896 13.397 -3.159 138 H GLY 23 H GLY 23 9.974 11.478 -0.187 139 HA2 GLY 23 1HA GLY 23 8.667 13.340 1.479 140 HA3 GLY 23 2HA GLY 23 8.273 11.718 2.013 141 H ASP 24 H ASP 24 9.543 12.717 3.965 142 HA ASP 24 HA ASP 24 12.393 12.534 3.514 143 HB2 ASP 24 1HB ASP 24 10.610 13.909 5.410 144 HB3 ASP 24 2HB ASP 24 11.907 13.076 6.244 145 HA PRO 25 HA PRO 25 12.633 8.755 5.731 146 HB2 PRO 25 1HB PRO 25 14.915 8.962 7.221 147 HB3 PRO 25 2HB PRO 25 14.920 8.607 5.505 148 HG2 PRO 25 1HG PRO 25 15.599 11.136 6.876 149 HG3 PRO 25 2HG PRO 25 15.995 10.631 5.246 150 HD2 PRO 25 1HD PRO 25 13.955 12.494 6.017 151 HD3 PRO 25 2HD PRO 25 14.275 11.901 4.399 152 H LEU 26 H LEU 26 12.313 11.616 7.508 153 HA LEU 26 HA LEU 26 11.752 10.095 9.935 154 HB2 LEU 26 1HB LEU 26 12.643 12.815 9.297 155 HB3 LEU 26 2HB LEU 26 11.397 12.754 10.527 156 HG LEU 26 HG LEU 26 13.668 10.860 10.857 157 HD11 LEU 26 1HD1 LEU 26 14.410 13.344 10.108 158 HD12 LEU 26 2HD1 LEU 26 14.231 13.589 11.862 159 HD13 LEU 26 3HD1 LEU 26 15.332 12.333 11.246 160 HD21 LEU 26 1HD2 LEU 26 11.551 11.480 12.390 161 HD22 LEU 26 2HD2 LEU 26 13.107 10.917 13.047 162 HD23 LEU 26 3HD2 LEU 26 12.726 12.656 13.025 163 H SER 27 H SER 27 10.257 12.454 7.634 164 HA SER 27 HA SER 27 7.735 12.137 8.929 165 HB2 SER 27 1HB SER 27 8.279 14.308 7.987 166 HB3 SER 27 2HB SER 27 8.627 13.610 6.417 167 HG SER 27 HG SER 27 6.271 14.546 7.309 168 H GLY 28 H GLY 28 9.532 10.154 6.960 169 HA2 GLY 28 1HA GLY 28 9.090 8.504 5.490 170 HA3 GLY 28 2HA GLY 28 7.625 8.287 6.426 171 H PHE 29 H PHE 29 5.751 8.361 5.274 172 HA PHE 29 HA PHE 29 5.649 10.227 3.022 173 HB2 PHE 29 1HB PHE 29 4.963 7.245 3.213 174 HB3 PHE 29 2HB PHE 29 4.234 8.244 1.972 175 HD1 PHE 29 1HD PHE 29 6.249 9.870 0.876 176 HD2 PHE 29 2HD PHE 29 6.644 5.922 2.381 177 HE1 PHE 29 1HE PHE 29 8.253 9.511 -0.592 178 HE2 PHE 29 2HE PHE 29 8.648 5.563 0.913 179 HZ PHE 29 HZ PHE 29 9.429 7.361 -0.556 180 H GLY 30 H GLY 30 3.240 7.735 3.901 181 HA2 GLY 30 1HA GLY 30 1.646 8.770 5.740 182 HA3 GLY 30 2HA GLY 30 1.300 9.855 4.408 183 H LEU 31 H LEU 31 1.874 6.273 4.756 184 HA LEU 31 HA LEU 31 -0.792 5.779 3.767 185 HB2 LEU 31 1HB LEU 31 -0.289 4.779 1.782 186 HB3 LEU 31 2HB LEU 31 0.834 6.124 1.792 187 HG LEU 31 HG LEU 31 2.330 4.126 2.961 188 HD11 LEU 31 1HD1 LEU 31 0.198 2.724 1.994 189 HD12 LEU 31 2HD1 LEU 31 1.329 2.642 0.622 190 HD13 LEU 31 3HD1 LEU 31 1.835 2.065 2.228 191 HD21 LEU 31 1HD2 LEU 31 3.693 4.298 1.093 192 HD22 LEU 31 2HD2 LEU 31 2.321 4.497 -0.023 193 HD23 LEU 31 3HD2 LEU 31 2.788 5.830 1.060 194 H GLN 32 H GLN 32 -1.588 3.773 4.447 195 HA GLN 32 HA GLN 32 0.327 2.249 6.038 196 HB2 GLN 32 1HB GLN 32 -2.354 3.325 6.695 197 HB3 GLN 32 2HB GLN 32 -2.160 1.634 7.111 198 HG2 GLN 32 1HG GLN 32 -0.052 3.692 7.871 199 HG3 GLN 32 2HG GLN 32 -1.459 3.423 8.880 200 HE21 GLN 32 1HE2 GLN 32 -1.173 2.074 10.468 201 HE22 GLN 32 2HE2 GLN 32 -0.110 0.707 10.516 202 H LEU 33 H LEU 33 0.510 0.074 5.574 203 HA LEU 33 HA LEU 33 -1.119 -0.894 3.381 204 HB2 LEU 33 1HB LEU 33 1.375 -1.876 4.755 205 HB3 LEU 33 2HB LEU 33 0.497 -2.862 3.602 206 HG LEU 33 HG LEU 33 1.806 -0.183 3.063 207 HD11 LEU 33 1HD1 LEU 33 3.219 -1.536 1.508 208 HD12 LEU 33 2HD1 LEU 33 3.446 -1.919 3.232 209 HD13 LEU 33 3HD1 LEU 33 2.486 -3.004 2.198 210 HD21 LEU 33 1HD2 LEU 33 -0.041 -1.859 1.381 211 HD22 LEU 33 2HD2 LEU 33 -0.049 -0.103 1.669 212 HD23 LEU 33 3HD2 LEU 33 1.200 -0.828 0.629 213 H GLN 34 H GLN 34 -2.162 -3.044 3.485 214 HA GLN 34 HA GLN 34 -2.748 -3.891 6.188 215 HB2 GLN 34 1HB GLN 34 -4.699 -2.682 6.045 216 HB3 GLN 34 2HB GLN 34 -4.681 -2.644 4.293 217 HG2 GLN 34 1HG GLN 34 -5.605 -4.853 4.119 218 HG3 GLN 34 2HG GLN 34 -5.242 -5.231 5.791 219 HE21 GLN 34 1HE2 GLN 34 -7.442 -3.830 3.575 220 HE22 GLN 34 2HE2 GLN 34 -8.689 -3.358 4.680 221 H GLY 35 H GLY 35 -2.097 -6.001 6.173 222 HA2 GLY 35 1HA GLY 35 -2.883 -7.635 3.835 223 HA3 GLY 35 2HA GLY 35 -1.303 -7.755 4.583 224 H GLY 36 H GLY 36 -1.732 -10.032 5.043 225 HA2 GLY 36 1HA GLY 36 -3.409 -10.358 7.451 226 HA3 GLY 36 2HA GLY 36 -3.541 -11.468 6.102 227 H ILE 37 H ILE 37 -2.920 -12.899 8.135 228 HA ILE 37 HA ILE 37 -1.450 -14.219 9.120 229 HB ILE 37 HB ILE 37 0.465 -13.544 6.894 230 HG12 ILE 37 1HG1 ILE 37 -1.108 -15.863 6.301 231 HG13 ILE 37 2HG1 ILE 37 -2.200 -14.533 6.631 232 HG21 ILE 37 1HG2 ILE 37 1.549 -14.912 8.453 233 HG22 ILE 37 2HG2 ILE 37 0.092 -15.891 8.751 234 HG23 ILE 37 3HG2 ILE 37 0.964 -16.039 7.206 235 HD11 ILE 37 1HD1 ILE 37 0.167 -13.856 4.934 236 HD12 ILE 37 2HD1 ILE 37 -1.038 -14.942 4.201 237 HD13 ILE 37 3HD1 ILE 37 -1.528 -13.333 4.784 238 H PHE 38 H PHE 38 0.515 -14.284 10.474 239 HA PHE 38 HA PHE 38 0.885 -12.091 11.973 240 HB2 PHE 38 1HB PHE 38 3.060 -14.091 11.116 241 HB3 PHE 38 2HB PHE 38 3.015 -13.231 12.642 242 HD1 PHE 38 1HD PHE 38 1.360 -13.849 14.366 243 HD2 PHE 38 2HD PHE 38 1.729 -16.058 10.762 244 HE1 PHE 38 1HE PHE 38 0.086 -15.749 15.400 245 HE2 PHE 38 2HE PHE 38 0.455 -17.958 11.795 246 HZ PHE 38 HZ PHE 38 -0.352 -17.780 14.102 247 H ALA 39 H ALA 39 2.507 -10.419 12.175 248 HA ALA 39 HA ALA 39 2.998 -8.958 9.947 249 HB1 ALA 39 1HB ALA 39 3.672 -7.607 11.609 250 HB2 ALA 39 2HB ALA 39 3.792 -8.992 12.722 251 HB3 ALA 39 3HB ALA 39 5.187 -8.535 11.716 252 H THR 40 H THR 40 4.942 -11.651 11.313 253 HA THR 40 HA THR 40 6.760 -11.389 9.014 254 HB THR 40 HB THR 40 7.951 -11.251 11.118 255 HG1 THR 40 1HG THR 40 8.907 -12.760 9.636 256 HG21 THR 40 1HG2 THR 40 5.898 -13.198 11.991 257 HG22 THR 40 2HG2 THR 40 7.550 -13.700 12.425 258 HG23 THR 40 3HG2 THR 40 6.924 -12.128 12.976 259 H GLU 41 H GLU 41 5.808 -12.459 7.344 260 HA GLU 41 HA GLU 41 6.039 -15.108 7.132 261 HB2 GLU 41 1HB GLU 41 3.672 -14.466 8.740 262 HB3 GLU 41 2HB GLU 41 3.234 -15.364 7.300 263 HG2 GLU 41 1HG GLU 41 5.634 -16.345 8.820 264 HG3 GLU 41 2HG GLU 41 4.073 -16.569 9.586 265 H THR 42 H THR 42 5.630 -15.709 4.984 266 HA THR 42 HA THR 42 5.327 -13.823 3.066 267 HB THR 42 HB THR 42 4.341 -16.721 2.943 268 HG1 THR 42 1HG THR 42 6.633 -17.082 2.565 269 HG21 THR 42 1HG2 THR 42 3.956 -15.355 0.855 270 HG22 THR 42 2HG2 THR 42 5.680 -14.913 0.861 271 HG23 THR 42 3HG2 THR 42 5.197 -16.609 0.618 272 H LEU 43 H LEU 43 3.649 -13.107 1.652 273 HA LEU 43 HA LEU 43 1.062 -13.092 3.030 274 HB2 LEU 43 1HB LEU 43 2.400 -11.149 1.158 275 HB3 LEU 43 2HB LEU 43 0.685 -11.077 1.511 276 HG LEU 43 HG LEU 43 2.812 -10.963 3.661 277 HD11 LEU 43 1HD1 LEU 43 1.902 -8.419 3.528 278 HD12 LEU 43 2HD1 LEU 43 3.379 -8.997 2.720 279 HD13 LEU 43 3HD1 LEU 43 1.858 -8.865 1.805 280 HD21 LEU 43 1HD2 LEU 43 1.138 -10.383 5.150 281 HD22 LEU 43 2HD2 LEU 43 0.023 -9.864 3.864 282 HD23 LEU 43 3HD2 LEU 43 0.334 -11.596 4.127 283 H SER 44 H SER 44 -0.649 -14.133 2.143 284 HA SER 44 HA SER 44 -0.189 -15.583 -0.246 285 HB2 SER 44 1HB SER 44 -2.538 -16.398 0.137 286 HB3 SER 44 2HB SER 44 -1.488 -16.616 1.522 287 HG SER 44 HG SER 44 -2.591 -15.127 2.669 288 H SER 45 H SER 45 -1.713 -12.530 0.682 289 HA SER 45 HA SER 45 -2.405 -12.160 -2.117 290 HB2 SER 45 1HB SER 45 -4.591 -11.669 -1.706 291 HB3 SER 45 2HB SER 45 -4.348 -12.572 -0.224 292 HG SER 45 HG SER 45 -5.278 -10.272 -0.127 293 HA PRO 46 HA PRO 46 -0.549 -8.267 -1.536 294 HB2 PRO 46 1HB PRO 46 -1.941 -6.604 -3.198 295 HB3 PRO 46 2HB PRO 46 -0.715 -7.719 -3.766 296 HG2 PRO 46 1HG PRO 46 -3.655 -7.927 -3.988 297 HG3 PRO 46 2HG PRO 46 -2.423 -8.782 -4.894 298 HD2 PRO 46 1HD PRO 46 -4.003 -9.827 -2.740 299 HD3 PRO 46 2HD PRO 46 -2.691 -10.642 -3.570 300 HA PRO 47 HA PRO 47 -2.586 -6.160 1.550 301 HB2 PRO 47 1HB PRO 47 -0.690 -4.291 2.168 302 HB3 PRO 47 2HB PRO 47 -0.664 -5.926 2.797 303 HG2 PRO 47 1HG PRO 47 1.015 -4.726 0.679 304 HG3 PRO 47 2HG PRO 47 1.294 -6.188 1.606 305 HD2 PRO 47 1HD PRO 47 0.371 -6.024 -1.105 306 HD3 PRO 47 2HD PRO 47 0.540 -7.478 -0.141 307 H LEU 48 H LEU 48 -3.909 -4.386 1.971 308 HA LEU 48 HA LEU 48 -3.992 -2.598 -0.354 309 HB2 LEU 48 1HB LEU 48 -6.260 -2.941 1.564 310 HB3 LEU 48 2HB LEU 48 -6.282 -2.437 -0.114 311 HG LEU 48 HG LEU 48 -5.268 -5.107 -0.027 312 HD11 LEU 48 1HD1 LEU 48 -7.715 -4.646 1.682 313 HD12 LEU 48 2HD1 LEU 48 -7.370 -6.205 0.894 314 HD13 LEU 48 3HD1 LEU 48 -6.226 -5.535 2.083 315 HD21 LEU 48 1HD2 LEU 48 -6.898 -5.524 -1.627 316 HD22 LEU 48 2HD2 LEU 48 -8.039 -4.354 -0.922 317 HD23 LEU 48 3HD2 LEU 48 -6.603 -3.777 -1.801 318 H VAL 49 H VAL 49 -4.989 -0.344 0.296 319 HA VAL 49 HA VAL 49 -3.173 0.738 2.215 320 HB VAL 49 HB VAL 49 -5.336 1.851 0.437 321 HG11 VAL 49 1HG1 VAL 49 -3.742 3.970 1.462 322 HG12 VAL 49 2HG1 VAL 49 -5.488 3.698 1.674 323 HG13 VAL 49 3HG1 VAL 49 -4.334 3.032 2.854 324 HG21 VAL 49 1HG2 VAL 49 -3.655 2.511 -0.972 325 HG22 VAL 49 2HG2 VAL 49 -2.469 2.695 0.343 326 HG23 VAL 49 3HG2 VAL 49 -2.884 1.073 -0.261 327 H CYS 50 H CYS 50 -3.595 0.090 4.311 328 HA CYS 50 HA CYS 50 -6.131 -0.317 5.339 329 HB2 CYS 50 1HB CYS 50 -3.745 -0.941 6.254 330 HB3 CYS 50 2HB CYS 50 -3.861 0.593 7.093 331 HG CYS 50 HG CYS 50 -5.176 -0.178 8.895 332 H PHE 51 H PHE 51 -3.883 2.536 5.552 333 HA PHE 51 HA PHE 51 -6.197 4.268 5.688 334 HB2 PHE 51 1HB PHE 51 -5.829 3.931 8.051 335 HB3 PHE 51 2HB PHE 51 -4.096 3.780 7.845 336 HD1 PHE 51 1HD PHE 51 -2.687 5.762 7.662 337 HD2 PHE 51 2HD PHE 51 -6.880 6.113 8.208 338 HE1 PHE 51 1HE PHE 51 -2.402 8.174 8.295 339 HE2 PHE 51 2HE PHE 51 -6.596 8.525 8.842 340 HZ PHE 51 HZ PHE 51 -4.360 9.527 8.878 341 H ILE 52 H ILE 52 -5.400 6.672 5.723 342 HA ILE 52 HA ILE 52 -2.796 6.915 4.434 343 HB ILE 52 HB ILE 52 -5.438 7.724 3.243 344 HG12 ILE 52 1HG1 ILE 52 -3.083 6.190 2.103 345 HG13 ILE 52 2HG1 ILE 52 -4.542 5.461 2.744 346 HG21 ILE 52 1HG2 ILE 52 -2.888 9.141 3.113 347 HG22 ILE 52 2HG2 ILE 52 -3.493 8.656 1.511 348 HG23 ILE 52 3HG2 ILE 52 -4.512 9.643 2.586 349 HD11 ILE 52 1HD1 ILE 52 -5.797 7.046 1.051 350 HD12 ILE 52 2HD1 ILE 52 -4.208 7.153 0.255 351 HD13 ILE 52 3HD1 ILE 52 -5.007 5.573 0.439 352 H GLU 53 H GLU 53 -1.751 8.877 4.864 353 HA GLU 53 HA GLU 53 -2.843 10.255 7.104 354 HB2 GLU 53 1HB GLU 53 -0.226 10.131 5.674 355 HB3 GLU 53 2HB GLU 53 -0.576 11.655 6.465 356 HG2 GLU 53 1HG GLU 53 -1.340 9.880 8.432 357 HG3 GLU 53 2HG GLU 53 -0.054 8.971 7.663 358 HA PRO 54 HA PRO 54 -4.584 13.501 4.789 359 HB2 PRO 54 1HB PRO 54 -5.074 15.284 6.801 360 HB3 PRO 54 2HB PRO 54 -6.132 13.935 6.438 361 HG2 PRO 54 1HG PRO 54 -4.223 14.244 8.674 362 HG3 PRO 54 2HG PRO 54 -5.568 13.131 8.524 363 HD2 PRO 54 1HD PRO 54 -2.786 12.515 8.196 364 HD3 PRO 54 2HD PRO 54 -4.137 11.431 7.933 365 H ASP 55 H ASP 55 -3.860 15.040 3.443 366 HA ASP 55 HA ASP 55 -2.642 16.709 2.751 367 HB2 ASP 55 1HB ASP 55 -2.882 17.463 5.294 368 HB3 ASP 55 2HB ASP 55 -1.195 17.002 5.398 369 H SER 56 H SER 56 -1.713 13.734 3.499 370 HA SER 56 HA SER 56 1.129 14.072 3.531 371 HB2 SER 56 1HB SER 56 1.179 11.912 4.258 372 HB3 SER 56 2HB SER 56 -0.540 12.136 4.517 373 HG SER 56 HG SER 56 -0.841 10.568 3.103 374 HA PRO 57 HA PRO 57 1.803 13.278 -0.709 375 HB2 PRO 57 1HB PRO 57 3.653 11.275 -0.886 376 HB3 PRO 57 2HB PRO 57 4.068 12.930 -0.486 377 HG2 PRO 57 1HG PRO 57 3.913 10.576 1.295 378 HG3 PRO 57 2HG PRO 57 4.718 12.108 1.569 379 HD2 PRO 57 1HD PRO 57 2.219 11.258 2.690 380 HD3 PRO 57 2HD PRO 57 2.966 12.832 2.870 381 H ALA 58 H ALA 58 1.223 10.233 0.930 382 HA ALA 58 HA ALA 58 0.448 8.846 -1.378 383 HB1 ALA 58 1HB ALA 58 0.487 7.195 0.143 384 HB2 ALA 58 2HB ALA 58 0.699 8.401 1.435 385 HB3 ALA 58 3HB ALA 58 -0.937 7.891 0.954 386 H GLU 59 H GLU 59 -1.100 11.324 0.559 387 HA GLU 59 HA GLU 59 -3.709 10.589 -0.400 388 HB2 GLU 59 1HB GLU 59 -3.435 11.418 1.918 389 HB3 GLU 59 2HB GLU 59 -2.774 12.928 1.322 390 HG2 GLU 59 1HG GLU 59 -5.237 13.036 1.926 391 HG3 GLU 59 2HG GLU 59 -4.874 13.556 0.292 392 H ARG 60 H ARG 60 -1.154 13.048 -0.932 393 HA ARG 60 HA ARG 60 -2.645 14.779 -2.459 394 HB2 ARG 60 1HB ARG 60 0.318 14.091 -2.368 395 HB3 ARG 60 2HB ARG 60 -0.275 15.284 -3.506 396 HG2 ARG 60 1HG ARG 60 -1.509 16.040 -1.104 397 HG3 ARG 60 2HG ARG 60 0.072 15.495 -0.579 398 HD2 ARG 60 1HD ARG 60 1.208 17.158 -1.785 399 HD3 ARG 60 2HD ARG 60 -0.048 17.293 -2.999 400 HE ARG 60 HE ARG 60 0.105 18.774 -0.507 401 HH11 ARG 60 2HH2 ARG 60 -2.162 17.418 -2.831 402 HH12 ARG 60 1HH2 ARG 60 -3.426 18.537 -2.444 403 HH21 ARG 60 2HH1 ARG 60 -1.562 20.251 0.004 404 HH22 ARG 60 1HH1 ARG 60 -3.082 20.160 -0.821 405 H CYS 61 H CYS 61 -1.325 11.592 -3.150 406 HA CYS 61 HA CYS 61 -1.079 11.802 -5.919 407 HB2 CYS 61 1HB CYS 61 -0.280 9.940 -4.277 408 HB3 CYS 61 2HB CYS 61 -1.868 9.242 -4.531 409 HG CYS 61 HG CYS 61 -1.378 9.939 -7.332 410 H GLY 62 H GLY 62 -3.819 11.470 -3.698 411 HA2 GLY 62 1HA GLY 62 -6.037 11.636 -4.067 412 HA3 GLY 62 2HA GLY 62 -5.708 12.046 -5.739 413 H LEU 63 H LEU 63 -4.577 9.936 -6.941 414 HA LEU 63 HA LEU 63 -6.640 8.153 -7.314 415 HB2 LEU 63 1HB LEU 63 -5.376 7.560 -9.014 416 HB3 LEU 63 2HB LEU 63 -4.172 8.698 -8.443 417 HG LEU 63 HG LEU 63 -3.288 6.744 -6.995 418 HD11 LEU 63 1HD1 LEU 63 -4.334 4.876 -9.042 419 HD12 LEU 63 2HD1 LEU 63 -3.991 4.624 -7.314 420 HD13 LEU 63 3HD1 LEU 63 -5.497 5.431 -7.814 421 HD21 LEU 63 1HD2 LEU 63 -3.005 6.894 -10.000 422 HD22 LEU 63 2HD2 LEU 63 -1.949 7.592 -8.749 423 HD23 LEU 63 3HD2 LEU 63 -2.008 5.828 -8.981 424 H LEU 64 H LEU 64 -3.904 8.093 -5.012 425 HA LEU 64 HA LEU 64 -4.379 5.405 -4.215 426 HB2 LEU 64 1HB LEU 64 -2.291 7.071 -4.024 427 HB3 LEU 64 2HB LEU 64 -2.981 7.327 -2.433 428 HG LEU 64 HG LEU 64 -2.543 4.514 -3.375 429 HD11 LEU 64 1HD1 LEU 64 -0.296 4.507 -3.212 430 HD12 LEU 64 2HD1 LEU 64 -0.466 6.227 -3.637 431 HD13 LEU 64 3HD1 LEU 64 -0.271 5.746 -1.934 432 HD21 LEU 64 1HD2 LEU 64 -2.008 4.238 -0.920 433 HD22 LEU 64 2HD2 LEU 64 -2.538 5.923 -0.700 434 HD23 LEU 64 3HD2 LEU 64 -3.683 4.702 -1.306 435 H GLN 65 H GLN 65 -5.679 4.589 -2.608 436 HA GLN 65 HA GLN 65 -6.708 6.240 -0.586 437 HB2 GLN 65 1HB GLN 65 -9.097 6.183 -1.205 438 HB3 GLN 65 2HB GLN 65 -8.165 7.060 -2.402 439 HG2 GLN 65 1HG GLN 65 -8.026 4.860 -3.736 440 HG3 GLN 65 2HG GLN 65 -9.198 4.198 -2.614 441 HE21 GLN 65 1HE2 GLN 65 -9.486 4.580 -5.432 442 HE22 GLN 65 2HE2 GLN 65 -10.816 5.654 -5.709 443 H VAL 66 H VAL 66 -8.046 4.980 0.967 444 HA VAL 66 HA VAL 66 -7.084 2.506 1.488 445 HB VAL 66 HB VAL 66 -9.757 3.758 2.117 446 HG11 VAL 66 1HG1 VAL 66 -8.954 1.734 4.019 447 HG12 VAL 66 2HG1 VAL 66 -10.476 1.894 3.111 448 HG13 VAL 66 3HG1 VAL 66 -9.098 1.029 2.392 449 HG21 VAL 66 1HG2 VAL 66 -7.252 3.409 3.800 450 HG22 VAL 66 2HG2 VAL 66 -7.743 4.910 2.979 451 HG23 VAL 66 3HG2 VAL 66 -8.750 4.239 4.284 452 H GLY 67 H GLY 67 -7.364 0.441 0.751 453 HA2 GLY 67 1HA GLY 67 -8.876 -1.233 -0.086 454 HA3 GLY 67 2HA GLY 67 -9.609 -0.020 -1.116 455 H ASP 68 H ASP 68 -7.020 1.274 -1.859 456 HA ASP 68 HA ASP 68 -6.527 -0.060 -4.163 457 HB2 ASP 68 1HB ASP 68 -4.802 1.799 -2.483 458 HB3 ASP 68 2HB ASP 68 -4.226 1.189 -4.021 459 H ARG 69 H ARG 69 -5.182 -1.817 -4.742 460 HA ARG 69 HA ARG 69 -4.028 -3.243 -2.554 461 HB2 ARG 69 1HB ARG 69 -4.830 -3.811 -5.356 462 HB3 ARG 69 2HB ARG 69 -3.352 -4.630 -4.890 463 HG2 ARG 69 1HG ARG 69 -4.537 -6.150 -3.700 464 HG3 ARG 69 2HG ARG 69 -5.198 -4.877 -2.693 465 HD2 ARG 69 1HD ARG 69 -7.204 -5.548 -3.596 466 HD3 ARG 69 2HD ARG 69 -6.731 -4.520 -4.934 467 HE ARG 69 HE ARG 69 -5.524 -6.924 -5.563 468 HH11 ARG 69 2HH2 ARG 69 -8.819 -6.020 -4.719 469 HH12 ARG 69 1HH2 ARG 69 -9.541 -7.292 -5.647 470 HH21 ARG 69 2HH1 ARG 69 -6.477 -8.601 -6.789 471 HH22 ARG 69 1HH1 ARG 69 -8.201 -8.769 -6.833 472 H VAL 70 H VAL 70 -1.738 -4.237 -2.871 473 HA VAL 70 HA VAL 70 -0.001 -2.445 -4.395 474 HB VAL 70 HB VAL 70 0.221 -3.128 -1.461 475 HG11 VAL 70 1HG1 VAL 70 2.418 -3.426 -2.468 476 HG12 VAL 70 2HG1 VAL 70 2.292 -1.843 -3.274 477 HG13 VAL 70 3HG1 VAL 70 2.390 -1.933 -1.499 478 HG21 VAL 70 1HG2 VAL 70 0.101 -0.469 -2.926 479 HG22 VAL 70 2HG2 VAL 70 -1.214 -1.209 -1.981 480 HG23 VAL 70 3HG2 VAL 70 0.282 -0.686 -1.169 481 H LEU 71 H LEU 71 0.253 -4.116 -5.949 482 HA LEU 71 HA LEU 71 0.768 -6.769 -5.308 483 HB2 LEU 71 1HB LEU 71 1.626 -5.184 -7.733 484 HB3 LEU 71 2HB LEU 71 1.599 -6.932 -7.609 485 HG LEU 71 HG LEU 71 -0.766 -5.047 -7.615 486 HD11 LEU 71 1HD1 LEU 71 -1.154 -7.053 -9.491 487 HD12 LEU 71 2HD1 LEU 71 -0.621 -5.385 -9.810 488 HD13 LEU 71 3HD1 LEU 71 0.583 -6.681 -9.614 489 HD21 LEU 71 1HD2 LEU 71 -0.553 -7.837 -6.615 490 HD22 LEU 71 2HD2 LEU 71 -1.656 -6.522 -6.144 491 HD23 LEU 71 3HD2 LEU 71 -1.959 -7.446 -7.635 492 H SER 72 H SER 72 3.119 -4.163 -6.263 493 HA SER 72 HA SER 72 5.040 -5.564 -4.583 494 HB2 SER 72 1HB SER 72 6.799 -4.808 -6.320 495 HB3 SER 72 2HB SER 72 5.781 -6.168 -6.749 496 HG SER 72 HG SER 72 4.974 -3.507 -7.470 497 H ILE 73 H ILE 73 6.972 -4.046 -4.025 498 HA ILE 73 HA ILE 73 6.126 -1.247 -4.027 499 HB ILE 73 HB ILE 73 7.021 -2.802 -1.597 500 HG12 ILE 73 1HG1 ILE 73 4.356 -1.468 -2.150 501 HG13 ILE 73 2HG1 ILE 73 4.656 -3.183 -2.346 502 HG21 ILE 73 1HG2 ILE 73 6.218 0.111 -1.744 503 HG22 ILE 73 2HG2 ILE 73 6.883 -0.779 -0.354 504 HG23 ILE 73 3HG2 ILE 73 7.906 -0.454 -1.774 505 HD11 ILE 73 1HD1 ILE 73 5.253 -3.402 0.035 506 HD12 ILE 73 2HD1 ILE 73 5.079 -1.645 0.258 507 HD13 ILE 73 3HD1 ILE 73 3.652 -2.639 -0.120 508 H ASN 74 H ASN 74 7.677 -0.197 -5.143 509 HA ASN 74 HA ASN 74 9.662 0.616 -5.571 510 HB2 ASN 74 1HB ASN 74 10.166 -0.571 -3.059 511 HB3 ASN 74 2HB ASN 74 11.402 -1.266 -4.089 512 HD21 ASN 74 1HD2 ASN 74 11.345 0.803 -1.886 513 HD22 ASN 74 2HD2 ASN 74 12.226 2.162 -2.502 514 H GLY 75 H GLY 75 8.453 -2.405 -6.160 515 HA2 GLY 75 1HA GLY 75 8.990 -3.331 -8.341 516 HA3 GLY 75 2HA GLY 75 10.688 -3.147 -7.952 517 H ILE 76 H ILE 76 9.331 -3.946 -5.027 518 HA ILE 76 HA ILE 76 9.980 -6.763 -5.445 519 HB ILE 76 HB ILE 76 9.780 -5.103 -2.930 520 HG12 ILE 76 1HG1 ILE 76 11.696 -4.624 -4.524 521 HG13 ILE 76 2HG1 ILE 76 12.130 -5.045 -2.879 522 HG21 ILE 76 1HG2 ILE 76 11.052 -7.228 -2.054 523 HG22 ILE 76 2HG2 ILE 76 9.274 -7.194 -2.131 524 HG23 ILE 76 3HG2 ILE 76 10.204 -8.030 -3.398 525 HD11 ILE 76 1HD1 ILE 76 12.914 -6.359 -5.311 526 HD12 ILE 76 2HD1 ILE 76 13.374 -6.772 -3.642 527 HD13 ILE 76 3HD1 ILE 76 11.923 -7.500 -4.371 528 H ALA 77 H ALA 77 8.426 -8.306 -5.461 529 HA ALA 77 HA ALA 77 5.705 -7.482 -5.247 530 HB1 ALA 77 1HB ALA 77 6.763 -9.246 -6.807 531 HB2 ALA 77 2HB ALA 77 6.747 -10.325 -5.391 532 HB3 ALA 77 3HB ALA 77 5.220 -9.668 -6.026 533 H THR 78 H THR 78 4.415 -7.483 -3.467 534 HA THR 78 HA THR 78 5.543 -8.194 -0.948 535 HB THR 78 HB THR 78 3.488 -7.239 -0.100 536 HG1 THR 78 1HG THR 78 2.572 -7.646 -2.860 537 HG21 THR 78 1HG2 THR 78 3.780 -5.149 -0.982 538 HG22 THR 78 2HG2 THR 78 4.915 -5.874 -2.145 539 HG23 THR 78 3HG2 THR 78 3.197 -5.692 -2.574 540 H GLU 79 H GLU 79 3.484 -9.812 -3.338 541 HA GLU 79 HA GLU 79 2.482 -11.728 -1.573 542 HB2 GLU 79 1HB GLU 79 2.871 -11.753 -4.596 543 HB3 GLU 79 2HB GLU 79 2.025 -13.018 -3.727 544 HG2 GLU 79 1HG GLU 79 1.152 -10.217 -3.121 545 HG3 GLU 79 2HG GLU 79 0.794 -10.792 -4.737 546 H ASP 80 H ASP 80 5.610 -11.240 -3.031 547 HA ASP 80 HA ASP 80 6.295 -14.016 -2.519 548 HB2 ASP 80 1HB ASP 80 6.848 -12.539 -4.712 549 HB3 ASP 80 2HB ASP 80 8.224 -12.048 -3.743 550 H GLY 81 H GLY 81 5.911 -11.571 -0.594 551 HA2 GLY 81 1HA GLY 81 8.464 -11.921 0.824 552 HA3 GLY 81 2HA GLY 81 7.883 -10.302 0.489 553 H THR 82 H THR 82 8.002 -10.308 2.991 554 HA THR 82 HA THR 82 5.481 -11.390 4.068 555 HB THR 82 HB THR 82 6.835 -11.176 6.283 556 HG1 THR 82 1HG THR 82 8.845 -10.332 5.912 557 HG21 THR 82 1HG2 THR 82 6.701 -13.290 4.476 558 HG22 THR 82 2HG2 THR 82 8.456 -13.023 4.606 559 HG23 THR 82 3HG2 THR 82 7.498 -13.373 6.065 560 H MET 83 H MET 83 4.267 -10.086 5.548 561 HA MET 83 HA MET 83 3.657 -7.661 4.725 562 HB2 MET 83 1HB MET 83 2.883 -9.207 6.809 563 HB3 MET 83 2HB MET 83 3.837 -8.059 7.727 564 HG2 MET 83 1HG MET 83 1.432 -7.452 5.949 565 HG3 MET 83 2HG MET 83 1.546 -7.242 7.686 566 HE1 MET 83 1HE MET 83 1.137 -5.835 4.785 567 HE2 MET 83 2HE MET 83 1.518 -4.117 5.051 568 HE3 MET 83 3HE MET 83 2.662 -5.156 4.168 569 H GLU 84 H GLU 84 6.022 -8.236 7.435 570 HA GLU 84 HA GLU 84 6.710 -5.666 7.878 571 HB2 GLU 84 1HB GLU 84 7.635 -8.195 8.662 572 HB3 GLU 84 2HB GLU 84 9.051 -7.453 7.943 573 HG2 GLU 84 1HG GLU 84 7.826 -5.414 9.519 574 HG3 GLU 84 2HG GLU 84 7.775 -6.866 10.499 575 H GLU 85 H GLU 85 8.386 -7.958 5.599 576 HA GLU 85 HA GLU 85 10.272 -6.336 4.636 577 HB2 GLU 85 1HB GLU 85 8.555 -8.410 3.234 578 HB3 GLU 85 2HB GLU 85 9.856 -7.597 2.387 579 HG2 GLU 85 1HG GLU 85 10.607 -8.652 5.071 580 HG3 GLU 85 2HG GLU 85 10.160 -9.885 3.909 581 H ALA 86 H ALA 86 6.854 -6.532 3.422 582 HA ALA 86 HA ALA 86 7.053 -4.673 1.410 583 HB1 ALA 86 1HB ALA 86 5.056 -5.863 1.472 584 HB2 ALA 86 2HB ALA 86 4.859 -5.649 3.228 585 HB3 ALA 86 3HB ALA 86 4.535 -4.291 2.123 586 H ASN 87 H ASN 87 6.378 -4.185 4.933 587 HA ASN 87 HA ASN 87 5.989 -1.455 4.732 588 HB2 ASN 87 1HB ASN 87 6.676 -3.403 6.927 589 HB3 ASN 87 2HB ASN 87 6.954 -1.708 7.275 590 HD21 ASN 87 1HD2 ASN 87 4.825 -4.087 7.653 591 HD22 ASN 87 2HD2 ASN 87 3.316 -3.236 7.671 592 H GLN 88 H GLN 88 8.893 -3.479 5.572 593 HA GLN 88 HA GLN 88 10.631 -1.444 6.103 594 HB2 GLN 88 1HB GLN 88 11.392 -3.600 6.642 595 HB3 GLN 88 2HB GLN 88 10.944 -4.267 5.085 596 HG2 GLN 88 1HG GLN 88 13.399 -4.053 5.248 597 HG3 GLN 88 2HG GLN 88 12.781 -3.006 3.985 598 HE21 GLN 88 1HE2 GLN 88 12.899 -2.746 7.536 599 HE22 GLN 88 2HE2 GLN 88 13.742 -1.235 7.618 600 H LEU 89 H LEU 89 9.662 -2.893 2.956 601 HA LEU 89 HA LEU 89 11.582 -1.680 1.368 602 HB2 LEU 89 1HB LEU 89 8.785 -2.664 0.874 603 HB3 LEU 89 2HB LEU 89 9.721 -1.914 -0.404 604 HG LEU 89 HG LEU 89 10.735 -4.293 1.164 605 HD11 LEU 89 1HD1 LEU 89 8.973 -4.226 -1.285 606 HD12 LEU 89 2HD1 LEU 89 10.033 -5.606 -0.911 607 HD13 LEU 89 3HD1 LEU 89 8.751 -5.133 0.231 608 HD21 LEU 89 1HD2 LEU 89 12.333 -4.553 -0.559 609 HD22 LEU 89 2HD2 LEU 89 11.506 -3.380 -1.612 610 HD23 LEU 89 3HD2 LEU 89 12.336 -2.824 -0.138 611 H LEU 90 H LEU 90 8.586 -0.429 2.838 612 HA LEU 90 HA LEU 90 8.556 1.940 1.262 613 HB2 LEU 90 1HB LEU 90 6.939 0.655 3.277 614 HB3 LEU 90 2HB LEU 90 7.142 2.354 3.655 615 HG LEU 90 HG LEU 90 5.910 1.120 1.192 616 HD11 LEU 90 1HD1 LEU 90 4.623 3.349 2.656 617 HD12 LEU 90 2HD1 LEU 90 3.927 1.863 1.965 618 HD13 LEU 90 3HD1 LEU 90 4.761 1.808 3.537 619 HD21 LEU 90 1HD2 LEU 90 5.693 3.864 0.860 620 HD22 LEU 90 2HD2 LEU 90 7.382 3.629 1.371 621 HD23 LEU 90 3HD2 LEU 90 6.754 2.763 -0.051 622 H ARG 91 H ARG 91 9.984 0.908 4.373 623 HA ARG 91 HA ARG 91 10.589 3.430 5.302 624 HB2 ARG 91 1HB ARG 91 11.142 0.695 6.018 625 HB3 ARG 91 2HB ARG 91 12.672 1.550 6.048 626 HG2 ARG 91 1HG ARG 91 11.619 3.326 7.498 627 HG3 ARG 91 2HG ARG 91 10.129 2.404 7.511 628 HD2 ARG 91 1HD ARG 91 11.160 0.562 8.699 629 HD3 ARG 91 2HD ARG 91 12.773 1.187 8.418 630 HE ARG 91 HE ARG 91 10.886 2.082 10.474 631 HH11 ARG 91 2HH2 ARG 91 13.722 2.959 8.585 632 HH12 ARG 91 1HH2 ARG 91 14.275 4.139 9.726 633 HH21 ARG 91 2HH1 ARG 91 11.615 3.638 11.980 634 HH22 ARG 91 1HH1 ARG 91 13.069 4.527 11.671 635 H ASP 92 H ASP 92 12.772 1.008 3.663 636 HA ASP 92 HA ASP 92 14.965 2.539 3.437 637 HB2 ASP 92 1HB ASP 92 14.425 0.089 2.636 638 HB3 ASP 92 2HB ASP 92 14.007 0.838 1.107 639 H ALA 93 H ALA 93 12.207 2.241 1.072 640 HA ALA 93 HA ALA 93 13.080 3.929 -0.879 641 HB1 ALA 93 1HB ALA 93 10.222 3.794 0.146 642 HB2 ALA 93 2HB ALA 93 10.773 4.095 -1.520 643 HB3 ALA 93 3HB ALA 93 10.985 2.486 -0.789 644 H ALA 94 H ALA 94 11.326 4.770 2.178 645 HA ALA 94 HA ALA 94 11.057 7.472 1.720 646 HB1 ALA 94 1HB ALA 94 10.014 7.147 3.683 647 HB2 ALA 94 2HB ALA 94 10.850 5.593 3.914 648 HB3 ALA 94 3HB ALA 94 11.606 7.103 4.477 649 H LEU 95 H LEU 95 13.836 5.605 3.080 650 HA LEU 95 HA LEU 95 15.390 7.834 3.722 651 HB2 LEU 95 1HB LEU 95 16.373 5.099 2.910 652 HB3 LEU 95 2HB LEU 95 17.209 6.284 3.895 653 HG LEU 95 HG LEU 95 14.675 4.811 4.670 654 HD11 LEU 95 1HD1 LEU 95 16.670 3.371 4.602 655 HD12 LEU 95 2HD1 LEU 95 17.504 4.488 5.709 656 HD13 LEU 95 3HD1 LEU 95 16.060 3.604 6.258 657 HD21 LEU 95 1HD2 LEU 95 16.157 7.079 5.917 658 HD22 LEU 95 2HD2 LEU 95 14.415 6.713 5.895 659 HD23 LEU 95 3HD2 LEU 95 15.499 5.818 6.988 660 H ALA 96 H ALA 96 14.395 6.538 0.676 661 HA ALA 96 HA ALA 96 16.680 7.715 -0.701 662 HB1 ALA 96 1HB ALA 96 16.323 5.845 -1.916 663 HB2 ALA 96 2HB ALA 96 14.706 5.599 -1.213 664 HB3 ALA 96 3HB ALA 96 14.917 6.697 -2.598 665 H HIS 97 H HIS 97 13.541 8.518 0.448 666 HA HIS 97 HA HIS 97 12.382 10.383 0.268 667 HB2 HIS 97 1HB HIS 97 14.299 11.441 -1.813 668 HB3 HIS 97 2HB HIS 97 13.237 12.352 -0.758 669 HD1 HIS 97 1HD HIS 97 16.419 12.668 -0.953 670 HD2 HIS 97 2HD HIS 97 14.303 10.617 2.031 671 HE1 HIS 97 1HE HIS 97 17.946 12.605 1.091 672 H LYS 98 H LYS 98 12.568 7.946 -1.779 673 HA LYS 98 HA LYS 98 10.313 8.874 -3.308 674 HB2 LYS 98 1HB LYS 98 12.295 9.610 -4.647 675 HB3 LYS 98 2HB LYS 98 12.798 7.936 -4.770 676 HG2 LYS 98 1HG LYS 98 10.173 7.714 -5.559 677 HG3 LYS 98 2HG LYS 98 10.524 9.340 -6.110 678 HD2 LYS 98 1HD LYS 98 11.594 8.477 -7.909 679 HD3 LYS 98 2HD LYS 98 12.796 7.782 -6.840 680 HE2 LYS 98 1HE LYS 98 10.463 6.108 -6.676 681 HE3 LYS 98 2HE LYS 98 10.747 6.424 -8.376 682 HZ1 LYS 98 1HZ LYS 98 13.162 5.881 -7.759 683 HZ2 LYS 98 2HZ LYS 98 12.517 5.146 -6.451 684 HZ3 LYS 98 3HZ LYS 98 12.100 4.655 -7.952 685 H VAL 99 H VAL 99 9.032 7.124 -4.104 686 HA VAL 99 HA VAL 99 10.013 4.446 -3.667 687 HB VAL 99 HB VAL 99 9.166 5.305 -1.450 688 HG11 VAL 99 1HG1 VAL 99 6.362 4.825 -2.096 689 HG12 VAL 99 2HG1 VAL 99 7.115 6.162 -1.195 690 HG13 VAL 99 3HG1 VAL 99 7.021 6.228 -2.971 691 HG21 VAL 99 1HG2 VAL 99 9.071 2.822 -2.554 692 HG22 VAL 99 2HG2 VAL 99 8.618 3.187 -0.872 693 HG23 VAL 99 3HG2 VAL 99 7.360 3.056 -2.124 694 H VAL 100 H VAL 100 8.759 2.870 -4.810 695 HA VAL 100 HA VAL 100 6.733 4.075 -6.566 696 HB VAL 100 HB VAL 100 8.827 1.987 -7.202 697 HG11 VAL 100 1HG1 VAL 100 6.278 2.197 -8.299 698 HG12 VAL 100 2HG1 VAL 100 7.315 3.064 -9.457 699 HG13 VAL 100 3HG1 VAL 100 7.680 1.376 -9.025 700 HG21 VAL 100 1HG2 VAL 100 8.529 4.911 -7.846 701 HG22 VAL 100 2HG2 VAL 100 9.967 4.004 -7.317 702 HG23 VAL 100 3HG2 VAL 100 9.367 3.829 -8.984 703 H LEU 101 H LEU 101 4.777 3.030 -6.680 704 HA LEU 101 HA LEU 101 4.649 0.406 -5.369 705 HB2 LEU 101 1HB LEU 101 2.351 2.289 -5.165 706 HB3 LEU 101 2HB LEU 101 2.834 0.980 -4.105 707 HG LEU 101 HG LEU 101 3.144 3.029 -2.930 708 HD11 LEU 101 1HD1 LEU 101 5.100 2.448 -2.022 709 HD12 LEU 101 2HD1 LEU 101 5.151 1.176 -3.265 710 HD13 LEU 101 3HD1 LEU 101 5.993 2.720 -3.538 711 HD21 LEU 101 1HD2 LEU 101 3.521 4.213 -5.351 712 HD22 LEU 101 2HD2 LEU 101 3.856 4.981 -3.780 713 HD23 LEU 101 3HD2 LEU 101 5.178 4.222 -4.700 714 H GLU 102 H GLU 102 2.934 -1.006 -6.171 715 HA GLU 102 HA GLU 102 1.932 -0.141 -8.764 716 HB2 GLU 102 1HB GLU 102 3.848 -1.592 -9.208 717 HB3 GLU 102 2HB GLU 102 3.246 -2.809 -8.101 718 HG2 GLU 102 1HG GLU 102 1.951 -3.728 -9.720 719 HG3 GLU 102 2HG GLU 102 1.162 -2.193 -10.024 720 H VAL 103 H VAL 103 -0.270 -0.183 -8.728 721 HA VAL 103 HA VAL 103 -1.540 -1.976 -6.800 722 HB VAL 103 HB VAL 103 -2.954 0.153 -8.362 723 HG11 VAL 103 1HG1 VAL 103 -4.617 -0.387 -6.980 724 HG12 VAL 103 2HG1 VAL 103 -3.580 -1.610 -6.207 725 HG13 VAL 103 3HG1 VAL 103 -3.611 0.056 -5.579 726 HG21 VAL 103 1HG2 VAL 103 -2.364 1.771 -6.521 727 HG22 VAL 103 2HG2 VAL 103 -1.112 0.619 -5.998 728 HG23 VAL 103 3HG2 VAL 103 -1.022 1.357 -7.615 729 H GLU 104 H GLU 104 -3.521 -3.152 -7.502 730 HA GLU 104 HA GLU 104 -3.305 -3.827 -10.333 731 HB2 GLU 104 1HB GLU 104 -2.559 -5.580 -8.551 732 HB3 GLU 104 2HB GLU 104 -4.266 -5.757 -8.195 733 HG2 GLU 104 1HG GLU 104 -4.728 -6.341 -10.565 734 HG3 GLU 104 2HG GLU 104 -3.042 -6.090 -10.975 735 H PHE 105 H PHE 105 -5.187 -3.749 -11.546 736 HA PHE 105 HA PHE 105 -7.738 -4.087 -10.443 737 HB2 PHE 105 1HB PHE 105 -8.462 -1.670 -10.693 738 HB3 PHE 105 2HB PHE 105 -7.245 -1.855 -9.446 739 HD1 PHE 105 1HD PHE 105 -7.478 -1.140 -13.105 740 HD2 PHE 105 2HD PHE 105 -5.452 -0.403 -9.450 741 HE1 PHE 105 1HE PHE 105 -6.049 0.579 -14.245 742 HE2 PHE 105 2HE PHE 105 -4.022 1.317 -10.590 743 HZ PHE 105 HZ PHE 105 -4.338 1.787 -12.974 744 H ASP 106 H ASP 106 -9.488 -3.324 -12.111 745 HA ASP 106 HA ASP 106 -8.371 -3.957 -14.707 746 HB2 ASP 106 1HB ASP 106 -11.333 -3.703 -14.242 747 HB3 ASP 106 2HB ASP 106 -10.469 -4.833 -15.266 748 H SER 107 H SER 107 -7.908 -2.129 -15.946 749 HA SER 107 HA SER 107 -9.382 0.280 -15.400 750 HB2 SER 107 1HB SER 107 -6.754 -0.149 -15.974 751 HB3 SER 107 2HB SER 107 -7.343 0.176 -17.592 752 HG SER 107 HG SER 107 -7.439 2.252 -17.108 753 H GLY 108 H GLY 108 -11.474 -0.517 -16.250 754 HA2 GLY 108 1HA GLY 108 -11.797 0.117 -19.031 755 HA3 GLY 108 2HA GLY 108 -11.987 -1.594 -18.704 756 HA PRO 109 HA PRO 109 -15.959 0.457 -17.783 757 HB2 PRO 109 1HB PRO 109 -17.519 -0.848 -19.608 758 HB3 PRO 109 2HB PRO 109 -16.805 0.724 -19.907 759 HG2 PRO 109 1HG PRO 109 -15.994 -1.912 -20.970 760 HG3 PRO 109 2HG PRO 109 -15.587 -0.316 -21.567 761 HD2 PRO 109 1HD PRO 109 -13.891 -2.067 -20.056 762 HD3 PRO 109 2HD PRO 109 -13.526 -0.427 -20.552 763 H SER 110 H SER 110 -14.908 -1.118 -16.012 764 HA SER 110 HA SER 110 -15.199 -2.839 -14.689 765 HB2 SER 110 1HB SER 110 -17.023 -1.373 -13.949 766 HB3 SER 110 2HB SER 110 -18.104 -2.038 -15.158 767 HG SER 110 HG SER 110 -18.621 -3.147 -13.302 768 H SER 111 H SER 111 -14.369 -4.412 -16.311 769 HA SER 111 HA SER 111 -16.526 -6.164 -17.198 770 HB2 SER 111 1HB SER 111 -15.140 -6.762 -19.163 771 HB3 SER 111 2HB SER 111 -15.516 -5.050 -19.144 772 HG SER 111 HG SER 111 -13.113 -5.823 -17.842 773 H GLY 112 H GLY 112 -16.295 -8.350 -16.659 774 HA2 GLY 112 1HA GLY 112 -15.032 -10.260 -16.173 775 HA3 GLY 112 2HA GLY 112 -13.683 -9.258 -15.673 Start of MODEL 4 1 H1 GLY 1 H GLY 1 21.228 -11.559 -16.745 2 HA2 GLY 1 1HA GLY 1 21.027 -14.156 -17.384 3 HA3 GLY 1 2HA GLY 1 19.348 -13.739 -17.101 4 H SER 2 H SER 2 21.252 -14.289 -19.590 5 HA SER 2 HA SER 2 20.655 -11.854 -21.038 6 HB2 SER 2 1HB SER 2 22.774 -13.804 -21.117 7 HB3 SER 2 2HB SER 2 21.978 -13.822 -22.677 8 HG SER 2 HG SER 2 22.964 -11.446 -21.339 9 H SER 3 H SER 3 19.297 -11.834 -22.905 10 HA SER 3 HA SER 3 17.083 -13.284 -22.901 11 HB2 SER 3 1HB SER 3 16.784 -12.675 -25.272 12 HB3 SER 3 2HB SER 3 17.476 -11.340 -24.374 13 HG SER 3 HG SER 3 18.601 -12.908 -26.429 14 H GLY 4 H GLY 4 16.274 -15.233 -23.869 15 HA2 GLY 4 1HA GLY 4 17.974 -16.903 -25.468 16 HA3 GLY 4 2HA GLY 4 17.840 -17.467 -23.815 17 H SER 5 H SER 5 16.858 -18.997 -25.985 18 HA SER 5 HA SER 5 15.120 -20.171 -26.545 19 HB2 SER 5 1HB SER 5 14.584 -19.537 -23.899 20 HB3 SER 5 2HB SER 5 13.123 -18.986 -24.696 21 HG SER 5 HG SER 5 13.656 -21.467 -23.993 22 H SER 6 H SER 6 12.899 -20.014 -27.630 23 HA SER 6 HA SER 6 12.741 -17.413 -28.873 24 HB2 SER 6 1HB SER 6 12.855 -19.271 -30.414 25 HB3 SER 6 2HB SER 6 11.590 -20.142 -29.570 26 HG SER 6 HG SER 6 10.030 -18.804 -30.403 27 H GLY 7 H GLY 7 11.491 -16.006 -27.653 28 HA2 GLY 7 1HA GLY 7 9.121 -15.411 -27.454 29 HA3 GLY 7 2HA GLY 7 8.844 -17.008 -26.788 30 H GLY 8 H GLY 8 7.952 -15.949 -24.856 31 HA2 GLY 8 1HA GLY 8 9.920 -15.636 -22.809 32 HA3 GLY 8 2HA GLY 8 9.211 -14.099 -23.262 33 H GLY 9 H GLY 9 6.962 -13.675 -22.873 34 HA2 GLY 9 1HA GLY 9 4.909 -15.218 -22.239 35 HA3 GLY 9 2HA GLY 9 5.844 -15.351 -20.762 36 H GLN 10 H GLN 10 4.053 -13.133 -22.911 37 HA GLN 10 HA GLN 10 3.831 -11.344 -20.632 38 HB2 GLN 10 1HB GLN 10 5.529 -10.471 -22.310 39 HB3 GLN 10 2HB GLN 10 4.240 -10.377 -23.494 40 HG2 GLN 10 1HG GLN 10 2.975 -8.818 -22.023 41 HG3 GLN 10 2HG GLN 10 4.218 -8.945 -20.794 42 HE21 GLN 10 1HE2 GLN 10 6.247 -8.038 -21.116 43 HE22 GLN 10 2HE2 GLN 10 6.555 -6.818 -22.307 44 H ILE 11 H ILE 11 1.721 -12.142 -20.194 45 HA ILE 11 HA ILE 11 -0.218 -11.642 -22.344 46 HB ILE 11 HB ILE 11 -1.632 -13.315 -21.229 47 HG12 ILE 11 1HG1 ILE 11 0.455 -14.608 -19.679 48 HG13 ILE 11 2HG1 ILE 11 0.149 -12.990 -19.080 49 HG21 ILE 11 1HG2 ILE 11 -0.524 -14.179 -23.071 50 HG22 ILE 11 2HG2 ILE 11 1.077 -14.049 -22.305 51 HG23 ILE 11 3HG2 ILE 11 -0.062 -15.310 -21.776 52 HD11 ILE 11 1HD1 ILE 11 -2.061 -13.458 -18.502 53 HD12 ILE 11 2HD1 ILE 11 -2.231 -14.713 -19.753 54 HD13 ILE 11 3HD1 ILE 11 -1.325 -15.061 -18.261 55 H VAL 12 H VAL 12 -1.936 -10.275 -21.944 56 HA VAL 12 HA VAL 12 -1.660 -8.607 -19.629 57 HB VAL 12 HB VAL 12 -3.609 -8.658 -21.940 58 HG11 VAL 12 1HG1 VAL 12 -4.873 -7.480 -20.436 59 HG12 VAL 12 2HG1 VAL 12 -3.460 -6.936 -19.501 60 HG13 VAL 12 3HG1 VAL 12 -3.854 -6.156 -21.052 61 HG21 VAL 12 1HG2 VAL 12 -1.382 -8.137 -22.686 62 HG22 VAL 12 2HG2 VAL 12 -2.322 -6.626 -22.650 63 HG23 VAL 12 3HG2 VAL 12 -1.151 -6.977 -21.356 64 H HIS 13 H HIS 13 -2.549 -9.013 -17.678 65 HA HIS 13 HA HIS 13 -4.875 -10.793 -17.659 66 HB2 HIS 13 1HB HIS 13 -2.523 -11.323 -16.507 67 HB3 HIS 13 2HB HIS 13 -3.213 -10.361 -15.215 68 HD1 HIS 13 1HD HIS 13 -2.702 -13.266 -14.592 69 HD2 HIS 13 2HD HIS 13 -6.307 -11.921 -16.264 70 HE1 HIS 13 1HE HIS 13 -4.452 -15.038 -14.037 71 H THR 14 H THR 14 -3.327 -8.101 -15.760 72 HA THR 14 HA THR 14 -5.939 -6.801 -15.659 73 HB THR 14 HB THR 14 -4.278 -7.213 -13.134 74 HG1 THR 14 1HG THR 14 -6.542 -8.720 -14.243 75 HG21 THR 14 1HG2 THR 14 -5.952 -5.842 -12.358 76 HG22 THR 14 2HG2 THR 14 -6.900 -6.030 -13.852 77 HG23 THR 14 3HG2 THR 14 -7.018 -7.252 -12.564 78 H GLU 15 H GLU 15 -5.796 -4.520 -14.961 79 HA GLU 15 HA GLU 15 -3.465 -3.399 -16.163 80 HB2 GLU 15 1HB GLU 15 -5.991 -2.174 -14.983 81 HB3 GLU 15 2HB GLU 15 -4.700 -1.208 -15.668 82 HG2 GLU 15 1HG GLU 15 -6.371 -1.570 -17.402 83 HG3 GLU 15 2HG GLU 15 -4.936 -2.478 -17.834 84 H THR 16 H THR 16 -2.040 -1.814 -15.127 85 HA THR 16 HA THR 16 -2.130 -1.837 -12.197 86 HB THR 16 HB THR 16 0.474 -2.182 -12.434 87 HG1 THR 16 1HG THR 16 0.700 -2.133 -14.691 88 HG21 THR 16 1HG2 THR 16 0.251 -4.517 -12.159 89 HG22 THR 16 2HG2 THR 16 -1.386 -3.965 -11.729 90 HG23 THR 16 3HG2 THR 16 -1.067 -4.627 -13.350 91 H THR 17 H THR 17 -0.878 -0.098 -11.198 92 HA THR 17 HA THR 17 -0.284 2.088 -13.065 93 HB THR 17 HB THR 17 -2.663 2.180 -12.011 94 HG1 THR 17 1HG THR 17 -0.542 4.148 -11.523 95 HG21 THR 17 1HG2 THR 17 -1.048 3.136 -9.600 96 HG22 THR 17 2HG2 THR 17 -2.816 2.980 -9.732 97 HG23 THR 17 3HG2 THR 17 -1.797 1.522 -9.660 98 H GLU 18 H GLU 18 1.404 3.440 -12.483 99 HA GLU 18 HA GLU 18 2.899 2.426 -10.199 100 HB2 GLU 18 1HB GLU 18 3.948 2.296 -12.507 101 HB3 GLU 18 2HB GLU 18 3.940 4.048 -12.562 102 HG2 GLU 18 1HG GLU 18 5.500 4.238 -10.761 103 HG3 GLU 18 2HG GLU 18 5.217 2.595 -10.220 104 H VAL 19 H VAL 19 2.861 3.685 -8.392 105 HA VAL 19 HA VAL 19 2.341 6.547 -8.787 106 HB VAL 19 HB VAL 19 1.776 4.667 -6.492 107 HG11 VAL 19 1HG1 VAL 19 2.095 6.450 -5.157 108 HG12 VAL 19 2HG1 VAL 19 2.102 7.593 -6.521 109 HG13 VAL 19 3HG1 VAL 19 0.557 7.041 -5.831 110 HG21 VAL 19 1HG2 VAL 19 0.072 6.134 -8.506 111 HG22 VAL 19 2HG2 VAL 19 0.071 4.406 -8.078 112 HG23 VAL 19 3HG2 VAL 19 -0.591 5.605 -6.941 113 H VAL 20 H VAL 20 3.842 8.036 -8.119 114 HA VAL 20 HA VAL 20 6.239 6.910 -6.851 115 HB VAL 20 HB VAL 20 5.770 9.118 -8.830 116 HG11 VAL 20 1HG1 VAL 20 7.101 10.269 -7.249 117 HG12 VAL 20 2HG1 VAL 20 8.108 8.837 -6.929 118 HG13 VAL 20 3HG1 VAL 20 8.238 9.687 -8.488 119 HG21 VAL 20 1HG2 VAL 20 8.040 7.797 -9.570 120 HG22 VAL 20 2HG2 VAL 20 7.136 6.497 -8.757 121 HG23 VAL 20 3HG2 VAL 20 6.401 7.376 -10.120 122 H LEU 21 H LEU 21 5.944 7.149 -4.666 123 HA LEU 21 HA LEU 21 4.810 9.668 -3.735 124 HB2 LEU 21 1HB LEU 21 5.317 6.999 -2.431 125 HB3 LEU 21 2HB LEU 21 4.886 8.427 -1.511 126 HG LEU 21 HG LEU 21 3.228 6.842 -3.448 127 HD11 LEU 21 1HD1 LEU 21 1.663 6.727 -1.689 128 HD12 LEU 21 2HD1 LEU 21 3.254 6.470 -0.933 129 HD13 LEU 21 3HD1 LEU 21 2.446 8.050 -0.792 130 HD21 LEU 21 1HD2 LEU 21 2.930 8.993 -4.379 131 HD22 LEU 21 2HD2 LEU 21 1.522 8.714 -3.327 132 HD23 LEU 21 3HD2 LEU 21 2.850 9.764 -2.777 133 H CYS 22 H CYS 22 5.906 10.983 -2.152 134 HA CYS 22 HA CYS 22 8.760 10.410 -1.928 135 HB2 CYS 22 1HB CYS 22 8.836 11.974 -3.668 136 HB3 CYS 22 2HB CYS 22 7.503 12.916 -3.031 137 HG CYS 22 HG CYS 22 9.610 14.364 -2.753 138 H GLY 23 H GLY 23 9.674 11.182 0.075 139 HA2 GLY 23 1HA GLY 23 8.192 12.830 1.871 140 HA3 GLY 23 2HA GLY 23 8.061 11.138 2.307 141 H ASP 24 H ASP 24 9.245 12.212 4.281 142 HA ASP 24 HA ASP 24 12.068 12.497 3.743 143 HB2 ASP 24 1HB ASP 24 10.171 13.461 5.757 144 HB3 ASP 24 2HB ASP 24 11.560 12.725 6.532 145 HA PRO 25 HA PRO 25 12.992 8.651 5.643 146 HB2 PRO 25 1HB PRO 25 15.253 9.112 7.106 147 HB3 PRO 25 2HB PRO 25 15.265 8.900 5.367 148 HG2 PRO 25 1HG PRO 25 15.564 11.390 6.932 149 HG3 PRO 25 2HG PRO 25 15.988 11.088 5.259 150 HD2 PRO 25 1HD PRO 25 13.696 12.522 6.216 151 HD3 PRO 25 2HD PRO 25 14.060 12.120 4.550 152 H LEU 26 H LEU 26 12.370 11.290 7.703 153 HA LEU 26 HA LEU 26 11.920 9.407 9.906 154 HB2 LEU 26 1HB LEU 26 12.952 12.127 9.721 155 HB3 LEU 26 2HB LEU 26 11.654 11.986 10.890 156 HG LEU 26 HG LEU 26 14.054 10.145 10.889 157 HD11 LEU 26 1HD1 LEU 26 15.200 11.533 12.384 158 HD12 LEU 26 2HD1 LEU 26 14.606 12.638 11.122 159 HD13 LEU 26 3HD1 LEU 26 13.769 12.546 12.690 160 HD21 LEU 26 1HD2 LEU 26 11.614 10.366 12.470 161 HD22 LEU 26 2HD2 LEU 26 12.806 9.048 12.372 162 HD23 LEU 26 3HD2 LEU 26 13.085 10.420 13.471 163 H SER 27 H SER 27 10.474 12.152 8.046 164 HA SER 27 HA SER 27 8.010 11.959 9.351 165 HB2 SER 27 1HB SER 27 9.206 13.722 7.571 166 HB3 SER 27 2HB SER 27 7.970 12.988 6.569 167 HG SER 27 HG SER 27 7.710 14.781 8.688 168 H GLY 28 H GLY 28 9.536 10.231 6.673 169 HA2 GLY 28 1HA GLY 28 8.891 8.342 5.614 170 HA3 GLY 28 2HA GLY 28 7.462 8.270 6.627 171 H PHE 29 H PHE 29 6.107 7.688 4.822 172 HA PHE 29 HA PHE 29 5.831 9.774 2.791 173 HB2 PHE 29 1HB PHE 29 5.060 6.821 3.089 174 HB3 PHE 29 2HB PHE 29 4.373 7.792 1.802 175 HD1 PHE 29 1HD PHE 29 6.531 9.362 0.773 176 HD2 PHE 29 2HD PHE 29 6.625 5.374 2.221 177 HE1 PHE 29 1HE PHE 29 8.540 8.890 -0.656 178 HE2 PHE 29 2HE PHE 29 8.634 4.903 0.791 179 HZ PHE 29 HZ PHE 29 9.567 6.666 -0.630 180 H GLY 30 H GLY 30 3.342 7.386 3.722 181 HA2 GLY 30 1HA GLY 30 1.758 8.514 5.511 182 HA3 GLY 30 2HA GLY 30 1.465 9.580 4.151 183 H LEU 31 H LEU 31 1.888 5.991 4.629 184 HA LEU 31 HA LEU 31 -0.777 5.539 3.664 185 HB2 LEU 31 1HB LEU 31 -0.295 4.397 1.692 186 HB3 LEU 31 2HB LEU 31 0.603 5.899 1.598 187 HG LEU 31 HG LEU 31 2.460 4.179 2.701 188 HD11 LEU 31 1HD1 LEU 31 1.750 2.084 2.394 189 HD12 LEU 31 2HD1 LEU 31 0.456 2.585 1.279 190 HD13 LEU 31 3HD1 LEU 31 2.114 2.352 0.673 191 HD21 LEU 31 1HD2 LEU 31 1.926 5.259 -0.035 192 HD22 LEU 31 2HD2 LEU 31 3.266 5.588 1.089 193 HD23 LEU 31 3HD2 LEU 31 3.225 4.061 0.177 194 H GLN 32 H GLN 32 -1.603 3.702 4.588 195 HA GLN 32 HA GLN 32 0.357 2.101 6.034 196 HB2 GLN 32 1HB GLN 32 -2.297 3.194 6.733 197 HB3 GLN 32 2HB GLN 32 -2.146 1.490 7.112 198 HG2 GLN 32 1HG GLN 32 0.111 3.353 7.876 199 HG3 GLN 32 2HG GLN 32 -1.346 3.353 8.850 200 HE21 GLN 32 1HE2 GLN 32 1.024 2.626 9.939 201 HE22 GLN 32 2HE2 GLN 32 1.062 0.932 10.302 202 H LEU 33 H LEU 33 0.606 -0.033 5.477 203 HA LEU 33 HA LEU 33 -1.135 -1.034 3.383 204 HB2 LEU 33 1HB LEU 33 1.507 -1.909 4.532 205 HB3 LEU 33 2HB LEU 33 0.587 -2.927 3.442 206 HG LEU 33 HG LEU 33 1.562 -0.134 2.784 207 HD11 LEU 33 1HD1 LEU 33 3.210 -1.260 1.334 208 HD12 LEU 33 2HD1 LEU 33 3.453 -1.624 3.059 209 HD13 LEU 33 3HD1 LEU 33 2.695 -2.831 1.993 210 HD21 LEU 33 1HD2 LEU 33 0.119 -2.233 1.158 211 HD22 LEU 33 2HD2 LEU 33 -0.361 -0.549 1.478 212 HD23 LEU 33 3HD2 LEU 33 1.030 -0.892 0.421 213 H GLN 34 H GLN 34 -2.300 -3.025 3.534 214 HA GLN 34 HA GLN 34 -2.582 -3.980 6.270 215 HB2 GLN 34 1HB GLN 34 -4.535 -2.647 5.987 216 HB3 GLN 34 2HB GLN 34 -4.760 -3.160 4.326 217 HG2 GLN 34 1HG GLN 34 -4.774 -5.518 6.002 218 HG3 GLN 34 2HG GLN 34 -5.855 -4.338 6.716 219 HE21 GLN 34 1HE2 GLN 34 -6.638 -6.781 5.576 220 HE22 GLN 34 2HE2 GLN 34 -7.644 -6.480 4.198 221 H GLY 35 H GLY 35 -2.217 -6.153 6.415 222 HA2 GLY 35 1HA GLY 35 -3.287 -8.107 4.792 223 HA3 GLY 35 2HA GLY 35 -1.747 -7.695 4.065 224 H GLY 36 H GLY 36 -2.492 -10.240 5.350 225 HA2 GLY 36 1HA GLY 36 -1.807 -11.688 6.950 226 HA3 GLY 36 2HA GLY 36 -0.236 -10.987 6.614 227 H ILE 37 H ILE 37 -2.975 -11.103 8.843 228 HA ILE 37 HA ILE 37 -2.680 -8.991 10.454 229 HB ILE 37 HB ILE 37 -3.052 -11.874 11.270 230 HG12 ILE 37 1HG1 ILE 37 -5.356 -10.031 11.158 231 HG13 ILE 37 2HG1 ILE 37 -4.628 -10.376 9.602 232 HG21 ILE 37 1HG2 ILE 37 -2.381 -10.207 13.102 233 HG22 ILE 37 2HG2 ILE 37 -3.978 -9.470 12.836 234 HG23 ILE 37 3HG2 ILE 37 -3.858 -11.169 13.350 235 HD11 ILE 37 1HD1 ILE 37 -4.657 -12.898 10.555 236 HD12 ILE 37 2HD1 ILE 37 -6.002 -12.239 11.516 237 HD13 ILE 37 3HD1 ILE 37 -6.068 -12.186 9.738 238 H PHE 38 H PHE 38 -0.468 -11.811 10.227 239 HA PHE 38 HA PHE 38 1.204 -10.651 12.297 240 HB2 PHE 38 1HB PHE 38 1.065 -13.220 10.641 241 HB3 PHE 38 2HB PHE 38 2.520 -12.858 11.548 242 HD1 PHE 38 2HD PHE 38 -1.148 -13.304 11.954 243 HD2 PHE 38 1HD PHE 38 2.667 -13.420 13.810 244 HE1 PHE 38 2HE PHE 38 -2.179 -14.310 14.010 245 HE2 PHE 38 1HE PHE 38 1.636 -14.426 15.865 246 HZ PHE 38 HZ PHE 38 -0.774 -14.859 15.941 247 H ALA 39 H ALA 39 3.673 -10.708 11.828 248 HA ALA 39 HA ALA 39 4.051 -9.350 9.270 249 HB1 ALA 39 1HB ALA 39 6.341 -9.359 11.063 250 HB2 ALA 39 2HB ALA 39 5.390 -7.984 10.452 251 HB3 ALA 39 3HB ALA 39 4.871 -8.842 11.923 252 H THR 40 H THR 40 5.731 -11.779 11.398 253 HA THR 40 HA THR 40 7.426 -12.657 9.304 254 HB THR 40 HB THR 40 7.941 -14.458 11.010 255 HG1 THR 40 1HG THR 40 5.956 -14.759 12.054 256 HG21 THR 40 1HG2 THR 40 7.653 -11.596 12.060 257 HG22 THR 40 2HG2 THR 40 8.473 -12.891 12.964 258 HG23 THR 40 3HG2 THR 40 9.123 -12.350 11.398 259 H GLU 41 H GLU 41 6.249 -13.164 7.453 260 HA GLU 41 HA GLU 41 5.586 -15.715 7.068 261 HB2 GLU 41 1HB GLU 41 2.962 -15.490 6.993 262 HB3 GLU 41 2HB GLU 41 3.756 -15.881 8.505 263 HG2 GLU 41 1HG GLU 41 3.167 -13.892 9.472 264 HG3 GLU 41 2HG GLU 41 3.578 -12.966 8.042 265 H THR 42 H THR 42 4.933 -16.091 4.872 266 HA THR 42 HA THR 42 5.391 -13.895 3.145 267 HB THR 42 HB THR 42 4.311 -16.722 2.657 268 HG1 THR 42 1HG THR 42 6.571 -17.136 2.481 269 HG21 THR 42 1HG2 THR 42 5.350 -16.403 0.394 270 HG22 THR 42 2HG2 THR 42 4.002 -15.271 0.655 271 HG23 THR 42 3HG2 THR 42 5.682 -14.703 0.803 272 H LEU 43 H LEU 43 3.953 -13.020 1.507 273 HA LEU 43 HA LEU 43 1.247 -12.795 2.601 274 HB2 LEU 43 1HB LEU 43 3.006 -10.980 0.985 275 HB3 LEU 43 2HB LEU 43 1.265 -10.779 0.957 276 HG LEU 43 HG LEU 43 3.049 -10.629 3.402 277 HD11 LEU 43 1HD1 LEU 43 1.731 -8.232 3.183 278 HD12 LEU 43 2HD1 LEU 43 3.399 -8.553 2.649 279 HD13 LEU 43 3HD1 LEU 43 2.058 -8.644 1.482 280 HD21 LEU 43 1HD2 LEU 43 1.251 -11.130 4.608 281 HD22 LEU 43 2HD2 LEU 43 0.530 -9.604 4.042 282 HD23 LEU 43 3HD2 LEU 43 0.202 -11.121 3.170 283 H SER 44 H SER 44 -0.175 -14.184 1.697 284 HA SER 44 HA SER 44 0.350 -15.329 -0.819 285 HB2 SER 44 1HB SER 44 -1.673 -15.575 1.327 286 HB3 SER 44 2HB SER 44 -2.335 -15.843 -0.273 287 HG SER 44 HG SER 44 0.125 -17.123 0.467 288 H SER 45 H SER 45 -1.272 -12.434 0.317 289 HA SER 45 HA SER 45 -2.120 -11.954 -2.421 290 HB2 SER 45 1HB SER 45 -4.289 -11.445 -1.868 291 HB3 SER 45 2HB SER 45 -3.976 -12.563 -0.556 292 HG SER 45 HG SER 45 -3.285 -10.619 0.719 293 HA PRO 46 HA PRO 46 -0.361 -8.032 -1.743 294 HB2 PRO 46 1HB PRO 46 -1.894 -6.337 -3.241 295 HB3 PRO 46 2HB PRO 46 -0.666 -7.381 -3.930 296 HG2 PRO 46 1HG PRO 46 -3.606 -7.678 -4.005 297 HG3 PRO 46 2HG PRO 46 -2.399 -8.444 -5.018 298 HD2 PRO 46 1HD PRO 46 -3.825 -9.647 -2.839 299 HD3 PRO 46 2HD PRO 46 -2.536 -10.375 -3.778 300 HA PRO 47 HA PRO 47 -2.277 -6.126 1.542 301 HB2 PRO 47 1HB PRO 47 -0.444 -4.177 2.099 302 HB3 PRO 47 2HB PRO 47 -0.286 -5.829 2.660 303 HG2 PRO 47 1HG PRO 47 1.171 -4.465 0.479 304 HG3 PRO 47 2HG PRO 47 1.593 -5.940 1.326 305 HD2 PRO 47 1HD PRO 47 0.471 -5.733 -1.305 306 HD3 PRO 47 2HD PRO 47 0.785 -7.208 -0.413 307 H LEU 48 H LEU 48 -3.799 -4.589 1.994 308 HA LEU 48 HA LEU 48 -4.177 -2.756 -0.239 309 HB2 LEU 48 1HB LEU 48 -6.098 -3.144 2.028 310 HB3 LEU 48 2HB LEU 48 -6.411 -2.629 0.382 311 HG LEU 48 HG LEU 48 -5.327 -5.379 0.718 312 HD11 LEU 48 1HD1 LEU 48 -7.861 -4.468 1.967 313 HD12 LEU 48 2HD1 LEU 48 -7.924 -5.981 1.031 314 HD13 LEU 48 3HD1 LEU 48 -6.785 -5.822 2.390 315 HD21 LEU 48 1HD2 LEU 48 -6.119 -5.638 -1.345 316 HD22 LEU 48 2HD2 LEU 48 -7.726 -5.024 -0.890 317 HD23 LEU 48 3HD2 LEU 48 -6.436 -3.887 -1.348 318 H VAL 49 H VAL 49 -5.108 -0.506 0.468 319 HA VAL 49 HA VAL 49 -3.101 0.621 2.203 320 HB VAL 49 HB VAL 49 -5.232 1.692 0.370 321 HG11 VAL 49 1HG1 VAL 49 -5.413 3.559 1.582 322 HG12 VAL 49 2HG1 VAL 49 -4.160 3.009 2.721 323 HG13 VAL 49 3HG1 VAL 49 -3.695 3.878 1.238 324 HG21 VAL 49 1HG2 VAL 49 -2.908 0.840 -0.386 325 HG22 VAL 49 2HG2 VAL 49 -3.461 2.426 -0.974 326 HG23 VAL 49 3HG2 VAL 49 -2.282 2.332 0.356 327 H CYS 50 H CYS 50 -3.679 -0.277 4.263 328 HA CYS 50 HA CYS 50 -6.123 -0.391 5.386 329 HB2 CYS 50 1HB CYS 50 -3.645 -0.908 6.280 330 HB3 CYS 50 2HB CYS 50 -3.918 0.592 7.145 331 HG CYS 50 HG CYS 50 -4.653 -2.147 8.044 332 H PHE 51 H PHE 51 -3.787 2.395 5.683 333 HA PHE 51 HA PHE 51 -6.068 4.199 5.637 334 HB2 PHE 51 1HB PHE 51 -5.744 3.921 8.017 335 HB3 PHE 51 2HB PHE 51 -4.010 3.736 7.844 336 HD1 PHE 51 2HD PHE 51 -6.766 6.188 7.822 337 HD2 PHE 51 1HD PHE 51 -2.560 5.625 7.889 338 HE1 PHE 51 2HE PHE 51 -6.450 8.613 8.385 339 HE2 PHE 51 1HE PHE 51 -2.245 8.051 8.452 340 HZ PHE 51 HZ PHE 51 -4.194 9.516 8.693 341 H ILE 52 H ILE 52 -5.194 6.586 5.633 342 HA ILE 52 HA ILE 52 -2.562 6.730 4.396 343 HB ILE 52 HB ILE 52 -5.156 7.211 3.041 344 HG12 ILE 52 1HG1 ILE 52 -2.454 6.562 1.854 345 HG13 ILE 52 2HG1 ILE 52 -3.459 5.332 2.595 346 HG21 ILE 52 1HG2 ILE 52 -4.322 9.485 3.197 347 HG22 ILE 52 2HG2 ILE 52 -2.733 8.972 2.579 348 HG23 ILE 52 3HG2 ILE 52 -4.168 8.884 1.529 349 HD11 ILE 52 1HD1 ILE 52 -4.487 7.193 0.411 350 HD12 ILE 52 2HD1 ILE 52 -3.756 5.605 0.075 351 HD13 ILE 52 3HD1 ILE 52 -5.258 5.711 1.025 352 H GLU 53 H GLU 53 -1.479 8.646 4.850 353 HA GLU 53 HA GLU 53 -2.543 10.109 7.007 354 HB2 GLU 53 1HB GLU 53 -0.005 10.095 5.414 355 HB3 GLU 53 2HB GLU 53 -0.374 11.574 6.279 356 HG2 GLU 53 1HG GLU 53 -0.946 9.564 8.159 357 HG3 GLU 53 2HG GLU 53 0.473 8.951 7.333 358 HA PRO 54 HA PRO 54 -4.505 13.253 4.733 359 HB2 PRO 54 1HB PRO 54 -4.875 15.102 6.710 360 HB3 PRO 54 2HB PRO 54 -5.929 13.721 6.480 361 HG2 PRO 54 1HG PRO 54 -3.861 14.149 8.548 362 HG3 PRO 54 2HG PRO 54 -5.189 13.006 8.544 363 HD2 PRO 54 1HD PRO 54 -2.427 12.431 8.022 364 HD3 PRO 54 2HD PRO 54 -3.771 11.312 7.905 365 H ASP 55 H ASP 55 -3.965 14.812 3.312 366 HA ASP 55 HA ASP 55 -2.784 16.392 2.407 367 HB2 ASP 55 1HB ASP 55 -2.848 17.155 5.092 368 HB3 ASP 55 2HB ASP 55 -1.130 17.166 4.747 369 H SER 56 H SER 56 -1.693 13.547 3.352 370 HA SER 56 HA SER 56 1.119 13.989 3.406 371 HB2 SER 56 1HB SER 56 1.219 11.839 4.154 372 HB3 SER 56 2HB SER 56 -0.517 11.990 4.334 373 HG SER 56 HG SER 56 -0.751 10.480 2.847 374 HA PRO 57 HA PRO 57 1.964 13.201 -0.805 375 HB2 PRO 57 1HB PRO 57 3.875 11.250 -0.914 376 HB3 PRO 57 2HB PRO 57 4.229 12.916 -0.504 377 HG2 PRO 57 1HG PRO 57 4.079 10.560 1.276 378 HG3 PRO 57 2HG PRO 57 4.831 12.115 1.574 379 HD2 PRO 57 1HD PRO 57 2.319 11.196 2.611 380 HD3 PRO 57 2HD PRO 57 3.017 12.791 2.813 381 H ALA 58 H ALA 58 1.362 10.170 0.839 382 HA ALA 58 HA ALA 58 0.716 8.753 -1.502 383 HB1 ALA 58 1HB ALA 58 1.005 8.256 1.253 384 HB2 ALA 58 2HB ALA 58 -0.688 7.848 0.885 385 HB3 ALA 58 3HB ALA 58 0.632 7.065 -0.017 386 H GLU 59 H GLU 59 -0.980 11.137 0.457 387 HA GLU 59 HA GLU 59 -3.530 10.348 -0.586 388 HB2 GLU 59 1HB GLU 59 -3.134 11.278 1.762 389 HB3 GLU 59 2HB GLU 59 -2.837 12.840 1.025 390 HG2 GLU 59 1HG GLU 59 -5.111 13.065 1.398 391 HG3 GLU 59 2HG GLU 59 -5.182 12.327 -0.190 392 H ARG 60 H ARG 60 -1.090 12.961 -1.010 393 HA ARG 60 HA ARG 60 -2.544 14.643 -2.562 394 HB2 ARG 60 1HB ARG 60 0.405 13.928 -2.469 395 HB3 ARG 60 2HB ARG 60 -0.160 15.072 -3.669 396 HG2 ARG 60 1HG ARG 60 -1.408 16.015 -1.376 397 HG3 ARG 60 2HG ARG 60 0.095 15.394 -0.725 398 HD2 ARG 60 1HD ARG 60 1.429 16.850 -2.068 399 HD3 ARG 60 2HD ARG 60 0.126 17.156 -3.199 400 HE ARG 60 HE ARG 60 -0.473 18.030 -0.462 401 HH11 ARG 60 2HH2 ARG 60 0.960 18.943 -3.544 402 HH12 ARG 60 1HH2 ARG 60 0.782 20.644 -3.268 403 HH21 ARG 60 2HH1 ARG 60 -0.708 20.274 -0.098 404 HH22 ARG 60 1HH1 ARG 60 -0.173 21.406 -1.295 405 H CYS 61 H CYS 61 -1.220 11.458 -3.306 406 HA CYS 61 HA CYS 61 -1.062 11.689 -6.078 407 HB2 CYS 61 1HB CYS 61 -1.051 9.503 -4.092 408 HB3 CYS 61 2HB CYS 61 -1.664 9.039 -5.667 409 HG CYS 61 HG CYS 61 0.352 9.153 -6.954 410 H GLY 62 H GLY 62 -3.731 11.307 -3.779 411 HA2 GLY 62 1HA GLY 62 -5.961 11.438 -4.076 412 HA3 GLY 62 2HA GLY 62 -5.689 11.892 -5.747 413 H LEU 63 H LEU 63 -4.567 9.827 -7.034 414 HA LEU 63 HA LEU 63 -6.617 8.025 -7.385 415 HB2 LEU 63 1HB LEU 63 -5.401 7.505 -9.141 416 HB3 LEU 63 2HB LEU 63 -4.185 8.629 -8.571 417 HG LEU 63 HG LEU 63 -3.250 6.635 -7.212 418 HD11 LEU 63 1HD1 LEU 63 -5.501 5.357 -8.135 419 HD12 LEU 63 2HD1 LEU 63 -4.240 4.766 -9.243 420 HD13 LEU 63 3HD1 LEU 63 -4.045 4.565 -7.485 421 HD21 LEU 63 1HD2 LEU 63 -1.904 7.467 -8.921 422 HD22 LEU 63 2HD2 LEU 63 -2.102 5.750 -9.345 423 HD23 LEU 63 3HD2 LEU 63 -3.052 6.991 -10.196 424 H LEU 64 H LEU 64 -3.921 8.038 -5.073 425 HA LEU 64 HA LEU 64 -4.402 5.294 -4.329 426 HB2 LEU 64 1HB LEU 64 -2.202 6.853 -4.320 427 HB3 LEU 64 2HB LEU 64 -2.720 7.069 -2.660 428 HG LEU 64 HG LEU 64 -2.586 4.274 -3.703 429 HD11 LEU 64 1HD1 LEU 64 -0.280 4.051 -3.630 430 HD12 LEU 64 2HD1 LEU 64 -0.497 5.613 -4.457 431 HD13 LEU 64 3HD1 LEU 64 -0.053 5.572 -2.733 432 HD21 LEU 64 1HD2 LEU 64 -3.350 4.446 -1.489 433 HD22 LEU 64 2HD2 LEU 64 -1.643 3.961 -1.350 434 HD23 LEU 64 3HD2 LEU 64 -2.114 5.652 -1.060 435 H GLN 65 H GLN 65 -5.636 4.568 -2.638 436 HA GLN 65 HA GLN 65 -6.356 6.300 -0.535 437 HB2 GLN 65 1HB GLN 65 -8.265 5.898 -2.807 438 HB3 GLN 65 2HB GLN 65 -8.944 5.779 -1.196 439 HG2 GLN 65 1HG GLN 65 -7.436 8.031 -0.868 440 HG3 GLN 65 2HG GLN 65 -7.753 8.155 -2.587 441 HE21 GLN 65 1HE2 GLN 65 -9.290 9.585 -2.857 442 HE22 GLN 65 2HE2 GLN 65 -10.812 9.653 -2.032 443 H VAL 66 H VAL 66 -8.262 5.076 0.813 444 HA VAL 66 HA VAL 66 -7.179 2.629 1.550 445 HB VAL 66 HB VAL 66 -9.844 3.954 2.030 446 HG11 VAL 66 1HG1 VAL 66 -9.393 2.019 4.039 447 HG12 VAL 66 2HG1 VAL 66 -10.679 2.037 2.807 448 HG13 VAL 66 3HG1 VAL 66 -9.147 1.190 2.483 449 HG21 VAL 66 1HG2 VAL 66 -7.749 4.977 2.969 450 HG22 VAL 66 2HG2 VAL 66 -8.952 4.499 4.191 451 HG23 VAL 66 3HG2 VAL 66 -7.514 3.488 3.915 452 H GLY 67 H GLY 67 -7.462 0.542 0.873 453 HA2 GLY 67 1HA GLY 67 -8.928 -1.145 0.007 454 HA3 GLY 67 2HA GLY 67 -9.630 0.045 -1.071 455 H ASP 68 H ASP 68 -7.264 1.364 -2.010 456 HA ASP 68 HA ASP 68 -6.633 0.012 -4.184 457 HB2 ASP 68 1HB ASP 68 -4.786 1.734 -2.472 458 HB3 ASP 68 2HB ASP 68 -4.367 1.226 -4.095 459 H ARG 69 H ARG 69 -4.803 -1.398 -4.856 460 HA ARG 69 HA ARG 69 -3.851 -2.975 -2.611 461 HB2 ARG 69 1HB ARG 69 -4.583 -3.594 -5.461 462 HB3 ARG 69 2HB ARG 69 -3.258 -4.521 -4.786 463 HG2 ARG 69 1HG ARG 69 -4.832 -5.873 -3.859 464 HG3 ARG 69 2HG ARG 69 -5.149 -4.574 -2.726 465 HD2 ARG 69 1HD ARG 69 -7.288 -5.058 -3.657 466 HD3 ARG 69 2HD ARG 69 -6.776 -3.615 -4.508 467 HE ARG 69 HE ARG 69 -5.820 -5.780 -6.039 468 HH11 ARG 69 2HH2 ARG 69 -8.945 -4.561 -4.974 469 HH12 ARG 69 1HH2 ARG 69 -9.799 -5.186 -6.345 470 HH21 ARG 69 2HH1 ARG 69 -6.947 -6.605 -7.848 471 HH22 ARG 69 1HH1 ARG 69 -8.655 -6.356 -7.991 472 H VAL 70 H VAL 70 -1.572 -3.939 -2.907 473 HA VAL 70 HA VAL 70 0.123 -2.204 -4.546 474 HB VAL 70 HB VAL 70 0.515 -2.874 -1.623 475 HG11 VAL 70 1HG1 VAL 70 2.610 -2.923 -3.054 476 HG12 VAL 70 2HG1 VAL 70 2.334 -1.193 -3.367 477 HG13 VAL 70 3HG1 VAL 70 2.618 -1.762 -1.705 478 HG21 VAL 70 1HG2 VAL 70 -0.815 -1.052 -1.422 479 HG22 VAL 70 2HG2 VAL 70 0.686 -0.171 -1.796 480 HG23 VAL 70 3HG2 VAL 70 -0.497 -0.501 -3.084 481 H LEU 71 H LEU 71 0.327 -3.912 -6.069 482 HA LEU 71 HA LEU 71 0.824 -6.551 -5.425 483 HB2 LEU 71 1HB LEU 71 1.710 -4.957 -7.834 484 HB3 LEU 71 2HB LEU 71 1.726 -6.706 -7.719 485 HG LEU 71 HG LEU 71 -0.686 -4.882 -7.744 486 HD11 LEU 71 1HD1 LEU 71 -0.506 -5.206 -9.939 487 HD12 LEU 71 2HD1 LEU 71 0.728 -6.472 -9.735 488 HD13 LEU 71 3HD1 LEU 71 -1.000 -6.888 -9.634 489 HD21 LEU 71 1HD2 LEU 71 -1.971 -7.109 -7.689 490 HD22 LEU 71 2HD2 LEU 71 -0.484 -7.792 -6.989 491 HD23 LEU 71 3HD2 LEU 71 -1.332 -6.466 -6.157 492 H SER 72 H SER 72 3.227 -3.964 -6.301 493 HA SER 72 HA SER 72 5.099 -5.413 -4.609 494 HB2 SER 72 1HB SER 72 6.915 -4.849 -6.259 495 HB3 SER 72 2HB SER 72 5.735 -5.989 -6.874 496 HG SER 72 HG SER 72 5.097 -3.291 -7.365 497 H ILE 73 H ILE 73 7.089 -3.907 -4.093 498 HA ILE 73 HA ILE 73 6.199 -1.117 -3.988 499 HB ILE 73 HB ILE 73 7.226 -2.801 -1.707 500 HG12 ILE 73 1HG1 ILE 73 4.688 -1.162 -1.933 501 HG13 ILE 73 2HG1 ILE 73 4.773 -2.876 -2.288 502 HG21 ILE 73 1HG2 ILE 73 7.554 -0.908 -0.394 503 HG22 ILE 73 2HG2 ILE 73 8.265 -0.453 -1.961 504 HG23 ILE 73 3HG2 ILE 73 6.652 0.147 -1.508 505 HD11 ILE 73 1HD1 ILE 73 4.103 -2.830 -0.022 506 HD12 ILE 73 2HD1 ILE 73 5.858 -3.104 0.088 507 HD13 ILE 73 3HD1 ILE 73 5.193 -1.478 0.369 508 H ASN 74 H ASN 74 7.620 -0.004 -5.213 509 HA ASN 74 HA ASN 74 9.516 0.836 -5.874 510 HB2 ASN 74 1HB ASN 74 10.239 -0.205 -3.327 511 HB3 ASN 74 2HB ASN 74 11.483 -0.794 -4.410 512 HD21 ASN 74 1HD2 ASN 74 11.109 1.426 -2.277 513 HD22 ASN 74 2HD2 ASN 74 11.877 2.816 -2.970 514 H GLY 75 H GLY 75 8.386 -2.166 -6.359 515 HA2 GLY 75 1HA GLY 75 8.906 -3.215 -8.462 516 HA3 GLY 75 2HA GLY 75 10.609 -2.951 -8.143 517 H ILE 76 H ILE 76 9.229 -3.673 -5.161 518 HA ILE 76 HA ILE 76 10.079 -6.456 -5.427 519 HB ILE 76 HB ILE 76 9.676 -4.733 -2.979 520 HG12 ILE 76 1HG1 ILE 76 11.583 -4.166 -4.619 521 HG13 ILE 76 2HG1 ILE 76 11.962 -4.339 -2.917 522 HG21 ILE 76 1HG2 ILE 76 11.258 -6.799 -2.196 523 HG22 ILE 76 2HG2 ILE 76 9.493 -6.735 -1.974 524 HG23 ILE 76 3HG2 ILE 76 10.185 -7.616 -3.357 525 HD11 ILE 76 1HD1 ILE 76 13.376 -5.599 -4.839 526 HD12 ILE 76 2HD1 ILE 76 13.138 -6.310 -3.224 527 HD13 ILE 76 3HD1 ILE 76 12.116 -6.830 -4.586 528 H ALA 77 H ALA 77 8.559 -7.997 -5.664 529 HA ALA 77 HA ALA 77 5.814 -7.359 -5.436 530 HB1 ALA 77 1HB ALA 77 7.405 -9.906 -5.867 531 HB2 ALA 77 2HB ALA 77 5.628 -9.902 -5.778 532 HB3 ALA 77 3HB ALA 77 6.457 -8.978 -7.054 533 H THR 78 H THR 78 4.642 -7.185 -3.598 534 HA THR 78 HA THR 78 5.719 -7.951 -1.095 535 HB THR 78 HB THR 78 3.656 -6.994 -0.256 536 HG1 THR 78 1HG THR 78 2.802 -7.466 -3.027 537 HG21 THR 78 1HG2 THR 78 5.109 -5.638 -2.306 538 HG22 THR 78 2HG2 THR 78 3.387 -5.412 -2.698 539 HG23 THR 78 3HG2 THR 78 4.013 -4.904 -1.110 540 H GLU 79 H GLU 79 3.884 -9.648 -3.549 541 HA GLU 79 HA GLU 79 2.772 -11.530 -1.774 542 HB2 GLU 79 1HB GLU 79 3.274 -11.700 -4.779 543 HB3 GLU 79 2HB GLU 79 2.266 -12.806 -3.866 544 HG2 GLU 79 1HG GLU 79 1.502 -10.044 -3.290 545 HG3 GLU 79 2HG GLU 79 1.492 -10.322 -5.020 546 H ASP 80 H ASP 80 5.912 -11.072 -3.276 547 HA ASP 80 HA ASP 80 6.612 -13.830 -2.777 548 HB2 ASP 80 1HB ASP 80 7.293 -12.208 -4.827 549 HB3 ASP 80 2HB ASP 80 8.594 -11.771 -3.738 550 H GLY 81 H GLY 81 6.088 -11.467 -0.752 551 HA2 GLY 81 1HA GLY 81 8.502 -11.949 0.850 552 HA3 GLY 81 2HA GLY 81 8.020 -10.296 0.525 553 H THR 82 H THR 82 8.021 -10.649 3.099 554 HA THR 82 HA THR 82 5.383 -11.636 3.921 555 HB THR 82 HB THR 82 6.426 -11.695 6.170 556 HG1 THR 82 1HG THR 82 8.772 -10.993 6.127 557 HG21 THR 82 1HG2 THR 82 7.117 -13.452 4.241 558 HG22 THR 82 2HG2 THR 82 8.699 -12.660 4.430 559 HG23 THR 82 3HG2 THR 82 7.931 -13.459 5.823 560 H MET 83 H MET 83 4.110 -10.369 5.461 561 HA MET 83 HA MET 83 3.375 -8.005 4.572 562 HB2 MET 83 1HB MET 83 2.669 -9.514 6.692 563 HB3 MET 83 2HB MET 83 3.604 -8.331 7.584 564 HG2 MET 83 1HG MET 83 1.206 -7.757 5.779 565 HG3 MET 83 2HG MET 83 1.246 -7.631 7.526 566 HE1 MET 83 1HE MET 83 1.243 -4.344 5.074 567 HE2 MET 83 2HE MET 83 2.365 -5.376 4.155 568 HE3 MET 83 3HE MET 83 0.826 -6.044 4.749 569 H GLU 84 H GLU 84 5.775 -8.369 7.288 570 HA GLU 84 HA GLU 84 6.338 -5.753 7.631 571 HB2 GLU 84 1HB GLU 84 7.286 -8.089 8.668 572 HB3 GLU 84 2HB GLU 84 8.679 -7.616 7.716 573 HG2 GLU 84 1HG GLU 84 8.391 -5.261 8.831 574 HG3 GLU 84 2HG GLU 84 7.346 -6.078 9.976 575 H GLU 85 H GLU 85 8.092 -8.053 5.422 576 HA GLU 85 HA GLU 85 9.953 -6.501 4.395 577 HB2 GLU 85 1HB GLU 85 8.406 -8.776 3.468 578 HB3 GLU 85 2HB GLU 85 8.756 -7.727 2.109 579 HG2 GLU 85 1HG GLU 85 11.060 -8.145 3.947 580 HG3 GLU 85 2HG GLU 85 10.507 -9.604 3.150 581 H ALA 86 H ALA 86 6.525 -6.541 3.176 582 HA ALA 86 HA ALA 86 6.792 -4.594 1.258 583 HB1 ALA 86 1HB ALA 86 4.742 -6.099 2.462 584 HB2 ALA 86 2HB ALA 86 4.262 -4.401 2.693 585 HB3 ALA 86 3HB ALA 86 4.591 -5.018 1.056 586 H ASN 87 H ASN 87 6.066 -4.249 4.791 587 HA ASN 87 HA ASN 87 5.779 -1.495 4.692 588 HB2 ASN 87 1HB ASN 87 6.321 -3.554 6.832 589 HB3 ASN 87 2HB ASN 87 6.610 -1.878 7.256 590 HD21 ASN 87 1HD2 ASN 87 4.396 -4.284 7.267 591 HD22 ASN 87 2HD2 ASN 87 2.913 -3.390 7.314 592 H GLN 88 H GLN 88 8.520 -3.545 5.975 593 HA GLN 88 HA GLN 88 10.312 -1.669 6.532 594 HB2 GLN 88 1HB GLN 88 10.425 -4.325 6.494 595 HB3 GLN 88 2HB GLN 88 11.258 -4.078 4.972 596 HG2 GLN 88 1HG GLN 88 12.880 -4.201 6.836 597 HG3 GLN 88 2HG GLN 88 12.926 -2.617 6.088 598 HE21 GLN 88 1HE2 GLN 88 13.503 -1.326 7.694 599 HE22 GLN 88 2HE2 GLN 88 12.667 -1.121 9.197 600 H LEU 89 H LEU 89 9.324 -2.752 3.275 601 HA LEU 89 HA LEU 89 11.429 -1.546 1.867 602 HB2 LEU 89 1HB LEU 89 8.662 -2.479 1.171 603 HB3 LEU 89 2HB LEU 89 9.634 -1.621 -0.007 604 HG LEU 89 HG LEU 89 10.627 -4.104 1.402 605 HD11 LEU 89 1HD1 LEU 89 8.705 -3.845 -0.846 606 HD12 LEU 89 2HD1 LEU 89 10.003 -5.047 -1.033 607 HD13 LEU 89 3HD1 LEU 89 8.902 -5.136 0.363 608 HD21 LEU 89 1HD2 LEU 89 11.557 -2.441 -0.916 609 HD22 LEU 89 2HD2 LEU 89 12.475 -3.097 0.462 610 HD23 LEU 89 3HD2 LEU 89 11.947 -4.177 -0.851 611 H LEU 90 H LEU 90 8.113 -0.400 2.766 612 HA LEU 90 HA LEU 90 8.276 2.056 1.498 613 HB2 LEU 90 1HB LEU 90 6.680 0.866 3.703 614 HB3 LEU 90 2HB LEU 90 6.672 2.613 3.568 615 HG LEU 90 HG LEU 90 4.853 1.163 2.367 616 HD11 LEU 90 1HD1 LEU 90 4.720 3.483 2.151 617 HD12 LEU 90 2HD1 LEU 90 6.263 3.589 1.270 618 HD13 LEU 90 3HD1 LEU 90 4.828 2.902 0.472 619 HD21 LEU 90 1HD2 LEU 90 6.534 -0.267 1.199 620 HD22 LEU 90 2HD2 LEU 90 5.345 0.499 0.118 621 HD23 LEU 90 3HD2 LEU 90 6.997 1.152 0.229 622 H ARG 91 H ARG 91 9.779 0.848 4.460 623 HA ARG 91 HA ARG 91 10.302 3.396 5.518 624 HB2 ARG 91 1HB ARG 91 10.653 0.666 6.305 625 HB3 ARG 91 2HB ARG 91 12.250 1.387 6.357 626 HG2 ARG 91 1HG ARG 91 11.134 3.351 7.657 627 HG3 ARG 91 2HG ARG 91 9.749 2.293 7.838 628 HD2 ARG 91 1HD ARG 91 10.855 0.848 9.291 629 HD3 ARG 91 2HD ARG 91 12.417 1.107 8.540 630 HE ARG 91 HE ARG 91 11.780 3.577 9.684 631 HH11 ARG 91 2HH2 ARG 91 12.135 0.281 10.866 632 HH12 ARG 91 1HH2 ARG 91 12.640 0.768 12.450 633 HH21 ARG 91 2HH1 ARG 91 12.446 4.219 11.773 634 HH22 ARG 91 1HH1 ARG 91 12.818 3.023 12.969 635 H ASP 92 H ASP 92 12.504 0.873 4.065 636 HA ASP 92 HA ASP 92 14.700 2.497 3.902 637 HB2 ASP 92 1HB ASP 92 14.257 -0.101 3.404 638 HB3 ASP 92 2HB ASP 92 14.148 0.453 1.745 639 H ALA 93 H ALA 93 11.790 2.211 1.886 640 HA ALA 93 HA ALA 93 12.857 3.433 -0.437 641 HB1 ALA 93 1HB ALA 93 10.494 3.546 -1.115 642 HB2 ALA 93 2HB ALA 93 10.870 1.952 -0.416 643 HB3 ALA 93 3HB ALA 93 9.987 3.161 0.548 644 H ALA 94 H ALA 94 11.305 4.573 2.582 645 HA ALA 94 HA ALA 94 10.813 7.195 1.714 646 HB1 ALA 94 1HB ALA 94 10.802 7.619 4.237 647 HB2 ALA 94 2HB ALA 94 9.685 6.364 3.649 648 HB3 ALA 94 3HB ALA 94 11.215 5.899 4.431 649 H LEU 95 H LEU 95 13.662 5.547 3.159 650 HA LEU 95 HA LEU 95 15.144 7.855 3.673 651 HB2 LEU 95 1HB LEU 95 16.136 5.087 2.977 652 HB3 LEU 95 2HB LEU 95 17.051 6.352 3.773 653 HG LEU 95 HG LEU 95 14.644 4.887 4.884 654 HD11 LEU 95 1HD1 LEU 95 17.403 4.255 4.876 655 HD12 LEU 95 2HD1 LEU 95 16.989 4.771 6.529 656 HD13 LEU 95 3HD1 LEU 95 16.084 3.447 5.757 657 HD21 LEU 95 1HD2 LEU 95 16.187 7.238 5.992 658 HD22 LEU 95 2HD2 LEU 95 14.439 7.108 5.681 659 HD23 LEU 95 3HD2 LEU 95 15.182 6.166 6.997 660 H ALA 96 H ALA 96 14.093 6.453 0.707 661 HA ALA 96 HA ALA 96 16.322 7.588 -0.784 662 HB1 ALA 96 1HB ALA 96 15.874 5.633 -1.854 663 HB2 ALA 96 2HB ALA 96 14.216 5.546 -1.213 664 HB3 ALA 96 3HB ALA 96 14.570 6.564 -2.629 665 H HIS 97 H HIS 97 13.331 8.536 0.542 666 HA HIS 97 HA HIS 97 12.124 10.357 0.325 667 HB2 HIS 97 1HB HIS 97 14.296 11.267 -1.581 668 HB3 HIS 97 2HB HIS 97 12.992 12.285 -1.003 669 HD1 HIS 97 1HD HIS 97 14.248 13.909 0.469 670 HD2 HIS 97 2HD HIS 97 15.180 9.908 1.316 671 HE1 HIS 97 1HE HIS 97 15.701 13.942 2.566 672 H LYS 98 H LYS 98 12.354 7.958 -1.804 673 HA LYS 98 HA LYS 98 10.062 8.881 -3.277 674 HB2 LYS 98 1HB LYS 98 12.391 9.500 -4.471 675 HB3 LYS 98 2HB LYS 98 12.232 7.851 -5.041 676 HG2 LYS 98 1HG LYS 98 9.673 8.718 -5.462 677 HG3 LYS 98 2HG LYS 98 10.524 10.240 -5.636 678 HD2 LYS 98 1HD LYS 98 10.665 9.461 -7.825 679 HD3 LYS 98 2HD LYS 98 12.159 8.807 -7.184 680 HE2 LYS 98 1HE LYS 98 10.977 6.637 -6.695 681 HE3 LYS 98 2HE LYS 98 9.510 7.296 -7.392 682 HZ1 LYS 98 1HZ LYS 98 12.037 6.727 -8.753 683 HZ2 LYS 98 2HZ LYS 98 10.551 6.140 -9.091 684 HZ3 LYS 98 3HZ LYS 98 10.910 7.698 -9.425 685 H VAL 99 H VAL 99 9.023 7.060 -4.469 686 HA VAL 99 HA VAL 99 10.034 4.432 -4.036 687 HB VAL 99 HB VAL 99 9.155 5.103 -1.781 688 HG11 VAL 99 1HG1 VAL 99 6.864 5.850 -3.371 689 HG12 VAL 99 2HG1 VAL 99 6.395 4.633 -2.160 690 HG13 VAL 99 3HG1 VAL 99 7.186 6.142 -1.645 691 HG21 VAL 99 1HG2 VAL 99 7.675 2.797 -3.087 692 HG22 VAL 99 2HG2 VAL 99 9.374 2.741 -2.560 693 HG23 VAL 99 3HG2 VAL 99 8.079 2.981 -1.363 694 H VAL 100 H VAL 100 8.404 2.777 -4.899 695 HA VAL 100 HA VAL 100 6.554 4.050 -6.781 696 HB VAL 100 HB VAL 100 8.721 2.035 -7.355 697 HG11 VAL 100 1HG1 VAL 100 7.434 0.994 -8.847 698 HG12 VAL 100 2HG1 VAL 100 6.061 2.047 -8.431 699 HG13 VAL 100 3HG1 VAL 100 7.201 2.535 -9.708 700 HG21 VAL 100 1HG2 VAL 100 9.689 3.634 -8.640 701 HG22 VAL 100 2HG2 VAL 100 8.129 4.303 -9.178 702 HG23 VAL 100 3HG2 VAL 100 8.777 4.732 -7.577 703 H LEU 101 H LEU 101 4.538 3.274 -6.466 704 HA LEU 101 HA LEU 101 4.338 0.615 -5.237 705 HB2 LEU 101 1HB LEU 101 2.169 2.685 -5.177 706 HB3 LEU 101 2HB LEU 101 2.408 1.300 -4.131 707 HG LEU 101 HG LEU 101 2.866 3.321 -2.908 708 HD11 LEU 101 1HD1 LEU 101 4.883 2.727 -1.910 709 HD12 LEU 101 2HD1 LEU 101 4.328 1.210 -2.658 710 HD13 LEU 101 3HD1 LEU 101 5.599 2.177 -3.444 711 HD21 LEU 101 1HD2 LEU 101 3.589 4.502 -5.170 712 HD22 LEU 101 2HD2 LEU 101 4.150 5.081 -3.583 713 HD23 LEU 101 3HD2 LEU 101 5.216 4.071 -4.589 714 H GLU 102 H GLU 102 3.219 -0.988 -6.284 715 HA GLU 102 HA GLU 102 2.074 -0.177 -8.840 716 HB2 GLU 102 1HB GLU 102 4.038 -1.678 -9.028 717 HB3 GLU 102 2HB GLU 102 3.255 -2.862 -8.000 718 HG2 GLU 102 1HG GLU 102 2.139 -3.730 -9.771 719 HG3 GLU 102 2HG GLU 102 1.424 -2.171 -10.131 720 H VAL 103 H VAL 103 -0.128 -0.082 -8.759 721 HA VAL 103 HA VAL 103 -1.487 -1.866 -6.887 722 HB VAL 103 HB VAL 103 -2.824 0.304 -8.453 723 HG11 VAL 103 1HG1 VAL 103 -3.469 0.196 -5.654 724 HG12 VAL 103 2HG1 VAL 103 -4.505 -0.147 -7.060 725 HG13 VAL 103 3HG1 VAL 103 -3.530 -1.447 -6.334 726 HG21 VAL 103 1HG2 VAL 103 -0.696 0.679 -6.405 727 HG22 VAL 103 2HG2 VAL 103 -1.198 1.733 -7.748 728 HG23 VAL 103 3HG2 VAL 103 -2.153 1.689 -6.246 729 H GLU 104 H GLU 104 -3.451 -3.017 -7.625 730 HA GLU 104 HA GLU 104 -3.300 -3.575 -10.484 731 HB2 GLU 104 1HB GLU 104 -2.423 -5.370 -8.723 732 HB3 GLU 104 2HB GLU 104 -4.130 -5.715 -8.522 733 HG2 GLU 104 1HG GLU 104 -4.172 -5.807 -11.164 734 HG3 GLU 104 2HG GLU 104 -2.434 -5.987 -11.023 735 H PHE 105 H PHE 105 -5.238 -3.451 -11.584 736 HA PHE 105 HA PHE 105 -7.708 -3.895 -10.224 737 HB2 PHE 105 1HB PHE 105 -8.483 -1.500 -10.830 738 HB3 PHE 105 2HB PHE 105 -7.335 -1.584 -9.509 739 HD1 PHE 105 2HD PHE 105 -7.288 -1.296 -13.237 740 HD2 PHE 105 1HD PHE 105 -5.599 -0.076 -9.541 741 HE1 PHE 105 2HE PHE 105 -5.772 0.291 -14.454 742 HE2 PHE 105 1HE PHE 105 -4.083 1.511 -10.757 743 HZ PHE 105 HZ PHE 105 -4.187 1.676 -13.200 744 H ASP 106 H ASP 106 -9.612 -3.476 -11.788 745 HA ASP 106 HA ASP 106 -8.667 -4.243 -14.423 746 HB2 ASP 106 1HB ASP 106 -10.562 -5.398 -12.805 747 HB3 ASP 106 2HB ASP 106 -11.583 -4.329 -13.746 748 H SER 107 H SER 107 -9.201 -1.448 -12.905 749 HA SER 107 HA SER 107 -9.878 0.550 -13.413 750 HB2 SER 107 1HB SER 107 -9.576 1.312 -15.613 751 HB3 SER 107 2HB SER 107 -8.602 -0.144 -15.586 752 HG SER 107 HG SER 107 -9.808 -0.893 -17.176 753 H GLY 108 H GLY 108 -11.880 0.970 -12.522 754 HA2 GLY 108 1HA GLY 108 -14.170 1.239 -14.017 755 HA3 GLY 108 2HA GLY 108 -14.245 -0.389 -13.372 756 HA PRO 109 HA PRO 109 -15.598 2.652 -10.170 757 HB2 PRO 109 1HB PRO 109 -18.303 2.268 -10.229 758 HB3 PRO 109 2HB PRO 109 -17.503 3.584 -11.065 759 HG2 PRO 109 1HG PRO 109 -18.647 1.100 -12.187 760 HG3 PRO 109 2HG PRO 109 -18.238 2.590 -13.013 761 HD2 PRO 109 1HD PRO 109 -16.738 0.146 -13.040 762 HD3 PRO 109 2HD PRO 109 -16.272 1.670 -13.769 763 H SER 110 H SER 110 -15.385 2.078 -8.095 764 HA SER 110 HA SER 110 -16.767 -0.291 -7.296 765 HB2 SER 110 1HB SER 110 -14.731 -1.317 -8.156 766 HB3 SER 110 2HB SER 110 -13.723 -0.157 -7.314 767 HG SER 110 HG SER 110 -15.483 -1.539 -5.622 768 H SER 111 H SER 111 -17.504 0.041 -5.217 769 HA SER 111 HA SER 111 -15.883 1.641 -3.456 770 HB2 SER 111 1HB SER 111 -17.245 3.381 -4.410 771 HB3 SER 111 2HB SER 111 -18.694 2.399 -4.332 772 HG SER 111 HG SER 111 -18.556 4.026 -2.620 773 H GLY 112 H GLY 112 -16.502 1.348 -1.167 774 HA2 GLY 112 1HA GLY 112 -17.815 0.376 0.507 775 HA3 GLY 112 2HA GLY 112 -18.530 -0.713 -0.664 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -3.793 3.022 -46.317 2 HA2 GLY 1 1HA GLY 1 -4.961 3.955 -48.826 3 HA3 GLY 1 2HA GLY 1 -3.289 3.432 -48.875 4 H SER 2 H SER 2 -2.901 1.215 -47.598 5 HA SER 2 HA SER 2 -4.534 -0.650 -48.937 6 HB2 SER 2 1HB SER 2 -1.996 -0.617 -47.552 7 HB3 SER 2 2HB SER 2 -2.952 -1.943 -46.921 8 HG SER 2 HG SER 2 -1.630 -2.474 -48.840 9 H SER 3 H SER 3 -5.664 -2.511 -47.803 10 HA SER 3 HA SER 3 -6.676 -1.646 -45.210 11 HB2 SER 3 1HB SER 3 -8.135 -1.972 -47.680 12 HB3 SER 3 2HB SER 3 -8.674 -3.210 -46.562 13 HG SER 3 HG SER 3 -9.129 -1.561 -44.990 14 H GLY 4 H GLY 4 -6.058 -3.139 -43.693 15 HA2 GLY 4 1HA GLY 4 -6.746 -5.729 -43.532 16 HA3 GLY 4 2HA GLY 4 -5.302 -5.811 -44.522 17 H SER 5 H SER 5 -3.819 -6.698 -43.085 18 HA SER 5 HA SER 5 -2.388 -6.788 -41.457 19 HB2 SER 5 1HB SER 5 -1.600 -4.595 -42.000 20 HB3 SER 5 2HB SER 5 -3.013 -3.820 -41.311 21 HG SER 5 HG SER 5 -0.722 -4.146 -40.091 22 H SER 6 H SER 6 -2.564 -7.701 -39.416 23 HA SER 6 HA SER 6 -4.060 -6.582 -37.376 24 HB2 SER 6 1HB SER 6 -5.684 -7.976 -39.242 25 HB3 SER 6 2HB SER 6 -5.522 -9.060 -37.875 26 HG SER 6 HG SER 6 -6.938 -7.844 -36.845 27 H GLY 7 H GLY 7 -3.292 -7.478 -35.461 28 HA2 GLY 7 1HA GLY 7 -2.146 -10.190 -35.588 29 HA3 GLY 7 2HA GLY 7 -1.177 -8.851 -35.007 30 H GLY 8 H GLY 8 -1.075 -10.126 -32.954 31 HA2 GLY 8 1HA GLY 8 -2.690 -9.087 -30.964 32 HA3 GLY 8 2HA GLY 8 -3.426 -10.607 -31.431 33 H GLY 9 H GLY 9 -2.206 -10.031 -28.848 34 HA2 GLY 9 1HA GLY 9 -0.189 -12.166 -28.853 35 HA3 GLY 9 2HA GLY 9 0.231 -10.613 -28.159 36 H GLN 10 H GLN 10 -0.006 -10.515 -25.974 37 HA GLN 10 HA GLN 10 -1.781 -12.419 -24.750 38 HB2 GLN 10 1HB GLN 10 0.392 -10.565 -23.737 39 HB3 GLN 10 2HB GLN 10 -0.726 -11.309 -22.610 40 HG2 GLN 10 1HG GLN 10 0.514 -13.203 -22.665 41 HG3 GLN 10 2HG GLN 10 0.101 -13.404 -24.355 42 HE21 GLN 10 1HE2 GLN 10 2.552 -14.056 -22.949 43 HE22 GLN 10 2HE2 GLN 10 3.846 -13.204 -23.722 44 H ILE 11 H ILE 11 -3.874 -11.904 -24.302 45 HA ILE 11 HA ILE 11 -4.840 -9.286 -24.616 46 HB ILE 11 HB ILE 11 -6.055 -11.757 -23.380 47 HG12 ILE 11 1HG1 ILE 11 -5.340 -11.768 -25.834 48 HG13 ILE 11 2HG1 ILE 11 -6.993 -12.222 -25.469 49 HG21 ILE 11 1HG2 ILE 11 -7.331 -9.106 -24.097 50 HG22 ILE 11 2HG2 ILE 11 -8.232 -10.603 -23.758 51 HG23 ILE 11 3HG2 ILE 11 -7.227 -9.863 -22.489 52 HD11 ILE 11 1HD1 ILE 11 -6.718 -10.594 -27.415 53 HD12 ILE 11 2HD1 ILE 11 -7.842 -10.060 -26.143 54 HD13 ILE 11 3HD1 ILE 11 -6.200 -9.377 -26.224 55 H VAL 12 H VAL 12 -4.955 -7.585 -23.237 56 HA VAL 12 HA VAL 12 -3.675 -7.799 -20.718 57 HB VAL 12 HB VAL 12 -5.249 -5.621 -22.095 58 HG11 VAL 12 1HG1 VAL 12 -4.407 -4.073 -20.395 59 HG12 VAL 12 2HG1 VAL 12 -5.415 -5.339 -19.654 60 HG13 VAL 12 3HG1 VAL 12 -3.641 -5.424 -19.525 61 HG21 VAL 12 1HG2 VAL 12 -2.271 -5.794 -21.553 62 HG22 VAL 12 2HG2 VAL 12 -3.031 -6.365 -23.058 63 HG23 VAL 12 3HG2 VAL 12 -3.131 -4.646 -22.608 64 H HIS 13 H HIS 13 -4.569 -8.834 -19.009 65 HA HIS 13 HA HIS 13 -7.410 -9.090 -18.839 66 HB2 HIS 13 1HB HIS 13 -5.701 -10.848 -18.205 67 HB3 HIS 13 2HB HIS 13 -5.322 -9.880 -16.794 68 HD1 HIS 13 1HD HIS 13 -6.791 -10.179 -14.758 69 HD2 HIS 13 2HD HIS 13 -8.488 -11.810 -18.231 70 HE1 HIS 13 1HE HIS 13 -8.870 -11.454 -14.007 71 H THR 14 H THR 14 -4.915 -7.788 -16.528 72 HA THR 14 HA THR 14 -6.944 -5.813 -15.707 73 HB THR 14 HB THR 14 -4.691 -6.823 -13.935 74 HG1 THR 14 1HG THR 14 -7.388 -7.916 -14.295 75 HG21 THR 14 1HG2 THR 14 -6.638 -6.575 -12.242 76 HG22 THR 14 2HG2 THR 14 -5.993 -5.058 -12.913 77 HG23 THR 14 3HG2 THR 14 -7.517 -5.731 -13.539 78 H GLU 15 H GLU 15 -5.710 -3.911 -14.465 79 HA GLU 15 HA GLU 15 -3.543 -3.158 -16.269 80 HB2 GLU 15 1HB GLU 15 -5.879 -1.558 -15.193 81 HB3 GLU 15 2HB GLU 15 -4.404 -0.740 -15.666 82 HG2 GLU 15 1HG GLU 15 -4.977 -2.580 -17.771 83 HG3 GLU 15 2HG GLU 15 -6.511 -1.841 -17.356 84 H THR 16 H THR 16 -2.074 -1.384 -15.269 85 HA THR 16 HA THR 16 -1.953 -1.571 -12.356 86 HB THR 16 HB THR 16 0.627 -1.995 -12.789 87 HG1 THR 16 1HG THR 16 0.765 -3.261 -14.848 88 HG21 THR 16 1HG2 THR 16 0.158 -4.112 -12.070 89 HG22 THR 16 2HG2 THR 16 -1.568 -3.774 -12.348 90 HG23 THR 16 3HG2 THR 16 -0.585 -4.509 -13.639 91 H THR 17 H THR 17 -1.052 0.212 -11.336 92 HA THR 17 HA THR 17 -0.248 2.381 -13.160 93 HB THR 17 HB THR 17 -2.640 2.492 -12.132 94 HG1 THR 17 1HG THR 17 -0.567 4.467 -11.477 95 HG21 THR 17 1HG2 THR 17 -2.674 3.471 -9.831 96 HG22 THR 17 2HG2 THR 17 -2.045 1.806 -9.800 97 HG23 THR 17 3HG2 THR 17 -0.923 3.183 -9.688 98 H GLU 18 H GLU 18 1.461 3.685 -12.537 99 HA GLU 18 HA GLU 18 2.883 2.629 -10.222 100 HB2 GLU 18 1HB GLU 18 4.024 2.378 -12.434 101 HB3 GLU 18 2HB GLU 18 3.985 4.117 -12.648 102 HG2 GLU 18 1HG GLU 18 5.537 4.505 -10.894 103 HG3 GLU 18 2HG GLU 18 5.224 2.955 -10.138 104 H VAL 19 H VAL 19 3.032 3.934 -8.448 105 HA VAL 19 HA VAL 19 2.592 6.806 -8.897 106 HB VAL 19 HB VAL 19 1.847 5.000 -6.593 107 HG11 VAL 19 1HG1 VAL 19 0.845 7.689 -6.313 108 HG12 VAL 19 2HG1 VAL 19 1.836 6.731 -5.187 109 HG13 VAL 19 3HG1 VAL 19 2.620 7.717 -6.445 110 HG21 VAL 19 1HG2 VAL 19 0.392 5.121 -8.692 111 HG22 VAL 19 2HG2 VAL 19 -0.406 5.465 -7.139 112 HG23 VAL 19 3HG2 VAL 19 0.045 6.803 -8.224 113 H VAL 20 H VAL 20 4.164 8.212 -8.223 114 HA VAL 20 HA VAL 20 6.415 6.988 -6.784 115 HB VAL 20 HB VAL 20 6.316 9.238 -8.799 116 HG11 VAL 20 1HG1 VAL 20 7.960 9.922 -7.248 117 HG12 VAL 20 2HG1 VAL 20 8.565 8.263 -7.027 118 HG13 VAL 20 3HG1 VAL 20 8.863 9.122 -8.556 119 HG21 VAL 20 1HG2 VAL 20 8.186 7.251 -9.525 120 HG22 VAL 20 2HG2 VAL 20 6.716 6.386 -9.016 121 HG23 VAL 20 3HG2 VAL 20 6.625 7.616 -10.299 122 H LEU 21 H LEU 21 6.301 7.499 -4.656 123 HA LEU 21 HA LEU 21 5.214 10.126 -3.971 124 HB2 LEU 21 1HB LEU 21 5.626 7.618 -2.341 125 HB3 LEU 21 2HB LEU 21 5.086 9.147 -1.675 126 HG LEU 21 HG LEU 21 3.631 7.431 -3.702 127 HD11 LEU 21 1HD1 LEU 21 2.743 8.230 -0.925 128 HD12 LEU 21 2HD1 LEU 21 2.038 7.001 -2.003 129 HD13 LEU 21 3HD1 LEU 21 3.638 6.731 -1.271 130 HD21 LEU 21 1HD2 LEU 21 3.282 9.755 -4.289 131 HD22 LEU 21 2HD2 LEU 21 1.804 9.084 -3.559 132 HD23 LEU 21 3HD2 LEU 21 2.864 10.149 -2.604 133 H CYS 22 H CYS 22 6.400 11.637 -2.771 134 HA CYS 22 HA CYS 22 9.198 10.898 -2.330 135 HB2 CYS 22 1HB CYS 22 9.473 13.523 -2.838 136 HB3 CYS 22 2HB CYS 22 9.633 12.286 -4.069 137 HG CYS 22 HG CYS 22 7.176 14.329 -3.328 138 H GLY 23 H GLY 23 9.505 10.928 -0.129 139 HA2 GLY 23 1HA GLY 23 8.562 13.232 1.383 140 HA3 GLY 23 2HA GLY 23 7.891 11.680 1.841 141 H ASP 24 H ASP 24 9.350 12.997 3.750 142 HA ASP 24 HA ASP 24 12.081 12.237 3.594 143 HB2 ASP 24 1HB ASP 24 10.447 13.188 5.994 144 HB3 ASP 24 2HB ASP 24 12.197 13.143 5.905 145 HA PRO 25 HA PRO 25 11.610 8.388 5.642 146 HB2 PRO 25 1HB PRO 25 14.003 8.095 6.929 147 HB3 PRO 25 2HB PRO 25 13.791 7.781 5.218 148 HG2 PRO 25 1HG PRO 25 15.086 10.091 6.532 149 HG3 PRO 25 2HG PRO 25 15.232 9.548 4.872 150 HD2 PRO 25 1HD PRO 25 13.690 11.772 5.821 151 HD3 PRO 25 2HD PRO 25 13.744 11.159 4.180 152 H LEU 26 H LEU 26 12.574 11.063 7.646 153 HA LEU 26 HA LEU 26 12.120 9.862 10.103 154 HB2 LEU 26 1HB LEU 26 12.383 12.581 9.021 155 HB3 LEU 26 2HB LEU 26 11.424 12.482 10.485 156 HG LEU 26 HG LEU 26 13.906 12.952 10.752 157 HD11 LEU 26 1HD1 LEU 26 13.888 10.826 12.539 158 HD12 LEU 26 2HD1 LEU 26 13.263 12.468 12.826 159 HD13 LEU 26 3HD1 LEU 26 12.164 11.182 12.270 160 HD21 LEU 26 1HD2 LEU 26 14.418 11.030 9.039 161 HD22 LEU 26 2HD2 LEU 26 15.522 11.358 10.396 162 HD23 LEU 26 3HD2 LEU 26 14.370 10.004 10.493 163 H SER 27 H SER 27 9.863 11.878 8.088 164 HA SER 27 HA SER 27 7.709 11.070 9.790 165 HB2 SER 27 1HB SER 27 8.103 13.016 7.542 166 HB3 SER 27 2HB SER 27 6.475 12.409 7.774 167 HG SER 27 HG SER 27 7.739 13.173 10.162 168 H GLY 28 H GLY 28 9.215 10.134 6.749 169 HA2 GLY 28 1HA GLY 28 8.866 8.139 5.658 170 HA3 GLY 28 2HA GLY 28 7.344 7.919 6.499 171 H PHE 29 H PHE 29 5.644 7.910 5.100 172 HA PHE 29 HA PHE 29 5.686 9.938 2.980 173 HB2 PHE 29 1HB PHE 29 4.932 6.968 3.022 174 HB3 PHE 29 2HB PHE 29 4.287 8.023 1.781 175 HD1 PHE 29 1HD PHE 29 6.398 9.657 0.873 176 HD2 PHE 29 2HD PHE 29 6.620 5.638 2.214 177 HE1 PHE 29 1HE PHE 29 8.473 9.315 -0.498 178 HE2 PHE 29 2HE PHE 29 8.695 5.295 0.844 179 HZ PHE 29 HZ PHE 29 9.597 7.138 -0.495 180 H GLY 30 H GLY 30 3.204 7.455 3.748 181 HA2 GLY 30 1HA GLY 30 1.524 8.535 5.477 182 HA3 GLY 30 2HA GLY 30 1.251 9.595 4.109 183 H LEU 31 H LEU 31 1.718 6.021 4.649 184 HA LEU 31 HA LEU 31 -0.878 5.514 3.531 185 HB2 LEU 31 1HB LEU 31 -0.246 4.315 1.627 186 HB3 LEU 31 2HB LEU 31 0.606 5.844 1.545 187 HG LEU 31 HG LEU 31 2.465 4.253 2.793 188 HD11 LEU 31 1HD1 LEU 31 0.568 2.442 1.780 189 HD12 LEU 31 2HD1 LEU 31 1.950 2.381 0.660 190 HD13 LEU 31 3HD1 LEU 31 2.199 2.086 2.398 191 HD21 LEU 31 1HD2 LEU 31 3.536 4.133 0.514 192 HD22 LEU 31 2HD2 LEU 31 2.055 4.874 -0.139 193 HD23 LEU 31 3HD2 LEU 31 3.044 5.757 1.049 194 H GLN 32 H GLN 32 -1.747 3.742 4.512 195 HA GLN 32 HA GLN 32 0.151 2.135 6.034 196 HB2 GLN 32 1HB GLN 32 -2.480 3.319 6.683 197 HB3 GLN 32 2HB GLN 32 -2.364 1.627 7.122 198 HG2 GLN 32 1HG GLN 32 -0.118 3.539 7.839 199 HG3 GLN 32 2HG GLN 32 -1.558 3.465 8.834 200 HE21 GLN 32 1HE2 GLN 32 1.273 1.802 7.703 201 HE22 GLN 32 2HE2 GLN 32 1.248 0.470 8.809 202 H LEU 33 H LEU 33 0.319 -0.030 5.561 203 HA LEU 33 HA LEU 33 -1.407 -1.025 3.456 204 HB2 LEU 33 1HB LEU 33 1.194 -1.870 4.680 205 HB3 LEU 33 2HB LEU 33 0.246 -3.024 3.764 206 HG LEU 33 HG LEU 33 1.251 -0.367 2.707 207 HD11 LEU 33 1HD1 LEU 33 2.386 -3.135 2.653 208 HD12 LEU 33 2HD1 LEU 33 2.617 -2.077 1.240 209 HD13 LEU 33 3HD1 LEU 33 3.201 -1.563 2.841 210 HD21 LEU 33 1HD2 LEU 33 -0.463 -2.527 1.534 211 HD22 LEU 33 2HD2 LEU 33 -0.601 -0.757 1.404 212 HD23 LEU 33 3HD2 LEU 33 0.653 -1.622 0.483 213 H GLN 34 H GLN 34 -2.343 -3.261 3.654 214 HA GLN 34 HA GLN 34 -2.911 -3.943 6.413 215 HB2 GLN 34 1HB GLN 34 -4.901 -2.801 6.076 216 HB3 GLN 34 2HB GLN 34 -4.890 -3.057 4.343 217 HG2 GLN 34 1HG GLN 34 -5.766 -5.252 4.520 218 HG3 GLN 34 2HG GLN 34 -5.244 -5.437 6.182 219 HE21 GLN 34 1HE2 GLN 34 -7.631 -4.162 4.021 220 HE22 GLN 34 2HE2 GLN 34 -8.830 -3.716 5.189 221 H GLY 35 H GLY 35 -2.232 -6.028 6.629 222 HA2 GLY 35 1HA GLY 35 -3.030 -7.957 4.569 223 HA3 GLY 35 2HA GLY 35 -1.325 -7.797 4.941 224 H GLY 36 H GLY 36 -1.108 -9.905 5.835 225 HA2 GLY 36 1HA GLY 36 -2.783 -11.139 7.638 226 HA3 GLY 36 2HA GLY 36 -1.053 -11.394 7.519 227 H ILE 37 H ILE 37 -1.910 -11.713 10.007 228 HA ILE 37 HA ILE 37 -1.853 -9.161 11.388 229 HB ILE 37 HB ILE 37 -2.306 -11.998 12.312 230 HG12 ILE 37 1HG1 ILE 37 -4.586 -10.701 12.879 231 HG13 ILE 37 2HG1 ILE 37 -4.074 -9.734 11.510 232 HG21 ILE 37 1HG2 ILE 37 -1.343 -9.865 13.850 233 HG22 ILE 37 2HG2 ILE 37 -3.084 -9.958 14.210 234 HG23 ILE 37 3HG2 ILE 37 -2.051 -11.391 14.432 235 HD11 ILE 37 1HD1 ILE 37 -3.632 -12.505 10.842 236 HD12 ILE 37 2HD1 ILE 37 -5.284 -12.333 11.480 237 HD13 ILE 37 3HD1 ILE 37 -4.761 -11.353 10.090 238 H PHE 38 H PHE 38 0.053 -12.211 11.070 239 HA PHE 38 HA PHE 38 2.104 -11.169 12.790 240 HB2 PHE 38 1HB PHE 38 1.719 -13.621 10.980 241 HB3 PHE 38 2HB PHE 38 3.195 -13.381 11.893 242 HD1 PHE 38 1HD PHE 38 -0.407 -14.066 12.154 243 HD2 PHE 38 2HD PHE 38 3.264 -13.763 14.261 244 HE1 PHE 38 1HE PHE 38 -1.457 -15.180 14.144 245 HE2 PHE 38 2HE PHE 38 2.214 -14.877 16.251 246 HZ PHE 38 HZ PHE 38 -0.134 -15.572 16.168 247 H ALA 39 H ALA 39 3.678 -9.790 12.131 248 HA ALA 39 HA ALA 39 3.978 -8.785 9.641 249 HB1 ALA 39 1HB ALA 39 5.402 -8.786 12.139 250 HB2 ALA 39 2HB ALA 39 6.580 -8.942 10.814 251 HB3 ALA 39 3HB ALA 39 5.441 -7.574 10.837 252 H THR 40 H THR 40 5.562 -11.726 11.022 253 HA THR 40 HA THR 40 7.069 -12.237 8.659 254 HB THR 40 HB THR 40 7.292 -14.518 9.927 255 HG1 THR 40 1HG THR 40 6.198 -14.514 11.916 256 HG21 THR 40 1HG2 THR 40 7.915 -11.965 11.502 257 HG22 THR 40 2HG2 THR 40 8.690 -13.553 11.719 258 HG23 THR 40 3HG2 THR 40 8.957 -12.630 10.221 259 H GLU 41 H GLU 41 6.681 -14.933 8.119 260 HA GLU 41 HA GLU 41 5.490 -16.303 6.926 261 HB2 GLU 41 1HB GLU 41 3.048 -14.838 8.020 262 HB3 GLU 41 2HB GLU 41 2.995 -16.362 7.156 263 HG2 GLU 41 1HG GLU 41 4.952 -16.671 9.227 264 HG3 GLU 41 2HG GLU 41 3.570 -15.885 9.964 265 H THR 42 H THR 42 5.856 -16.009 4.767 266 HA THR 42 HA THR 42 5.719 -13.747 3.327 267 HB THR 42 HB THR 42 4.831 -16.477 2.274 268 HG1 THR 42 1HG THR 42 7.449 -15.319 2.936 269 HG21 THR 42 1HG2 THR 42 5.027 -14.462 0.675 270 HG22 THR 42 2HG2 THR 42 6.753 -14.405 1.106 271 HG23 THR 42 3HG2 THR 42 6.085 -15.841 0.292 272 H LEU 43 H LEU 43 4.216 -12.905 1.682 273 HA LEU 43 HA LEU 43 1.502 -13.002 2.770 274 HB2 LEU 43 1HB LEU 43 3.031 -10.964 1.169 275 HB3 LEU 43 2HB LEU 43 1.284 -10.910 1.300 276 HG LEU 43 HG LEU 43 3.191 -10.830 3.654 277 HD11 LEU 43 1HD1 LEU 43 3.593 -8.738 2.960 278 HD12 LEU 43 2HD1 LEU 43 2.199 -8.726 1.853 279 HD13 LEU 43 3HD1 LEU 43 1.963 -8.388 3.585 280 HD21 LEU 43 1HD2 LEU 43 1.442 -11.031 5.009 281 HD22 LEU 43 2HD2 LEU 43 0.520 -9.798 4.114 282 HD23 LEU 43 3HD2 LEU 43 0.481 -11.497 3.585 283 H SER 44 H SER 44 0.049 -14.265 1.756 284 HA SER 44 HA SER 44 0.709 -15.317 -0.799 285 HB2 SER 44 1HB SER 44 -1.448 -15.734 1.248 286 HB3 SER 44 2HB SER 44 -1.820 -16.200 -0.400 287 HG SER 44 HG SER 44 -0.855 -17.934 0.899 288 H SER 45 H SER 45 -1.090 -12.601 0.480 289 HA SER 45 HA SER 45 -2.014 -12.063 -2.223 290 HB2 SER 45 1HB SER 45 -4.171 -11.311 -1.454 291 HB3 SER 45 2HB SER 45 -3.912 -12.904 -0.773 292 HG SER 45 HG SER 45 -3.661 -10.350 0.556 293 HA PRO 46 HA PRO 46 -0.403 -8.106 -1.399 294 HB2 PRO 46 1HB PRO 46 -1.897 -6.483 -3.012 295 HB3 PRO 46 2HB PRO 46 -0.573 -7.467 -3.604 296 HG2 PRO 46 1HG PRO 46 -3.483 -7.901 -3.899 297 HG3 PRO 46 2HG PRO 46 -2.169 -8.608 -4.818 298 HD2 PRO 46 1HD PRO 46 -3.696 -9.880 -2.749 299 HD3 PRO 46 2HD PRO 46 -2.308 -10.545 -3.587 300 HA PRO 47 HA PRO 47 -2.671 -6.344 1.744 301 HB2 PRO 47 1HB PRO 47 -0.919 -4.403 2.539 302 HB3 PRO 47 2HB PRO 47 -0.808 -6.069 3.070 303 HG2 PRO 47 1HG PRO 47 0.857 -4.641 1.088 304 HG3 PRO 47 2HG PRO 47 1.199 -6.136 1.936 305 HD2 PRO 47 1HD PRO 47 0.354 -5.864 -0.792 306 HD3 PRO 47 2HD PRO 47 0.584 -7.361 0.090 307 H LEU 48 H LEU 48 -4.257 -4.844 2.056 308 HA LEU 48 HA LEU 48 -4.439 -2.973 -0.161 309 HB2 LEU 48 1HB LEU 48 -6.530 -3.332 1.949 310 HB3 LEU 48 2HB LEU 48 -6.707 -2.860 0.271 311 HG LEU 48 HG LEU 48 -5.610 -5.553 0.526 312 HD11 LEU 48 1HD1 LEU 48 -8.205 -4.910 1.926 313 HD12 LEU 48 2HD1 LEU 48 -7.855 -6.524 1.260 314 HD13 LEU 48 3HD1 LEU 48 -6.809 -5.837 2.525 315 HD21 LEU 48 1HD2 LEU 48 -6.810 -5.916 -1.343 316 HD22 LEU 48 2HD2 LEU 48 -8.260 -5.104 -0.705 317 HD23 LEU 48 3HD2 LEU 48 -6.922 -4.140 -1.376 318 H VAL 49 H VAL 49 -5.277 -0.702 0.395 319 HA VAL 49 HA VAL 49 -3.420 0.432 2.237 320 HB VAL 49 HB VAL 49 -5.643 1.567 0.535 321 HG11 VAL 49 1HG1 VAL 49 -3.577 3.432 1.482 322 HG12 VAL 49 2HG1 VAL 49 -5.343 3.627 1.384 323 HG13 VAL 49 3HG1 VAL 49 -4.616 2.793 2.779 324 HG21 VAL 49 1HG2 VAL 49 -2.636 1.396 0.218 325 HG22 VAL 49 2HG2 VAL 49 -3.900 0.742 -0.852 326 HG23 VAL 49 3HG2 VAL 49 -3.650 2.501 -0.740 327 H CYS 50 H CYS 50 -3.835 -0.162 4.360 328 HA CYS 50 HA CYS 50 -6.343 -0.464 5.456 329 HB2 CYS 50 1HB CYS 50 -3.961 -1.067 6.368 330 HB3 CYS 50 2HB CYS 50 -4.023 0.521 7.106 331 HG CYS 50 HG CYS 50 -5.295 -2.207 7.951 332 H PHE 51 H PHE 51 -4.058 2.371 5.617 333 HA PHE 51 HA PHE 51 -6.357 4.135 5.617 334 HB2 PHE 51 1HB PHE 51 -6.052 3.911 7.994 335 HB3 PHE 51 2HB PHE 51 -4.322 3.683 7.838 336 HD1 PHE 51 1HD PHE 51 -7.021 6.185 7.829 337 HD2 PHE 51 2HD PHE 51 -2.825 5.551 7.816 338 HE1 PHE 51 1HE PHE 51 -6.653 8.608 8.370 339 HE2 PHE 51 2HE PHE 51 -2.457 7.974 8.357 340 HZ PHE 51 HZ PHE 51 -4.376 9.474 8.628 341 H ILE 52 H ILE 52 -5.550 6.524 5.548 342 HA ILE 52 HA ILE 52 -2.918 6.682 4.294 343 HB ILE 52 HB ILE 52 -5.501 7.658 3.075 344 HG12 ILE 52 1HG1 ILE 52 -3.438 5.676 2.066 345 HG13 ILE 52 2HG1 ILE 52 -5.001 5.260 2.740 346 HG21 ILE 52 1HG2 ILE 52 -2.709 8.089 1.995 347 HG22 ILE 52 2HG2 ILE 52 -4.245 8.743 1.376 348 HG23 ILE 52 3HG2 ILE 52 -3.601 9.307 2.937 349 HD11 ILE 52 1HD1 ILE 52 -5.071 5.293 0.258 350 HD12 ILE 52 2HD1 ILE 52 -6.145 6.537 0.943 351 HD13 ILE 52 3HD1 ILE 52 -4.565 7.000 0.268 352 H GLU 53 H GLU 53 -1.851 8.663 4.631 353 HA GLU 53 HA GLU 53 -2.833 10.077 6.881 354 HB2 GLU 53 1HB GLU 53 -0.335 10.051 5.229 355 HB3 GLU 53 2HB GLU 53 -0.674 11.538 6.093 356 HG2 GLU 53 1HG GLU 53 -1.214 9.480 7.967 357 HG3 GLU 53 2HG GLU 53 0.240 8.956 7.140 358 HA PRO 54 HA PRO 54 -4.833 13.256 4.692 359 HB2 PRO 54 1HB PRO 54 -5.119 15.099 6.689 360 HB3 PRO 54 2HB PRO 54 -6.193 13.729 6.489 361 HG2 PRO 54 1HG PRO 54 -4.052 14.128 8.487 362 HG3 PRO 54 2HG PRO 54 -5.390 12.997 8.523 363 HD2 PRO 54 1HD PRO 54 -2.654 12.399 7.905 364 HD3 PRO 54 2HD PRO 54 -4.011 11.294 7.829 365 H ASP 55 H ASP 55 -4.148 14.584 3.142 366 HA ASP 55 HA ASP 55 -3.001 16.174 2.202 367 HB2 ASP 55 1HB ASP 55 -2.938 16.959 4.969 368 HB3 ASP 55 2HB ASP 55 -1.329 17.225 4.327 369 H SER 56 H SER 56 -1.945 13.379 3.072 370 HA SER 56 HA SER 56 0.863 13.798 3.329 371 HB2 SER 56 1HB SER 56 0.915 11.614 3.982 372 HB3 SER 56 2HB SER 56 -0.826 11.780 4.089 373 HG SER 56 HG SER 56 -0.938 10.246 2.612 374 HA PRO 57 HA PRO 57 1.952 13.186 -0.854 375 HB2 PRO 57 1HB PRO 57 3.887 11.257 -0.921 376 HB3 PRO 57 2HB PRO 57 4.198 12.911 -0.431 377 HG2 PRO 57 1HG PRO 57 3.971 10.490 1.251 378 HG3 PRO 57 2HG PRO 57 4.687 12.040 1.648 379 HD2 PRO 57 1HD PRO 57 2.130 11.061 2.502 380 HD3 PRO 57 2HD PRO 57 2.796 12.654 2.802 381 H ALA 58 H ALA 58 1.420 10.028 0.595 382 HA ALA 58 HA ALA 58 0.897 8.707 -1.802 383 HB1 ALA 58 1HB ALA 58 1.022 7.091 -0.239 384 HB2 ALA 58 2HB ALA 58 0.686 8.244 1.075 385 HB3 ALA 58 3HB ALA 58 -0.660 7.489 0.188 386 H GLU 59 H GLU 59 -1.100 10.789 0.306 387 HA GLU 59 HA GLU 59 -3.496 10.079 -1.044 388 HB2 GLU 59 1HB GLU 59 -3.323 10.862 1.374 389 HB3 GLU 59 2HB GLU 59 -2.984 12.473 0.773 390 HG2 GLU 59 1HG GLU 59 -5.338 12.459 1.162 391 HG3 GLU 59 2HG GLU 59 -5.177 12.297 -0.575 392 H ARG 60 H ARG 60 -1.121 12.786 -1.120 393 HA ARG 60 HA ARG 60 -2.478 14.544 -2.644 394 HB2 ARG 60 1HB ARG 60 0.451 13.812 -2.418 395 HB3 ARG 60 2HB ARG 60 -0.020 14.975 -3.642 396 HG2 ARG 60 1HG ARG 60 -1.402 15.753 -1.272 397 HG3 ARG 60 2HG ARG 60 0.223 15.345 -0.758 398 HD2 ARG 60 1HD ARG 60 1.219 17.021 -2.079 399 HD3 ARG 60 2HD ARG 60 -0.097 17.044 -3.237 400 HE ARG 60 HE ARG 60 -1.003 17.885 -0.610 401 HH11 ARG 60 2HH2 ARG 60 0.711 18.991 -3.476 402 HH12 ARG 60 1HH2 ARG 60 0.323 20.660 -3.220 403 HH21 ARG 60 2HH1 ARG 60 -1.516 20.086 -0.272 404 HH22 ARG 60 1HH1 ARG 60 -0.952 21.287 -1.385 405 H CYS 61 H CYS 61 -0.823 11.519 -3.616 406 HA CYS 61 HA CYS 61 -0.799 11.983 -6.362 407 HB2 CYS 61 1HB CYS 61 -0.640 9.530 -4.632 408 HB3 CYS 61 2HB CYS 61 -0.842 9.344 -6.363 409 HG CYS 61 HG CYS 61 1.247 10.407 -7.165 410 H GLY 62 H GLY 62 -3.305 11.044 -4.039 411 HA2 GLY 62 1HA GLY 62 -5.554 11.000 -4.305 412 HA3 GLY 62 2HA GLY 62 -5.366 11.409 -5.999 413 H LEU 63 H LEU 63 -3.909 9.399 -7.133 414 HA LEU 63 HA LEU 63 -5.674 7.422 -7.624 415 HB2 LEU 63 1HB LEU 63 -2.693 7.595 -7.773 416 HB3 LEU 63 2HB LEU 63 -3.473 6.060 -8.099 417 HG LEU 63 HG LEU 63 -4.448 8.509 -9.531 418 HD11 LEU 63 1HD1 LEU 63 -2.120 6.921 -10.603 419 HD12 LEU 63 2HD1 LEU 63 -2.765 8.487 -11.153 420 HD13 LEU 63 3HD1 LEU 63 -1.884 8.379 -9.609 421 HD21 LEU 63 1HD2 LEU 63 -4.991 5.731 -9.616 422 HD22 LEU 63 2HD2 LEU 63 -5.653 7.022 -10.647 423 HD23 LEU 63 3HD2 LEU 63 -4.179 6.154 -11.143 424 H LEU 64 H LEU 64 -3.308 7.610 -4.930 425 HA LEU 64 HA LEU 64 -3.853 4.972 -4.026 426 HB2 LEU 64 1HB LEU 64 -1.808 6.582 -3.670 427 HB3 LEU 64 2HB LEU 64 -2.732 7.131 -2.286 428 HG LEU 64 HG LEU 64 -2.186 4.196 -2.686 429 HD11 LEU 64 1HD1 LEU 64 -0.106 5.937 -2.651 430 HD12 LEU 64 2HD1 LEU 64 -0.333 5.656 -0.908 431 HD13 LEU 64 3HD1 LEU 64 -0.046 4.280 -2.001 432 HD21 LEU 64 1HD2 LEU 64 -2.968 5.967 -0.384 433 HD22 LEU 64 2HD2 LEU 64 -3.741 4.480 -0.985 434 HD23 LEU 64 3HD2 LEU 64 -2.196 4.388 -0.105 435 H GLN 65 H GLN 65 -5.401 4.223 -2.636 436 HA GLN 65 HA GLN 65 -6.755 6.008 -0.913 437 HB2 GLN 65 1HB GLN 65 -9.044 5.614 -1.881 438 HB3 GLN 65 2HB GLN 65 -8.013 6.601 -2.898 439 HG2 GLN 65 1HG GLN 65 -7.360 4.260 -4.000 440 HG3 GLN 65 2HG GLN 65 -8.873 3.728 -3.295 441 HE21 GLN 65 1HE2 GLN 65 -9.645 3.395 -5.414 442 HE22 GLN 65 2HE2 GLN 65 -10.238 4.698 -6.389 443 H VAL 66 H VAL 66 -8.252 4.832 0.558 444 HA VAL 66 HA VAL 66 -7.242 2.417 1.383 445 HB VAL 66 HB VAL 66 -9.893 3.790 1.788 446 HG11 VAL 66 1HG1 VAL 66 -9.602 1.981 3.887 447 HG12 VAL 66 2HG1 VAL 66 -10.754 1.863 2.535 448 HG13 VAL 66 3HG1 VAL 66 -9.181 1.035 2.440 449 HG21 VAL 66 1HG2 VAL 66 -7.646 3.330 3.766 450 HG22 VAL 66 2HG2 VAL 66 -7.717 4.750 2.697 451 HG23 VAL 66 3HG2 VAL 66 -9.011 4.466 3.886 452 H GLY 67 H GLY 67 -7.635 0.262 0.939 453 HA2 GLY 67 1HA GLY 67 -8.998 -1.478 0.125 454 HA3 GLY 67 2HA GLY 67 -9.796 -0.356 -0.960 455 H ASP 68 H ASP 68 -7.323 0.989 -1.887 456 HA ASP 68 HA ASP 68 -6.819 -0.359 -4.125 457 HB2 ASP 68 1HB ASP 68 -5.150 1.512 -2.442 458 HB3 ASP 68 2HB ASP 68 -4.390 0.761 -3.831 459 H ARG 69 H ARG 69 -5.312 -2.000 -4.816 460 HA ARG 69 HA ARG 69 -4.220 -3.520 -2.616 461 HB2 ARG 69 1HB ARG 69 -4.880 -4.135 -5.517 462 HB3 ARG 69 2HB ARG 69 -3.789 -5.188 -4.639 463 HG2 ARG 69 1HG ARG 69 -5.726 -6.249 -4.012 464 HG3 ARG 69 2HG ARG 69 -5.788 -4.994 -2.791 465 HD2 ARG 69 1HD ARG 69 -7.776 -4.320 -3.656 466 HD3 ARG 69 2HD ARG 69 -6.932 -3.808 -5.103 467 HE ARG 69 HE ARG 69 -7.265 -6.584 -5.387 468 HH11 ARG 69 2HH2 ARG 69 -9.367 -3.788 -5.002 469 HH12 ARG 69 1HH2 ARG 69 -10.683 -4.497 -5.877 470 HH21 ARG 69 2HH1 ARG 69 -9.002 -7.520 -6.541 471 HH22 ARG 69 1HH1 ARG 69 -10.474 -6.634 -6.758 472 H VAL 70 H VAL 70 -1.986 -3.846 -2.341 473 HA VAL 70 HA VAL 70 -0.289 -2.349 -4.202 474 HB VAL 70 HB VAL 70 0.078 -3.206 -1.327 475 HG11 VAL 70 1HG1 VAL 70 2.217 -1.983 -1.389 476 HG12 VAL 70 2HG1 VAL 70 2.217 -3.368 -2.507 477 HG13 VAL 70 3HG1 VAL 70 2.011 -1.716 -3.137 478 HG21 VAL 70 1HG2 VAL 70 -1.097 -1.313 -0.998 479 HG22 VAL 70 2HG2 VAL 70 0.418 -0.487 -1.437 480 HG23 VAL 70 3HG2 VAL 70 -0.843 -0.746 -2.666 481 H LEU 71 H LEU 71 0.333 -3.713 -5.831 482 HA LEU 71 HA LEU 71 0.714 -6.489 -5.362 483 HB2 LEU 71 1HB LEU 71 1.496 -4.776 -7.725 484 HB3 LEU 71 2HB LEU 71 1.450 -6.527 -7.689 485 HG LEU 71 HG LEU 71 -0.867 -4.596 -7.595 486 HD11 LEU 71 1HD1 LEU 71 0.404 -6.151 -9.639 487 HD12 LEU 71 2HD1 LEU 71 -1.262 -6.733 -9.410 488 HD13 LEU 71 3HD1 LEU 71 -0.961 -5.016 -9.769 489 HD21 LEU 71 1HD2 LEU 71 -0.788 -7.479 -6.742 490 HD22 LEU 71 2HD2 LEU 71 -1.580 -6.086 -5.966 491 HD23 LEU 71 3HD2 LEU 71 -2.259 -6.778 -7.459 492 H SER 72 H SER 72 3.001 -3.806 -6.263 493 HA SER 72 HA SER 72 4.980 -5.224 -4.672 494 HB2 SER 72 1HB SER 72 6.689 -4.467 -6.455 495 HB3 SER 72 2HB SER 72 5.658 -5.824 -6.861 496 HG SER 72 HG SER 72 4.198 -4.119 -7.875 497 H ILE 73 H ILE 73 6.918 -3.705 -4.157 498 HA ILE 73 HA ILE 73 6.073 -0.906 -4.143 499 HB ILE 73 HB ILE 73 6.922 -2.528 -1.745 500 HG12 ILE 73 1HG1 ILE 73 4.417 -0.888 -2.214 501 HG13 ILE 73 2HG1 ILE 73 4.515 -2.620 -2.460 502 HG21 ILE 73 1HG2 ILE 73 6.258 0.146 -1.034 503 HG22 ILE 73 2HG2 ILE 73 7.803 -0.714 -0.829 504 HG23 ILE 73 3HG2 ILE 73 7.488 0.208 -2.319 505 HD11 ILE 73 1HD1 ILE 73 4.332 -3.034 -0.237 506 HD12 ILE 73 2HD1 ILE 73 5.624 -1.872 0.149 507 HD13 ILE 73 3HD1 ILE 73 3.947 -1.307 -0.038 508 H ASN 74 H ASN 74 7.605 0.158 -5.272 509 HA ASN 74 HA ASN 74 9.574 0.950 -5.777 510 HB2 ASN 74 1HB ASN 74 10.130 -0.251 -3.247 511 HB3 ASN 74 2HB ASN 74 11.405 -0.814 -4.309 512 HD21 ASN 74 1HD2 ASN 74 11.676 0.946 -2.097 513 HD22 ASN 74 2HD2 ASN 74 12.277 2.469 -2.663 514 H GLY 75 H GLY 75 8.311 -1.955 -6.444 515 HA2 GLY 75 1HA GLY 75 8.833 -3.003 -8.518 516 HA3 GLY 75 2HA GLY 75 10.539 -2.754 -8.205 517 H ILE 76 H ILE 76 9.026 -3.563 -5.267 518 HA ILE 76 HA ILE 76 9.837 -6.361 -5.623 519 HB ILE 76 HB ILE 76 9.736 -4.636 -3.146 520 HG12 ILE 76 1HG1 ILE 76 11.598 -4.372 -4.976 521 HG13 ILE 76 2HG1 ILE 76 12.010 -4.391 -3.273 522 HG21 ILE 76 1HG2 ILE 76 10.163 -7.577 -3.542 523 HG22 ILE 76 2HG2 ILE 76 11.033 -6.724 -2.245 524 HG23 ILE 76 3HG2 ILE 76 9.254 -6.713 -2.280 525 HD11 ILE 76 1HD1 ILE 76 11.981 -6.947 -4.923 526 HD12 ILE 76 2HD1 ILE 76 13.416 -5.898 -4.833 527 HD13 ILE 76 3HD1 ILE 76 12.775 -6.656 -3.356 528 H ALA 77 H ALA 77 8.242 -7.839 -5.729 529 HA ALA 77 HA ALA 77 5.549 -7.044 -5.281 530 HB1 ALA 77 1HB ALA 77 5.161 -9.521 -5.761 531 HB2 ALA 77 2HB ALA 77 6.009 -8.609 -7.032 532 HB3 ALA 77 3HB ALA 77 6.926 -9.671 -5.937 533 H THR 78 H THR 78 4.474 -6.992 -3.376 534 HA THR 78 HA THR 78 5.702 -7.777 -0.976 535 HB THR 78 HB THR 78 3.586 -7.046 -0.008 536 HG1 THR 78 1HG THR 78 2.621 -7.261 -2.768 537 HG21 THR 78 1HG2 THR 78 3.169 -5.370 -2.378 538 HG22 THR 78 2HG2 THR 78 3.736 -4.891 -0.760 539 HG23 THR 78 3HG2 THR 78 4.900 -5.472 -1.975 540 H GLU 79 H GLU 79 3.608 -9.496 -3.274 541 HA GLU 79 HA GLU 79 2.861 -11.516 -1.510 542 HB2 GLU 79 1HB GLU 79 3.172 -11.661 -4.541 543 HB3 GLU 79 2HB GLU 79 2.228 -12.759 -3.554 544 HG2 GLU 79 1HG GLU 79 1.143 -10.387 -2.738 545 HG3 GLU 79 2HG GLU 79 1.631 -9.933 -4.359 546 H ASP 80 H ASP 80 5.902 -10.714 -2.911 547 HA ASP 80 HA ASP 80 6.807 -13.462 -2.700 548 HB2 ASP 80 1HB ASP 80 7.300 -11.702 -4.668 549 HB3 ASP 80 2HB ASP 80 8.572 -11.174 -3.584 550 H GLY 81 H GLY 81 6.112 -11.825 -0.327 551 HA2 GLY 81 1HA GLY 81 8.510 -12.163 1.186 552 HA3 GLY 81 2HA GLY 81 8.172 -10.470 0.888 553 H THR 82 H THR 82 8.045 -10.740 3.421 554 HA THR 82 HA THR 82 5.339 -11.594 4.180 555 HB THR 82 HB THR 82 6.328 -11.672 6.469 556 HG1 THR 82 1HG THR 82 8.587 -11.030 6.605 557 HG21 THR 82 1HG2 THR 82 7.651 -13.107 4.180 558 HG22 THR 82 2HG2 THR 82 8.522 -13.113 5.732 559 HG23 THR 82 3HG2 THR 82 6.874 -13.778 5.634 560 H MET 83 H MET 83 4.093 -10.248 5.665 561 HA MET 83 HA MET 83 3.541 -7.842 4.758 562 HB2 MET 83 1HB MET 83 2.689 -9.314 6.865 563 HB3 MET 83 2HB MET 83 3.637 -8.153 7.774 564 HG2 MET 83 1HG MET 83 1.299 -7.552 5.905 565 HG3 MET 83 2HG MET 83 1.350 -7.317 7.641 566 HE1 MET 83 1HE MET 83 1.304 -4.246 5.086 567 HE2 MET 83 2HE MET 83 2.541 -5.139 4.169 568 HE3 MET 83 3HE MET 83 1.065 -5.971 4.716 569 H GLU 84 H GLU 84 5.817 -8.359 7.555 570 HA GLU 84 HA GLU 84 6.531 -5.793 7.945 571 HB2 GLU 84 1HB GLU 84 7.361 -8.255 8.888 572 HB3 GLU 84 2HB GLU 84 8.807 -7.701 8.067 573 HG2 GLU 84 1HG GLU 84 7.789 -5.444 9.504 574 HG3 GLU 84 2HG GLU 84 7.697 -6.806 10.602 575 H GLU 85 H GLU 85 8.314 -8.150 5.813 576 HA GLU 85 HA GLU 85 10.216 -6.600 4.838 577 HB2 GLU 85 1HB GLU 85 8.523 -8.757 3.622 578 HB3 GLU 85 2HB GLU 85 9.548 -7.851 2.526 579 HG2 GLU 85 1HG GLU 85 11.069 -8.507 4.914 580 HG3 GLU 85 2HG GLU 85 10.313 -9.965 4.303 581 H ALA 86 H ALA 86 6.773 -6.587 3.727 582 HA ALA 86 HA ALA 86 7.085 -4.773 1.650 583 HB1 ALA 86 1HB ALA 86 4.853 -5.084 1.478 584 HB2 ALA 86 2HB ALA 86 5.033 -6.232 2.826 585 HB3 ALA 86 3HB ALA 86 4.565 -4.545 3.149 586 H ASN 87 H ASN 87 6.216 -4.229 5.134 587 HA ASN 87 HA ASN 87 6.008 -1.496 4.922 588 HB2 ASN 87 1HB ASN 87 6.534 -3.457 7.155 589 HB3 ASN 87 2HB ASN 87 6.832 -1.766 7.502 590 HD21 ASN 87 1HD2 ASN 87 4.585 -4.183 7.504 591 HD22 ASN 87 2HD2 ASN 87 3.114 -3.270 7.547 592 H GLN 88 H GLN 88 8.788 -3.693 5.653 593 HA GLN 88 HA GLN 88 10.599 -1.708 6.322 594 HB2 GLN 88 1HB GLN 88 11.022 -4.040 6.864 595 HB3 GLN 88 2HB GLN 88 10.984 -4.503 5.174 596 HG2 GLN 88 1HG GLN 88 13.239 -4.218 5.169 597 HG3 GLN 88 2HG GLN 88 12.929 -2.493 5.210 598 HE21 GLN 88 1HE2 GLN 88 13.749 -1.375 6.805 599 HE22 GLN 88 2HE2 GLN 88 14.289 -1.975 8.338 600 H LEU 89 H LEU 89 9.648 -3.159 3.173 601 HA LEU 89 HA LEU 89 11.687 -2.069 1.633 602 HB2 LEU 89 1HB LEU 89 8.878 -2.967 1.060 603 HB3 LEU 89 2HB LEU 89 9.875 -2.269 -0.200 604 HG LEU 89 HG LEU 89 10.823 -4.622 1.436 605 HD11 LEU 89 1HD1 LEU 89 8.746 -5.383 0.556 606 HD12 LEU 89 2HD1 LEU 89 9.078 -4.659 -1.036 607 HD13 LEU 89 3HD1 LEU 89 10.033 -6.053 -0.476 608 HD21 LEU 89 1HD2 LEU 89 12.411 -3.229 0.023 609 HD22 LEU 89 2HD2 LEU 89 12.386 -4.980 -0.293 610 HD23 LEU 89 3HD2 LEU 89 11.546 -3.865 -1.397 611 H LEU 90 H LEU 90 8.673 -0.679 2.941 612 HA LEU 90 HA LEU 90 8.773 1.647 1.320 613 HB2 LEU 90 1HB LEU 90 7.089 0.492 3.367 614 HB3 LEU 90 2HB LEU 90 7.338 2.201 3.663 615 HG LEU 90 HG LEU 90 6.106 0.883 1.243 616 HD11 LEU 90 1HD1 LEU 90 4.148 1.560 2.062 617 HD12 LEU 90 2HD1 LEU 90 5.011 1.867 3.589 618 HD13 LEU 90 3HD1 LEU 90 4.766 3.190 2.423 619 HD21 LEU 90 1HD2 LEU 90 6.945 2.459 -0.078 620 HD22 LEU 90 2HD2 LEU 90 5.987 3.647 0.838 621 HD23 LEU 90 3HD2 LEU 90 7.674 3.318 1.300 622 H ARG 91 H ARG 91 10.149 0.645 4.458 623 HA ARG 91 HA ARG 91 10.798 3.131 5.398 624 HB2 ARG 91 1HB ARG 91 11.252 0.459 6.153 625 HB3 ARG 91 2HB ARG 91 12.872 1.087 5.926 626 HG2 ARG 91 1HG ARG 91 12.089 3.123 7.362 627 HG3 ARG 91 2HG ARG 91 10.713 2.130 7.799 628 HD2 ARG 91 1HD ARG 91 12.098 0.471 8.855 629 HD3 ARG 91 2HD ARG 91 13.554 1.078 8.094 630 HE ARG 91 HE ARG 91 12.482 3.213 9.623 631 HH11 ARG 91 2HH2 ARG 91 13.835 0.011 10.174 632 HH12 ARG 91 1HH2 ARG 91 14.436 0.397 11.752 633 HH21 ARG 91 2HH1 ARG 91 13.276 3.722 11.705 634 HH22 ARG 91 1HH1 ARG 91 14.116 2.522 12.629 635 H ASP 92 H ASP 92 13.041 0.769 3.750 636 HA ASP 92 HA ASP 92 15.162 2.378 3.463 637 HB2 ASP 92 1HB ASP 92 14.871 -0.071 2.757 638 HB3 ASP 92 2HB ASP 92 14.139 0.511 1.275 639 H ALA 93 H ALA 93 12.317 2.011 1.229 640 HA ALA 93 HA ALA 93 13.126 3.690 -0.788 641 HB1 ALA 93 1HB ALA 93 11.011 2.145 -0.422 642 HB2 ALA 93 2HB ALA 93 10.262 3.658 0.144 643 HB3 ALA 93 3HB ALA 93 10.918 3.553 -1.507 644 H ALA 94 H ALA 94 11.342 4.483 2.268 645 HA ALA 94 HA ALA 94 10.984 7.172 1.791 646 HB1 ALA 94 1HB ALA 94 11.596 6.690 4.571 647 HB2 ALA 94 2HB ALA 94 10.012 6.959 3.804 648 HB3 ALA 94 3HB ALA 94 10.676 5.311 3.921 649 H LEU 95 H LEU 95 13.815 5.407 3.178 650 HA LEU 95 HA LEU 95 15.286 7.697 3.812 651 HB2 LEU 95 1HB LEU 95 16.349 4.975 3.057 652 HB3 LEU 95 2HB LEU 95 17.160 6.204 4.006 653 HG LEU 95 HG LEU 95 14.646 4.729 4.841 654 HD11 LEU 95 1HD1 LEU 95 17.556 4.315 5.540 655 HD12 LEU 95 2HD1 LEU 95 16.223 3.714 6.556 656 HD13 LEU 95 3HD1 LEU 95 16.391 3.143 4.878 657 HD21 LEU 95 1HD2 LEU 95 16.100 6.007 6.982 658 HD22 LEU 95 2HD2 LEU 95 15.649 7.195 5.736 659 HD23 LEU 95 3HD2 LEU 95 14.397 6.184 6.497 660 H ALA 96 H ALA 96 14.430 6.241 0.770 661 HA ALA 96 HA ALA 96 16.674 7.473 -0.603 662 HB1 ALA 96 1HB ALA 96 16.325 5.549 -1.749 663 HB2 ALA 96 2HB ALA 96 14.665 5.372 -1.129 664 HB3 ALA 96 3HB ALA 96 14.986 6.432 -2.522 665 H HIS 97 H HIS 97 13.609 8.349 0.596 666 HA HIS 97 HA HIS 97 12.358 10.132 0.329 667 HB2 HIS 97 1HB HIS 97 14.680 11.112 -1.347 668 HB3 HIS 97 2HB HIS 97 13.282 12.098 -0.967 669 HD1 HIS 97 1HD HIS 97 13.368 13.387 1.190 670 HD2 HIS 97 2HD HIS 97 16.130 10.231 1.102 671 HE1 HIS 97 1HE HIS 97 14.778 13.611 3.305 672 H LYS 98 H LYS 98 12.586 7.749 -1.696 673 HA LYS 98 HA LYS 98 10.513 8.773 -3.411 674 HB2 LYS 98 1HB LYS 98 12.583 9.412 -4.617 675 HB3 LYS 98 2HB LYS 98 13.091 7.735 -4.627 676 HG2 LYS 98 1HG LYS 98 10.570 7.451 -5.655 677 HG3 LYS 98 2HG LYS 98 10.928 9.076 -6.207 678 HD2 LYS 98 1HD LYS 98 13.090 8.234 -7.198 679 HD3 LYS 98 2HD LYS 98 12.663 6.609 -6.699 680 HE2 LYS 98 1HE LYS 98 11.264 6.328 -8.474 681 HE3 LYS 98 2HE LYS 98 10.450 7.850 -8.168 682 HZ1 LYS 98 1HZ LYS 98 12.875 7.394 -9.734 683 HZ2 LYS 98 2HZ LYS 98 11.489 8.125 -10.194 684 HZ3 LYS 98 3HZ LYS 98 12.511 8.883 -9.170 685 H VAL 99 H VAL 99 9.126 7.127 -4.127 686 HA VAL 99 HA VAL 99 9.947 4.386 -3.730 687 HB VAL 99 HB VAL 99 9.136 5.282 -1.507 688 HG11 VAL 99 1HG1 VAL 99 7.100 6.186 -1.232 689 HG12 VAL 99 2HG1 VAL 99 7.076 6.359 -3.004 690 HG13 VAL 99 3HG1 VAL 99 6.315 4.944 -2.238 691 HG21 VAL 99 1HG2 VAL 99 7.196 3.176 -1.961 692 HG22 VAL 99 2HG2 VAL 99 8.732 2.811 -2.784 693 HG23 VAL 99 3HG2 VAL 99 8.716 3.141 -1.035 694 H VAL 100 H VAL 100 8.616 2.905 -4.906 695 HA VAL 100 HA VAL 100 6.693 4.257 -6.672 696 HB VAL 100 HB VAL 100 8.688 2.062 -7.249 697 HG11 VAL 100 1HG1 VAL 100 7.338 2.890 -9.618 698 HG12 VAL 100 2HG1 VAL 100 7.355 1.282 -8.855 699 HG13 VAL 100 3HG1 VAL 100 6.100 2.464 -8.411 700 HG21 VAL 100 1HG2 VAL 100 8.549 4.963 -7.773 701 HG22 VAL 100 2HG2 VAL 100 9.953 3.871 -7.707 702 HG23 VAL 100 3HG2 VAL 100 8.973 3.973 -9.190 703 H LEU 101 H LEU 101 4.638 3.488 -6.595 704 HA LEU 101 HA LEU 101 4.284 0.887 -5.274 705 HB2 LEU 101 1HB LEU 101 2.162 2.994 -5.327 706 HB3 LEU 101 2HB LEU 101 2.384 1.660 -4.213 707 HG LEU 101 HG LEU 101 2.845 3.672 -3.032 708 HD11 LEU 101 1HD1 LEU 101 4.905 3.179 -2.083 709 HD12 LEU 101 2HD1 LEU 101 4.432 1.634 -2.830 710 HD13 LEU 101 3HD1 LEU 101 5.622 2.684 -3.635 711 HD21 LEU 101 1HD2 LEU 101 4.055 5.478 -3.756 712 HD22 LEU 101 2HD2 LEU 101 5.083 4.505 -4.835 713 HD23 LEU 101 3HD2 LEU 101 3.408 4.882 -5.304 714 H GLU 102 H GLU 102 2.789 -0.588 -6.180 715 HA GLU 102 HA GLU 102 1.870 0.205 -8.833 716 HB2 GLU 102 1HB GLU 102 3.745 -1.334 -9.095 717 HB3 GLU 102 2HB GLU 102 3.052 -2.460 -7.946 718 HG2 GLU 102 1HG GLU 102 1.848 -3.454 -9.587 719 HG3 GLU 102 2HG GLU 102 1.062 -1.935 -9.971 720 H VAL 103 H VAL 103 -0.329 0.339 -8.813 721 HA VAL 103 HA VAL 103 -1.759 -1.436 -6.974 722 HB VAL 103 HB VAL 103 -3.077 0.818 -8.407 723 HG11 VAL 103 1HG1 VAL 103 -3.237 -0.273 -5.577 724 HG12 VAL 103 2HG1 VAL 103 -4.235 1.047 -6.232 725 HG13 VAL 103 3HG1 VAL 103 -4.377 -0.594 -6.905 726 HG21 VAL 103 1HG2 VAL 103 -0.904 1.138 -6.347 727 HG22 VAL 103 2HG2 VAL 103 -1.210 2.076 -7.828 728 HG23 VAL 103 3HG2 VAL 103 -2.262 2.287 -6.408 729 H GLU 104 H GLU 104 -3.485 -2.751 -7.719 730 HA GLU 104 HA GLU 104 -3.401 -3.126 -10.607 731 HB2 GLU 104 1HB GLU 104 -2.760 -4.995 -8.820 732 HB3 GLU 104 2HB GLU 104 -4.496 -5.205 -8.711 733 HG2 GLU 104 1HG GLU 104 -4.395 -5.269 -11.359 734 HG3 GLU 104 2HG GLU 104 -2.693 -5.611 -11.114 735 H PHE 105 H PHE 105 -5.363 -3.270 -11.799 736 HA PHE 105 HA PHE 105 -7.880 -3.458 -10.649 737 HB2 PHE 105 1HB PHE 105 -8.551 -1.019 -10.947 738 HB3 PHE 105 2HB PHE 105 -7.352 -1.229 -9.687 739 HD1 PHE 105 1HD PHE 105 -7.528 -0.544 -13.354 740 HD2 PHE 105 2HD PHE 105 -5.518 0.171 -9.686 741 HE1 PHE 105 1HE PHE 105 -6.037 1.122 -14.496 742 HE2 PHE 105 2HE PHE 105 -4.028 1.837 -10.827 743 HZ PHE 105 HZ PHE 105 -4.305 2.293 -13.218 744 H ASP 106 H ASP 106 -9.650 -2.857 -12.279 745 HA ASP 106 HA ASP 106 -8.565 -3.416 -14.904 746 HB2 ASP 106 1HB ASP 106 -11.120 -3.756 -15.385 747 HB3 ASP 106 2HB ASP 106 -10.272 -4.963 -14.440 748 H SER 107 H SER 107 -8.073 -1.428 -15.909 749 HA SER 107 HA SER 107 -9.320 0.949 -15.330 750 HB2 SER 107 1HB SER 107 -7.234 1.103 -16.421 751 HB3 SER 107 2HB SER 107 -7.673 -0.064 -17.653 752 HG SER 107 HG SER 107 -8.083 1.665 -18.851 753 H GLY 108 H GLY 108 -11.550 1.154 -15.470 754 HA2 GLY 108 1HA GLY 108 -12.754 1.211 -18.059 755 HA3 GLY 108 2HA GLY 108 -13.260 -0.196 -17.145 756 HA PRO 109 HA PRO 109 -16.072 2.953 -15.703 757 HB2 PRO 109 1HB PRO 109 -18.238 1.316 -15.389 758 HB3 PRO 109 2HB PRO 109 -17.894 2.175 -16.877 759 HG2 PRO 109 1HG PRO 109 -17.536 -0.696 -16.270 760 HG3 PRO 109 2HG PRO 109 -17.608 0.095 -17.832 761 HD2 PRO 109 1HD PRO 109 -15.254 -0.856 -16.497 762 HD3 PRO 109 2HD PRO 109 -15.316 0.037 -18.003 763 H SER 110 H SER 110 -16.490 3.721 -13.685 764 HA SER 110 HA SER 110 -15.605 1.874 -11.644 765 HB2 SER 110 1HB SER 110 -15.240 3.792 -10.261 766 HB3 SER 110 2HB SER 110 -14.677 4.243 -11.858 767 HG SER 110 HG SER 110 -16.484 5.525 -10.367 768 H SER 111 H SER 111 -16.934 1.213 -9.899 769 HA SER 111 HA SER 111 -19.661 2.223 -9.981 770 HB2 SER 111 1HB SER 111 -19.805 0.097 -11.103 771 HB3 SER 111 2HB SER 111 -18.757 -0.679 -9.932 772 HG SER 111 HG SER 111 -20.822 -1.287 -9.342 773 H GLY 112 H GLY 112 -20.832 1.919 -7.875 774 HA2 GLY 112 1HA GLY 112 -19.590 0.929 -5.564 775 HA3 GLY 112 2HA GLY 112 -19.243 2.643 -5.677 Start of MODEL 6 1 H1 GLY 1 H GLY 1 34.063 -13.722 -19.837 2 HA2 GLY 1 1HA GLY 1 33.152 -14.431 -22.555 3 HA3 GLY 1 2HA GLY 1 33.935 -15.510 -21.417 4 H SER 2 H SER 2 30.965 -13.490 -21.870 5 HA SER 2 HA SER 2 29.332 -15.623 -21.092 6 HB2 SER 2 1HB SER 2 30.003 -13.538 -19.026 7 HB3 SER 2 2HB SER 2 28.350 -14.115 -19.093 8 HG SER 2 HG SER 2 29.938 -16.296 -19.241 9 H SER 3 H SER 3 27.297 -15.277 -21.998 10 HA SER 3 HA SER 3 26.959 -12.720 -23.272 11 HB2 SER 3 1HB SER 3 25.796 -15.470 -23.583 12 HB3 SER 3 2HB SER 3 24.786 -14.125 -24.075 13 HG SER 3 HG SER 3 26.118 -13.654 -25.732 14 H GLY 4 H GLY 4 24.707 -11.681 -23.220 15 HA2 GLY 4 1HA GLY 4 23.112 -12.296 -20.863 16 HA3 GLY 4 2HA GLY 4 23.939 -10.751 -20.852 17 H SER 5 H SER 5 21.161 -12.477 -21.922 18 HA SER 5 HA SER 5 19.950 -10.175 -22.861 19 HB2 SER 5 1HB SER 5 21.620 -11.002 -24.810 20 HB3 SER 5 2HB SER 5 20.274 -12.060 -25.183 21 HG SER 5 HG SER 5 20.190 -9.991 -26.322 22 H SER 6 H SER 6 17.945 -10.627 -22.028 23 HA SER 6 HA SER 6 16.816 -13.208 -22.740 24 HB2 SER 6 1HB SER 6 15.923 -13.530 -20.495 25 HB3 SER 6 2HB SER 6 17.659 -13.317 -20.387 26 HG SER 6 HG SER 6 15.616 -11.346 -19.826 27 H GLY 7 H GLY 7 14.354 -13.197 -22.522 28 HA2 GLY 7 1HA GLY 7 13.104 -10.579 -22.374 29 HA3 GLY 7 2HA GLY 7 13.101 -11.325 -23.960 30 H GLY 8 H GLY 8 11.140 -12.248 -24.365 31 HA2 GLY 8 1HA GLY 8 9.926 -14.332 -23.786 32 HA3 GLY 8 2HA GLY 8 9.855 -13.723 -22.144 33 H GLY 9 H GLY 9 7.448 -14.002 -22.512 34 HA2 GLY 9 1HA GLY 9 6.312 -11.450 -23.264 35 HA3 GLY 9 2HA GLY 9 5.860 -12.780 -24.310 36 H GLN 10 H GLN 10 6.062 -11.866 -20.805 37 HA GLN 10 HA GLN 10 4.519 -13.909 -19.845 38 HB2 GLN 10 1HB GLN 10 5.134 -11.107 -18.915 39 HB3 GLN 10 2HB GLN 10 3.917 -12.022 -18.048 40 HG2 GLN 10 1HG GLN 10 6.596 -13.303 -18.666 41 HG3 GLN 10 2HG GLN 10 6.460 -12.188 -17.321 42 HE21 GLN 10 1HE2 GLN 10 4.762 -12.591 -15.728 43 HE22 GLN 10 2HE2 GLN 10 4.345 -14.221 -15.315 44 H ILE 11 H ILE 11 2.231 -13.666 -18.856 45 HA ILE 11 HA ILE 11 0.538 -12.500 -20.930 46 HB ILE 11 HB ILE 11 0.073 -14.614 -18.831 47 HG12 ILE 11 1HG1 ILE 11 -0.440 -15.154 -21.687 48 HG13 ILE 11 2HG1 ILE 11 1.237 -14.822 -21.304 49 HG21 ILE 11 1HG2 ILE 11 -1.848 -12.852 -20.040 50 HG22 ILE 11 2HG2 ILE 11 -2.114 -14.516 -20.613 51 HG23 ILE 11 3HG2 ILE 11 -2.097 -14.168 -18.867 52 HD11 ILE 11 1HD1 ILE 11 -0.166 -17.252 -20.888 53 HD12 ILE 11 2HD1 ILE 11 1.483 -16.859 -20.347 54 HD13 ILE 11 3HD1 ILE 11 0.099 -16.566 -19.267 55 H VAL 12 H VAL 12 -0.904 -10.851 -20.528 56 HA VAL 12 HA VAL 12 -1.163 -9.995 -17.742 57 HB VAL 12 HB VAL 12 0.626 -8.687 -18.773 58 HG11 VAL 12 1HG1 VAL 12 0.175 -7.168 -20.645 59 HG12 VAL 12 2HG1 VAL 12 -0.079 -8.864 -21.121 60 HG13 VAL 12 3HG1 VAL 12 -1.477 -7.815 -20.784 61 HG21 VAL 12 1HG2 VAL 12 -1.732 -7.676 -17.524 62 HG22 VAL 12 2HG2 VAL 12 -0.076 -7.026 -17.464 63 HG23 VAL 12 3HG2 VAL 12 -1.200 -6.485 -18.735 64 H HIS 13 H HIS 13 -3.233 -9.398 -17.189 65 HA HIS 13 HA HIS 13 -5.109 -9.142 -19.423 66 HB2 HIS 13 1HB HIS 13 -5.096 -11.362 -18.033 67 HB3 HIS 13 2HB HIS 13 -5.907 -10.403 -16.812 68 HD1 HIS 13 1HD HIS 13 -8.278 -9.338 -17.512 69 HD2 HIS 13 2HD HIS 13 -6.693 -12.188 -20.151 70 HE1 HIS 13 1HE HIS 13 -10.204 -10.065 -19.020 71 H THR 14 H THR 14 -4.648 -8.594 -15.859 72 HA THR 14 HA THR 14 -6.540 -6.448 -15.852 73 HB THR 14 HB THR 14 -4.470 -6.975 -13.696 74 HG1 THR 14 1HG THR 14 -5.406 -8.990 -13.407 75 HG21 THR 14 1HG2 THR 14 -6.931 -5.550 -13.851 76 HG22 THR 14 2HG2 THR 14 -7.308 -7.055 -12.978 77 HG23 THR 14 3HG2 THR 14 -6.037 -5.968 -12.369 78 H GLU 15 H GLU 15 -5.433 -4.428 -14.381 79 HA GLU 15 HA GLU 15 -3.400 -3.458 -16.236 80 HB2 GLU 15 1HB GLU 15 -5.758 -2.079 -14.932 81 HB3 GLU 15 2HB GLU 15 -4.366 -1.137 -15.428 82 HG2 GLU 15 1HG GLU 15 -5.203 -3.033 -17.523 83 HG3 GLU 15 2HG GLU 15 -6.505 -1.951 -17.070 84 H THR 16 H THR 16 -2.305 -1.330 -15.046 85 HA THR 16 HA THR 16 -1.907 -1.725 -12.231 86 HB THR 16 HB THR 16 0.650 -2.088 -12.695 87 HG1 THR 16 1HG THR 16 1.044 -2.790 -14.823 88 HG21 THR 16 1HG2 THR 16 -1.204 -3.909 -12.011 89 HG22 THR 16 2HG2 THR 16 -0.939 -4.466 -13.681 90 HG23 THR 16 3HG2 THR 16 0.419 -4.423 -12.531 91 H THR 17 H THR 17 -1.122 0.098 -11.222 92 HA THR 17 HA THR 17 -0.341 2.286 -13.030 93 HB THR 17 HB THR 17 -2.793 2.255 -12.032 94 HG1 THR 17 1HG THR 17 -2.447 4.375 -12.571 95 HG21 THR 17 1HG2 THR 17 -1.150 3.350 -9.689 96 HG22 THR 17 2HG2 THR 17 -2.924 3.381 -9.832 97 HG23 THR 17 3HG2 THR 17 -2.073 1.829 -9.646 98 H GLU 18 H GLU 18 1.440 3.434 -12.477 99 HA GLU 18 HA GLU 18 2.839 2.427 -10.170 100 HB2 GLU 18 1HB GLU 18 3.914 2.692 -12.467 101 HB3 GLU 18 2HB GLU 18 3.805 4.428 -12.255 102 HG2 GLU 18 1HG GLU 18 5.225 4.334 -10.251 103 HG3 GLU 18 2HG GLU 18 5.216 2.582 -10.275 104 H VAL 19 H VAL 19 2.671 3.435 -8.219 105 HA VAL 19 HA VAL 19 1.864 6.252 -8.245 106 HB VAL 19 HB VAL 19 1.658 4.079 -6.155 107 HG11 VAL 19 1HG1 VAL 19 1.870 6.875 -5.741 108 HG12 VAL 19 2HG1 VAL 19 0.160 6.446 -5.496 109 HG13 VAL 19 3HG1 VAL 19 1.428 5.619 -4.560 110 HG21 VAL 19 1HG2 VAL 19 -0.638 5.622 -7.347 111 HG22 VAL 19 2HG2 VAL 19 0.054 4.225 -8.205 112 HG23 VAL 19 3HG2 VAL 19 -0.630 4.018 -6.575 113 H VAL 20 H VAL 20 3.627 7.566 -8.246 114 HA VAL 20 HA VAL 20 5.939 6.705 -6.678 115 HB VAL 20 HB VAL 20 5.519 8.717 -8.884 116 HG11 VAL 20 1HG1 VAL 20 7.460 8.823 -6.745 117 HG12 VAL 20 2HG1 VAL 20 8.276 8.557 -8.304 118 HG13 VAL 20 3HG1 VAL 20 7.197 9.957 -8.092 119 HG21 VAL 20 1HG2 VAL 20 6.850 6.048 -8.613 120 HG22 VAL 20 2HG2 VAL 20 5.862 6.705 -9.939 121 HG23 VAL 20 3HG2 VAL 20 7.550 7.236 -9.738 122 H LEU 21 H LEU 21 5.980 7.382 -4.600 123 HA LEU 21 HA LEU 21 4.767 9.999 -4.047 124 HB2 LEU 21 1HB LEU 21 5.220 7.762 -2.078 125 HB3 LEU 21 2HB LEU 21 4.291 9.229 -1.845 126 HG LEU 21 HG LEU 21 3.551 7.072 -3.839 127 HD11 LEU 21 1HD1 LEU 21 2.006 7.424 -1.318 128 HD12 LEU 21 2HD1 LEU 21 2.298 5.968 -2.298 129 HD13 LEU 21 3HD1 LEU 21 3.571 6.582 -1.217 130 HD21 LEU 21 1HD2 LEU 21 1.248 8.335 -3.315 131 HD22 LEU 21 2HD2 LEU 21 2.377 9.686 -3.050 132 HD23 LEU 21 3HD2 LEU 21 2.358 8.835 -4.613 133 H CYS 22 H CYS 22 5.891 11.436 -2.590 134 HA CYS 22 HA CYS 22 8.711 10.731 -2.253 135 HB2 CYS 22 1HB CYS 22 8.005 13.580 -2.835 136 HB3 CYS 22 2HB CYS 22 9.492 12.706 -3.145 137 HG CYS 22 HG CYS 22 8.345 11.050 -4.946 138 H GLY 23 H GLY 23 9.026 10.622 -0.055 139 HA2 GLY 23 1HA GLY 23 7.931 12.784 1.600 140 HA3 GLY 23 2HA GLY 23 7.518 11.131 2.006 141 H ASP 24 H ASP 24 8.878 12.592 3.900 142 HA ASP 24 HA ASP 24 11.676 12.210 3.580 143 HB2 ASP 24 1HB ASP 24 9.840 13.516 5.469 144 HB3 ASP 24 2HB ASP 24 11.112 12.659 6.316 145 HA PRO 25 HA PRO 25 11.879 8.339 5.632 146 HB2 PRO 25 1HB PRO 25 14.218 8.457 7.040 147 HB3 PRO 25 2HB PRO 25 14.152 8.151 5.315 148 HG2 PRO 25 1HG PRO 25 14.935 10.626 6.730 149 HG3 PRO 25 2HG PRO 25 15.260 10.159 5.072 150 HD2 PRO 25 1HD PRO 25 13.290 12.041 5.971 151 HD3 PRO 25 2HD PRO 25 13.537 11.487 4.327 152 H LEU 26 H LEU 26 11.601 11.147 7.463 153 HA LEU 26 HA LEU 26 11.306 9.680 9.941 154 HB2 LEU 26 1HB LEU 26 11.683 12.465 9.109 155 HB3 LEU 26 2HB LEU 26 10.530 12.273 10.414 156 HG LEU 26 HG LEU 26 12.981 10.723 10.838 157 HD11 LEU 26 1HD1 LEU 26 14.600 12.305 10.822 158 HD12 LEU 26 2HD1 LEU 26 13.572 12.997 9.544 159 HD13 LEU 26 3HD1 LEU 26 13.473 13.629 11.205 160 HD21 LEU 26 1HD2 LEU 26 12.480 11.089 12.985 161 HD22 LEU 26 2HD2 LEU 26 12.279 12.841 12.741 162 HD23 LEU 26 3HD2 LEU 26 10.937 11.731 12.372 163 H SER 27 H SER 27 9.280 11.773 7.772 164 HA SER 27 HA SER 27 6.942 11.023 9.192 165 HB2 SER 27 1HB SER 27 5.765 12.362 7.468 166 HB3 SER 27 2HB SER 27 7.123 13.238 8.146 167 HG SER 27 HG SER 27 7.958 11.769 5.974 168 H GLY 28 H GLY 28 8.806 9.819 6.463 169 HA2 GLY 28 1HA GLY 28 8.595 7.776 5.459 170 HA3 GLY 28 2HA GLY 28 7.032 7.544 6.217 171 H PHE 29 H PHE 29 5.443 7.329 4.709 172 HA PHE 29 HA PHE 29 5.476 9.247 2.493 173 HB2 PHE 29 1HB PHE 29 4.969 6.217 2.562 174 HB3 PHE 29 2HB PHE 29 4.467 7.199 1.200 175 HD1 PHE 29 2HD PHE 29 6.601 8.935 0.574 176 HD2 PHE 29 1HD PHE 29 6.832 4.970 2.067 177 HE1 PHE 29 2HE PHE 29 8.879 8.683 -0.448 178 HE2 PHE 29 1HE PHE 29 9.110 4.718 1.045 179 HZ PHE 29 HZ PHE 29 10.107 6.577 -0.200 180 H GLY 30 H GLY 30 4.000 8.608 5.267 181 HA2 GLY 30 1HA GLY 30 1.907 8.747 6.085 182 HA3 GLY 30 2HA GLY 30 1.632 9.874 4.772 183 H LEU 31 H LEU 31 2.225 6.285 4.841 184 HA LEU 31 HA LEU 31 -0.470 5.854 3.874 185 HB2 LEU 31 1HB LEU 31 -0.013 5.190 1.792 186 HB3 LEU 31 2HB LEU 31 1.344 6.284 1.971 187 HG LEU 31 HG LEU 31 2.471 3.998 2.901 188 HD11 LEU 31 1HD1 LEU 31 1.644 2.071 2.067 189 HD12 LEU 31 2HD1 LEU 31 0.113 2.979 2.089 190 HD13 LEU 31 3HD1 LEU 31 1.043 2.839 0.578 191 HD21 LEU 31 1HD2 LEU 31 3.568 3.814 0.737 192 HD22 LEU 31 2HD2 LEU 31 2.299 4.812 -0.013 193 HD23 LEU 31 3HD2 LEU 31 3.385 5.522 1.205 194 H GLN 32 H GLN 32 -1.256 3.788 4.391 195 HA GLN 32 HA GLN 32 0.657 2.180 5.898 196 HB2 GLN 32 1HB GLN 32 -2.157 3.028 6.516 197 HB3 GLN 32 2HB GLN 32 -1.685 1.415 7.012 198 HG2 GLN 32 1HG GLN 32 0.121 3.770 7.640 199 HG3 GLN 32 2HG GLN 32 -1.282 3.459 8.644 200 HE21 GLN 32 1HE2 GLN 32 1.373 3.356 9.522 201 HE22 GLN 32 2HE2 GLN 32 1.763 1.740 10.010 202 H LEU 33 H LEU 33 0.507 -0.132 5.679 203 HA LEU 33 HA LEU 33 -0.990 -0.921 3.285 204 HB2 LEU 33 1HB LEU 33 1.571 -1.885 4.528 205 HB3 LEU 33 2HB LEU 33 0.667 -2.894 3.417 206 HG LEU 33 HG LEU 33 1.818 -0.158 2.808 207 HD11 LEU 33 1HD1 LEU 33 3.597 -1.727 2.939 208 HD12 LEU 33 2HD1 LEU 33 2.677 -2.952 2.031 209 HD13 LEU 33 3HD1 LEU 33 3.251 -1.480 1.211 210 HD21 LEU 33 1HD2 LEU 33 0.106 -2.019 1.163 211 HD22 LEU 33 2HD2 LEU 33 -0.125 -0.287 1.502 212 HD23 LEU 33 3HD2 LEU 33 1.185 -0.815 0.419 213 H GLN 34 H GLN 34 -2.386 -2.702 3.333 214 HA GLN 34 HA GLN 34 -2.917 -3.657 6.038 215 HB2 GLN 34 1HB GLN 34 -4.815 -2.395 5.280 216 HB3 GLN 34 2HB GLN 34 -4.776 -3.134 3.692 217 HG2 GLN 34 1HG GLN 34 -4.991 -5.301 5.527 218 HG3 GLN 34 2HG GLN 34 -6.092 -4.076 6.124 219 HE21 GLN 34 1HE2 GLN 34 -6.468 -6.713 4.776 220 HE22 GLN 34 2HE2 GLN 34 -7.533 -6.425 3.440 221 H GLY 35 H GLY 35 -2.629 -5.821 6.418 222 HA2 GLY 35 1HA GLY 35 -3.109 -7.782 4.380 223 HA3 GLY 35 2HA GLY 35 -1.401 -7.535 4.684 224 H GLY 36 H GLY 36 -1.076 -9.610 5.633 225 HA2 GLY 36 1HA GLY 36 -2.605 -10.879 7.511 226 HA3 GLY 36 2HA GLY 36 -0.861 -11.000 7.392 227 H ILE 37 H ILE 37 -2.421 -11.092 9.857 228 HA ILE 37 HA ILE 37 -2.155 -8.525 11.105 229 HB ILE 37 HB ILE 37 -2.925 -11.267 12.094 230 HG12 ILE 37 1HG1 ILE 37 -5.047 -9.552 12.468 231 HG13 ILE 37 2HG1 ILE 37 -4.359 -8.952 10.972 232 HG21 ILE 37 1HG2 ILE 37 -3.743 -9.416 14.001 233 HG22 ILE 37 2HG2 ILE 37 -2.420 -10.597 14.154 234 HG23 ILE 37 3HG2 ILE 37 -2.073 -8.937 13.613 235 HD11 ILE 37 1HD1 ILE 37 -4.703 -11.935 11.307 236 HD12 ILE 37 2HD1 ILE 37 -6.125 -10.932 10.930 237 HD13 ILE 37 3HD1 ILE 37 -4.733 -10.958 9.820 238 H PHE 38 H PHE 38 -0.489 -11.736 11.274 239 HA PHE 38 HA PHE 38 1.444 -10.760 13.119 240 HB2 PHE 38 1HB PHE 38 0.821 -13.211 11.461 241 HB3 PHE 38 2HB PHE 38 2.493 -13.043 11.960 242 HD1 PHE 38 1HD PHE 38 -0.825 -12.510 13.609 243 HD2 PHE 38 2HD PHE 38 3.009 -14.318 13.796 244 HE1 PHE 38 1HE PHE 38 -1.395 -13.486 15.850 245 HE2 PHE 38 2HE PHE 38 2.439 -15.294 16.038 246 HZ PHE 38 HZ PHE 38 0.244 -14.866 17.037 247 H ALA 39 H ALA 39 3.852 -10.851 12.631 248 HA ALA 39 HA ALA 39 4.300 -9.425 10.138 249 HB1 ALA 39 1HB ALA 39 6.692 -9.439 11.463 250 HB2 ALA 39 2HB ALA 39 5.418 -8.221 11.713 251 HB3 ALA 39 3HB ALA 39 5.554 -9.606 12.822 252 H THR 40 H THR 40 5.532 -12.295 11.980 253 HA THR 40 HA THR 40 7.180 -13.125 9.789 254 HB THR 40 HB THR 40 7.532 -15.102 11.325 255 HG1 THR 40 1HG THR 40 5.618 -15.340 12.464 256 HG21 THR 40 1HG2 THR 40 8.803 -13.921 12.870 257 HG22 THR 40 2HG2 THR 40 8.447 -12.559 11.781 258 HG23 THR 40 3HG2 THR 40 7.473 -12.802 13.251 259 H GLU 41 H GLU 41 5.901 -13.323 7.941 260 HA GLU 41 HA GLU 41 4.873 -15.790 7.479 261 HB2 GLU 41 1HB GLU 41 2.370 -15.216 7.317 262 HB3 GLU 41 2HB GLU 41 3.011 -15.486 8.925 263 HG2 GLU 41 1HG GLU 41 2.532 -13.359 9.574 264 HG3 GLU 41 2HG GLU 41 3.322 -12.677 8.166 265 H THR 42 H THR 42 4.587 -16.041 5.248 266 HA THR 42 HA THR 42 5.313 -13.816 3.631 267 HB THR 42 HB THR 42 4.336 -16.653 3.008 268 HG1 THR 42 1HG THR 42 6.368 -16.356 4.232 269 HG21 THR 42 1HG2 THR 42 5.914 -14.696 1.259 270 HG22 THR 42 2HG2 THR 42 5.393 -16.339 0.815 271 HG23 THR 42 3HG2 THR 42 4.184 -15.049 1.029 272 H LEU 43 H LEU 43 4.083 -12.984 1.778 273 HA LEU 43 HA LEU 43 1.282 -12.686 2.569 274 HB2 LEU 43 1HB LEU 43 3.208 -10.974 1.024 275 HB3 LEU 43 2HB LEU 43 1.477 -10.735 0.888 276 HG LEU 43 HG LEU 43 3.133 -10.519 3.417 277 HD11 LEU 43 1HD1 LEU 43 3.555 -8.567 2.252 278 HD12 LEU 43 2HD1 LEU 43 1.929 -8.515 1.531 279 HD13 LEU 43 3HD1 LEU 43 2.152 -8.115 3.250 280 HD21 LEU 43 1HD2 LEU 43 0.935 -9.617 4.369 281 HD22 LEU 43 2HD2 LEU 43 0.148 -10.419 2.989 282 HD23 LEU 43 3HD2 LEU 43 1.083 -11.379 4.161 283 H SER 44 H SER 44 -0.090 -14.058 1.572 284 HA SER 44 HA SER 44 0.678 -15.295 -0.854 285 HB2 SER 44 1HB SER 44 -1.392 -16.531 -0.652 286 HB3 SER 44 2HB SER 44 -0.697 -16.393 0.951 287 HG SER 44 HG SER 44 -2.754 -14.644 -0.102 288 H SER 45 H SER 45 -1.123 -12.429 0.103 289 HA SER 45 HA SER 45 -1.725 -11.998 -2.707 290 HB2 SER 45 1HB SER 45 -3.800 -10.667 -1.517 291 HB3 SER 45 2HB SER 45 -3.924 -12.286 -2.175 292 HG SER 45 HG SER 45 -3.100 -11.827 0.552 293 HA PRO 46 HA PRO 46 -0.158 -8.016 -1.916 294 HB2 PRO 46 1HB PRO 46 -1.598 -6.384 -3.570 295 HB3 PRO 46 2HB PRO 46 -0.280 -7.394 -4.130 296 HG2 PRO 46 1HG PRO 46 -3.190 -7.786 -4.472 297 HG3 PRO 46 2HG PRO 46 -1.871 -8.522 -5.361 298 HD2 PRO 46 1HD PRO 46 -3.454 -9.751 -3.308 299 HD3 PRO 46 2HD PRO 46 -2.063 -10.445 -4.115 300 HA PRO 47 HA PRO 47 -2.431 -6.149 1.157 301 HB2 PRO 47 1HB PRO 47 -0.712 -4.148 1.871 302 HB3 PRO 47 2HB PRO 47 -0.565 -5.793 2.458 303 HG2 PRO 47 1HG PRO 47 1.059 -4.402 0.416 304 HG3 PRO 47 2HG PRO 47 1.435 -5.861 1.312 305 HD2 PRO 47 1HD PRO 47 0.567 -5.699 -1.417 306 HD3 PRO 47 2HD PRO 47 0.832 -7.160 -0.486 307 H LEU 48 H LEU 48 -3.648 -4.240 1.780 308 HA LEU 48 HA LEU 48 -3.979 -2.552 -0.602 309 HB2 LEU 48 1HB LEU 48 -6.110 -3.005 1.461 310 HB3 LEU 48 2HB LEU 48 -6.268 -2.419 -0.183 311 HG LEU 48 HG LEU 48 -5.155 -5.090 -0.191 312 HD11 LEU 48 1HD1 LEU 48 -6.202 -5.542 1.882 313 HD12 LEU 48 2HD1 LEU 48 -7.687 -4.682 1.409 314 HD13 LEU 48 3HD1 LEU 48 -7.265 -6.225 0.628 315 HD21 LEU 48 1HD2 LEU 48 -6.345 -3.804 -2.030 316 HD22 LEU 48 2HD2 LEU 48 -6.824 -5.504 -1.807 317 HD23 LEU 48 3HD2 LEU 48 -7.863 -4.197 -1.189 318 H VAL 49 H VAL 49 -4.764 -0.283 -0.086 319 HA VAL 49 HA VAL 49 -2.964 0.879 1.739 320 HB VAL 49 HB VAL 49 -5.290 1.870 0.105 321 HG11 VAL 49 1HG1 VAL 49 -5.492 3.574 1.565 322 HG12 VAL 49 2HG1 VAL 49 -3.938 3.214 2.354 323 HG13 VAL 49 3HG1 VAL 49 -3.973 4.158 0.845 324 HG21 VAL 49 1HG2 VAL 49 -3.351 1.337 -1.198 325 HG22 VAL 49 2HG2 VAL 49 -3.434 3.110 -1.064 326 HG23 VAL 49 3HG2 VAL 49 -2.279 2.194 -0.065 327 H CYS 50 H CYS 50 -3.403 -0.256 3.750 328 HA CYS 50 HA CYS 50 -5.748 -0.560 5.005 329 HB2 CYS 50 1HB CYS 50 -3.351 -1.149 5.776 330 HB3 CYS 50 2HB CYS 50 -3.333 0.435 6.526 331 HG CYS 50 HG CYS 50 -4.584 -0.089 8.465 332 H PHE 51 H PHE 51 -3.576 2.349 5.370 333 HA PHE 51 HA PHE 51 -5.964 4.001 5.539 334 HB2 PHE 51 1HB PHE 51 -5.470 3.561 7.879 335 HB3 PHE 51 2HB PHE 51 -3.741 3.593 7.598 336 HD1 PHE 51 2HD PHE 51 -6.747 5.773 7.653 337 HD2 PHE 51 1HD PHE 51 -2.519 5.559 7.944 338 HE1 PHE 51 2HE PHE 51 -6.675 8.178 8.367 339 HE2 PHE 51 1HE PHE 51 -2.447 7.964 8.658 340 HZ PHE 51 HZ PHE 51 -4.525 9.245 8.861 341 H ILE 52 H ILE 52 -5.226 6.441 5.661 342 HA ILE 52 HA ILE 52 -2.691 6.815 4.276 343 HB ILE 52 HB ILE 52 -5.402 7.327 3.154 344 HG12 ILE 52 1HG1 ILE 52 -2.781 6.640 1.801 345 HG13 ILE 52 2HG1 ILE 52 -3.872 5.435 2.456 346 HG21 ILE 52 1HG2 ILE 52 -3.141 9.254 3.084 347 HG22 ILE 52 2HG2 ILE 52 -3.982 8.934 1.547 348 HG23 ILE 52 3HG2 ILE 52 -4.896 9.525 2.956 349 HD11 ILE 52 1HD1 ILE 52 -5.243 7.431 0.753 350 HD12 ILE 52 2HD1 ILE 52 -4.008 6.481 -0.108 351 HD13 ILE 52 3HD1 ILE 52 -5.345 5.655 0.728 352 H GLU 53 H GLU 53 -1.687 8.775 4.768 353 HA GLU 53 HA GLU 53 -2.861 10.105 7.021 354 HB2 GLU 53 1HB GLU 53 -0.161 9.853 5.810 355 HB3 GLU 53 2HB GLU 53 -0.493 11.433 6.490 356 HG2 GLU 53 1HG GLU 53 -1.504 9.709 8.445 357 HG3 GLU 53 2HG GLU 53 -0.097 8.840 7.863 358 HA PRO 54 HA PRO 54 -4.304 13.478 4.692 359 HB2 PRO 54 1HB PRO 54 -4.686 15.315 6.679 360 HB3 PRO 54 2HB PRO 54 -5.832 14.038 6.322 361 HG2 PRO 54 1HG PRO 54 -3.925 14.241 8.571 362 HG3 PRO 54 2HG PRO 54 -5.342 13.220 8.422 363 HD2 PRO 54 1HD PRO 54 -2.606 12.412 8.126 364 HD3 PRO 54 2HD PRO 54 -4.026 11.420 7.863 365 H ASP 55 H ASP 55 -3.657 15.239 3.505 366 HA ASP 55 HA ASP 55 -2.249 16.696 2.736 367 HB2 ASP 55 1HB ASP 55 -2.160 17.087 5.604 368 HB3 ASP 55 2HB ASP 55 -0.545 17.337 4.971 369 H SER 56 H SER 56 -1.495 13.703 3.430 370 HA SER 56 HA SER 56 1.373 13.929 3.548 371 HB2 SER 56 1HB SER 56 1.335 11.806 4.375 372 HB3 SER 56 2HB SER 56 -0.377 12.102 4.607 373 HG SER 56 HG SER 56 -0.807 10.596 3.158 374 HA PRO 57 HA PRO 57 2.026 12.910 -0.648 375 HB2 PRO 57 1HB PRO 57 3.767 10.805 -0.730 376 HB3 PRO 57 2HB PRO 57 4.268 12.450 -0.397 377 HG2 PRO 57 1HG PRO 57 3.981 10.184 1.480 378 HG3 PRO 57 2HG PRO 57 4.865 11.682 1.694 379 HD2 PRO 57 1HD PRO 57 2.320 11.014 2.835 380 HD3 PRO 57 2HD PRO 57 3.150 12.552 2.954 381 H ALA 58 H ALA 58 1.173 10.042 1.154 382 HA ALA 58 HA ALA 58 0.384 8.552 -1.093 383 HB1 ALA 58 1HB ALA 58 0.622 8.209 1.693 384 HB2 ALA 58 2HB ALA 58 -1.101 7.938 1.336 385 HB3 ALA 58 3HB ALA 58 0.143 6.980 0.498 386 H GLU 59 H GLU 59 -1.078 11.198 0.720 387 HA GLU 59 HA GLU 59 -3.665 10.611 -0.412 388 HB2 GLU 59 1HB GLU 59 -3.329 11.403 1.992 389 HB3 GLU 59 2HB GLU 59 -2.856 12.963 1.349 390 HG2 GLU 59 1HG GLU 59 -5.206 13.126 1.855 391 HG3 GLU 59 2HG GLU 59 -5.085 13.045 0.109 392 H ARG 60 H ARG 60 -0.957 12.950 -0.660 393 HA ARG 60 HA ARG 60 -2.138 14.884 -2.127 394 HB2 ARG 60 1HB ARG 60 0.671 13.726 -2.133 395 HB3 ARG 60 2HB ARG 60 0.269 15.022 -3.241 396 HG2 ARG 60 1HG ARG 60 -0.771 15.747 -0.652 397 HG3 ARG 60 2HG ARG 60 0.877 15.197 -0.421 398 HD2 ARG 60 1HD ARG 60 1.788 16.894 -1.774 399 HD3 ARG 60 2HD ARG 60 0.322 17.083 -2.715 400 HE ARG 60 HE ARG 60 -0.402 18.675 -1.174 401 HH11 ARG 60 2HH2 ARG 60 1.983 16.610 0.386 402 HH12 ARG 60 1HH2 ARG 60 2.002 17.525 1.856 403 HH21 ARG 60 2HH1 ARG 60 -0.377 19.882 0.766 404 HH22 ARG 60 1HH1 ARG 60 0.650 19.399 2.074 405 H CYS 61 H CYS 61 -1.069 11.624 -3.116 406 HA CYS 61 HA CYS 61 -1.080 12.043 -5.871 407 HB2 CYS 61 1HB CYS 61 -0.466 9.939 -4.185 408 HB3 CYS 61 2HB CYS 61 -1.899 9.352 -5.004 409 HG CYS 61 HG CYS 61 -0.518 8.499 -6.758 410 H GLY 62 H GLY 62 -3.607 11.616 -3.429 411 HA2 GLY 62 1HA GLY 62 -5.844 11.854 -3.571 412 HA3 GLY 62 2HA GLY 62 -5.662 12.379 -5.233 413 H LEU 63 H LEU 63 -4.725 10.346 -6.694 414 HA LEU 63 HA LEU 63 -6.844 8.662 -7.047 415 HB2 LEU 63 1HB LEU 63 -5.682 8.076 -8.823 416 HB3 LEU 63 2HB LEU 63 -4.425 9.163 -8.267 417 HG LEU 63 HG LEU 63 -3.484 7.162 -6.962 418 HD11 LEU 63 1HD1 LEU 63 -5.803 5.924 -7.645 419 HD12 LEU 63 2HD1 LEU 63 -4.710 5.317 -8.913 420 HD13 LEU 63 3HD1 LEU 63 -4.300 5.081 -7.197 421 HD21 LEU 63 1HD2 LEU 63 -2.196 7.892 -8.749 422 HD22 LEU 63 2HD2 LEU 63 -2.503 6.185 -9.152 423 HD23 LEU 63 3HD2 LEU 63 -3.437 7.471 -9.953 424 H LEU 64 H LEU 64 -3.902 8.199 -5.018 425 HA LEU 64 HA LEU 64 -4.503 5.545 -4.320 426 HB2 LEU 64 1HB LEU 64 -2.348 7.091 -4.102 427 HB3 LEU 64 2HB LEU 64 -2.978 7.326 -2.484 428 HG LEU 64 HG LEU 64 -2.823 4.991 -1.978 429 HD11 LEU 64 1HD1 LEU 64 -2.766 4.695 -4.898 430 HD12 LEU 64 2HD1 LEU 64 -1.598 3.661 -4.041 431 HD13 LEU 64 3HD1 LEU 64 -3.329 3.575 -3.634 432 HD21 LEU 64 1HD2 LEU 64 -0.721 5.513 -1.460 433 HD22 LEU 64 2HD2 LEU 64 -0.254 4.743 -2.995 434 HD23 LEU 64 3HD2 LEU 64 -0.518 6.502 -2.926 435 H GLN 65 H GLN 65 -5.881 4.673 -2.839 436 HA GLN 65 HA GLN 65 -6.780 6.239 -0.654 437 HB2 GLN 65 1HB GLN 65 -9.196 6.167 -1.217 438 HB3 GLN 65 2HB GLN 65 -8.294 7.133 -2.369 439 HG2 GLN 65 1HG GLN 65 -8.115 4.771 -3.661 440 HG3 GLN 65 2HG GLN 65 -9.567 4.426 -2.742 441 HE21 GLN 65 1HE2 GLN 65 -8.684 5.245 -5.642 442 HE22 GLN 65 2HE2 GLN 65 -9.911 6.361 -6.141 443 H VAL 66 H VAL 66 -8.122 4.921 0.868 444 HA VAL 66 HA VAL 66 -7.135 2.462 1.344 445 HB VAL 66 HB VAL 66 -9.856 3.629 1.920 446 HG11 VAL 66 1HG1 VAL 66 -10.573 1.688 2.746 447 HG12 VAL 66 2HG1 VAL 66 -9.082 0.899 2.177 448 HG13 VAL 66 3HG1 VAL 66 -9.151 1.598 3.813 449 HG21 VAL 66 1HG2 VAL 66 -7.346 3.318 3.601 450 HG22 VAL 66 2HG2 VAL 66 -7.988 4.831 2.918 451 HG23 VAL 66 3HG2 VAL 66 -8.899 3.966 4.179 452 H GLY 67 H GLY 67 -7.356 0.395 0.578 453 HA2 GLY 67 1HA GLY 67 -8.802 -1.288 -0.355 454 HA3 GLY 67 2HA GLY 67 -9.505 -0.069 -1.399 455 H ASP 68 H ASP 68 -7.087 1.313 -2.190 456 HA ASP 68 HA ASP 68 -6.414 0.008 -4.416 457 HB2 ASP 68 1HB ASP 68 -4.665 1.798 -2.668 458 HB3 ASP 68 2HB ASP 68 -4.214 1.328 -4.295 459 H ARG 69 H ARG 69 -5.114 -1.784 -4.934 460 HA ARG 69 HA ARG 69 -3.960 -3.181 -2.737 461 HB2 ARG 69 1HB ARG 69 -4.694 -3.755 -5.560 462 HB3 ARG 69 2HB ARG 69 -3.229 -4.570 -5.049 463 HG2 ARG 69 1HG ARG 69 -4.574 -6.137 -4.099 464 HG3 ARG 69 2HG ARG 69 -4.931 -4.949 -2.862 465 HD2 ARG 69 1HD ARG 69 -6.522 -5.467 -5.416 466 HD3 ARG 69 2HD ARG 69 -7.046 -5.765 -3.770 467 HE ARG 69 HE ARG 69 -6.391 -3.029 -3.865 468 HH11 ARG 69 2HH2 ARG 69 -8.664 -5.178 -5.478 469 HH12 ARG 69 1HH2 ARG 69 -9.844 -3.938 -5.745 470 HH21 ARG 69 2HH1 ARG 69 -7.947 -1.393 -4.217 471 HH22 ARG 69 1HH1 ARG 69 -9.433 -1.771 -5.023 472 H VAL 70 H VAL 70 -1.659 -4.264 -3.215 473 HA VAL 70 HA VAL 70 0.081 -2.366 -4.590 474 HB VAL 70 HB VAL 70 0.380 -3.285 -1.725 475 HG11 VAL 70 1HG1 VAL 70 2.555 -2.612 -1.684 476 HG12 VAL 70 2HG1 VAL 70 2.471 -3.063 -3.404 477 HG13 VAL 70 3HG1 VAL 70 2.308 -1.357 -2.922 478 HG21 VAL 70 1HG2 VAL 70 -0.419 -0.721 -3.035 479 HG22 VAL 70 2HG2 VAL 70 -0.981 -1.457 -1.515 480 HG23 VAL 70 3HG2 VAL 70 0.594 -0.629 -1.574 481 H LEU 71 H LEU 71 0.313 -3.931 -6.256 482 HA LEU 71 HA LEU 71 0.797 -6.621 -5.827 483 HB2 LEU 71 1HB LEU 71 1.630 -4.794 -8.081 484 HB3 LEU 71 2HB LEU 71 1.784 -6.539 -8.123 485 HG LEU 71 HG LEU 71 -0.761 -4.910 -8.018 486 HD11 LEU 71 1HD1 LEU 71 -0.593 -6.970 -10.047 487 HD12 LEU 71 2HD1 LEU 71 -0.880 -5.221 -10.214 488 HD13 LEU 71 3HD1 LEU 71 0.785 -5.848 -10.151 489 HD21 LEU 71 1HD2 LEU 71 -0.329 -7.832 -7.454 490 HD22 LEU 71 2HD2 LEU 71 -1.334 -6.645 -6.589 491 HD23 LEU 71 3HD2 LEU 71 -1.849 -7.256 -8.179 492 H SER 72 H SER 72 3.260 -4.076 -6.662 493 HA SER 72 HA SER 72 5.077 -5.542 -4.927 494 HB2 SER 72 1HB SER 72 6.915 -5.002 -6.612 495 HB3 SER 72 2HB SER 72 5.763 -6.222 -7.117 496 HG SER 72 HG SER 72 4.937 -3.659 -7.823 497 H ILE 73 H ILE 73 7.084 -4.107 -4.383 498 HA ILE 73 HA ILE 73 6.248 -1.292 -4.307 499 HB ILE 73 HB ILE 73 7.385 -3.007 -2.107 500 HG12 ILE 73 1HG1 ILE 73 4.937 -1.228 -2.105 501 HG13 ILE 73 2HG1 ILE 73 4.884 -2.923 -2.549 502 HG21 ILE 73 1HG2 ILE 73 7.816 -1.105 -0.786 503 HG22 ILE 73 2HG2 ILE 73 8.565 -0.768 -2.366 504 HG23 ILE 73 3HG2 ILE 73 7.009 -0.016 -1.940 505 HD11 ILE 73 1HD1 ILE 73 5.868 -1.806 0.117 506 HD12 ILE 73 2HD1 ILE 73 4.334 -2.664 -0.165 507 HD13 ILE 73 3HD1 ILE 73 5.881 -3.529 -0.331 508 H ASN 74 H ASN 74 7.582 -0.179 -5.628 509 HA ASN 74 HA ASN 74 9.434 0.671 -6.397 510 HB2 ASN 74 1HB ASN 74 10.327 -0.384 -3.925 511 HB3 ASN 74 2HB ASN 74 11.472 -1.021 -5.090 512 HD21 ASN 74 1HD2 ASN 74 11.116 1.329 -2.985 513 HD22 ASN 74 2HD2 ASN 74 11.949 2.652 -3.731 514 H GLY 75 H GLY 75 8.276 -2.354 -6.800 515 HA2 GLY 75 1HA GLY 75 8.605 -3.381 -8.951 516 HA3 GLY 75 2HA GLY 75 10.326 -3.089 -8.798 517 H ILE 76 H ILE 76 9.115 -3.883 -5.722 518 HA ILE 76 HA ILE 76 9.965 -6.663 -6.108 519 HB ILE 76 HB ILE 76 9.948 -4.992 -3.592 520 HG12 ILE 76 1HG1 ILE 76 11.561 -4.306 -5.470 521 HG13 ILE 76 2HG1 ILE 76 12.221 -4.569 -3.868 522 HG21 ILE 76 1HG2 ILE 76 10.322 -7.841 -4.111 523 HG22 ILE 76 2HG2 ILE 76 11.697 -7.106 -3.253 524 HG23 ILE 76 3HG2 ILE 76 10.054 -6.975 -2.580 525 HD11 ILE 76 1HD1 ILE 76 13.141 -5.764 -6.206 526 HD12 ILE 76 2HD1 ILE 76 13.488 -6.333 -4.556 527 HD13 ILE 76 3HD1 ILE 76 12.142 -7.045 -5.478 528 H ALA 77 H ALA 77 8.417 -8.195 -6.058 529 HA ALA 77 HA ALA 77 5.740 -7.579 -5.646 530 HB1 ALA 77 1HB ALA 77 7.348 -10.146 -5.716 531 HB2 ALA 77 2HB ALA 77 5.586 -10.156 -5.464 532 HB3 ALA 77 3HB ALA 77 6.267 -9.474 -6.960 533 H THR 78 H THR 78 4.405 -7.557 -3.865 534 HA THR 78 HA THR 78 5.701 -7.600 -1.297 535 HB THR 78 HB THR 78 3.390 -6.892 -0.564 536 HG1 THR 78 1HG THR 78 1.978 -6.584 -2.603 537 HG21 THR 78 1HG2 THR 78 3.303 -4.783 -1.730 538 HG22 THR 78 2HG2 THR 78 5.029 -5.215 -1.692 539 HG23 THR 78 3HG2 THR 78 4.080 -5.470 -3.176 540 H GLU 79 H GLU 79 4.304 -9.957 -3.351 541 HA GLU 79 HA GLU 79 3.323 -11.546 -1.181 542 HB2 GLU 79 1HB GLU 79 3.648 -12.213 -4.140 543 HB3 GLU 79 2HB GLU 79 2.792 -13.196 -2.970 544 HG2 GLU 79 1HG GLU 79 1.312 -11.143 -2.497 545 HG3 GLU 79 2HG GLU 79 2.064 -10.378 -3.883 546 H ASP 80 H ASP 80 6.346 -10.905 -2.686 547 HA ASP 80 HA ASP 80 7.360 -13.543 -2.113 548 HB2 ASP 80 1HB ASP 80 7.967 -11.574 -4.024 549 HB3 ASP 80 2HB ASP 80 9.308 -11.468 -2.902 550 H GLY 81 H GLY 81 6.437 -11.381 -0.072 551 HA2 GLY 81 1HA GLY 81 8.695 -11.660 1.718 552 HA3 GLY 81 2HA GLY 81 8.355 -10.013 1.226 553 H THR 82 H THR 82 8.115 -11.094 3.933 554 HA THR 82 HA THR 82 5.358 -11.595 4.473 555 HB THR 82 HB THR 82 6.170 -11.492 6.827 556 HG1 THR 82 1HG THR 82 8.280 -10.606 7.143 557 HG21 THR 82 1HG2 THR 82 6.808 -13.601 5.847 558 HG22 THR 82 2HG2 THR 82 8.037 -12.830 4.815 559 HG23 THR 82 3HG2 THR 82 8.303 -12.960 6.570 560 H MET 83 H MET 83 4.122 -10.197 6.091 561 HA MET 83 HA MET 83 3.458 -7.870 4.896 562 HB2 MET 83 1HB MET 83 2.315 -9.213 6.823 563 HB3 MET 83 2HB MET 83 3.349 -8.323 7.924 564 HG2 MET 83 1HG MET 83 1.144 -7.212 7.719 565 HG3 MET 83 2HG MET 83 2.411 -6.169 7.104 566 HE1 MET 83 1HE MET 83 1.153 -4.686 5.726 567 HE2 MET 83 2HE MET 83 2.447 -5.234 4.635 568 HE3 MET 83 3HE MET 83 0.783 -5.066 4.027 569 H GLU 84 H GLU 84 6.253 -8.525 6.895 570 HA GLU 84 HA GLU 84 6.622 -5.761 7.559 571 HB2 GLU 84 1HB GLU 84 7.733 -8.345 8.397 572 HB3 GLU 84 2HB GLU 84 8.998 -7.160 8.144 573 HG2 GLU 84 1HG GLU 84 6.733 -5.946 9.545 574 HG3 GLU 84 2HG GLU 84 7.278 -7.378 10.395 575 H GLU 85 H GLU 85 7.634 -8.113 5.114 576 HA GLU 85 HA GLU 85 9.938 -6.817 4.275 577 HB2 GLU 85 1HB GLU 85 8.086 -8.891 3.197 578 HB3 GLU 85 2HB GLU 85 9.032 -8.042 1.991 579 HG2 GLU 85 1HG GLU 85 10.709 -8.737 4.285 580 HG3 GLU 85 2HG GLU 85 9.898 -10.165 3.672 581 H ALA 86 H ALA 86 6.490 -6.563 3.196 582 HA ALA 86 HA ALA 86 6.947 -4.763 1.118 583 HB1 ALA 86 1HB ALA 86 4.831 -5.600 0.976 584 HB2 ALA 86 2HB ALA 86 4.660 -5.750 2.742 585 HB3 ALA 86 3HB ALA 86 4.422 -4.171 1.955 586 H ASN 87 H ASN 87 6.095 -4.235 4.604 587 HA ASN 87 HA ASN 87 6.012 -1.480 4.406 588 HB2 ASN 87 1HB ASN 87 6.362 -3.487 6.637 589 HB3 ASN 87 2HB ASN 87 6.723 -1.813 7.007 590 HD21 ASN 87 1HD2 ASN 87 4.299 -4.140 6.204 591 HD22 ASN 87 2HD2 ASN 87 2.895 -3.156 6.450 592 H GLN 88 H GLN 88 8.606 -3.767 5.558 593 HA GLN 88 HA GLN 88 10.505 -1.983 6.236 594 HB2 GLN 88 1HB GLN 88 10.759 -4.389 6.581 595 HB3 GLN 88 2HB GLN 88 10.820 -4.682 4.854 596 HG2 GLN 88 1HG GLN 88 13.089 -4.580 5.131 597 HG3 GLN 88 2HG GLN 88 12.851 -2.844 5.109 598 HE21 GLN 88 1HE2 GLN 88 13.426 -1.685 6.799 599 HE22 GLN 88 2HE2 GLN 88 13.857 -2.282 8.367 600 H LEU 89 H LEU 89 9.455 -2.957 2.971 601 HA LEU 89 HA LEU 89 11.665 -1.891 1.593 602 HB2 LEU 89 1HB LEU 89 8.907 -2.794 0.910 603 HB3 LEU 89 2HB LEU 89 9.769 -1.817 -0.262 604 HG LEU 89 HG LEU 89 10.756 -4.436 0.904 605 HD11 LEU 89 1HD1 LEU 89 9.317 -3.749 -1.646 606 HD12 LEU 89 2HD1 LEU 89 10.428 -5.138 -1.571 607 HD13 LEU 89 3HD1 LEU 89 9.015 -5.070 -0.491 608 HD21 LEU 89 1HD2 LEU 89 12.767 -3.691 0.286 609 HD22 LEU 89 2HD2 LEU 89 12.206 -3.940 -1.385 610 HD23 LEU 89 3HD2 LEU 89 12.084 -2.330 -0.635 611 H LEU 90 H LEU 90 8.383 -0.568 2.384 612 HA LEU 90 HA LEU 90 8.712 1.875 1.142 613 HB2 LEU 90 1HB LEU 90 7.022 0.798 3.343 614 HB3 LEU 90 2HB LEU 90 7.092 2.539 3.150 615 HG LEU 90 HG LEU 90 5.224 1.154 1.970 616 HD11 LEU 90 1HD1 LEU 90 6.805 3.382 0.675 617 HD12 LEU 90 2HD1 LEU 90 5.248 2.792 0.044 618 HD13 LEU 90 3HD1 LEU 90 5.336 3.501 1.674 619 HD21 LEU 90 1HD2 LEU 90 6.986 -0.377 0.915 620 HD22 LEU 90 2HD2 LEU 90 5.672 0.216 -0.128 621 HD23 LEU 90 3HD2 LEU 90 7.287 0.959 -0.221 622 H ARG 91 H ARG 91 9.865 0.677 4.311 623 HA ARG 91 HA ARG 91 10.513 3.074 5.430 624 HB2 ARG 91 1HB ARG 91 10.922 0.343 6.007 625 HB3 ARG 91 2HB ARG 91 12.548 0.992 5.931 626 HG2 ARG 91 1HG ARG 91 11.359 2.962 7.402 627 HG3 ARG 91 2HG ARG 91 10.342 1.612 7.866 628 HD2 ARG 91 1HD ARG 91 11.989 0.672 9.140 629 HD3 ARG 91 2HD ARG 91 13.188 0.858 7.875 630 HE ARG 91 HE ARG 91 13.943 2.788 8.943 631 HH11 ARG 91 2HH2 ARG 91 10.627 2.175 9.950 632 HH12 ARG 91 1HH2 ARG 91 10.600 3.474 11.096 633 HH21 ARG 91 2HH1 ARG 91 13.907 4.502 10.454 634 HH22 ARG 91 1HH1 ARG 91 12.478 4.806 11.384 635 H ASP 92 H ASP 92 12.919 0.799 3.902 636 HA ASP 92 HA ASP 92 14.985 2.505 3.766 637 HB2 ASP 92 1HB ASP 92 14.841 0.026 3.079 638 HB3 ASP 92 2HB ASP 92 14.252 0.573 1.522 639 H ALA 93 H ALA 93 12.310 2.001 1.364 640 HA ALA 93 HA ALA 93 13.220 3.683 -0.627 641 HB1 ALA 93 1HB ALA 93 10.302 3.390 0.130 642 HB2 ALA 93 2HB ALA 93 11.029 3.514 -1.490 643 HB3 ALA 93 3HB ALA 93 11.227 2.024 -0.538 644 H ALA 94 H ALA 94 11.754 4.377 2.531 645 HA ALA 94 HA ALA 94 11.014 7.041 1.945 646 HB1 ALA 94 1HB ALA 94 11.746 6.322 4.732 647 HB2 ALA 94 2HB ALA 94 10.236 7.008 4.085 648 HB3 ALA 94 3HB ALA 94 10.542 5.258 3.964 649 H LEU 95 H LEU 95 14.017 5.412 2.977 650 HA LEU 95 HA LEU 95 15.335 7.803 3.742 651 HB2 LEU 95 1HB LEU 95 16.438 5.096 2.977 652 HB3 LEU 95 2HB LEU 95 17.341 6.389 3.740 653 HG LEU 95 HG LEU 95 14.937 5.022 4.979 654 HD11 LEU 95 1HD1 LEU 95 17.197 4.377 6.472 655 HD12 LEU 95 2HD1 LEU 95 16.286 3.301 5.385 656 HD13 LEU 95 3HD1 LEU 95 17.711 4.179 4.780 657 HD21 LEU 95 1HD2 LEU 95 14.944 6.696 6.433 658 HD22 LEU 95 2HD2 LEU 95 16.587 6.225 6.928 659 HD23 LEU 95 3HD2 LEU 95 16.357 7.432 5.640 660 H ALA 96 H ALA 96 14.369 6.477 0.720 661 HA ALA 96 HA ALA 96 16.548 7.758 -0.720 662 HB1 ALA 96 1HB ALA 96 14.551 5.646 -1.213 663 HB2 ALA 96 2HB ALA 96 14.760 6.765 -2.582 664 HB3 ALA 96 3HB ALA 96 16.163 5.884 -1.930 665 H HIS 97 H HIS 97 13.422 8.458 0.556 666 HA HIS 97 HA HIS 97 12.207 10.292 0.463 667 HB2 HIS 97 1HB HIS 97 14.157 11.445 -1.545 668 HB3 HIS 97 2HB HIS 97 12.994 12.323 -0.573 669 HD1 HIS 97 1HD HIS 97 15.937 13.115 -0.386 670 HD2 HIS 97 2HD HIS 97 14.156 10.273 2.132 671 HE1 HIS 97 1HE HIS 97 17.383 13.015 1.714 672 H LYS 98 H LYS 98 12.469 7.971 -1.729 673 HA LYS 98 HA LYS 98 10.158 8.897 -3.174 674 HB2 LYS 98 1HB LYS 98 12.247 9.718 -4.430 675 HB3 LYS 98 2HB LYS 98 12.550 8.033 -4.804 676 HG2 LYS 98 1HG LYS 98 10.011 8.028 -5.581 677 HG3 LYS 98 2HG LYS 98 10.215 9.767 -5.654 678 HD2 LYS 98 1HD LYS 98 10.963 9.335 -7.782 679 HD3 LYS 98 2HD LYS 98 12.481 9.004 -6.973 680 HE2 LYS 98 1HE LYS 98 10.938 6.598 -6.792 681 HE3 LYS 98 2HE LYS 98 10.764 7.170 -8.439 682 HZ1 LYS 98 1HZ LYS 98 12.745 5.747 -7.927 683 HZ2 LYS 98 2HZ LYS 98 13.055 7.131 -8.737 684 HZ3 LYS 98 3HZ LYS 98 13.385 7.028 -7.141 685 H VAL 99 H VAL 99 8.887 7.164 -3.948 686 HA VAL 99 HA VAL 99 9.981 4.498 -3.757 687 HB VAL 99 HB VAL 99 9.300 5.042 -1.453 688 HG11 VAL 99 1HG1 VAL 99 6.461 5.205 -2.506 689 HG12 VAL 99 2HG1 VAL 99 7.029 5.479 -0.842 690 HG13 VAL 99 3HG1 VAL 99 7.457 6.631 -2.130 691 HG21 VAL 99 1HG2 VAL 99 7.889 2.899 -3.024 692 HG22 VAL 99 2HG2 VAL 99 9.215 2.757 -1.845 693 HG23 VAL 99 3HG2 VAL 99 7.559 3.093 -1.285 694 H VAL 100 H VAL 100 8.715 2.955 -4.935 695 HA VAL 100 HA VAL 100 6.559 4.200 -6.498 696 HB VAL 100 HB VAL 100 8.600 2.166 -7.420 697 HG11 VAL 100 1HG1 VAL 100 6.217 3.463 -8.737 698 HG12 VAL 100 2HG1 VAL 100 7.602 2.900 -9.703 699 HG13 VAL 100 3HG1 VAL 100 6.691 1.748 -8.697 700 HG21 VAL 100 1HG2 VAL 100 8.926 4.409 -8.985 701 HG22 VAL 100 2HG2 VAL 100 8.623 5.107 -7.376 702 HG23 VAL 100 3HG2 VAL 100 9.956 3.949 -7.608 703 H LEU 101 H LEU 101 4.691 2.960 -6.832 704 HA LEU 101 HA LEU 101 4.706 0.301 -5.608 705 HB2 LEU 101 1HB LEU 101 2.396 2.158 -5.175 706 HB3 LEU 101 2HB LEU 101 2.830 0.699 -4.306 707 HG LEU 101 HG LEU 101 4.607 3.128 -4.182 708 HD11 LEU 101 1HD1 LEU 101 1.908 2.823 -3.018 709 HD12 LEU 101 2HD1 LEU 101 3.178 3.353 -1.889 710 HD13 LEU 101 3HD1 LEU 101 2.858 4.287 -3.370 711 HD21 LEU 101 1HD2 LEU 101 4.089 1.116 -2.003 712 HD22 LEU 101 2HD2 LEU 101 5.233 0.775 -3.324 713 HD23 LEU 101 3HD2 LEU 101 5.498 2.174 -2.256 714 H GLU 102 H GLU 102 3.076 -1.147 -6.472 715 HA GLU 102 HA GLU 102 1.977 -0.152 -8.984 716 HB2 GLU 102 1HB GLU 102 3.898 -1.617 -9.457 717 HB3 GLU 102 2HB GLU 102 3.231 -2.878 -8.439 718 HG2 GLU 102 1HG GLU 102 1.995 -3.667 -10.166 719 HG3 GLU 102 2HG GLU 102 1.192 -2.118 -10.333 720 H VAL 103 H VAL 103 -0.218 -0.078 -8.792 721 HA VAL 103 HA VAL 103 -1.488 -1.934 -6.943 722 HB VAL 103 HB VAL 103 -2.904 0.213 -8.477 723 HG11 VAL 103 1HG1 VAL 103 -4.552 -0.272 -7.056 724 HG12 VAL 103 2HG1 VAL 103 -3.546 -1.567 -6.365 725 HG13 VAL 103 3HG1 VAL 103 -3.496 0.068 -5.665 726 HG21 VAL 103 1HG2 VAL 103 -1.302 1.673 -7.787 727 HG22 VAL 103 2HG2 VAL 103 -2.221 1.591 -6.265 728 HG23 VAL 103 3HG2 VAL 103 -0.746 0.616 -6.468 729 H GLU 104 H GLU 104 -3.534 -3.036 -7.654 730 HA GLU 104 HA GLU 104 -3.349 -3.691 -10.491 731 HB2 GLU 104 1HB GLU 104 -2.539 -5.477 -8.776 732 HB3 GLU 104 2HB GLU 104 -4.231 -5.671 -8.361 733 HG2 GLU 104 1HG GLU 104 -4.509 -5.860 -11.030 734 HG3 GLU 104 2HG GLU 104 -2.822 -6.326 -10.948 735 H PHE 105 H PHE 105 -5.268 -3.624 -11.651 736 HA PHE 105 HA PHE 105 -7.783 -4.021 -10.519 737 HB2 PHE 105 1HB PHE 105 -8.551 -1.614 -10.597 738 HB3 PHE 105 2HB PHE 105 -7.280 -1.834 -9.411 739 HD1 PHE 105 1HD PHE 105 -7.689 -0.928 -13.011 740 HD2 PHE 105 2HD PHE 105 -5.510 -0.352 -9.416 741 HE1 PHE 105 1HE PHE 105 -6.345 0.882 -14.115 742 HE2 PHE 105 2HE PHE 105 -4.166 1.457 -10.520 743 HZ PHE 105 HZ PHE 105 -4.600 2.052 -12.856 744 H ASP 106 H ASP 106 -9.577 -3.173 -12.108 745 HA ASP 106 HA ASP 106 -8.468 -3.542 -14.770 746 HB2 ASP 106 1HB ASP 106 -11.356 -3.833 -13.820 747 HB3 ASP 106 2HB ASP 106 -10.750 -4.265 -15.406 748 H SER 107 H SER 107 -8.292 -1.596 -15.894 749 HA SER 107 HA SER 107 -9.717 0.677 -15.016 750 HB2 SER 107 1HB SER 107 -7.503 0.989 -15.919 751 HB3 SER 107 2HB SER 107 -7.897 0.120 -17.389 752 HG SER 107 HG SER 107 -9.342 2.505 -16.675 753 H GLY 108 H GLY 108 -11.952 0.563 -15.309 754 HA2 GLY 108 1HA GLY 108 -13.007 -0.450 -17.833 755 HA3 GLY 108 2HA GLY 108 -13.906 -0.030 -16.388 756 HA PRO 109 HA PRO 109 -14.105 3.438 -19.422 757 HB2 PRO 109 1HB PRO 109 -16.679 3.168 -20.300 758 HB3 PRO 109 2HB PRO 109 -15.296 2.546 -21.179 759 HG2 PRO 109 1HG PRO 109 -17.288 1.067 -19.572 760 HG3 PRO 109 2HG PRO 109 -16.178 0.452 -20.781 761 HD2 PRO 109 1HD PRO 109 -15.914 0.224 -17.934 762 HD3 PRO 109 2HD PRO 109 -14.749 -0.287 -19.138 763 H SER 110 H SER 110 -16.868 2.357 -17.500 764 HA SER 110 HA SER 110 -16.689 4.929 -16.170 765 HB2 SER 110 1HB SER 110 -19.343 3.715 -17.046 766 HB3 SER 110 2HB SER 110 -19.100 5.275 -16.284 767 HG SER 110 HG SER 110 -17.973 6.004 -18.174 768 H SER 111 H SER 111 -16.936 4.760 -13.935 769 HA SER 111 HA SER 111 -17.027 3.801 -11.987 770 HB2 SER 111 1HB SER 111 -19.391 2.373 -13.275 771 HB3 SER 111 2HB SER 111 -19.026 2.254 -11.565 772 HG SER 111 HG SER 111 -19.078 4.893 -12.522 773 H GLY 112 H GLY 112 -14.945 2.734 -12.199 774 HA2 GLY 112 1HA GLY 112 -15.002 -0.047 -11.744 775 HA3 GLY 112 2HA GLY 112 -14.540 0.248 -13.408 Start of MODEL 7 1 H1 GLY 1 H GLY 1 25.720 -17.264 -26.604 2 HA2 GLY 1 1HA GLY 1 23.922 -15.963 -26.234 3 HA3 GLY 1 2HA GLY 1 24.780 -14.750 -27.163 4 H SER 2 H SER 2 22.896 -13.892 -28.169 5 HA SER 2 HA SER 2 22.204 -15.148 -30.548 6 HB2 SER 2 1HB SER 2 20.414 -15.644 -28.208 7 HB3 SER 2 2HB SER 2 19.605 -15.154 -29.683 8 HG SER 2 HG SER 2 21.052 -17.528 -29.109 9 H SER 3 H SER 3 20.256 -13.861 -31.616 10 HA SER 3 HA SER 3 19.602 -11.395 -30.444 11 HB2 SER 3 1HB SER 3 21.879 -11.497 -32.413 12 HB3 SER 3 2HB SER 3 20.764 -10.150 -32.522 13 HG SER 3 HG SER 3 22.440 -10.911 -30.303 14 H GLY 4 H GLY 4 17.698 -10.670 -31.407 15 HA2 GLY 4 1HA GLY 4 17.001 -10.689 -34.045 16 HA3 GLY 4 2HA GLY 4 16.560 -12.289 -33.485 17 H SER 5 H SER 5 14.430 -10.945 -34.287 18 HA SER 5 HA SER 5 13.394 -9.327 -32.168 19 HB2 SER 5 1HB SER 5 11.314 -9.341 -33.694 20 HB3 SER 5 2HB SER 5 12.761 -8.583 -34.328 21 HG SER 5 HG SER 5 13.086 -10.244 -35.743 22 H SER 6 H SER 6 13.105 -10.669 -30.338 23 HA SER 6 HA SER 6 11.176 -12.815 -30.761 24 HB2 SER 6 1HB SER 6 12.304 -14.219 -29.236 25 HB3 SER 6 2HB SER 6 13.607 -13.493 -30.155 26 HG SER 6 HG SER 6 12.899 -13.153 -27.445 27 H GLY 7 H GLY 7 9.276 -12.513 -29.647 28 HA2 GLY 7 1HA GLY 7 8.904 -10.241 -27.995 29 HA3 GLY 7 2HA GLY 7 7.767 -11.541 -28.287 30 H GLY 8 H GLY 8 7.756 -10.547 -25.762 31 HA2 GLY 8 1HA GLY 8 9.608 -11.992 -24.067 32 HA3 GLY 8 2HA GLY 8 8.330 -10.899 -23.576 33 H GLY 9 H GLY 9 6.574 -11.802 -22.592 34 HA2 GLY 9 1HA GLY 9 5.089 -13.929 -23.458 35 HA3 GLY 9 2HA GLY 9 6.330 -14.654 -22.455 36 H GLN 10 H GLN 10 3.816 -14.996 -21.533 37 HA GLN 10 HA GLN 10 2.375 -14.583 -19.947 38 HB2 GLN 10 1HB GLN 10 5.001 -14.530 -18.823 39 HB3 GLN 10 2HB GLN 10 4.081 -13.300 -17.980 40 HG2 GLN 10 1HG GLN 10 2.285 -15.462 -18.165 41 HG3 GLN 10 2HG GLN 10 3.829 -16.232 -17.855 42 HE21 GLN 10 1HE2 GLN 10 1.196 -14.620 -16.544 43 HE22 GLN 10 2HE2 GLN 10 1.788 -14.309 -14.947 44 H ILE 11 H ILE 11 1.180 -12.945 -21.146 45 HA ILE 11 HA ILE 11 1.729 -10.307 -21.343 46 HB ILE 11 HB ILE 11 -0.279 -11.831 -22.106 47 HG12 ILE 11 1HG1 ILE 11 -1.580 -9.541 -22.400 48 HG13 ILE 11 2HG1 ILE 11 -0.082 -8.856 -21.801 49 HG21 ILE 11 1HG2 ILE 11 -2.300 -11.572 -20.960 50 HG22 ILE 11 2HG2 ILE 11 -1.111 -11.910 -19.679 51 HG23 ILE 11 3HG2 ILE 11 -1.672 -10.243 -19.955 52 HD11 ILE 11 1HD1 ILE 11 0.471 -10.922 -23.796 53 HD12 ILE 11 2HD1 ILE 11 -0.623 -9.678 -24.447 54 HD13 ILE 11 3HD1 ILE 11 0.961 -9.211 -23.782 55 H VAL 12 H VAL 12 1.384 -8.411 -20.109 56 HA VAL 12 HA VAL 12 2.079 -8.470 -17.501 57 HB VAL 12 HB VAL 12 2.093 -6.467 -18.796 58 HG11 VAL 12 1HG1 VAL 12 -0.910 -6.242 -18.719 59 HG12 VAL 12 2HG1 VAL 12 0.260 -5.422 -19.782 60 HG13 VAL 12 3HG1 VAL 12 -0.103 -7.148 -20.021 61 HG21 VAL 12 1HG2 VAL 12 2.018 -5.512 -16.769 62 HG22 VAL 12 2HG2 VAL 12 0.318 -5.133 -17.136 63 HG23 VAL 12 3HG2 VAL 12 0.723 -6.599 -16.211 64 H HIS 13 H HIS 13 -1.294 -8.471 -18.830 65 HA HIS 13 HA HIS 13 -3.130 -9.381 -17.998 66 HB2 HIS 13 1HB HIS 13 -1.198 -10.844 -16.667 67 HB3 HIS 13 2HB HIS 13 -2.157 -10.199 -15.350 68 HD1 HIS 13 1HD HIS 13 -2.086 -12.914 -17.775 69 HD2 HIS 13 2HD HIS 13 -5.061 -10.827 -15.681 70 HE1 HIS 13 1HE HIS 13 -4.182 -14.365 -17.877 71 H THR 14 H THR 14 -4.700 -7.966 -17.437 72 HA THR 14 HA THR 14 -5.766 -6.301 -16.419 73 HB THR 14 HB THR 14 -4.096 -6.912 -13.939 74 HG1 THR 14 1HG THR 14 -4.829 -8.963 -14.389 75 HG21 THR 14 1HG2 THR 14 -6.607 -5.517 -14.518 76 HG22 THR 14 2HG2 THR 14 -6.900 -6.920 -13.462 77 HG23 THR 14 3HG2 THR 14 -5.744 -5.660 -12.968 78 H GLU 15 H GLU 15 -5.541 -4.097 -15.353 79 HA GLU 15 HA GLU 15 -3.174 -2.923 -16.509 80 HB2 GLU 15 1HB GLU 15 -5.842 -1.848 -15.559 81 HB3 GLU 15 2HB GLU 15 -4.499 -0.752 -15.819 82 HG2 GLU 15 1HG GLU 15 -4.576 -2.486 -18.098 83 HG3 GLU 15 2HG GLU 15 -6.233 -2.006 -17.788 84 H THR 16 H THR 16 -2.097 -1.064 -15.243 85 HA THR 16 HA THR 16 -2.318 -1.219 -12.376 86 HB THR 16 HB THR 16 0.252 -1.792 -12.312 87 HG1 THR 16 1HG THR 16 0.600 -1.716 -14.600 88 HG21 THR 16 1HG2 THR 16 -0.178 -4.138 -12.129 89 HG22 THR 16 2HG2 THR 16 -1.742 -3.396 -11.714 90 HG23 THR 16 3HG2 THR 16 -1.482 -4.077 -13.338 91 H THR 17 H THR 17 -1.349 0.545 -11.306 92 HA THR 17 HA THR 17 -0.343 2.606 -13.157 93 HB THR 17 HB THR 17 -2.755 2.823 -12.135 94 HG1 THR 17 1HG THR 17 -2.052 5.165 -11.649 95 HG21 THR 17 1HG2 THR 17 -0.955 3.510 -9.754 96 HG22 THR 17 2HG2 THR 17 -2.646 4.043 -9.906 97 HG23 THR 17 3HG2 THR 17 -2.268 2.308 -9.778 98 H GLU 18 H GLU 18 1.513 3.667 -12.637 99 HA GLU 18 HA GLU 18 2.796 2.666 -10.228 100 HB2 GLU 18 1HB GLU 18 3.945 2.271 -12.417 101 HB3 GLU 18 2HB GLU 18 4.027 4.001 -12.679 102 HG2 GLU 18 1HG GLU 18 5.575 4.334 -10.909 103 HG3 GLU 18 2HG GLU 18 5.150 2.828 -10.120 104 H VAL 19 H VAL 19 2.918 4.013 -8.488 105 HA VAL 19 HA VAL 19 2.608 6.881 -9.019 106 HB VAL 19 HB VAL 19 2.047 5.226 -6.551 107 HG11 VAL 19 1HG1 VAL 19 1.724 8.202 -7.054 108 HG12 VAL 19 2HG1 VAL 19 1.024 7.330 -5.669 109 HG13 VAL 19 3HG1 VAL 19 2.791 7.417 -5.865 110 HG21 VAL 19 1HG2 VAL 19 -0.334 6.221 -7.131 111 HG22 VAL 19 2HG2 VAL 19 0.343 6.296 -8.775 112 HG23 VAL 19 3HG2 VAL 19 0.259 4.738 -7.918 113 H VAL 20 H VAL 20 3.890 8.366 -7.620 114 HA VAL 20 HA VAL 20 6.378 7.109 -6.705 115 HB VAL 20 HB VAL 20 6.049 9.543 -8.466 116 HG11 VAL 20 1HG1 VAL 20 8.083 10.315 -7.900 117 HG12 VAL 20 2HG1 VAL 20 7.896 9.322 -6.434 118 HG13 VAL 20 3HG1 VAL 20 8.789 8.682 -7.834 119 HG21 VAL 20 1HG2 VAL 20 7.987 7.835 -9.524 120 HG22 VAL 20 2HG2 VAL 20 6.703 6.745 -8.948 121 HG23 VAL 20 3HG2 VAL 20 6.316 8.043 -10.103 122 H LEU 21 H LEU 21 5.962 7.262 -4.512 123 HA LEU 21 HA LEU 21 4.928 9.772 -3.495 124 HB2 LEU 21 1HB LEU 21 5.108 6.988 -2.591 125 HB3 LEU 21 2HB LEU 21 5.457 8.159 -1.336 126 HG LEU 21 HG LEU 21 3.315 9.100 -1.422 127 HD11 LEU 21 1HD1 LEU 21 1.856 7.901 -3.482 128 HD12 LEU 21 2HD1 LEU 21 2.431 9.584 -3.402 129 HD13 LEU 21 3HD1 LEU 21 3.414 8.346 -4.219 130 HD21 LEU 21 1HD2 LEU 21 1.807 6.884 -1.702 131 HD22 LEU 21 2HD2 LEU 21 3.418 6.141 -1.550 132 HD23 LEU 21 3HD2 LEU 21 2.813 7.224 -0.273 133 H CYS 22 H CYS 22 6.118 11.321 -2.450 134 HA CYS 22 HA CYS 22 8.957 10.678 -2.098 135 HB2 CYS 22 1HB CYS 22 8.956 12.221 -3.859 136 HB3 CYS 22 2HB CYS 22 7.634 13.156 -3.187 137 HG CYS 22 HG CYS 22 10.429 13.989 -3.162 138 H GLY 23 H GLY 23 9.931 11.479 -0.137 139 HA2 GLY 23 1HA GLY 23 8.619 13.191 1.679 140 HA3 GLY 23 2HA GLY 23 8.293 11.528 2.125 141 H ASP 24 H ASP 24 9.650 12.770 4.024 142 HA ASP 24 HA ASP 24 12.465 12.580 3.491 143 HB2 ASP 24 1HB ASP 24 10.704 13.791 5.536 144 HB3 ASP 24 2HB ASP 24 12.119 13.032 6.239 145 HA PRO 25 HA PRO 25 12.921 8.749 5.582 146 HB2 PRO 25 1HB PRO 25 15.230 9.000 7.022 147 HB3 PRO 25 2HB PRO 25 15.205 8.702 5.295 148 HG2 PRO 25 1HG PRO 25 15.817 11.210 6.735 149 HG3 PRO 25 2HG PRO 25 16.191 10.776 5.079 150 HD2 PRO 25 1HD PRO 25 14.099 12.528 5.962 151 HD3 PRO 25 2HD PRO 25 14.401 12.002 4.318 152 H LEU 26 H LEU 26 12.457 11.525 7.430 153 HA LEU 26 HA LEU 26 11.949 9.863 9.791 154 HB2 LEU 26 1HB LEU 26 13.030 12.540 9.358 155 HB3 LEU 26 2HB LEU 26 11.744 12.515 10.548 156 HG LEU 26 HG LEU 26 14.190 10.729 10.649 157 HD11 LEU 26 1HD1 LEU 26 15.175 12.756 11.039 158 HD12 LEU 26 2HD1 LEU 26 13.690 13.484 11.697 159 HD13 LEU 26 3HD1 LEU 26 14.639 12.349 12.687 160 HD21 LEU 26 1HD2 LEU 26 11.765 10.389 11.902 161 HD22 LEU 26 2HD2 LEU 26 13.325 9.729 12.449 162 HD23 LEU 26 3HD2 LEU 26 12.719 11.259 13.127 163 H SER 27 H SER 27 10.568 12.397 7.623 164 HA SER 27 HA SER 27 8.080 12.338 8.953 165 HB2 SER 27 1HB SER 27 9.144 14.219 7.487 166 HB3 SER 27 2HB SER 27 8.535 13.316 6.114 167 HG SER 27 HG SER 27 7.171 14.945 7.891 168 H GLY 28 H GLY 28 9.678 10.277 6.689 169 HA2 GLY 28 1HA GLY 28 9.021 8.447 5.564 170 HA3 GLY 28 2HA GLY 28 7.580 8.427 6.562 171 H PHE 29 H PHE 29 6.023 7.951 4.996 172 HA PHE 29 HA PHE 29 5.806 9.930 2.836 173 HB2 PHE 29 1HB PHE 29 5.165 6.940 3.094 174 HB3 PHE 29 2HB PHE 29 4.481 7.894 1.793 175 HD1 PHE 29 2HD PHE 29 6.832 9.642 1.164 176 HD2 PHE 29 1HD PHE 29 6.588 5.479 1.949 177 HE1 PHE 29 2HE PHE 29 8.903 9.263 -0.204 178 HE2 PHE 29 1HE PHE 29 8.658 5.099 0.582 179 HZ PHE 29 HZ PHE 29 9.791 6.996 -0.478 180 H GLY 30 H GLY 30 3.430 7.406 3.697 181 HA2 GLY 30 1HA GLY 30 1.761 8.392 5.475 182 HA3 GLY 30 2HA GLY 30 1.449 9.506 4.159 183 H LEU 31 H LEU 31 1.824 5.931 4.725 184 HA LEU 31 HA LEU 31 -0.726 5.462 3.520 185 HB2 LEU 31 1HB LEU 31 -0.153 4.459 1.560 186 HB3 LEU 31 2HB LEU 31 1.003 5.774 1.621 187 HG LEU 31 HG LEU 31 2.375 3.721 2.866 188 HD11 LEU 31 1HD1 LEU 31 1.727 1.706 2.197 189 HD12 LEU 31 2HD1 LEU 31 0.243 2.460 1.568 190 HD13 LEU 31 3HD1 LEU 31 1.645 2.226 0.496 191 HD21 LEU 31 1HD2 LEU 31 2.441 5.145 0.299 192 HD22 LEU 31 2HD2 LEU 31 3.749 4.770 1.446 193 HD23 LEU 31 3HD2 LEU 31 3.224 3.547 0.265 194 H GLN 32 H GLN 32 -1.619 3.594 4.341 195 HA GLN 32 HA GLN 32 0.231 1.972 5.912 196 HB2 GLN 32 1HB GLN 32 -2.417 3.164 6.558 197 HB3 GLN 32 2HB GLN 32 -2.237 1.490 7.047 198 HG2 GLN 32 1HG GLN 32 -0.074 3.533 7.675 199 HG3 GLN 32 2HG GLN 32 -1.479 3.370 8.710 200 HE21 GLN 32 1HE2 GLN 32 0.945 2.919 9.755 201 HE22 GLN 32 2HE2 GLN 32 1.210 1.241 10.088 202 H LEU 33 H LEU 33 0.238 -0.242 5.551 203 HA LEU 33 HA LEU 33 -1.521 -1.149 3.409 204 HB2 LEU 33 1HB LEU 33 1.123 -2.021 4.505 205 HB3 LEU 33 2HB LEU 33 0.125 -3.177 3.647 206 HG LEU 33 HG LEU 33 1.004 -0.517 2.494 207 HD11 LEU 33 1HD1 LEU 33 2.486 -2.108 1.068 208 HD12 LEU 33 2HD1 LEU 33 3.025 -1.626 2.694 209 HD13 LEU 33 3HD1 LEU 33 2.296 -3.229 2.437 210 HD21 LEU 33 1HD2 LEU 33 -1.036 -2.237 1.692 211 HD22 LEU 33 2HD2 LEU 33 -0.274 -0.950 0.727 212 HD23 LEU 33 3HD2 LEU 33 0.324 -2.622 0.611 213 H GLN 34 H GLN 34 -2.486 -3.368 3.609 214 HA GLN 34 HA GLN 34 -2.966 -4.072 6.382 215 HB2 GLN 34 1HB GLN 34 -4.962 -2.927 6.101 216 HB3 GLN 34 2HB GLN 34 -4.994 -3.174 4.367 217 HG2 GLN 34 1HG GLN 34 -5.921 -5.329 4.542 218 HG3 GLN 34 2HG GLN 34 -5.280 -5.593 6.152 219 HE21 GLN 34 1HE2 GLN 34 -7.789 -4.154 4.229 220 HE22 GLN 34 2HE2 GLN 34 -8.900 -3.770 5.501 221 H GLY 35 H GLY 35 -2.269 -6.155 6.568 222 HA2 GLY 35 1HA GLY 35 -3.147 -8.086 4.546 223 HA3 GLY 35 2HA GLY 35 -1.426 -7.916 4.830 224 H GLY 36 H GLY 36 -1.021 -9.926 5.797 225 HA2 GLY 36 1HA GLY 36 -2.624 -11.230 7.642 226 HA3 GLY 36 2HA GLY 36 -0.891 -11.424 7.467 227 H ILE 37 H ILE 37 -1.570 -11.762 9.977 228 HA ILE 37 HA ILE 37 -1.462 -9.163 11.310 229 HB ILE 37 HB ILE 37 -2.090 -11.922 12.368 230 HG12 ILE 37 1HG1 ILE 37 -3.730 -10.697 10.758 231 HG13 ILE 37 2HG1 ILE 37 -4.336 -11.428 12.231 232 HG21 ILE 37 1HG2 ILE 37 -1.887 -9.229 13.705 233 HG22 ILE 37 2HG2 ILE 37 -2.933 -10.516 14.352 234 HG23 ILE 37 3HG2 ILE 37 -1.181 -10.788 14.194 235 HD11 ILE 37 1HD1 ILE 37 -5.205 -9.095 11.837 236 HD12 ILE 37 2HD1 ILE 37 -4.343 -9.270 13.384 237 HD13 ILE 37 3HD1 ILE 37 -3.538 -8.491 12.001 238 H PHE 38 H PHE 38 0.064 -12.460 11.467 239 HA PHE 38 HA PHE 38 2.167 -11.617 13.109 240 HB2 PHE 38 1HB PHE 38 2.054 -13.852 10.997 241 HB3 PHE 38 2HB PHE 38 3.104 -13.832 12.400 242 HD1 PHE 38 2HD PHE 38 2.184 -14.230 14.645 243 HD2 PHE 38 1HD PHE 38 -0.265 -14.475 11.188 244 HE1 PHE 38 2HE PHE 38 0.438 -15.455 15.969 245 HE2 PHE 38 1HE PHE 38 -2.011 -15.701 12.512 246 HZ PHE 38 HZ PHE 38 -1.638 -16.176 14.886 247 H ALA 39 H ALA 39 4.004 -10.482 12.683 248 HA ALA 39 HA ALA 39 4.464 -9.196 10.324 249 HB1 ALA 39 1HB ALA 39 6.960 -9.321 11.297 250 HB2 ALA 39 2HB ALA 39 5.692 -8.347 12.079 251 HB3 ALA 39 3HB ALA 39 6.098 -9.958 12.718 252 H THR 40 H THR 40 5.656 -12.428 11.402 253 HA THR 40 HA THR 40 7.209 -12.821 9.037 254 HB THR 40 HB THR 40 7.688 -14.950 10.066 255 HG1 THR 40 1HG THR 40 5.340 -14.377 11.724 256 HG21 THR 40 1HG2 THR 40 8.621 -14.117 11.980 257 HG22 THR 40 2HG2 THR 40 7.733 -12.602 11.685 258 HG23 THR 40 3HG2 THR 40 7.011 -13.874 12.700 259 H GLU 41 H GLU 41 6.595 -15.393 8.200 260 HA GLU 41 HA GLU 41 5.313 -16.521 6.856 261 HB2 GLU 41 1HB GLU 41 2.965 -14.927 7.978 262 HB3 GLU 41 2HB GLU 41 2.836 -16.397 7.032 263 HG2 GLU 41 1HG GLU 41 4.661 -17.009 9.130 264 HG3 GLU 41 2HG GLU 41 3.376 -16.089 9.887 265 H THR 42 H THR 42 5.543 -16.181 4.692 266 HA THR 42 HA THR 42 5.636 -13.654 3.544 267 HB THR 42 HB THR 42 4.976 -16.291 2.144 268 HG1 THR 42 1HG THR 42 7.059 -16.857 2.726 269 HG21 THR 42 1HG2 THR 42 6.856 -14.002 1.374 270 HG22 THR 42 2HG2 THR 42 6.394 -15.396 0.368 271 HG23 THR 42 3HG2 THR 42 5.192 -14.143 0.759 272 H LEU 43 H LEU 43 4.236 -12.773 1.787 273 HA LEU 43 HA LEU 43 1.480 -12.916 2.718 274 HB2 LEU 43 1HB LEU 43 3.035 -10.950 1.050 275 HB3 LEU 43 2HB LEU 43 1.287 -10.900 1.152 276 HG LEU 43 HG LEU 43 3.163 -10.684 3.523 277 HD11 LEU 43 1HD1 LEU 43 3.556 -8.650 2.621 278 HD12 LEU 43 2HD1 LEU 43 2.062 -8.662 1.653 279 HD13 LEU 43 3HD1 LEU 43 1.996 -8.263 3.386 280 HD21 LEU 43 1HD2 LEU 43 1.054 -9.825 4.650 281 HD22 LEU 43 2HD2 LEU 43 0.158 -10.501 3.269 282 HD23 LEU 43 3HD2 LEU 43 1.125 -11.571 4.313 283 H SER 44 H SER 44 -0.038 -14.075 1.661 284 HA SER 44 HA SER 44 0.744 -15.339 -0.775 285 HB2 SER 44 1HB SER 44 -1.103 -15.855 1.360 286 HB3 SER 44 2HB SER 44 -2.040 -15.777 -0.119 287 HG SER 44 HG SER 44 -0.876 -17.903 0.640 288 H SER 45 H SER 45 -1.153 -12.565 0.286 289 HA SER 45 HA SER 45 -1.835 -12.105 -2.501 290 HB2 SER 45 1HB SER 45 -4.070 -11.854 -2.109 291 HB3 SER 45 2HB SER 45 -3.753 -12.854 -0.705 292 HG SER 45 HG SER 45 -3.317 -10.748 0.455 293 HA PRO 46 HA PRO 46 -0.434 -8.072 -1.655 294 HB2 PRO 46 1HB PRO 46 -1.977 -6.476 -3.250 295 HB3 PRO 46 2HB PRO 46 -0.625 -7.414 -3.854 296 HG2 PRO 46 1HG PRO 46 -3.520 -7.932 -4.152 297 HG3 PRO 46 2HG PRO 46 -2.186 -8.589 -5.079 298 HD2 PRO 46 1HD PRO 46 -3.673 -9.929 -3.024 299 HD3 PRO 46 2HD PRO 46 -2.266 -10.543 -3.870 300 HA PRO 47 HA PRO 47 -2.752 -6.413 1.507 301 HB2 PRO 47 1HB PRO 47 -1.060 -4.427 2.321 302 HB3 PRO 47 2HB PRO 47 -0.897 -6.094 2.834 303 HG2 PRO 47 1HG PRO 47 0.721 -4.595 0.866 304 HG3 PRO 47 2HG PRO 47 1.110 -6.087 1.698 305 HD2 PRO 47 1HD PRO 47 0.254 -5.813 -1.026 306 HD3 PRO 47 2HD PRO 47 0.531 -7.311 -0.160 307 H LEU 48 H LEU 48 -4.180 -4.731 2.069 308 HA LEU 48 HA LEU 48 -4.536 -2.952 -0.223 309 HB2 LEU 48 1HB LEU 48 -6.516 -3.307 1.996 310 HB3 LEU 48 2HB LEU 48 -6.782 -2.821 0.333 311 HG LEU 48 HG LEU 48 -5.701 -5.557 0.691 312 HD11 LEU 48 1HD1 LEU 48 -7.942 -6.480 1.267 313 HD12 LEU 48 2HD1 LEU 48 -7.176 -5.561 2.586 314 HD13 LEU 48 3HD1 LEU 48 -8.486 -4.825 1.631 315 HD21 LEU 48 1HD2 LEU 48 -7.165 -4.026 -1.259 316 HD22 LEU 48 2HD2 LEU 48 -6.360 -5.605 -1.425 317 HD23 LEU 48 3HD2 LEU 48 -8.048 -5.521 -0.867 318 H VAL 49 H VAL 49 -5.240 -0.666 0.281 319 HA VAL 49 HA VAL 49 -3.337 0.465 2.066 320 HB VAL 49 HB VAL 49 -5.546 1.552 0.326 321 HG11 VAL 49 1HG1 VAL 49 -4.398 2.837 2.602 322 HG12 VAL 49 2HG1 VAL 49 -3.763 3.633 1.143 323 HG13 VAL 49 3HG1 VAL 49 -5.520 3.507 1.394 324 HG21 VAL 49 1HG2 VAL 49 -3.746 0.850 -1.012 325 HG22 VAL 49 2HG2 VAL 49 -3.479 2.597 -0.803 326 HG23 VAL 49 3HG2 VAL 49 -2.531 1.432 0.153 327 H CYS 50 H CYS 50 -3.860 -0.418 4.144 328 HA CYS 50 HA CYS 50 -6.288 -0.535 5.315 329 HB2 CYS 50 1HB CYS 50 -3.926 -1.205 6.191 330 HB3 CYS 50 2HB CYS 50 -3.897 0.397 6.900 331 HG CYS 50 HG CYS 50 -4.689 -0.883 8.863 332 H PHE 51 H PHE 51 -3.945 2.253 5.473 333 HA PHE 51 HA PHE 51 -6.195 4.071 5.457 334 HB2 PHE 51 1HB PHE 51 -5.947 3.780 7.843 335 HB3 PHE 51 2HB PHE 51 -4.212 3.568 7.721 336 HD1 PHE 51 2HD PHE 51 -6.933 6.036 7.746 337 HD2 PHE 51 1HD PHE 51 -2.728 5.461 7.706 338 HE1 PHE 51 2HE PHE 51 -6.597 8.453 8.332 339 HE2 PHE 51 1HE PHE 51 -2.392 7.879 8.292 340 HZ PHE 51 HZ PHE 51 -4.330 9.346 8.598 341 H ILE 52 H ILE 52 -5.332 6.438 5.432 342 HA ILE 52 HA ILE 52 -2.654 6.558 4.283 343 HB ILE 52 HB ILE 52 -5.213 7.097 2.884 344 HG12 ILE 52 1HG1 ILE 52 -2.475 6.346 1.829 345 HG13 ILE 52 2HG1 ILE 52 -3.643 5.175 2.408 346 HG21 ILE 52 1HG2 ILE 52 -4.092 8.742 1.383 347 HG22 ILE 52 2HG2 ILE 52 -4.402 9.351 3.026 348 HG23 ILE 52 3HG2 ILE 52 -2.760 8.844 2.560 349 HD11 ILE 52 1HD1 ILE 52 -4.997 6.978 0.599 350 HD12 ILE 52 2HD1 ILE 52 -3.510 6.386 -0.180 351 HD13 ILE 52 3HD1 ILE 52 -4.721 5.229 0.422 352 H GLU 53 H GLU 53 -1.558 8.475 4.743 353 HA GLU 53 HA GLU 53 -2.665 9.940 6.894 354 HB2 GLU 53 1HB GLU 53 -0.057 9.831 5.429 355 HB3 GLU 53 2HB GLU 53 -0.416 11.337 6.249 356 HG2 GLU 53 1HG GLU 53 -1.143 9.474 8.174 357 HG3 GLU 53 2HG GLU 53 0.200 8.663 7.393 358 HA PRO 54 HA PRO 54 -4.433 13.133 4.528 359 HB2 PRO 54 1HB PRO 54 -4.903 14.961 6.505 360 HB3 PRO 54 2HB PRO 54 -5.963 13.603 6.184 361 HG2 PRO 54 1HG PRO 54 -4.030 13.965 8.391 362 HG3 PRO 54 2HG PRO 54 -5.374 12.846 8.282 363 HD2 PRO 54 1HD PRO 54 -2.595 12.228 7.936 364 HD3 PRO 54 2HD PRO 54 -3.947 11.136 7.713 365 H ASP 55 H ASP 55 -3.803 14.740 3.192 366 HA ASP 55 HA ASP 55 -2.572 16.363 2.433 367 HB2 ASP 55 1HB ASP 55 -1.250 16.641 5.167 368 HB3 ASP 55 2HB ASP 55 -1.323 17.857 3.907 369 H SER 56 H SER 56 -1.592 13.411 3.320 370 HA SER 56 HA SER 56 1.235 13.756 3.306 371 HB2 SER 56 1HB SER 56 1.285 11.596 4.030 372 HB3 SER 56 2HB SER 56 -0.436 11.813 4.277 373 HG SER 56 HG SER 56 -0.726 10.252 2.853 374 HA PRO 57 HA PRO 57 1.941 12.964 -0.930 375 HB2 PRO 57 1HB PRO 57 3.786 10.955 -1.098 376 HB3 PRO 57 2HB PRO 57 4.203 12.607 -0.690 377 HG2 PRO 57 1HG PRO 57 4.027 10.249 1.083 378 HG3 PRO 57 2HG PRO 57 4.835 11.778 1.367 379 HD2 PRO 57 1HD PRO 57 2.324 10.934 2.467 380 HD3 PRO 57 2HD PRO 57 3.076 12.505 2.657 381 H ALA 58 H ALA 58 1.440 9.861 0.648 382 HA ALA 58 HA ALA 58 0.651 8.501 -1.648 383 HB1 ALA 58 1HB ALA 58 0.404 6.796 -0.180 384 HB2 ALA 58 2HB ALA 58 1.057 7.930 1.027 385 HB3 ALA 58 3HB ALA 58 -0.703 7.728 0.856 386 H GLU 59 H GLU 59 -0.946 10.946 0.310 387 HA GLU 59 HA GLU 59 -3.534 10.221 -0.692 388 HB2 GLU 59 1HB GLU 59 -3.291 11.067 1.619 389 HB3 GLU 59 2HB GLU 59 -2.611 12.569 1.023 390 HG2 GLU 59 1HG GLU 59 -5.097 12.659 1.600 391 HG3 GLU 59 2HG GLU 59 -4.686 13.231 -0.004 392 H ARG 60 H ARG 60 -1.036 12.776 -1.143 393 HA ARG 60 HA ARG 60 -2.478 14.472 -2.702 394 HB2 ARG 60 1HB ARG 60 0.473 13.732 -2.646 395 HB3 ARG 60 2HB ARG 60 -0.112 14.935 -3.778 396 HG2 ARG 60 1HG ARG 60 -1.305 15.723 -1.372 397 HG3 ARG 60 2HG ARG 60 0.260 15.135 -0.850 398 HD2 ARG 60 1HD ARG 60 1.445 16.742 -2.110 399 HD3 ARG 60 2HD ARG 60 0.139 16.963 -3.257 400 HE ARG 60 HE ARG 60 -0.609 17.770 -0.551 401 HH11 ARG 60 2HH2 ARG 60 0.990 18.818 -3.505 402 HH12 ARG 60 1HH2 ARG 60 0.734 20.503 -3.198 403 HH21 ARG 60 2HH1 ARG 60 -0.948 19.993 -0.145 404 HH22 ARG 60 1HH1 ARG 60 -0.376 21.176 -1.274 405 H CYS 61 H CYS 61 -1.277 11.251 -3.398 406 HA CYS 61 HA CYS 61 -1.017 11.441 -6.165 407 HB2 CYS 61 1HB CYS 61 -0.240 9.560 -4.610 408 HB3 CYS 61 2HB CYS 61 -1.884 8.955 -4.669 409 HG CYS 61 HG CYS 61 -2.022 8.268 -7.015 410 H GLY 62 H GLY 62 -3.777 11.249 -3.954 411 HA2 GLY 62 1HA GLY 62 -5.984 11.501 -4.327 412 HA3 GLY 62 2HA GLY 62 -5.631 11.913 -5.993 413 H LEU 63 H LEU 63 -4.609 9.780 -7.231 414 HA LEU 63 HA LEU 63 -6.726 8.102 -7.659 415 HB2 LEU 63 1HB LEU 63 -5.429 7.491 -9.324 416 HB3 LEU 63 2HB LEU 63 -4.148 8.480 -8.652 417 HG LEU 63 HG LEU 63 -3.594 6.370 -7.217 418 HD11 LEU 63 1HD1 LEU 63 -5.824 5.365 -8.486 419 HD12 LEU 63 2HD1 LEU 63 -4.484 4.665 -9.424 420 HD13 LEU 63 3HD1 LEU 63 -4.567 4.411 -7.664 421 HD21 LEU 63 1HD2 LEU 63 -1.989 5.680 -8.816 422 HD22 LEU 63 2HD2 LEU 63 -2.993 6.235 -10.177 423 HD23 LEU 63 3HD2 LEU 63 -2.246 7.421 -9.081 424 H LEU 64 H LEU 64 -4.002 7.787 -5.334 425 HA LEU 64 HA LEU 64 -4.643 5.164 -4.549 426 HB2 LEU 64 1HB LEU 64 -2.934 7.383 -3.546 427 HB3 LEU 64 2HB LEU 64 -3.341 6.104 -2.420 428 HG LEU 64 HG LEU 64 -2.044 5.651 -5.120 429 HD11 LEU 64 1HD1 LEU 64 -0.692 6.973 -3.396 430 HD12 LEU 64 2HD1 LEU 64 -0.650 5.465 -2.452 431 HD13 LEU 64 3HD1 LEU 64 0.054 5.512 -4.086 432 HD21 LEU 64 1HD2 LEU 64 -2.503 3.505 -4.813 433 HD22 LEU 64 2HD2 LEU 64 -1.558 3.528 -3.304 434 HD23 LEU 64 3HD2 LEU 64 -3.305 3.871 -3.267 435 H GLN 65 H GLN 65 -5.505 4.513 -2.386 436 HA GLN 65 HA GLN 65 -6.818 6.149 -0.691 437 HB2 GLN 65 1HB GLN 65 -9.258 5.736 -1.440 438 HB3 GLN 65 2HB GLN 65 -8.355 6.972 -2.293 439 HG2 GLN 65 1HG GLN 65 -7.745 4.636 -3.726 440 HG3 GLN 65 2HG GLN 65 -9.429 4.410 -3.295 441 HE21 GLN 65 1HE2 GLN 65 -9.826 4.571 -5.567 442 HE22 GLN 65 2HE2 GLN 65 -9.985 6.114 -6.338 443 H VAL 66 H VAL 66 -8.276 4.916 0.826 444 HA VAL 66 HA VAL 66 -7.244 2.432 1.407 445 HB VAL 66 HB VAL 66 -9.813 3.825 2.144 446 HG11 VAL 66 1HG1 VAL 66 -10.649 1.926 2.961 447 HG12 VAL 66 2HG1 VAL 66 -9.188 1.028 2.483 448 HG13 VAL 66 3HG1 VAL 66 -9.260 1.831 4.070 449 HG21 VAL 66 1HG2 VAL 66 -8.496 3.778 4.416 450 HG22 VAL 66 2HG2 VAL 66 -7.083 3.518 3.365 451 HG23 VAL 66 3HG2 VAL 66 -8.085 4.977 3.166 452 H GLY 67 H GLY 67 -7.679 0.339 0.802 453 HA2 GLY 67 1HA GLY 67 -9.312 -1.272 0.062 454 HA3 GLY 67 2HA GLY 67 -9.974 -0.062 -1.019 455 H ASP 68 H ASP 68 -7.524 1.069 -2.041 456 HA ASP 68 HA ASP 68 -7.079 -0.324 -4.228 457 HB2 ASP 68 1HB ASP 68 -5.080 1.243 -2.546 458 HB3 ASP 68 2HB ASP 68 -4.661 0.633 -4.135 459 H ARG 69 H ARG 69 -5.166 -1.737 -4.943 460 HA ARG 69 HA ARG 69 -4.362 -3.451 -2.731 461 HB2 ARG 69 1HB ARG 69 -4.963 -4.128 -5.649 462 HB3 ARG 69 2HB ARG 69 -4.158 -5.252 -4.573 463 HG2 ARG 69 1HG ARG 69 -6.234 -5.946 -3.955 464 HG3 ARG 69 2HG ARG 69 -6.356 -4.448 -3.053 465 HD2 ARG 69 1HD ARG 69 -8.310 -4.532 -4.459 466 HD3 ARG 69 2HD ARG 69 -7.250 -3.340 -5.186 467 HE ARG 69 HE ARG 69 -6.666 -5.919 -6.310 468 HH11 ARG 69 2HH2 ARG 69 -9.148 -3.425 -6.357 469 HH12 ARG 69 1HH2 ARG 69 -9.703 -3.827 -7.948 470 HH21 ARG 69 2HH1 ARG 69 -7.398 -6.451 -8.408 471 HH22 ARG 69 1HH1 ARG 69 -8.701 -5.560 -9.122 472 H VAL 70 H VAL 70 -2.177 -3.362 -2.310 473 HA VAL 70 HA VAL 70 -0.452 -2.155 -4.292 474 HB VAL 70 HB VAL 70 -0.089 -3.040 -1.428 475 HG11 VAL 70 1HG1 VAL 70 1.932 -1.784 -3.313 476 HG12 VAL 70 2HG1 VAL 70 2.129 -1.896 -1.548 477 HG13 VAL 70 3HG1 VAL 70 2.034 -3.379 -2.529 478 HG21 VAL 70 1HG2 VAL 70 -0.389 -0.356 -2.793 479 HG22 VAL 70 2HG2 VAL 70 -1.385 -1.062 -1.498 480 HG23 VAL 70 3HG2 VAL 70 0.275 -0.525 -1.151 481 H LEU 71 H LEU 71 0.394 -3.395 -5.881 482 HA LEU 71 HA LEU 71 0.566 -6.237 -5.518 483 HB2 LEU 71 1HB LEU 71 1.313 -4.404 -7.799 484 HB3 LEU 71 2HB LEU 71 1.462 -6.149 -7.850 485 HG LEU 71 HG LEU 71 -1.044 -4.478 -7.743 486 HD11 LEU 71 1HD1 LEU 71 0.301 -6.252 -9.702 487 HD12 LEU 71 2HD1 LEU 71 -1.473 -6.359 -9.620 488 HD13 LEU 71 3HD1 LEU 71 -0.691 -4.795 -9.952 489 HD21 LEU 71 1HD2 LEU 71 -1.633 -6.042 -6.134 490 HD22 LEU 71 2HD2 LEU 71 -2.220 -6.785 -7.642 491 HD23 LEU 71 3HD2 LEU 71 -0.699 -7.346 -6.907 492 H SER 72 H SER 72 2.935 -3.568 -6.219 493 HA SER 72 HA SER 72 4.843 -5.107 -4.665 494 HB2 SER 72 1HB SER 72 6.621 -4.442 -6.379 495 HB3 SER 72 2HB SER 72 5.492 -5.681 -6.891 496 HG SER 72 HG SER 72 4.788 -2.979 -7.451 497 H ILE 73 H ILE 73 6.866 -3.643 -4.168 498 HA ILE 73 HA ILE 73 6.081 -0.830 -4.064 499 HB ILE 73 HB ILE 73 7.022 -2.463 -1.704 500 HG12 ILE 73 1HG1 ILE 73 4.366 -1.075 -2.170 501 HG13 ILE 73 2HG1 ILE 73 4.636 -2.798 -2.346 502 HG21 ILE 73 1HG2 ILE 73 7.553 0.203 -2.213 503 HG22 ILE 73 2HG2 ILE 73 6.100 0.259 -1.187 504 HG23 ILE 73 3HG2 ILE 73 7.558 -0.591 -0.620 505 HD11 ILE 73 1HD1 ILE 73 4.343 -3.082 -0.123 506 HD12 ILE 73 2HD1 ILE 73 5.722 -2.003 0.203 507 HD13 ILE 73 3HD1 ILE 73 4.080 -1.330 0.058 508 H ASN 74 H ASN 74 7.622 0.240 -5.172 509 HA ASN 74 HA ASN 74 9.606 1.006 -5.667 510 HB2 ASN 74 1HB ASN 74 10.170 -0.306 -3.205 511 HB3 ASN 74 2HB ASN 74 11.395 -0.897 -4.310 512 HD21 ASN 74 1HD2 ASN 74 11.535 0.920 -1.995 513 HD22 ASN 74 2HD2 ASN 74 12.289 2.380 -2.545 514 H GLY 75 H GLY 75 8.245 -1.828 -6.444 515 HA2 GLY 75 1HA GLY 75 8.699 -2.786 -8.580 516 HA3 GLY 75 2HA GLY 75 10.417 -2.607 -8.285 517 H ILE 76 H ILE 76 9.129 -3.486 -5.320 518 HA ILE 76 HA ILE 76 9.772 -6.294 -5.843 519 HB ILE 76 HB ILE 76 9.713 -4.769 -3.237 520 HG12 ILE 76 1HG1 ILE 76 11.462 -4.057 -4.956 521 HG13 ILE 76 2HG1 ILE 76 12.034 -4.507 -3.362 522 HG21 ILE 76 1HG2 ILE 76 9.528 -6.868 -2.438 523 HG22 ILE 76 2HG2 ILE 76 10.105 -7.616 -3.947 524 HG23 ILE 76 3HG2 ILE 76 11.272 -6.932 -2.789 525 HD11 ILE 76 1HD1 ILE 76 11.888 -6.879 -5.042 526 HD12 ILE 76 2HD1 ILE 76 12.839 -5.611 -5.851 527 HD13 ILE 76 3HD1 ILE 76 13.302 -6.171 -4.226 528 H ALA 77 H ALA 77 8.214 -7.836 -5.745 529 HA ALA 77 HA ALA 77 5.519 -6.990 -5.354 530 HB1 ALA 77 1HB ALA 77 5.883 -8.622 -7.031 531 HB2 ALA 77 2HB ALA 77 6.911 -9.612 -5.967 532 HB3 ALA 77 3HB ALA 77 5.156 -9.528 -5.682 533 H THR 78 H THR 78 4.250 -7.148 -3.545 534 HA THR 78 HA THR 78 5.525 -7.701 -1.067 535 HB THR 78 HB THR 78 3.380 -7.008 -0.161 536 HG1 THR 78 1HG THR 78 2.435 -7.426 -2.905 537 HG21 THR 78 1HG2 THR 78 3.006 -4.936 -1.228 538 HG22 THR 78 2HG2 THR 78 4.654 -5.311 -1.785 539 HG23 THR 78 3HG2 THR 78 3.263 -5.618 -2.852 540 H GLU 79 H GLU 79 3.712 -9.628 -3.395 541 HA GLU 79 HA GLU 79 2.920 -11.602 -1.584 542 HB2 GLU 79 1HB GLU 79 3.443 -11.852 -4.579 543 HB3 GLU 79 2HB GLU 79 2.500 -12.965 -3.609 544 HG2 GLU 79 1HG GLU 79 1.104 -10.811 -2.955 545 HG3 GLU 79 2HG GLU 79 1.837 -10.109 -4.383 546 H ASP 80 H ASP 80 6.008 -10.682 -2.761 547 HA ASP 80 HA ASP 80 7.031 -13.369 -2.324 548 HB2 ASP 80 1HB ASP 80 7.527 -11.765 -4.426 549 HB3 ASP 80 2HB ASP 80 8.728 -11.089 -3.344 550 H GLY 81 H GLY 81 6.148 -11.552 -0.150 551 HA2 GLY 81 1HA GLY 81 8.512 -11.601 1.468 552 HA3 GLY 81 2HA GLY 81 8.047 -9.971 1.023 553 H THR 82 H THR 82 8.008 -10.755 3.714 554 HA THR 82 HA THR 82 5.253 -11.445 4.349 555 HB THR 82 HB THR 82 6.189 -11.550 6.666 556 HG1 THR 82 1HG THR 82 8.464 -10.942 6.839 557 HG21 THR 82 1HG2 THR 82 7.360 -13.038 4.384 558 HG22 THR 82 2HG2 THR 82 8.461 -12.922 5.778 559 HG23 THR 82 3HG2 THR 82 6.846 -13.643 5.977 560 H MET 83 H MET 83 4.026 -10.146 5.949 561 HA MET 83 HA MET 83 3.474 -7.704 5.040 562 HB2 MET 83 1HB MET 83 2.434 -9.214 6.970 563 HB3 MET 83 2HB MET 83 3.441 -8.258 8.039 564 HG2 MET 83 1HG MET 83 1.191 -7.255 7.890 565 HG3 MET 83 2HG MET 83 2.373 -6.164 7.193 566 HE1 MET 83 1HE MET 83 0.781 -4.788 5.717 567 HE2 MET 83 2HE MET 83 2.304 -5.253 4.922 568 HE3 MET 83 3HE MET 83 0.773 -5.312 4.016 569 H GLU 84 H GLU 84 5.965 -8.538 7.510 570 HA GLU 84 HA GLU 84 6.562 -5.905 8.174 571 HB2 GLU 84 1HB GLU 84 7.310 -8.409 9.079 572 HB3 GLU 84 2HB GLU 84 8.794 -7.860 8.326 573 HG2 GLU 84 1HG GLU 84 7.205 -6.381 10.474 574 HG3 GLU 84 2HG GLU 84 8.752 -7.174 10.692 575 H GLU 85 H GLU 85 7.848 -8.163 5.680 576 HA GLU 85 HA GLU 85 10.001 -6.650 4.901 577 HB2 GLU 85 1HB GLU 85 8.259 -8.718 3.570 578 HB3 GLU 85 2HB GLU 85 9.406 -7.842 2.575 579 HG2 GLU 85 1HG GLU 85 10.667 -8.701 5.075 580 HG3 GLU 85 2HG GLU 85 9.945 -10.069 4.252 581 H ALA 86 H ALA 86 6.535 -6.471 3.956 582 HA ALA 86 HA ALA 86 6.873 -4.647 1.857 583 HB1 ALA 86 1HB ALA 86 4.628 -5.593 3.618 584 HB2 ALA 86 2HB ALA 86 4.370 -4.151 2.606 585 HB3 ALA 86 3HB ALA 86 4.811 -5.701 1.850 586 H ASN 87 H ASN 87 5.980 -4.171 5.348 587 HA ASN 87 HA ASN 87 5.808 -1.448 5.235 588 HB2 ASN 87 1HB ASN 87 6.343 -3.494 7.372 589 HB3 ASN 87 2HB ASN 87 6.761 -1.842 7.783 590 HD21 ASN 87 1HD2 ASN 87 4.244 -4.101 7.081 591 HD22 ASN 87 2HD2 ASN 87 2.879 -3.108 7.470 592 H GLN 88 H GLN 88 8.615 -3.661 5.751 593 HA GLN 88 HA GLN 88 10.431 -1.637 6.400 594 HB2 GLN 88 1HB GLN 88 10.869 -3.953 7.009 595 HB3 GLN 88 2HB GLN 88 10.811 -4.466 5.334 596 HG2 GLN 88 1HG GLN 88 13.067 -4.178 5.307 597 HG3 GLN 88 2HG GLN 88 12.743 -2.456 5.266 598 HE21 GLN 88 1HE2 GLN 88 13.526 -1.243 6.815 599 HE22 GLN 88 2HE2 GLN 88 14.101 -1.766 8.363 600 H LEU 89 H LEU 89 9.559 -3.310 3.318 601 HA LEU 89 HA LEU 89 11.511 -2.249 1.703 602 HB2 LEU 89 1HB LEU 89 8.693 -3.165 1.244 603 HB3 LEU 89 2HB LEU 89 9.616 -2.465 -0.072 604 HG LEU 89 HG LEU 89 10.673 -4.786 1.546 605 HD11 LEU 89 1HD1 LEU 89 8.697 -4.807 -0.719 606 HD12 LEU 89 2HD1 LEU 89 9.850 -6.146 -0.508 607 HD13 LEU 89 3HD1 LEU 89 8.703 -5.745 0.793 608 HD21 LEU 89 1HD2 LEU 89 11.279 -4.108 -1.328 609 HD22 LEU 89 2HD2 LEU 89 12.148 -3.337 0.021 610 HD23 LEU 89 3HD2 LEU 89 12.211 -5.104 -0.183 611 H LEU 90 H LEU 90 8.598 -0.748 3.082 612 HA LEU 90 HA LEU 90 8.740 1.531 1.360 613 HB2 LEU 90 1HB LEU 90 7.027 0.519 3.524 614 HB3 LEU 90 2HB LEU 90 7.198 2.263 3.498 615 HG LEU 90 HG LEU 90 6.096 0.469 1.333 616 HD11 LEU 90 1HD1 LEU 90 4.984 2.490 3.228 617 HD12 LEU 90 2HD1 LEU 90 4.251 2.350 1.612 618 HD13 LEU 90 3HD1 LEU 90 4.317 0.932 2.686 619 HD21 LEU 90 1HD2 LEU 90 5.761 2.915 0.264 620 HD22 LEU 90 2HD2 LEU 90 7.320 3.159 1.086 621 HD23 LEU 90 3HD2 LEU 90 7.140 1.856 -0.113 622 H ARG 91 H ARG 91 9.920 0.592 4.609 623 HA ARG 91 HA ARG 91 10.599 3.072 5.509 624 HB2 ARG 91 1HB ARG 91 11.016 0.381 6.297 625 HB3 ARG 91 2HB ARG 91 12.631 1.054 6.194 626 HG2 ARG 91 1HG ARG 91 11.422 3.106 7.500 627 HG3 ARG 91 2HG ARG 91 10.369 1.807 8.025 628 HD2 ARG 91 1HD ARG 91 11.980 0.875 9.367 629 HD3 ARG 91 2HD ARG 91 13.241 1.088 8.168 630 HE ARG 91 HE ARG 91 12.454 3.645 9.274 631 HH11 ARG 91 2HH2 ARG 91 14.328 0.756 9.998 632 HH12 ARG 91 1HH2 ARG 91 15.395 1.568 11.095 633 HH21 ARG 91 2HH1 ARG 91 13.861 4.717 10.720 634 HH22 ARG 91 1HH1 ARG 91 15.128 3.836 11.508 635 H ASP 92 H ASP 92 12.816 0.641 3.928 636 HA ASP 92 HA ASP 92 14.982 2.250 3.713 637 HB2 ASP 92 1HB ASP 92 14.728 -0.239 3.128 638 HB3 ASP 92 2HB ASP 92 14.076 0.263 1.581 639 H ALA 93 H ALA 93 12.072 1.949 1.612 640 HA ALA 93 HA ALA 93 12.999 3.443 -0.555 641 HB1 ALA 93 1HB ALA 93 10.677 3.522 -1.199 642 HB2 ALA 93 2HB ALA 93 10.964 1.942 -0.431 643 HB3 ALA 93 3HB ALA 93 10.145 3.236 0.476 644 H ALA 94 H ALA 94 11.263 4.380 2.477 645 HA ALA 94 HA ALA 94 10.878 7.046 1.866 646 HB1 ALA 94 1HB ALA 94 11.217 5.451 4.407 647 HB2 ALA 94 2HB ALA 94 11.058 7.222 4.478 648 HB3 ALA 94 3HB ALA 94 9.761 6.240 3.756 649 H LEU 95 H LEU 95 13.774 5.280 3.006 650 HA LEU 95 HA LEU 95 15.247 7.621 3.621 651 HB2 LEU 95 1HB LEU 95 16.299 4.871 2.961 652 HB3 LEU 95 2HB LEU 95 17.115 6.139 3.855 653 HG LEU 95 HG LEU 95 14.558 4.840 4.819 654 HD11 LEU 95 1HD1 LEU 95 15.639 3.073 5.654 655 HD12 LEU 95 2HD1 LEU 95 16.932 3.486 4.502 656 HD13 LEU 95 3HD1 LEU 95 17.027 4.053 6.187 657 HD21 LEU 95 1HD2 LEU 95 14.790 6.839 5.974 658 HD22 LEU 95 2HD2 LEU 95 15.578 5.663 7.053 659 HD23 LEU 95 3HD2 LEU 95 16.566 6.728 6.024 660 H ALA 96 H ALA 96 14.275 6.069 0.676 661 HA ALA 96 HA ALA 96 16.513 7.110 -0.833 662 HB1 ALA 96 1HB ALA 96 14.338 5.167 -1.186 663 HB2 ALA 96 2HB ALA 96 14.576 6.203 -2.614 664 HB3 ALA 96 3HB ALA 96 15.934 5.248 -1.971 665 H HIS 97 H HIS 97 13.615 8.300 0.501 666 HA HIS 97 HA HIS 97 12.575 10.223 0.283 667 HB2 HIS 97 1HB HIS 97 15.086 10.730 -1.146 668 HB3 HIS 97 2HB HIS 97 13.763 11.729 -1.716 669 HD1 HIS 97 1HD HIS 97 12.935 13.616 -0.186 670 HD2 HIS 97 2HD HIS 97 15.782 11.125 1.627 671 HE1 HIS 97 1HE HIS 97 13.614 14.769 1.986 672 H LYS 98 H LYS 98 12.555 7.760 -1.801 673 HA LYS 98 HA LYS 98 10.281 8.819 -3.209 674 HB2 LYS 98 1HB LYS 98 12.486 9.346 -4.532 675 HB3 LYS 98 2HB LYS 98 12.435 7.644 -4.945 676 HG2 LYS 98 1HG LYS 98 9.779 8.517 -5.333 677 HG3 LYS 98 2HG LYS 98 10.752 9.848 -5.927 678 HD2 LYS 98 1HD LYS 98 10.787 8.597 -7.857 679 HD3 LYS 98 2HD LYS 98 12.128 7.796 -7.062 680 HE2 LYS 98 1HE LYS 98 9.639 6.612 -6.137 681 HE3 LYS 98 2HE LYS 98 9.638 6.643 -7.889 682 HZ1 LYS 98 1HZ LYS 98 10.906 4.833 -6.385 683 HZ2 LYS 98 2HZ LYS 98 11.246 5.138 -7.953 684 HZ3 LYS 98 3HZ LYS 98 12.133 5.838 -6.774 685 H VAL 99 H VAL 99 9.021 7.078 -4.249 686 HA VAL 99 HA VAL 99 9.870 4.381 -3.752 687 HB VAL 99 HB VAL 99 9.048 5.138 -1.542 688 HG11 VAL 99 1HG1 VAL 99 6.260 5.098 -1.865 689 HG12 VAL 99 2HG1 VAL 99 7.279 6.499 -1.455 690 HG13 VAL 99 3HG1 VAL 99 6.864 6.168 -3.154 691 HG21 VAL 99 1HG2 VAL 99 7.122 3.276 -1.505 692 HG22 VAL 99 2HG2 VAL 99 7.828 2.902 -3.096 693 HG23 VAL 99 3HG2 VAL 99 8.849 2.865 -1.639 694 H VAL 100 H VAL 100 8.550 2.845 -4.903 695 HA VAL 100 HA VAL 100 6.702 4.158 -6.776 696 HB VAL 100 HB VAL 100 8.620 1.858 -7.183 697 HG11 VAL 100 1HG1 VAL 100 7.375 2.725 -9.620 698 HG12 VAL 100 2HG1 VAL 100 7.367 1.112 -8.868 699 HG13 VAL 100 3HG1 VAL 100 6.110 2.299 -8.443 700 HG21 VAL 100 1HG2 VAL 100 9.981 3.280 -8.300 701 HG22 VAL 100 2HG2 VAL 100 8.626 4.207 -8.989 702 HG23 VAL 100 3HG2 VAL 100 9.159 4.518 -7.319 703 H LEU 101 H LEU 101 4.621 3.470 -6.708 704 HA LEU 101 HA LEU 101 4.143 0.936 -5.298 705 HB2 LEU 101 1HB LEU 101 2.123 3.142 -5.478 706 HB3 LEU 101 2HB LEU 101 2.224 1.817 -4.335 707 HG LEU 101 HG LEU 101 2.746 3.871 -3.208 708 HD11 LEU 101 1HD1 LEU 101 4.556 3.143 -2.024 709 HD12 LEU 101 2HD1 LEU 101 4.171 1.655 -2.921 710 HD13 LEU 101 3HD1 LEU 101 5.486 2.716 -3.481 711 HD21 LEU 101 1HD2 LEU 101 5.233 4.468 -4.688 712 HD22 LEU 101 2HD2 LEU 101 3.719 4.788 -5.567 713 HD23 LEU 101 3HD2 LEU 101 4.012 5.559 -3.989 714 H GLU 102 H GLU 102 2.716 -0.559 -6.225 715 HA GLU 102 HA GLU 102 1.808 0.194 -8.893 716 HB2 GLU 102 1HB GLU 102 3.726 -1.355 -9.041 717 HB3 GLU 102 2HB GLU 102 2.922 -2.495 -7.980 718 HG2 GLU 102 1HG GLU 102 1.589 -3.305 -9.654 719 HG3 GLU 102 2HG GLU 102 1.236 -1.705 -10.277 720 H VAL 103 H VAL 103 -0.393 0.305 -8.906 721 HA VAL 103 HA VAL 103 -1.833 -1.403 -7.017 722 HB VAL 103 HB VAL 103 -3.075 0.792 -8.630 723 HG11 VAL 103 1HG1 VAL 103 -3.561 -0.529 -5.961 724 HG12 VAL 103 2HG1 VAL 103 -4.265 1.060 -6.344 725 HG13 VAL 103 3HG1 VAL 103 -4.662 -0.354 -7.349 726 HG21 VAL 103 1HG2 VAL 103 -1.100 1.125 -6.387 727 HG22 VAL 103 2HG2 VAL 103 -1.292 2.071 -7.883 728 HG23 VAL 103 3HG2 VAL 103 -2.456 2.266 -6.551 729 H GLU 104 H GLU 104 -3.689 -2.638 -7.745 730 HA GLU 104 HA GLU 104 -3.426 -3.304 -10.571 731 HB2 GLU 104 1HB GLU 104 -2.870 -5.103 -8.869 732 HB3 GLU 104 2HB GLU 104 -4.539 -5.056 -8.337 733 HG2 GLU 104 1HG GLU 104 -5.297 -5.638 -10.648 734 HG3 GLU 104 2HG GLU 104 -3.630 -5.671 -11.190 735 H PHE 105 H PHE 105 -5.350 -3.582 -11.848 736 HA PHE 105 HA PHE 105 -7.924 -3.499 -10.853 737 HB2 PHE 105 1HB PHE 105 -8.430 -1.066 -11.521 738 HB3 PHE 105 2HB PHE 105 -7.416 -1.212 -10.099 739 HD1 PHE 105 2HD PHE 105 -7.241 -0.685 -13.775 740 HD2 PHE 105 1HD PHE 105 -5.344 -0.140 -10.019 741 HE1 PHE 105 2HE PHE 105 -5.506 0.768 -14.862 742 HE2 PHE 105 1HE PHE 105 -3.609 1.312 -11.106 743 HZ PHE 105 HZ PHE 105 -3.711 1.748 -13.514 744 H ASP 106 H ASP 106 -9.560 -3.236 -12.605 745 HA ASP 106 HA ASP 106 -8.318 -3.949 -15.120 746 HB2 ASP 106 1HB ASP 106 -10.864 -4.440 -15.657 747 HB3 ASP 106 2HB ASP 106 -9.950 -5.554 -14.659 748 H SER 107 H SER 107 -7.801 -1.880 -16.041 749 HA SER 107 HA SER 107 -9.234 0.397 -15.804 750 HB2 SER 107 1HB SER 107 -6.998 0.282 -16.825 751 HB3 SER 107 2HB SER 107 -7.632 -0.600 -18.200 752 HG SER 107 HG SER 107 -7.349 1.980 -18.106 753 H GLY 108 H GLY 108 -11.357 0.826 -16.273 754 HA2 GLY 108 1HA GLY 108 -12.811 1.147 -18.263 755 HA3 GLY 108 2HA GLY 108 -12.537 -0.548 -18.614 756 HA PRO 109 HA PRO 109 -15.975 0.081 -15.492 757 HB2 PRO 109 1HB PRO 109 -18.189 0.560 -17.020 758 HB3 PRO 109 2HB PRO 109 -17.292 1.828 -16.210 759 HG2 PRO 109 1HG PRO 109 -17.322 1.122 -19.081 760 HG3 PRO 109 2HG PRO 109 -16.789 2.609 -18.322 761 HD2 PRO 109 1HD PRO 109 -15.122 0.514 -19.352 762 HD3 PRO 109 2HD PRO 109 -14.594 1.945 -18.490 763 H SER 110 H SER 110 -17.776 -1.376 -14.957 764 HA SER 110 HA SER 110 -18.031 -3.508 -16.866 765 HB2 SER 110 1HB SER 110 -17.439 -5.261 -15.194 766 HB3 SER 110 2HB SER 110 -16.072 -4.244 -15.601 767 HG SER 110 HG SER 110 -16.753 -4.771 -13.192 768 H SER 111 H SER 111 -19.942 -4.830 -16.458 769 HA SER 111 HA SER 111 -22.024 -5.085 -15.893 770 HB2 SER 111 1HB SER 111 -20.518 -5.104 -13.453 771 HB3 SER 111 2HB SER 111 -22.031 -4.289 -13.109 772 HG SER 111 HG SER 111 -22.008 -6.704 -12.884 773 H GLY 112 H GLY 112 -22.839 -3.308 -17.175 774 HA2 GLY 112 1HA GLY 112 -24.309 -1.572 -17.322 775 HA3 GLY 112 2HA GLY 112 -24.148 -1.269 -15.603 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -5.776 -21.549 -34.256 2 HA2 GLY 1 1HA GLY 1 -8.412 -21.434 -33.404 3 HA3 GLY 1 2HA GLY 1 -8.079 -23.121 -33.740 4 H SER 2 H SER 2 -6.467 -24.275 -32.508 5 HA SER 2 HA SER 2 -5.979 -22.975 -29.969 6 HB2 SER 2 1HB SER 2 -6.536 -25.706 -30.853 7 HB3 SER 2 2HB SER 2 -5.097 -25.666 -29.853 8 HG SER 2 HG SER 2 -7.169 -25.928 -28.673 9 H SER 3 H SER 3 -3.774 -23.583 -28.889 10 HA SER 3 HA SER 3 -1.611 -23.427 -28.871 11 HB2 SER 3 1HB SER 3 -1.801 -24.843 -31.564 12 HB3 SER 3 2HB SER 3 -0.291 -24.575 -30.717 13 HG SER 3 HG SER 3 -0.771 -26.111 -29.262 14 H GLY 4 H GLY 4 -0.743 -21.390 -28.973 15 HA2 GLY 4 1HA GLY 4 -1.222 -19.738 -31.314 16 HA3 GLY 4 2HA GLY 4 -0.503 -19.259 -29.790 17 H SER 5 H SER 5 0.095 -20.175 -33.062 18 HA SER 5 HA SER 5 2.608 -21.287 -32.842 19 HB2 SER 5 1HB SER 5 0.874 -20.281 -34.926 20 HB3 SER 5 2HB SER 5 2.495 -19.684 -35.221 21 HG SER 5 HG SER 5 1.579 -22.095 -35.814 22 H SER 6 H SER 6 4.691 -20.127 -33.733 23 HA SER 6 HA SER 6 5.477 -18.258 -31.960 24 HB2 SER 6 1HB SER 6 6.462 -19.331 -34.514 25 HB3 SER 6 2HB SER 6 6.980 -17.675 -34.266 26 HG SER 6 HG SER 6 7.349 -19.874 -32.413 27 H GLY 7 H GLY 7 4.524 -16.288 -31.558 28 HA2 GLY 7 1HA GLY 7 4.570 -13.997 -32.468 29 HA3 GLY 7 2HA GLY 7 3.800 -14.638 -33.906 30 H GLY 8 H GLY 8 3.382 -13.935 -30.425 31 HA2 GLY 8 1HA GLY 8 0.470 -13.868 -30.874 32 HA3 GLY 8 2HA GLY 8 1.131 -14.753 -29.514 33 H GLY 9 H GLY 9 -0.589 -12.786 -28.833 34 HA2 GLY 9 1HA GLY 9 1.065 -10.434 -28.164 35 HA3 GLY 9 2HA GLY 9 -0.684 -10.469 -28.273 36 H GLN 10 H GLN 10 0.883 -9.550 -25.983 37 HA GLN 10 HA GLN 10 0.921 -11.603 -24.055 38 HB2 GLN 10 1HB GLN 10 1.564 -8.732 -24.209 39 HB3 GLN 10 2HB GLN 10 0.858 -9.168 -22.666 40 HG2 GLN 10 1HG GLN 10 2.579 -11.236 -22.872 41 HG3 GLN 10 2HG GLN 10 3.433 -10.115 -23.914 42 HE21 GLN 10 1HE2 GLN 10 2.652 -11.017 -20.733 43 HE22 GLN 10 2HE2 GLN 10 3.435 -9.736 -19.868 44 H ILE 11 H ILE 11 -0.450 -11.744 -22.104 45 HA ILE 11 HA ILE 11 -3.199 -11.387 -22.788 46 HB ILE 11 HB ILE 11 -3.607 -12.463 -20.629 47 HG12 ILE 11 1HG1 ILE 11 -0.765 -13.039 -20.088 48 HG13 ILE 11 2HG1 ILE 11 -1.223 -11.369 -19.822 49 HG21 ILE 11 1HG2 ILE 11 -2.264 -14.596 -21.147 50 HG22 ILE 11 2HG2 ILE 11 -3.379 -13.978 -22.389 51 HG23 ILE 11 3HG2 ILE 11 -1.630 -13.690 -22.542 52 HD11 ILE 11 1HD1 ILE 11 -3.348 -12.560 -18.630 53 HD12 ILE 11 2HD1 ILE 11 -2.135 -13.842 -18.399 54 HD13 ILE 11 3HD1 ILE 11 -1.835 -12.207 -17.761 55 H VAL 12 H VAL 12 -4.741 -10.379 -21.095 56 HA VAL 12 HA VAL 12 -3.650 -8.266 -19.518 57 HB VAL 12 HB VAL 12 -3.519 -7.369 -21.849 58 HG11 VAL 12 1HG1 VAL 12 -5.776 -8.561 -22.447 59 HG12 VAL 12 2HG1 VAL 12 -6.511 -7.069 -21.813 60 HG13 VAL 12 3HG1 VAL 12 -5.377 -6.990 -23.182 61 HG21 VAL 12 1HG2 VAL 12 -4.294 -5.193 -21.263 62 HG22 VAL 12 2HG2 VAL 12 -5.509 -5.851 -20.140 63 HG23 VAL 12 3HG2 VAL 12 -3.776 -5.973 -19.749 64 H HIS 13 H HIS 13 -4.993 -7.984 -17.797 65 HA HIS 13 HA HIS 13 -7.820 -8.489 -18.190 66 HB2 HIS 13 1HB HIS 13 -6.353 -10.574 -17.351 67 HB3 HIS 13 2HB HIS 13 -6.592 -9.789 -15.803 68 HD1 HIS 13 1HD HIS 13 -9.008 -10.374 -18.738 69 HD2 HIS 13 2HD HIS 13 -8.687 -11.054 -14.612 70 HE1 HIS 13 1HE HIS 13 -11.201 -11.463 -18.020 71 H THR 14 H THR 14 -5.371 -7.935 -15.552 72 HA THR 14 HA THR 14 -7.111 -5.786 -14.568 73 HB THR 14 HB THR 14 -4.721 -6.872 -13.069 74 HG1 THR 14 1HG THR 14 -7.352 -8.108 -13.493 75 HG21 THR 14 1HG2 THR 14 -7.610 -6.443 -12.175 76 HG22 THR 14 2HG2 THR 14 -6.162 -6.583 -11.150 77 HG23 THR 14 3HG2 THR 14 -6.409 -5.130 -12.147 78 H GLU 15 H GLU 15 -6.217 -3.730 -13.956 79 HA GLU 15 HA GLU 15 -4.036 -3.058 -15.740 80 HB2 GLU 15 1HB GLU 15 -6.268 -1.504 -14.426 81 HB3 GLU 15 2HB GLU 15 -4.829 -0.645 -14.940 82 HG2 GLU 15 1HG GLU 15 -5.701 -2.491 -17.034 83 HG3 GLU 15 2HG GLU 15 -7.027 -1.448 -16.560 84 H THR 16 H THR 16 -2.370 -1.438 -14.926 85 HA THR 16 HA THR 16 -1.914 -1.733 -12.037 86 HB THR 16 HB THR 16 0.602 -1.923 -12.873 87 HG1 THR 16 1HG THR 16 -1.027 -2.996 -15.063 88 HG21 THR 16 1HG2 THR 16 -0.299 -3.874 -11.783 89 HG22 THR 16 2HG2 THR 16 -1.500 -4.128 -13.072 90 HG23 THR 16 3HG2 THR 16 0.222 -4.448 -13.385 91 H THR 17 H THR 17 -1.040 0.029 -10.982 92 HA THR 17 HA THR 17 -0.519 2.372 -12.684 93 HB THR 17 HB THR 17 -2.847 2.082 -11.313 94 HG1 THR 17 1HG THR 17 -1.004 4.355 -11.527 95 HG21 THR 17 1HG2 THR 17 -2.765 3.144 -9.161 96 HG22 THR 17 2HG2 THR 17 -1.448 1.947 -9.106 97 HG23 THR 17 3HG2 THR 17 -1.079 3.664 -9.396 98 H GLU 18 H GLU 18 1.311 3.476 -12.260 99 HA GLU 18 HA GLU 18 2.858 2.440 -10.040 100 HB2 GLU 18 1HB GLU 18 3.775 2.508 -12.426 101 HB3 GLU 18 2HB GLU 18 3.797 4.256 -12.299 102 HG2 GLU 18 1HG GLU 18 5.266 4.058 -10.255 103 HG3 GLU 18 2HG GLU 18 5.290 2.318 -10.468 104 H VAL 19 H VAL 19 2.802 3.565 -8.147 105 HA VAL 19 HA VAL 19 2.216 6.431 -8.319 106 HB VAL 19 HB VAL 19 1.715 4.279 -6.302 107 HG11 VAL 19 1HG1 VAL 19 2.617 5.682 -4.735 108 HG12 VAL 19 2HG1 VAL 19 2.330 7.143 -5.710 109 HG13 VAL 19 3HG1 VAL 19 0.983 6.381 -4.831 110 HG21 VAL 19 1HG2 VAL 19 -0.200 6.492 -6.737 111 HG22 VAL 19 2HG2 VAL 19 0.130 5.480 -8.164 112 HG23 VAL 19 3HG2 VAL 19 -0.469 4.734 -6.663 113 H VAL 20 H VAL 20 3.706 7.937 -7.669 114 HA VAL 20 HA VAL 20 6.209 6.838 -6.588 115 HB VAL 20 HB VAL 20 5.656 9.196 -8.392 116 HG11 VAL 20 1HG1 VAL 20 7.631 9.087 -6.426 117 HG12 VAL 20 2HG1 VAL 20 8.472 8.607 -7.919 118 HG13 VAL 20 3HG1 VAL 20 7.602 10.158 -7.848 119 HG21 VAL 20 1HG2 VAL 20 6.849 6.472 -8.747 120 HG22 VAL 20 2HG2 VAL 20 5.779 7.404 -9.823 121 HG23 VAL 20 3HG2 VAL 20 7.506 7.820 -9.707 122 H LEU 21 H LEU 21 5.886 7.016 -4.380 123 HA LEU 21 HA LEU 21 4.791 9.510 -3.374 124 HB2 LEU 21 1HB LEU 21 5.073 6.748 -2.426 125 HB3 LEU 21 2HB LEU 21 5.420 7.954 -1.203 126 HG LEU 21 HG LEU 21 3.246 8.866 -1.302 127 HD11 LEU 21 1HD1 LEU 21 1.666 7.616 -3.128 128 HD12 LEU 21 2HD1 LEU 21 2.459 9.189 -3.382 129 HD13 LEU 21 3HD1 LEU 21 3.207 7.703 -4.014 130 HD21 LEU 21 1HD2 LEU 21 1.795 6.630 -1.302 131 HD22 LEU 21 2HD2 LEU 21 3.414 5.892 -1.261 132 HD23 LEU 21 3HD2 LEU 21 2.925 7.038 0.011 133 H CYS 22 H CYS 22 5.978 11.114 -2.420 134 HA CYS 22 HA CYS 22 8.831 10.531 -2.087 135 HB2 CYS 22 1HB CYS 22 8.523 11.980 -4.021 136 HB3 CYS 22 2HB CYS 22 7.550 13.096 -3.084 137 HG CYS 22 HG CYS 22 10.717 12.630 -3.309 138 H GLY 23 H GLY 23 9.855 11.703 -0.269 139 HA2 GLY 23 1HA GLY 23 8.481 13.400 1.478 140 HA3 GLY 23 2HA GLY 23 8.263 11.758 2.052 141 H ASP 24 H ASP 24 9.543 12.694 3.948 142 HA ASP 24 HA ASP 24 12.381 12.732 3.308 143 HB2 ASP 24 1HB ASP 24 10.655 14.178 5.214 144 HB3 ASP 24 2HB ASP 24 12.053 13.479 6.005 145 HA PRO 25 HA PRO 25 12.896 9.157 5.799 146 HB2 PRO 25 1HB PRO 25 15.239 9.568 7.145 147 HB3 PRO 25 2HB PRO 25 15.173 9.079 5.464 148 HG2 PRO 25 1HG PRO 25 15.812 11.733 6.598 149 HG3 PRO 25 2HG PRO 25 16.147 11.116 4.992 150 HD2 PRO 25 1HD PRO 25 14.072 12.955 5.725 151 HD3 PRO 25 2HD PRO 25 14.335 12.248 4.144 152 H LEU 26 H LEU 26 12.459 12.120 7.332 153 HA LEU 26 HA LEU 26 12.087 10.767 9.900 154 HB2 LEU 26 1HB LEU 26 12.951 13.424 9.052 155 HB3 LEU 26 2HB LEU 26 11.706 13.480 10.283 156 HG LEU 26 HG LEU 26 14.260 11.874 10.551 157 HD11 LEU 26 1HD1 LEU 26 14.050 14.656 10.537 158 HD12 LEU 26 2HD1 LEU 26 14.084 14.212 12.260 159 HD13 LEU 26 3HD1 LEU 26 15.393 13.680 11.179 160 HD21 LEU 26 1HD2 LEU 26 13.699 11.671 12.873 161 HD22 LEU 26 2HD2 LEU 26 12.286 12.737 12.679 162 HD23 LEU 26 3HD2 LEU 26 12.303 11.132 11.908 163 H SER 27 H SER 27 10.458 13.043 7.593 164 HA SER 27 HA SER 27 8.019 12.864 8.983 165 HB2 SER 27 1HB SER 27 8.622 13.790 6.139 166 HB3 SER 27 2HB SER 27 7.099 14.042 6.967 167 HG SER 27 HG SER 27 8.336 15.231 8.638 168 H GLY 28 H GLY 28 9.614 11.044 6.385 169 HA2 GLY 28 1HA GLY 28 9.098 8.999 5.554 170 HA3 GLY 28 2HA GLY 28 7.672 8.941 6.571 171 H PHE 29 H PHE 29 6.114 8.315 5.066 172 HA PHE 29 HA PHE 29 5.773 10.151 2.799 173 HB2 PHE 29 1HB PHE 29 5.281 7.157 3.249 174 HB3 PHE 29 2HB PHE 29 4.518 7.995 1.912 175 HD1 PHE 29 1HD PHE 29 6.709 9.795 1.044 176 HD2 PHE 29 2HD PHE 29 6.801 5.721 2.226 177 HE1 PHE 29 1HE PHE 29 8.762 9.436 -0.354 178 HE2 PHE 29 2HE PHE 29 8.854 5.362 0.828 179 HZ PHE 29 HZ PHE 29 9.810 7.223 -0.446 180 H GLY 30 H GLY 30 3.502 7.591 3.783 181 HA2 GLY 30 1HA GLY 30 1.813 8.539 5.547 182 HA3 GLY 30 2HA GLY 30 1.469 9.651 4.237 183 H LEU 31 H LEU 31 1.976 6.077 4.724 184 HA LEU 31 HA LEU 31 -0.585 5.565 3.531 185 HB2 LEU 31 1HB LEU 31 0.006 4.663 1.557 186 HB3 LEU 31 2HB LEU 31 1.265 5.875 1.687 187 HG LEU 31 HG LEU 31 2.424 3.694 2.924 188 HD11 LEU 31 1HD1 LEU 31 1.367 2.458 0.434 189 HD12 LEU 31 2HD1 LEU 31 1.863 1.714 1.974 190 HD13 LEU 31 3HD1 LEU 31 0.279 2.515 1.842 191 HD21 LEU 31 1HD2 LEU 31 2.600 4.636 0.051 192 HD22 LEU 31 2HD2 LEU 31 3.595 5.158 1.432 193 HD23 LEU 31 3HD2 LEU 31 3.738 3.496 0.809 194 H GLN 32 H GLN 32 -1.443 3.635 4.280 195 HA GLN 32 HA GLN 32 0.407 2.065 5.902 196 HB2 GLN 32 1HB GLN 32 -2.310 3.163 6.503 197 HB3 GLN 32 2HB GLN 32 -2.003 1.533 7.067 198 HG2 GLN 32 1HG GLN 32 0.165 3.548 7.574 199 HG3 GLN 32 2HG GLN 32 -1.316 3.751 8.490 200 HE21 GLN 32 1HE2 GLN 32 -1.971 2.218 9.964 201 HE22 GLN 32 2HE2 GLN 32 -0.940 0.963 10.564 202 H LEU 33 H LEU 33 0.594 -0.065 5.325 203 HA LEU 33 HA LEU 33 -1.164 -1.017 3.232 204 HB2 LEU 33 1HB LEU 33 1.389 -2.030 4.468 205 HB3 LEU 33 2HB LEU 33 0.448 -2.992 3.345 206 HG LEU 33 HG LEU 33 1.841 -0.363 2.810 207 HD11 LEU 33 1HD1 LEU 33 2.205 -2.809 1.143 208 HD12 LEU 33 2HD1 LEU 33 3.361 -1.527 1.577 209 HD13 LEU 33 3HD1 LEU 33 2.938 -2.784 2.765 210 HD21 LEU 33 1HD2 LEU 33 -0.471 -1.568 1.437 211 HD22 LEU 33 2HD2 LEU 33 0.143 0.103 1.420 212 HD23 LEU 33 3HD2 LEU 33 0.887 -1.129 0.373 213 H GLN 34 H GLN 34 -2.103 -3.257 3.391 214 HA GLN 34 HA GLN 34 -2.634 -4.021 6.131 215 HB2 GLN 34 1HB GLN 34 -4.618 -2.857 5.926 216 HB3 GLN 34 2HB GLN 34 -4.638 -2.970 4.177 217 HG2 GLN 34 1HG GLN 34 -5.603 -5.118 4.182 218 HG3 GLN 34 2HG GLN 34 -4.989 -5.509 5.776 219 HE21 GLN 34 1HE2 GLN 34 -7.495 -4.034 3.925 220 HE22 GLN 34 2HE2 GLN 34 -8.599 -3.669 5.210 221 H GLY 35 H GLY 35 -1.958 -6.117 6.224 222 HA2 GLY 35 1HA GLY 35 -2.819 -7.923 4.064 223 HA3 GLY 35 2HA GLY 35 -1.126 -7.850 4.511 224 H GLY 36 H GLY 36 -1.264 -10.131 5.144 225 HA2 GLY 36 1HA GLY 36 -2.978 -11.340 6.849 226 HA3 GLY 36 2HA GLY 36 -1.257 -11.666 6.802 227 H ILE 37 H ILE 37 -3.335 -11.493 9.077 228 HA ILE 37 HA ILE 37 -2.873 -9.241 10.617 229 HB ILE 37 HB ILE 37 -3.599 -12.079 11.321 230 HG12 ILE 37 1HG1 ILE 37 -5.334 -9.603 11.343 231 HG13 ILE 37 2HG1 ILE 37 -5.135 -10.596 9.912 232 HG21 ILE 37 1HG2 ILE 37 -3.012 -11.593 13.424 233 HG22 ILE 37 2HG2 ILE 37 -2.867 -9.851 13.088 234 HG23 ILE 37 3HG2 ILE 37 -4.462 -10.561 13.434 235 HD11 ILE 37 1HD1 ILE 37 -7.037 -11.038 11.847 236 HD12 ILE 37 2HD1 ILE 37 -6.420 -12.297 10.750 237 HD13 ILE 37 3HD1 ILE 37 -5.742 -12.133 12.387 238 H PHE 38 H PHE 38 -0.979 -12.257 10.206 239 HA PHE 38 HA PHE 38 0.874 -11.424 12.259 240 HB2 PHE 38 1HB PHE 38 0.570 -13.749 10.281 241 HB3 PHE 38 2HB PHE 38 2.004 -13.606 11.278 242 HD1 PHE 38 2HD PHE 38 -1.707 -13.776 11.540 243 HD2 PHE 38 1HD PHE 38 2.026 -14.548 13.403 244 HE1 PHE 38 2HE PHE 38 -2.886 -14.971 13.406 245 HE2 PHE 38 1HE PHE 38 0.848 -15.743 15.269 246 HZ PHE 38 HZ PHE 38 -1.594 -15.940 15.249 247 H ALA 39 H ALA 39 3.176 -11.096 11.859 248 HA ALA 39 HA ALA 39 3.598 -9.836 9.260 249 HB1 ALA 39 1HB ALA 39 5.391 -9.733 11.706 250 HB2 ALA 39 2HB ALA 39 5.322 -8.596 10.338 251 HB3 ALA 39 3HB ALA 39 3.984 -8.662 11.510 252 H THR 40 H THR 40 4.765 -12.441 11.427 253 HA THR 40 HA THR 40 6.918 -13.112 9.616 254 HB THR 40 HB THR 40 7.537 -14.644 11.367 255 HG1 THR 40 1HG THR 40 4.835 -14.159 12.393 256 HG21 THR 40 1HG2 THR 40 5.951 -12.603 12.977 257 HG22 THR 40 2HG2 THR 40 7.518 -13.347 13.374 258 HG23 THR 40 3HG2 THR 40 7.416 -12.117 12.092 259 H GLU 41 H GLU 41 5.655 -13.429 7.665 260 HA GLU 41 HA GLU 41 5.255 -16.051 7.117 261 HB2 GLU 41 1HB GLU 41 2.695 -16.099 6.898 262 HB3 GLU 41 2HB GLU 41 3.343 -16.242 8.520 263 HG2 GLU 41 1HG GLU 41 2.515 -14.199 9.183 264 HG3 GLU 41 2HG GLU 41 2.865 -13.437 7.644 265 H THR 42 H THR 42 5.506 -16.131 4.921 266 HA THR 42 HA THR 42 5.737 -13.924 3.339 267 HB THR 42 HB THR 42 4.797 -16.715 2.495 268 HG1 THR 42 1HG THR 42 6.896 -17.264 3.032 269 HG21 THR 42 1HG2 THR 42 6.206 -14.399 1.130 270 HG22 THR 42 2HG2 THR 42 6.617 -16.067 0.665 271 HG23 THR 42 3HG2 THR 42 4.948 -15.478 0.481 272 H LEU 43 H LEU 43 4.441 -13.072 1.551 273 HA LEU 43 HA LEU 43 1.629 -12.991 2.365 274 HB2 LEU 43 1HB LEU 43 3.449 -11.052 0.969 275 HB3 LEU 43 2HB LEU 43 1.708 -10.917 0.817 276 HG LEU 43 HG LEU 43 3.327 -10.750 3.372 277 HD11 LEU 43 1HD1 LEU 43 2.082 -8.760 1.541 278 HD12 LEU 43 2HD1 LEU 43 1.983 -8.446 3.290 279 HD13 LEU 43 3HD1 LEU 43 3.570 -8.662 2.513 280 HD21 LEU 43 1HD2 LEU 43 1.513 -11.507 4.424 281 HD22 LEU 43 2HD2 LEU 43 0.752 -9.958 3.988 282 HD23 LEU 43 3HD2 LEU 43 0.507 -11.390 2.960 283 H SER 44 H SER 44 0.199 -14.139 1.191 284 HA SER 44 HA SER 44 1.095 -15.157 -1.342 285 HB2 SER 44 1HB SER 44 -1.085 -15.796 0.611 286 HB3 SER 44 2HB SER 44 -1.420 -16.164 -1.069 287 HG SER 44 HG SER 44 0.807 -17.118 0.516 288 H SER 45 H SER 45 -0.784 -12.536 -0.055 289 HA SER 45 HA SER 45 -1.718 -11.983 -2.751 290 HB2 SER 45 1HB SER 45 -3.860 -11.121 -1.847 291 HB3 SER 45 2HB SER 45 -3.658 -12.828 -1.501 292 HG SER 45 HG SER 45 -3.473 -12.433 0.631 293 HA PRO 46 HA PRO 46 -0.166 -8.012 -1.879 294 HB2 PRO 46 1HB PRO 46 -1.670 -6.399 -3.492 295 HB3 PRO 46 2HB PRO 46 -0.326 -7.358 -4.080 296 HG2 PRO 46 1HG PRO 46 -3.225 -7.834 -4.406 297 HG3 PRO 46 2HG PRO 46 -1.892 -8.514 -5.318 298 HD2 PRO 46 1HD PRO 46 -3.418 -9.826 -3.274 299 HD3 PRO 46 2HD PRO 46 -2.013 -10.463 -4.104 300 HA PRO 47 HA PRO 47 -2.499 -6.326 1.261 301 HB2 PRO 47 1HB PRO 47 -0.767 -4.396 2.122 302 HB3 PRO 47 2HB PRO 47 -0.662 -6.071 2.626 303 HG2 PRO 47 1HG PRO 47 1.037 -4.605 0.701 304 HG3 PRO 47 2HG PRO 47 1.366 -6.114 1.528 305 HD2 PRO 47 1HD PRO 47 0.572 -5.795 -1.209 306 HD3 PRO 47 2HD PRO 47 0.789 -7.307 -0.350 307 H LEU 48 H LEU 48 -3.976 -4.699 1.720 308 HA LEU 48 HA LEU 48 -4.198 -2.860 -0.531 309 HB2 LEU 48 1HB LEU 48 -6.243 -3.215 1.631 310 HB3 LEU 48 2HB LEU 48 -6.458 -2.676 -0.023 311 HG LEU 48 HG LEU 48 -5.419 -5.413 0.152 312 HD11 LEU 48 1HD1 LEU 48 -8.023 -4.718 1.513 313 HD12 LEU 48 2HD1 LEU 48 -7.702 -6.328 0.825 314 HD13 LEU 48 3HD1 LEU 48 -6.666 -5.693 2.126 315 HD21 LEU 48 1HD2 LEU 48 -6.188 -4.532 -1.938 316 HD22 LEU 48 2HD2 LEU 48 -7.316 -5.810 -1.425 317 HD23 LEU 48 3HD2 LEU 48 -7.766 -4.098 -1.238 318 H VAL 49 H VAL 49 -5.027 -0.578 0.071 319 HA VAL 49 HA VAL 49 -3.091 0.527 1.855 320 HB VAL 49 HB VAL 49 -5.284 1.615 0.105 321 HG11 VAL 49 1HG1 VAL 49 -3.680 3.771 0.971 322 HG12 VAL 49 2HG1 VAL 49 -5.403 3.485 1.315 323 HG13 VAL 49 3HG1 VAL 49 -4.160 2.888 2.440 324 HG21 VAL 49 1HG2 VAL 49 -3.378 0.975 -1.149 325 HG22 VAL 49 2HG2 VAL 49 -3.259 2.741 -0.962 326 HG23 VAL 49 3HG2 VAL 49 -2.258 1.669 0.048 327 H CYS 50 H CYS 50 -3.580 -0.354 3.928 328 HA CYS 50 HA CYS 50 -5.995 -0.555 5.108 329 HB2 CYS 50 1HB CYS 50 -3.611 -1.145 5.976 330 HB3 CYS 50 2HB CYS 50 -3.631 0.458 6.684 331 HG CYS 50 HG CYS 50 -6.472 -0.668 7.156 332 H PHE 51 H PHE 51 -3.737 2.293 5.430 333 HA PHE 51 HA PHE 51 -6.054 4.043 5.363 334 HB2 PHE 51 1HB PHE 51 -5.805 3.722 7.747 335 HB3 PHE 51 2HB PHE 51 -4.062 3.585 7.630 336 HD1 PHE 51 1HD PHE 51 -2.678 5.620 7.334 337 HD2 PHE 51 2HD PHE 51 -6.864 5.854 7.988 338 HE1 PHE 51 1HE PHE 51 -2.445 8.041 7.954 339 HE2 PHE 51 2HE PHE 51 -6.631 8.275 8.609 340 HZ PHE 51 HZ PHE 51 -4.425 9.340 8.584 341 H ILE 52 H ILE 52 -5.284 6.433 5.351 342 HA ILE 52 HA ILE 52 -2.603 6.656 4.214 343 HB ILE 52 HB ILE 52 -5.189 7.205 2.846 344 HG12 ILE 52 1HG1 ILE 52 -2.503 6.445 1.685 345 HG13 ILE 52 2HG1 ILE 52 -3.586 5.258 2.385 346 HG21 ILE 52 1HG2 ILE 52 -3.944 8.793 1.309 347 HG22 ILE 52 2HG2 ILE 52 -4.404 9.431 2.906 348 HG23 ILE 52 3HG2 ILE 52 -2.724 8.934 2.598 349 HD11 ILE 52 1HD1 ILE 52 -3.821 5.585 -0.133 350 HD12 ILE 52 2HD1 ILE 52 -5.333 5.764 0.789 351 HD13 ILE 52 3HD1 ILE 52 -4.466 7.208 0.213 352 H GLU 53 H GLU 53 -1.627 8.715 4.530 353 HA GLU 53 HA GLU 53 -2.809 10.104 6.740 354 HB2 GLU 53 1HB GLU 53 -0.118 9.937 5.460 355 HB3 GLU 53 2HB GLU 53 -0.504 11.481 6.192 356 HG2 GLU 53 1HG GLU 53 -1.387 9.730 8.146 357 HG3 GLU 53 2HG GLU 53 -0.032 8.839 7.483 358 HA PRO 54 HA PRO 54 -4.399 13.314 4.275 359 HB2 PRO 54 1HB PRO 54 -4.933 15.167 6.211 360 HB3 PRO 54 2HB PRO 54 -5.998 13.823 5.851 361 HG2 PRO 54 1HG PRO 54 -4.168 14.174 8.145 362 HG3 PRO 54 2HG PRO 54 -5.524 13.076 7.981 363 HD2 PRO 54 1HD PRO 54 -2.741 12.410 7.774 364 HD3 PRO 54 2HD PRO 54 -4.099 11.338 7.495 365 H ASP 55 H ASP 55 -3.616 14.818 2.917 366 HA ASP 55 HA ASP 55 -2.367 16.479 2.247 367 HB2 ASP 55 1HB ASP 55 -2.499 17.072 4.927 368 HB3 ASP 55 2HB ASP 55 -0.773 16.823 4.757 369 H SER 56 H SER 56 -1.488 13.477 3.177 370 HA SER 56 HA SER 56 1.351 13.754 3.109 371 HB2 SER 56 1HB SER 56 1.368 11.623 3.920 372 HB3 SER 56 2HB SER 56 -0.341 11.894 4.197 373 HG SER 56 HG SER 56 -0.706 10.286 2.844 374 HA PRO 57 HA PRO 57 1.940 12.785 -1.106 375 HB2 PRO 57 1HB PRO 57 3.758 10.748 -1.231 376 HB3 PRO 57 2HB PRO 57 4.204 12.411 -0.905 377 HG2 PRO 57 1HG PRO 57 4.044 10.133 0.972 378 HG3 PRO 57 2HG PRO 57 4.875 11.663 1.171 379 HD2 PRO 57 1HD PRO 57 2.382 10.897 2.365 380 HD3 PRO 57 2HD PRO 57 3.156 12.465 2.470 381 H ALA 58 H ALA 58 1.440 9.760 0.617 382 HA ALA 58 HA ALA 58 0.603 8.289 -1.580 383 HB1 ALA 58 1HB ALA 58 1.015 7.852 1.101 384 HB2 ALA 58 2HB ALA 58 -0.758 7.739 0.992 385 HB3 ALA 58 3HB ALA 58 0.266 6.682 -0.011 386 H GLU 59 H GLU 59 -0.933 10.906 0.185 387 HA GLU 59 HA GLU 59 -3.539 10.170 -0.769 388 HB2 GLU 59 1HB GLU 59 -3.255 11.172 1.485 389 HB3 GLU 59 2HB GLU 59 -2.580 12.623 0.771 390 HG2 GLU 59 1HG GLU 59 -5.078 12.719 1.374 391 HG3 GLU 59 2HG GLU 59 -4.658 13.237 -0.246 392 H ARG 60 H ARG 60 -0.997 12.660 -1.358 393 HA ARG 60 HA ARG 60 -2.405 14.253 -3.055 394 HB2 ARG 60 1HB ARG 60 0.543 13.508 -2.901 395 HB3 ARG 60 2HB ARG 60 -0.021 14.643 -4.111 396 HG2 ARG 60 1HG ARG 60 -1.242 15.704 -1.910 397 HG3 ARG 60 2HG ARG 60 0.143 14.961 -1.134 398 HD2 ARG 60 1HD ARG 60 1.695 16.192 -2.601 399 HD3 ARG 60 2HD ARG 60 0.362 16.831 -3.542 400 HE ARG 60 HE ARG 60 -0.199 17.606 -0.912 401 HH11 ARG 60 2HH2 ARG 60 2.461 18.083 -3.165 402 HH12 ARG 60 1HH2 ARG 60 2.920 19.615 -2.499 403 HH21 ARG 60 2HH1 ARG 60 0.405 19.627 -0.032 404 HH22 ARG 60 1HH1 ARG 60 1.742 20.499 -0.705 405 H CYS 61 H CYS 61 -1.380 10.963 -3.473 406 HA CYS 61 HA CYS 61 -0.939 10.912 -6.222 407 HB2 CYS 61 1HB CYS 61 -1.685 8.850 -4.165 408 HB3 CYS 61 2HB CYS 61 -1.742 8.424 -5.864 409 HG CYS 61 HG CYS 61 0.806 10.212 -5.016 410 H GLY 62 H GLY 62 -3.825 11.196 -4.211 411 HA2 GLY 62 1HA GLY 62 -5.970 11.610 -4.762 412 HA3 GLY 62 2HA GLY 62 -5.483 11.789 -6.435 413 H LEU 63 H LEU 63 -4.665 9.477 -7.412 414 HA LEU 63 HA LEU 63 -6.971 7.921 -7.573 415 HB2 LEU 63 1HB LEU 63 -5.905 7.254 -9.373 416 HB3 LEU 63 2HB LEU 63 -4.480 8.135 -8.860 417 HG LEU 63 HG LEU 63 -3.862 5.874 -9.373 418 HD11 LEU 63 1HD1 LEU 63 -3.235 7.147 -7.020 419 HD12 LEU 63 2HD1 LEU 63 -3.729 5.529 -6.464 420 HD13 LEU 63 3HD1 LEU 63 -2.429 5.698 -7.668 421 HD21 LEU 63 1HD2 LEU 63 -5.285 4.193 -9.132 422 HD22 LEU 63 2HD2 LEU 63 -5.106 4.308 -7.365 423 HD23 LEU 63 3HD2 LEU 63 -6.388 5.225 -8.191 424 H LEU 64 H LEU 64 -4.245 7.911 -5.332 425 HA LEU 64 HA LEU 64 -4.659 5.247 -4.430 426 HB2 LEU 64 1HB LEU 64 -2.670 7.111 -4.223 427 HB3 LEU 64 2HB LEU 64 -3.367 7.165 -2.616 428 HG LEU 64 HG LEU 64 -3.046 4.710 -2.411 429 HD11 LEU 64 1HD1 LEU 64 -1.542 3.578 -4.040 430 HD12 LEU 64 2HD1 LEU 64 -3.129 4.024 -4.711 431 HD13 LEU 64 3HD1 LEU 64 -1.691 4.997 -5.104 432 HD21 LEU 64 1HD2 LEU 64 -0.872 6.696 -2.672 433 HD22 LEU 64 2HD2 LEU 64 -1.313 5.635 -1.312 434 HD23 LEU 64 3HD2 LEU 64 -0.363 4.990 -2.672 435 H GLN 65 H GLN 65 -5.910 4.466 -2.752 436 HA GLN 65 HA GLN 65 -7.051 6.187 -0.857 437 HB2 GLN 65 1HB GLN 65 -9.474 5.745 -1.547 438 HB3 GLN 65 2HB GLN 65 -8.600 6.904 -2.528 439 HG2 GLN 65 1HG GLN 65 -7.994 4.580 -3.868 440 HG3 GLN 65 2HG GLN 65 -9.578 4.171 -3.240 441 HE21 GLN 65 1HE2 GLN 65 -10.300 4.139 -5.412 442 HE22 GLN 65 2HE2 GLN 65 -10.717 5.595 -6.253 443 H VAL 66 H VAL 66 -8.202 4.979 0.819 444 HA VAL 66 HA VAL 66 -7.170 2.569 1.445 445 HB VAL 66 HB VAL 66 -9.775 3.909 2.105 446 HG11 VAL 66 1HG1 VAL 66 -9.121 1.090 2.522 447 HG12 VAL 66 2HG1 VAL 66 -9.451 1.947 4.047 448 HG13 VAL 66 3HG1 VAL 66 -10.662 1.953 2.742 449 HG21 VAL 66 1HG2 VAL 66 -7.866 4.949 3.086 450 HG22 VAL 66 2HG2 VAL 66 -8.656 4.009 4.374 451 HG23 VAL 66 3HG2 VAL 66 -7.185 3.384 3.590 452 H GLY 67 H GLY 67 -7.354 0.481 0.772 453 HA2 GLY 67 1HA GLY 67 -8.755 -1.325 0.080 454 HA3 GLY 67 2HA GLY 67 -9.697 -0.209 -0.888 455 H ASP 68 H ASP 68 -6.716 1.019 -1.391 456 HA ASP 68 HA ASP 68 -6.521 -0.190 -3.924 457 HB2 ASP 68 1HB ASP 68 -4.841 1.788 -2.347 458 HB3 ASP 68 2HB ASP 68 -4.253 1.164 -3.875 459 H ARG 69 H ARG 69 -5.206 -1.945 -4.530 460 HA ARG 69 HA ARG 69 -3.857 -3.296 -2.430 461 HB2 ARG 69 1HB ARG 69 -3.654 -4.073 -5.358 462 HB3 ARG 69 2HB ARG 69 -3.692 -5.121 -3.954 463 HG2 ARG 69 1HG ARG 69 -6.131 -3.724 -3.799 464 HG3 ARG 69 2HG ARG 69 -5.931 -4.010 -5.517 465 HD2 ARG 69 1HD ARG 69 -5.260 -6.481 -4.664 466 HD3 ARG 69 2HD ARG 69 -6.226 -6.012 -3.278 467 HE ARG 69 HE ARG 69 -7.652 -5.348 -5.684 468 HH11 ARG 69 2HH2 ARG 69 -6.678 -8.137 -3.772 469 HH12 ARG 69 1HH2 ARG 69 -8.005 -9.120 -4.297 470 HH21 ARG 69 2HH1 ARG 69 -9.402 -6.644 -6.376 471 HH22 ARG 69 1HH1 ARG 69 -9.564 -8.265 -5.788 472 H VAL 70 H VAL 70 -1.542 -4.270 -3.011 473 HA VAL 70 HA VAL 70 0.049 -2.317 -4.484 474 HB VAL 70 HB VAL 70 0.515 -3.171 -1.621 475 HG11 VAL 70 1HG1 VAL 70 2.665 -2.457 -1.703 476 HG12 VAL 70 2HG1 VAL 70 2.508 -2.859 -3.430 477 HG13 VAL 70 3HG1 VAL 70 2.311 -1.176 -2.887 478 HG21 VAL 70 1HG2 VAL 70 0.663 -0.418 -1.745 479 HG22 VAL 70 2HG2 VAL 70 -0.648 -0.792 -2.890 480 HG23 VAL 70 3HG2 VAL 70 -0.748 -1.361 -1.206 481 H LEU 71 H LEU 71 0.283 -3.894 -6.134 482 HA LEU 71 HA LEU 71 0.874 -6.554 -5.718 483 HB2 LEU 71 1HB LEU 71 1.728 -4.758 -7.993 484 HB3 LEU 71 2HB LEU 71 1.732 -6.510 -8.018 485 HG LEU 71 HG LEU 71 -0.670 -4.677 -7.876 486 HD11 LEU 71 1HD1 LEU 71 -0.752 -4.902 -10.079 487 HD12 LEU 71 2HD1 LEU 71 0.769 -5.827 -10.031 488 HD13 LEU 71 3HD1 LEU 71 -0.792 -6.675 -9.924 489 HD21 LEU 71 1HD2 LEU 71 -0.449 -7.618 -7.311 490 HD22 LEU 71 2HD2 LEU 71 -1.381 -6.362 -6.463 491 HD23 LEU 71 3HD2 LEU 71 -1.924 -6.952 -8.052 492 H SER 72 H SER 72 3.249 -3.930 -6.565 493 HA SER 72 HA SER 72 5.153 -5.415 -4.933 494 HB2 SER 72 1HB SER 72 6.913 -4.532 -6.615 495 HB3 SER 72 2HB SER 72 5.909 -5.875 -7.125 496 HG SER 72 HG SER 72 5.184 -3.141 -7.701 497 H ILE 73 H ILE 73 7.126 -3.906 -4.354 498 HA ILE 73 HA ILE 73 6.228 -1.134 -4.105 499 HB ILE 73 HB ILE 73 7.153 -2.931 -1.867 500 HG12 ILE 73 1HG1 ILE 73 4.635 -1.265 -2.134 501 HG13 ILE 73 2HG1 ILE 73 4.728 -2.969 -2.529 502 HG21 ILE 73 1HG2 ILE 73 7.984 -1.201 -0.756 503 HG22 ILE 73 2HG2 ILE 73 7.788 -0.206 -2.219 504 HG23 ILE 73 3HG2 ILE 73 6.488 -0.268 -1.004 505 HD11 ILE 73 1HD1 ILE 73 3.917 -2.370 -0.153 506 HD12 ILE 73 2HD1 ILE 73 5.204 -3.594 -0.267 507 HD13 ILE 73 3HD1 ILE 73 5.605 -1.921 0.189 508 H ASN 74 H ASN 74 7.706 0.031 -5.207 509 HA ASN 74 HA ASN 74 9.649 0.913 -5.676 510 HB2 ASN 74 1HB ASN 74 10.289 -0.447 -3.268 511 HB3 ASN 74 2HB ASN 74 11.522 -0.972 -4.398 512 HD21 ASN 74 1HD2 ASN 74 11.417 0.901 -2.020 513 HD22 ASN 74 2HD2 ASN 74 12.196 2.356 -2.545 514 H GLY 75 H GLY 75 8.479 -2.075 -6.424 515 HA2 GLY 75 1HA GLY 75 8.954 -2.869 -8.662 516 HA3 GLY 75 2HA GLY 75 10.662 -2.654 -8.335 517 H ILE 76 H ILE 76 9.375 -3.675 -5.421 518 HA ILE 76 HA ILE 76 10.054 -6.454 -6.056 519 HB ILE 76 HB ILE 76 10.065 -5.020 -3.398 520 HG12 ILE 76 1HG1 ILE 76 11.760 -4.225 -5.115 521 HG13 ILE 76 2HG1 ILE 76 12.395 -4.777 -3.578 522 HG21 ILE 76 1HG2 ILE 76 9.806 -7.209 -2.780 523 HG22 ILE 76 2HG2 ILE 76 10.608 -7.838 -4.239 524 HG23 ILE 76 3HG2 ILE 76 11.578 -7.128 -2.927 525 HD11 ILE 76 1HD1 ILE 76 12.692 -7.093 -4.692 526 HD12 ILE 76 2HD1 ILE 76 12.391 -6.258 -6.235 527 HD13 ILE 76 3HD1 ILE 76 13.787 -5.797 -5.232 528 H ALA 77 H ALA 77 8.492 -7.988 -6.011 529 HA ALA 77 HA ALA 77 5.811 -7.237 -5.645 530 HB1 ALA 77 1HB ALA 77 6.237 -9.020 -7.129 531 HB2 ALA 77 2HB ALA 77 7.302 -9.852 -5.971 532 HB3 ALA 77 3HB ALA 77 5.543 -9.820 -5.699 533 H THR 78 H THR 78 4.507 -7.211 -3.859 534 HA THR 78 HA THR 78 5.738 -7.565 -1.307 535 HB THR 78 HB THR 78 3.432 -6.883 -0.540 536 HG1 THR 78 1HG THR 78 2.024 -6.410 -2.534 537 HG21 THR 78 1HG2 THR 78 5.180 -5.217 -1.730 538 HG22 THR 78 2HG2 THR 78 3.935 -5.202 -3.002 539 HG23 THR 78 3HG2 THR 78 3.526 -4.680 -1.350 540 H GLU 79 H GLU 79 4.283 -9.711 -3.563 541 HA GLU 79 HA GLU 79 3.282 -11.464 -1.536 542 HB2 GLU 79 1HB GLU 79 3.595 -11.865 -4.544 543 HB3 GLU 79 2HB GLU 79 2.739 -12.951 -3.469 544 HG2 GLU 79 1HG GLU 79 1.257 -10.967 -2.800 545 HG3 GLU 79 2HG GLU 79 2.024 -10.048 -4.080 546 H ASP 80 H ASP 80 6.295 -10.814 -3.140 547 HA ASP 80 HA ASP 80 7.258 -13.489 -2.675 548 HB2 ASP 80 1HB ASP 80 8.437 -10.984 -3.937 549 HB3 ASP 80 2HB ASP 80 9.442 -12.377 -3.591 550 H GLY 81 H GLY 81 6.477 -12.162 -0.293 551 HA2 GLY 81 1HA GLY 81 8.827 -12.268 1.263 552 HA3 GLY 81 2HA GLY 81 8.414 -10.592 0.961 553 H THR 82 H THR 82 8.188 -10.779 3.459 554 HA THR 82 HA THR 82 5.544 -11.847 4.165 555 HB THR 82 HB THR 82 6.508 -11.609 6.519 556 HG1 THR 82 1HG THR 82 8.251 -10.232 6.405 557 HG21 THR 82 1HG2 THR 82 7.013 -13.805 6.010 558 HG22 THR 82 2HG2 THR 82 7.594 -13.385 4.381 559 HG23 THR 82 3HG2 THR 82 8.666 -13.183 5.787 560 H MET 83 H MET 83 4.192 -10.561 5.661 561 HA MET 83 HA MET 83 3.464 -8.226 4.614 562 HB2 MET 83 1HB MET 83 2.601 -9.728 6.686 563 HB3 MET 83 2HB MET 83 3.420 -8.505 7.638 564 HG2 MET 83 1HG MET 83 1.372 -7.810 5.483 565 HG3 MET 83 2HG MET 83 0.929 -8.074 7.157 566 HE1 MET 83 1HE MET 83 2.620 -4.933 4.848 567 HE2 MET 83 2HE MET 83 1.165 -5.955 4.763 568 HE3 MET 83 3HE MET 83 1.110 -4.398 5.624 569 H GLU 84 H GLU 84 5.464 -8.424 7.656 570 HA GLU 84 HA GLU 84 5.992 -5.818 7.947 571 HB2 GLU 84 1HB GLU 84 6.857 -8.124 9.141 572 HB3 GLU 84 2HB GLU 84 8.344 -7.608 8.371 573 HG2 GLU 84 1HG GLU 84 7.984 -5.300 9.414 574 HG3 GLU 84 2HG GLU 84 6.639 -5.978 10.308 575 H GLU 85 H GLU 85 8.106 -8.141 6.102 576 HA GLU 85 HA GLU 85 9.999 -6.523 5.232 577 HB2 GLU 85 1HB GLU 85 8.498 -8.736 3.816 578 HB3 GLU 85 2HB GLU 85 9.778 -7.885 2.974 579 HG2 GLU 85 1HG GLU 85 11.290 -8.381 4.994 580 HG3 GLU 85 2HG GLU 85 10.018 -9.426 5.596 581 H ALA 86 H ALA 86 6.667 -6.731 3.847 582 HA ALA 86 HA ALA 86 7.064 -4.993 1.718 583 HB1 ALA 86 1HB ALA 86 4.433 -4.919 3.098 584 HB2 ALA 86 2HB ALA 86 4.828 -5.301 1.405 585 HB3 ALA 86 3HB ALA 86 5.025 -6.541 2.667 586 H ASN 87 H ASN 87 5.980 -4.368 5.122 587 HA ASN 87 HA ASN 87 5.622 -1.653 4.767 588 HB2 ASN 87 1HB ASN 87 6.082 -3.494 7.116 589 HB3 ASN 87 2HB ASN 87 6.263 -1.775 7.408 590 HD21 ASN 87 1HD2 ASN 87 4.105 -4.344 6.461 591 HD22 ASN 87 2HD2 ASN 87 2.605 -3.504 6.669 592 H GLN 88 H GLN 88 8.432 -3.655 5.890 593 HA GLN 88 HA GLN 88 10.094 -1.580 6.582 594 HB2 GLN 88 1HB GLN 88 10.590 -3.883 7.196 595 HB3 GLN 88 2HB GLN 88 10.708 -4.367 5.516 596 HG2 GLN 88 1HG GLN 88 12.939 -3.964 5.684 597 HG3 GLN 88 2HG GLN 88 12.536 -2.259 5.665 598 HE21 GLN 88 1HE2 GLN 88 13.187 -1.076 7.289 599 HE22 GLN 88 2HE2 GLN 88 13.629 -1.619 8.873 600 H LEU 89 H LEU 89 9.651 -3.272 3.413 601 HA LEU 89 HA LEU 89 11.665 -2.100 1.994 602 HB2 LEU 89 1HB LEU 89 8.987 -3.216 1.353 603 HB3 LEU 89 2HB LEU 89 9.777 -2.271 0.107 604 HG LEU 89 HG LEU 89 10.858 -4.764 1.445 605 HD11 LEU 89 1HD1 LEU 89 9.858 -4.224 -1.363 606 HD12 LEU 89 2HD1 LEU 89 10.707 -5.704 -0.857 607 HD13 LEU 89 3HD1 LEU 89 9.131 -5.293 -0.139 608 HD21 LEU 89 1HD2 LEU 89 12.450 -4.168 -0.772 609 HD22 LEU 89 2HD2 LEU 89 12.258 -2.621 0.086 610 HD23 LEU 89 3HD2 LEU 89 12.898 -4.042 0.946 611 H LEU 90 H LEU 90 8.602 -0.700 3.137 612 HA LEU 90 HA LEU 90 8.798 1.606 1.474 613 HB2 LEU 90 1HB LEU 90 6.953 0.453 3.382 614 HB3 LEU 90 2HB LEU 90 7.162 2.168 3.677 615 HG LEU 90 HG LEU 90 6.149 0.810 1.180 616 HD11 LEU 90 1HD1 LEU 90 4.118 1.709 1.661 617 HD12 LEU 90 2HD1 LEU 90 4.757 1.584 3.318 618 HD13 LEU 90 3HD1 LEU 90 4.809 3.143 2.459 619 HD21 LEU 90 1HD2 LEU 90 7.371 3.530 1.468 620 HD22 LEU 90 2HD2 LEU 90 7.478 2.361 0.130 621 HD23 LEU 90 3HD2 LEU 90 5.988 3.304 0.370 622 H ARG 91 H ARG 91 9.843 0.659 4.765 623 HA ARG 91 HA ARG 91 10.415 3.148 5.719 624 HB2 ARG 91 1HB ARG 91 10.851 0.459 6.508 625 HB3 ARG 91 2HB ARG 91 12.452 1.173 6.500 626 HG2 ARG 91 1HG ARG 91 11.413 3.140 7.841 627 HG3 ARG 91 2HG ARG 91 10.008 2.115 8.056 628 HD2 ARG 91 1HD ARG 91 11.193 0.529 9.363 629 HD3 ARG 91 2HD ARG 91 12.752 1.015 8.727 630 HE ARG 91 HE ARG 91 11.799 3.300 10.016 631 HH11 ARG 91 2HH2 ARG 91 12.418 -0.031 10.969 632 HH12 ARG 91 1HH2 ARG 91 12.778 0.373 12.615 633 HH21 ARG 91 2HH1 ARG 91 12.273 3.832 12.187 634 HH22 ARG 91 1HH1 ARG 91 12.694 2.585 13.312 635 H ASP 92 H ASP 92 12.698 0.784 4.136 636 HA ASP 92 HA ASP 92 14.855 2.459 4.071 637 HB2 ASP 92 1HB ASP 92 14.724 -0.041 3.512 638 HB3 ASP 92 2HB ASP 92 14.120 0.412 1.930 639 H ALA 93 H ALA 93 12.115 1.971 1.767 640 HA ALA 93 HA ALA 93 13.077 3.472 -0.354 641 HB1 ALA 93 1HB ALA 93 11.052 1.929 -0.241 642 HB2 ALA 93 2HB ALA 93 10.179 3.270 0.540 643 HB3 ALA 93 3HB ALA 93 10.804 3.458 -1.116 644 H ALA 94 H ALA 94 11.069 4.457 2.503 645 HA ALA 94 HA ALA 94 10.706 7.091 1.834 646 HB1 ALA 94 1HB ALA 94 10.939 7.208 4.541 647 HB2 ALA 94 2HB ALA 94 9.511 6.555 3.703 648 HB3 ALA 94 3HB ALA 94 10.765 5.451 4.317 649 H LEU 95 H LEU 95 13.544 5.462 3.333 650 HA LEU 95 HA LEU 95 14.942 7.806 3.944 651 HB2 LEU 95 1HB LEU 95 15.982 5.039 3.319 652 HB3 LEU 95 2HB LEU 95 16.891 6.326 4.086 653 HG LEU 95 HG LEU 95 14.433 4.965 5.224 654 HD11 LEU 95 1HD1 LEU 95 16.152 3.404 5.415 655 HD12 LEU 95 2HD1 LEU 95 17.385 4.648 5.733 656 HD13 LEU 95 3HD1 LEU 95 16.179 4.250 6.980 657 HD21 LEU 95 1HD2 LEU 95 14.259 7.049 6.168 658 HD22 LEU 95 2HD2 LEU 95 15.337 6.248 7.336 659 HD23 LEU 95 3HD2 LEU 95 16.013 7.349 6.111 660 H ALA 96 H ALA 96 14.200 6.227 0.925 661 HA ALA 96 HA ALA 96 16.449 7.350 -0.472 662 HB1 ALA 96 1HB ALA 96 14.536 5.289 -0.878 663 HB2 ALA 96 2HB ALA 96 14.283 6.479 -2.177 664 HB3 ALA 96 3HB ALA 96 15.888 5.746 -1.941 665 H HIS 97 H HIS 97 13.267 8.344 0.566 666 HA HIS 97 HA HIS 97 12.400 10.393 0.482 667 HB2 HIS 97 1HB HIS 97 14.221 11.238 -1.763 668 HB3 HIS 97 2HB HIS 97 13.414 12.234 -0.569 669 HD1 HIS 97 1HD HIS 97 16.463 12.483 -1.009 670 HD2 HIS 97 2HD HIS 97 14.704 10.007 1.885 671 HE1 HIS 97 1HE HIS 97 18.241 12.102 0.782 672 H LYS 98 H LYS 98 12.603 8.003 -1.850 673 HA LYS 98 HA LYS 98 10.127 8.883 -3.025 674 HB2 LYS 98 1HB LYS 98 11.773 10.004 -4.463 675 HB3 LYS 98 2HB LYS 98 12.581 8.478 -4.760 676 HG2 LYS 98 1HG LYS 98 9.634 8.505 -5.289 677 HG3 LYS 98 2HG LYS 98 10.606 9.488 -6.366 678 HD2 LYS 98 1HD LYS 98 11.899 6.905 -5.951 679 HD3 LYS 98 2HD LYS 98 10.239 6.662 -6.458 680 HE2 LYS 98 1HE LYS 98 11.617 6.807 -8.460 681 HE3 LYS 98 2HE LYS 98 10.631 8.254 -8.383 682 HZ1 LYS 98 1HZ LYS 98 12.887 8.810 -8.859 683 HZ2 LYS 98 2HZ LYS 98 12.520 9.385 -7.376 684 HZ3 LYS 98 3HZ LYS 98 13.434 8.041 -7.526 685 H VAL 99 H VAL 99 8.988 7.119 -4.077 686 HA VAL 99 HA VAL 99 10.220 4.527 -4.054 687 HB VAL 99 HB VAL 99 9.576 4.936 -1.674 688 HG11 VAL 99 1HG1 VAL 99 7.410 6.195 -2.492 689 HG12 VAL 99 2HG1 VAL 99 6.698 4.564 -2.445 690 HG13 VAL 99 3HG1 VAL 99 7.403 5.271 -0.971 691 HG21 VAL 99 1HG2 VAL 99 7.858 2.719 -2.774 692 HG22 VAL 99 2HG2 VAL 99 9.629 2.659 -2.946 693 HG23 VAL 99 3HG2 VAL 99 8.895 2.738 -1.327 694 H VAL 100 H VAL 100 8.916 2.950 -5.203 695 HA VAL 100 HA VAL 100 6.768 4.246 -6.734 696 HB VAL 100 HB VAL 100 8.737 2.091 -7.525 697 HG11 VAL 100 1HG1 VAL 100 6.179 3.008 -8.745 698 HG12 VAL 100 2HG1 VAL 100 7.552 2.751 -9.849 699 HG13 VAL 100 3HG1 VAL 100 6.982 1.421 -8.813 700 HG21 VAL 100 1HG2 VAL 100 8.653 4.429 -9.231 701 HG22 VAL 100 2HG2 VAL 100 8.976 4.896 -7.544 702 HG23 VAL 100 3HG2 VAL 100 10.027 3.711 -8.356 703 H LEU 101 H LEU 101 4.755 3.352 -6.634 704 HA LEU 101 HA LEU 101 4.587 0.724 -5.328 705 HB2 LEU 101 1HB LEU 101 2.841 3.166 -5.049 706 HB3 LEU 101 2HB LEU 101 2.316 1.566 -4.563 707 HG LEU 101 HG LEU 101 4.832 2.848 -3.479 708 HD11 LEU 101 1HD1 LEU 101 2.014 3.011 -2.380 709 HD12 LEU 101 2HD1 LEU 101 3.485 3.436 -1.472 710 HD13 LEU 101 3HD1 LEU 101 3.043 4.356 -2.930 711 HD21 LEU 101 1HD2 LEU 101 4.040 0.253 -3.355 712 HD22 LEU 101 2HD2 LEU 101 5.045 1.063 -2.130 713 HD23 LEU 101 3HD2 LEU 101 3.290 0.905 -1.878 714 H GLU 102 H GLU 102 3.119 -0.793 -6.191 715 HA GLU 102 HA GLU 102 1.988 0.037 -8.750 716 HB2 GLU 102 1HB GLU 102 3.931 -1.431 -9.120 717 HB3 GLU 102 2HB GLU 102 3.272 -2.635 -8.030 718 HG2 GLU 102 1HG GLU 102 1.824 -3.451 -9.605 719 HG3 GLU 102 2HG GLU 102 1.365 -1.851 -10.153 720 H VAL 103 H VAL 103 -0.211 0.047 -8.629 721 HA VAL 103 HA VAL 103 -1.453 -1.787 -6.714 722 HB VAL 103 HB VAL 103 -2.721 0.553 -8.132 723 HG11 VAL 103 1HG1 VAL 103 -3.526 -1.369 -6.045 724 HG12 VAL 103 2HG1 VAL 103 -3.873 0.332 -5.655 725 HG13 VAL 103 3HG1 VAL 103 -4.518 -0.388 -7.150 726 HG21 VAL 103 1HG2 VAL 103 -2.220 1.467 -5.596 727 HG22 VAL 103 2HG2 VAL 103 -0.736 0.550 -5.950 728 HG23 VAL 103 3HG2 VAL 103 -1.251 1.863 -7.036 729 H GLU 104 H GLU 104 -3.557 -2.802 -7.420 730 HA GLU 104 HA GLU 104 -3.561 -3.248 -10.294 731 HB2 GLU 104 1HB GLU 104 -2.477 -5.122 -8.736 732 HB3 GLU 104 2HB GLU 104 -4.149 -5.548 -8.431 733 HG2 GLU 104 1HG GLU 104 -4.461 -5.552 -11.007 734 HG3 GLU 104 2HG GLU 104 -2.714 -5.482 -11.117 735 H PHE 105 H PHE 105 -5.511 -2.543 -11.039 736 HA PHE 105 HA PHE 105 -7.882 -3.382 -9.589 737 HB2 PHE 105 1HB PHE 105 -8.712 -0.939 -9.891 738 HB3 PHE 105 2HB PHE 105 -7.475 -1.158 -8.669 739 HD1 PHE 105 2HD PHE 105 -7.656 -0.502 -12.348 740 HD2 PHE 105 1HD PHE 105 -5.772 0.385 -8.650 741 HE1 PHE 105 2HE PHE 105 -6.225 1.215 -13.489 742 HE2 PHE 105 1HE PHE 105 -4.341 2.103 -9.791 743 HZ PHE 105 HZ PHE 105 -4.585 2.497 -12.197 744 H ASP 106 H ASP 106 -9.922 -2.799 -10.926 745 HA ASP 106 HA ASP 106 -9.228 -3.334 -13.689 746 HB2 ASP 106 1HB ASP 106 -11.035 -4.553 -12.009 747 HB3 ASP 106 2HB ASP 106 -12.081 -3.386 -12.793 748 H SER 107 H SER 107 -9.540 -0.668 -11.893 749 HA SER 107 HA SER 107 -10.273 1.368 -12.115 750 HB2 SER 107 1HB SER 107 -9.097 1.889 -14.003 751 HB3 SER 107 2HB SER 107 -9.647 0.464 -14.862 752 HG SER 107 HG SER 107 -10.888 3.040 -14.645 753 H GLY 108 H GLY 108 -12.298 1.513 -11.140 754 HA2 GLY 108 1HA GLY 108 -14.628 0.988 -12.889 755 HA3 GLY 108 2HA GLY 108 -14.596 0.618 -11.176 756 HA PRO 109 HA PRO 109 -16.272 4.801 -11.487 757 HB2 PRO 109 1HB PRO 109 -18.464 4.415 -9.901 758 HB3 PRO 109 2HB PRO 109 -18.502 4.251 -11.645 759 HG2 PRO 109 1HG PRO 109 -18.515 2.132 -9.584 760 HG3 PRO 109 2HG PRO 109 -18.974 2.025 -11.272 761 HD2 PRO 109 1HD PRO 109 -16.533 1.086 -10.094 762 HD3 PRO 109 2HD PRO 109 -16.944 1.084 -11.798 763 H SER 110 H SER 110 -14.030 4.596 -10.237 764 HA SER 110 HA SER 110 -14.378 4.722 -7.442 765 HB2 SER 110 1HB SER 110 -12.113 5.071 -9.382 766 HB3 SER 110 2HB SER 110 -11.905 5.771 -7.788 767 HG SER 110 HG SER 110 -12.009 3.769 -6.831 768 H SER 111 H SER 111 -14.617 6.525 -6.099 769 HA SER 111 HA SER 111 -13.867 9.072 -6.749 770 HB2 SER 111 1HB SER 111 -16.031 8.452 -8.328 771 HB3 SER 111 2HB SER 111 -16.843 9.133 -6.933 772 HG SER 111 HG SER 111 -14.895 10.840 -7.335 773 H GLY 112 H GLY 112 -13.703 10.045 -4.755 774 HA2 GLY 112 1HA GLY 112 -14.138 10.587 -2.615 775 HA3 GLY 112 2HA GLY 112 -15.790 10.051 -2.847 Start of MODEL 9 1 H1 GLY 1 H GLY 1 29.632 -2.523 -32.844 2 HA2 GLY 1 1HA GLY 1 28.123 -0.778 -31.195 3 HA3 GLY 1 2HA GLY 1 28.490 0.002 -32.721 4 H SER 2 H SER 2 26.034 -1.500 -31.286 5 HA SER 2 HA SER 2 24.798 -2.170 -33.685 6 HB2 SER 2 1HB SER 2 26.066 -4.210 -33.719 7 HB3 SER 2 2HB SER 2 25.825 -4.484 -32.005 8 HG SER 2 HG SER 2 24.427 -5.643 -33.789 9 H SER 3 H SER 3 22.908 -1.153 -33.073 10 HA SER 3 HA SER 3 21.482 -2.333 -30.886 11 HB2 SER 3 1HB SER 3 21.095 -0.264 -29.671 12 HB3 SER 3 2HB SER 3 22.825 -0.504 -29.817 13 HG SER 3 HG SER 3 21.142 1.400 -31.131 14 H GLY 4 H GLY 4 19.308 -2.438 -31.417 15 HA2 GLY 4 1HA GLY 4 17.960 -0.424 -32.889 16 HA3 GLY 4 2HA GLY 4 18.399 -1.750 -33.947 17 H SER 5 H SER 5 17.507 -3.883 -33.601 18 HA SER 5 HA SER 5 14.913 -3.971 -32.948 19 HB2 SER 5 1HB SER 5 15.083 -6.344 -33.037 20 HB3 SER 5 2HB SER 5 16.382 -5.761 -34.060 21 HG SER 5 HG SER 5 17.712 -6.879 -32.823 22 H SER 6 H SER 6 13.790 -5.171 -31.082 23 HA SER 6 HA SER 6 15.254 -5.173 -28.625 24 HB2 SER 6 1HB SER 6 13.542 -2.928 -29.368 25 HB3 SER 6 2HB SER 6 12.904 -3.729 -27.945 26 HG SER 6 HG SER 6 14.359 -2.339 -27.063 27 H GLY 7 H GLY 7 11.863 -5.085 -29.962 28 HA2 GLY 7 1HA GLY 7 10.804 -7.325 -30.111 29 HA3 GLY 7 2HA GLY 7 11.329 -7.578 -28.459 30 H GLY 8 H GLY 8 10.099 -6.792 -26.747 31 HA2 GLY 8 1HA GLY 8 8.645 -4.818 -26.143 32 HA3 GLY 8 2HA GLY 8 7.669 -5.298 -27.517 33 H GLY 9 H GLY 9 5.800 -5.777 -26.253 34 HA2 GLY 9 1HA GLY 9 5.865 -8.413 -25.037 35 HA3 GLY 9 2HA GLY 9 5.502 -7.092 -23.944 36 H GLN 10 H GLN 10 4.060 -9.425 -25.783 37 HA GLN 10 HA GLN 10 1.868 -7.712 -26.611 38 HB2 GLN 10 1HB GLN 10 3.106 -9.684 -28.004 39 HB3 GLN 10 2HB GLN 10 1.869 -10.648 -27.223 40 HG2 GLN 10 1HG GLN 10 0.137 -8.972 -28.057 41 HG3 GLN 10 2HG GLN 10 1.412 -8.179 -28.960 42 HE21 GLN 10 1HE2 GLN 10 0.201 -8.645 -30.846 43 HE22 GLN 10 2HE2 GLN 10 0.267 -10.199 -31.608 44 H ILE 11 H ILE 11 -0.335 -8.183 -25.961 45 HA ILE 11 HA ILE 11 -1.911 -8.737 -24.520 46 HB ILE 11 HB ILE 11 -0.205 -11.207 -24.323 47 HG12 ILE 11 1HG1 ILE 11 -2.644 -11.894 -25.379 48 HG13 ILE 11 2HG1 ILE 11 -2.438 -10.271 -26.006 49 HG21 ILE 11 1HG2 ILE 11 -2.622 -11.996 -23.344 50 HG22 ILE 11 2HG2 ILE 11 -1.196 -11.612 -22.351 51 HG23 ILE 11 3HG2 ILE 11 -2.457 -10.383 -22.610 52 HD11 ILE 11 1HD1 ILE 11 -1.406 -11.735 -27.607 53 HD12 ILE 11 2HD1 ILE 11 -0.068 -10.967 -26.720 54 HD13 ILE 11 3HD1 ILE 11 -0.549 -12.636 -26.333 55 H VAL 12 H VAL 12 -2.480 -8.286 -22.371 56 HA VAL 12 HA VAL 12 -0.266 -8.126 -20.471 57 HB VAL 12 HB VAL 12 -0.405 -5.935 -21.468 58 HG11 VAL 12 1HG1 VAL 12 -2.849 -6.258 -22.193 59 HG12 VAL 12 2HG1 VAL 12 -3.280 -5.689 -20.563 60 HG13 VAL 12 3HG1 VAL 12 -2.359 -4.633 -21.660 61 HG21 VAL 12 1HG2 VAL 12 -0.657 -6.492 -18.730 62 HG22 VAL 12 2HG2 VAL 12 -0.052 -4.992 -19.474 63 HG23 VAL 12 3HG2 VAL 12 -1.771 -5.137 -19.032 64 H HIS 13 H HIS 13 -0.863 -8.588 -18.345 65 HA HIS 13 HA HIS 13 -3.595 -9.568 -18.100 66 HB2 HIS 13 1HB HIS 13 -1.128 -10.663 -17.416 67 HB3 HIS 13 2HB HIS 13 -1.777 -10.126 -15.880 68 HD1 HIS 13 1HD HIS 13 -4.592 -10.871 -15.750 69 HD2 HIS 13 2HD HIS 13 -1.866 -13.235 -17.890 70 HE1 HIS 13 1HE HIS 13 -5.652 -13.184 -15.947 71 H THR 14 H THR 14 -5.026 -8.100 -17.323 72 HA THR 14 HA THR 14 -5.893 -6.438 -16.123 73 HB THR 14 HB THR 14 -3.866 -7.304 -13.999 74 HG1 THR 14 1HG THR 14 -5.143 -9.035 -15.156 75 HG21 THR 14 1HG2 THR 14 -6.753 -6.285 -13.849 76 HG22 THR 14 2HG2 THR 14 -5.780 -6.831 -12.462 77 HG23 THR 14 3HG2 THR 14 -5.312 -5.364 -13.355 78 H GLU 15 H GLU 15 -5.484 -4.292 -14.987 79 HA GLU 15 HA GLU 15 -3.198 -3.119 -16.334 80 HB2 GLU 15 1HB GLU 15 -5.726 -1.867 -15.176 81 HB3 GLU 15 2HB GLU 15 -4.419 -0.941 -15.888 82 HG2 GLU 15 1HG GLU 15 -6.109 -1.284 -17.603 83 HG3 GLU 15 2HG GLU 15 -4.706 -2.243 -18.032 84 H THR 16 H THR 16 -1.875 -1.483 -15.179 85 HA THR 16 HA THR 16 -2.084 -1.553 -12.273 86 HB THR 16 HB THR 16 0.504 -2.063 -12.340 87 HG1 THR 16 1HG THR 16 1.071 -2.336 -14.465 88 HG21 THR 16 1HG2 THR 16 -1.682 -3.740 -11.962 89 HG22 THR 16 2HG2 THR 16 -0.855 -4.519 -13.333 90 HG23 THR 16 3HG2 THR 16 0.016 -4.252 -11.804 91 H THR 17 H THR 17 -0.962 0.173 -11.212 92 HA THR 17 HA THR 17 -0.087 2.282 -13.068 93 HB THR 17 HB THR 17 -2.473 2.573 -12.173 94 HG1 THR 17 1HG THR 17 -1.921 4.796 -11.775 95 HG21 THR 17 1HG2 THR 17 -2.798 3.166 -9.869 96 HG22 THR 17 2HG2 THR 17 -1.814 1.684 -9.803 97 HG23 THR 17 3HG2 THR 17 -1.047 3.274 -9.570 98 H GLU 18 H GLU 18 1.512 3.736 -12.277 99 HA GLU 18 HA GLU 18 2.935 2.577 -10.009 100 HB2 GLU 18 1HB GLU 18 4.134 2.404 -12.186 101 HB3 GLU 18 2HB GLU 18 4.049 4.143 -12.379 102 HG2 GLU 18 1HG GLU 18 5.649 4.556 -10.736 103 HG3 GLU 18 2HG GLU 18 5.223 3.133 -9.804 104 H VAL 19 H VAL 19 2.900 3.805 -8.181 105 HA VAL 19 HA VAL 19 2.386 6.672 -8.524 106 HB VAL 19 HB VAL 19 1.888 4.747 -6.251 107 HG11 VAL 19 1HG1 VAL 19 2.543 7.464 -5.997 108 HG12 VAL 19 2HG1 VAL 19 0.770 7.397 -5.857 109 HG13 VAL 19 3HG1 VAL 19 1.786 6.418 -4.772 110 HG21 VAL 19 1HG2 VAL 19 0.076 6.333 -8.092 111 HG22 VAL 19 2HG2 VAL 19 0.197 4.565 -7.928 112 HG23 VAL 19 3HG2 VAL 19 -0.488 5.537 -6.603 113 H VAL 20 H VAL 20 3.930 8.143 -7.965 114 HA VAL 20 HA VAL 20 6.291 7.055 -6.593 115 HB VAL 20 HB VAL 20 6.055 9.258 -8.652 116 HG11 VAL 20 1HG1 VAL 20 8.702 8.209 -7.746 117 HG12 VAL 20 2HG1 VAL 20 8.248 9.827 -8.333 118 HG13 VAL 20 3HG1 VAL 20 7.843 9.338 -6.670 119 HG21 VAL 20 1HG2 VAL 20 6.024 7.420 -9.994 120 HG22 VAL 20 2HG2 VAL 20 7.783 7.497 -9.727 121 HG23 VAL 20 3HG2 VAL 20 6.785 6.374 -8.772 122 H LEU 21 H LEU 21 6.595 7.804 -4.565 123 HA LEU 21 HA LEU 21 5.389 10.409 -3.938 124 HB2 LEU 21 1HB LEU 21 5.753 8.032 -2.110 125 HB3 LEU 21 2HB LEU 21 5.078 9.586 -1.662 126 HG LEU 21 HG LEU 21 3.875 7.645 -3.656 127 HD11 LEU 21 1HD1 LEU 21 3.821 6.936 -1.249 128 HD12 LEU 21 2HD1 LEU 21 2.848 8.387 -0.907 129 HD13 LEU 21 3HD1 LEU 21 2.225 7.137 -2.011 130 HD21 LEU 21 1HD2 LEU 21 3.300 9.859 -4.339 131 HD22 LEU 21 2HD2 LEU 21 1.883 9.161 -3.517 132 HD23 LEU 21 3HD2 LEU 21 2.913 10.340 -2.669 133 H CYS 22 H CYS 22 6.616 11.872 -2.677 134 HA CYS 22 HA CYS 22 9.397 11.043 -2.284 135 HB2 CYS 22 1HB CYS 22 9.742 13.667 -2.761 136 HB3 CYS 22 2HB CYS 22 9.854 12.442 -4.008 137 HG CYS 22 HG CYS 22 8.284 14.892 -4.228 138 H GLY 23 H GLY 23 9.729 11.031 -0.087 139 HA2 GLY 23 1HA GLY 23 8.738 13.313 1.468 140 HA3 GLY 23 2HA GLY 23 8.254 11.701 1.955 141 H ASP 24 H ASP 24 9.522 12.680 3.952 142 HA ASP 24 HA ASP 24 12.367 12.360 3.593 143 HB2 ASP 24 1HB ASP 24 11.207 12.894 6.301 144 HB3 ASP 24 2HB ASP 24 12.610 13.612 5.534 145 HA PRO 25 HA PRO 25 12.382 8.507 5.689 146 HB2 PRO 25 1HB PRO 25 14.671 8.554 7.182 147 HB3 PRO 25 2HB PRO 25 14.658 8.242 5.458 148 HG2 PRO 25 1HG PRO 25 15.470 10.697 6.891 149 HG3 PRO 25 2HG PRO 25 15.840 10.211 5.248 150 HD2 PRO 25 1HD PRO 25 13.902 12.162 6.067 151 HD3 PRO 25 2HD PRO 25 14.191 11.592 4.435 152 H LEU 26 H LEU 26 12.395 11.330 7.619 153 HA LEU 26 HA LEU 26 11.739 9.803 9.994 154 HB2 LEU 26 1HB LEU 26 12.660 12.510 9.355 155 HB3 LEU 26 2HB LEU 26 11.419 12.471 10.592 156 HG LEU 26 HG LEU 26 13.655 10.537 10.917 157 HD11 LEU 26 1HD1 LEU 26 14.035 13.514 10.939 158 HD12 LEU 26 2HD1 LEU 26 14.943 12.488 12.075 159 HD13 LEU 26 3HD1 LEU 26 15.103 12.232 10.320 160 HD21 LEU 26 1HD2 LEU 26 13.197 12.037 13.249 161 HD22 LEU 26 2HD2 LEU 26 11.597 11.774 12.516 162 HD23 LEU 26 3HD2 LEU 26 12.645 10.384 12.886 163 H SER 27 H SER 27 10.230 12.371 7.913 164 HA SER 27 HA SER 27 7.738 12.022 9.191 165 HB2 SER 27 1HB SER 27 8.562 14.147 8.072 166 HB3 SER 27 2HB SER 27 8.334 13.367 6.520 167 HG SER 27 HG SER 27 6.132 13.390 6.763 168 H GLY 28 H GLY 28 9.474 10.129 6.989 169 HA2 GLY 28 1HA GLY 28 8.945 8.421 5.629 170 HA3 GLY 28 2HA GLY 28 7.466 8.269 6.558 171 H PHE 29 H PHE 29 5.931 7.916 4.962 172 HA PHE 29 HA PHE 29 5.797 9.969 2.867 173 HB2 PHE 29 1HB PHE 29 5.084 6.993 3.047 174 HB3 PHE 29 2HB PHE 29 4.407 7.989 1.774 175 HD1 PHE 29 2HD PHE 29 6.747 9.708 1.122 176 HD2 PHE 29 1HD PHE 29 6.512 5.545 1.909 177 HE1 PHE 29 2HE PHE 29 8.803 9.329 -0.267 178 HE2 PHE 29 1HE PHE 29 8.568 5.166 0.520 179 HZ PHE 29 HZ PHE 29 9.689 7.063 -0.551 180 H GLY 30 H GLY 30 3.355 7.490 3.728 181 HA2 GLY 30 1HA GLY 30 1.693 8.550 5.472 182 HA3 GLY 30 2HA GLY 30 1.405 9.631 4.124 183 H LEU 31 H LEU 31 1.730 6.067 4.783 184 HA LEU 31 HA LEU 31 -0.829 5.585 3.628 185 HB2 LEU 31 1HB LEU 31 -0.148 4.247 1.761 186 HB3 LEU 31 2HB LEU 31 0.463 5.880 1.586 187 HG LEU 31 HG LEU 31 2.582 4.605 2.805 188 HD11 LEU 31 1HD1 LEU 31 2.908 2.466 2.017 189 HD12 LEU 31 2HD1 LEU 31 1.157 2.462 2.338 190 HD13 LEU 31 3HD1 LEU 31 1.756 2.664 0.674 191 HD21 LEU 31 1HD2 LEU 31 1.924 5.303 -0.041 192 HD22 LEU 31 2HD2 LEU 31 3.064 6.074 1.087 193 HD23 LEU 31 3HD2 LEU 31 3.462 4.500 0.357 194 H GLN 32 H GLN 32 -1.695 3.735 4.504 195 HA GLN 32 HA GLN 32 0.198 2.147 6.054 196 HB2 GLN 32 1HB GLN 32 -2.494 3.252 6.664 197 HB3 GLN 32 2HB GLN 32 -2.268 1.586 7.158 198 HG2 GLN 32 1HG GLN 32 -0.012 3.455 7.793 199 HG3 GLN 32 2HG GLN 32 -1.500 3.727 8.677 200 HE21 GLN 32 1HE2 GLN 32 -0.922 3.020 10.636 201 HE22 GLN 32 2HE2 GLN 32 -0.468 1.395 11.029 202 H LEU 33 H LEU 33 0.302 -0.059 5.682 203 HA LEU 33 HA LEU 33 -1.388 -1.035 3.519 204 HB2 LEU 33 1HB LEU 33 1.217 -1.912 4.733 205 HB3 LEU 33 2HB LEU 33 0.278 -3.001 3.732 206 HG LEU 33 HG LEU 33 1.349 -0.299 2.870 207 HD11 LEU 33 1HD1 LEU 33 2.281 -3.103 2.196 208 HD12 LEU 33 2HD1 LEU 33 2.876 -1.605 1.440 209 HD13 LEU 33 3HD1 LEU 33 3.148 -1.896 3.175 210 HD21 LEU 33 1HD2 LEU 33 -0.647 -0.670 1.653 211 HD22 LEU 33 2HD2 LEU 33 0.690 -1.130 0.572 212 HD23 LEU 33 3HD2 LEU 33 -0.263 -2.388 1.395 213 H GLN 34 H GLN 34 -2.327 -3.256 3.705 214 HA GLN 34 HA GLN 34 -2.816 -4.011 6.458 215 HB2 GLN 34 1HB GLN 34 -4.794 -2.806 6.202 216 HB3 GLN 34 2HB GLN 34 -4.871 -3.078 4.473 217 HG2 GLN 34 1HG GLN 34 -5.791 -5.238 4.708 218 HG3 GLN 34 2HG GLN 34 -5.145 -5.455 6.322 219 HE21 GLN 34 1HE2 GLN 34 -7.642 -4.027 4.365 220 HE22 GLN 34 2HE2 GLN 34 -8.749 -3.609 5.629 221 H GLY 35 H GLY 35 -2.225 -6.127 6.611 222 HA2 GLY 35 1HA GLY 35 -3.094 -7.972 4.509 223 HA3 GLY 35 2HA GLY 35 -1.375 -7.846 4.825 224 H GLY 36 H GLY 36 -1.374 -10.102 5.524 225 HA2 GLY 36 1HA GLY 36 -2.940 -11.304 7.393 226 HA3 GLY 36 2HA GLY 36 -1.229 -11.621 7.185 227 H ILE 37 H ILE 37 -2.657 -11.742 9.709 228 HA ILE 37 HA ILE 37 -2.268 -9.362 11.173 229 HB ILE 37 HB ILE 37 -2.811 -12.231 11.860 230 HG12 ILE 37 1HG1 ILE 37 -4.659 -10.295 12.910 231 HG13 ILE 37 2HG1 ILE 37 -4.393 -9.960 11.211 232 HG21 ILE 37 1HG2 ILE 37 -1.649 -10.205 13.616 233 HG22 ILE 37 2HG2 ILE 37 -3.198 -10.844 14.218 234 HG23 ILE 37 3HG2 ILE 37 -1.856 -11.957 13.856 235 HD11 ILE 37 1HD1 ILE 37 -4.615 -12.676 11.092 236 HD12 ILE 37 2HD1 ILE 37 -5.645 -12.344 12.505 237 HD13 ILE 37 3HD1 ILE 37 -6.006 -11.577 10.940 238 H PHE 38 H PHE 38 -0.373 -12.444 10.900 239 HA PHE 38 HA PHE 38 1.745 -11.302 12.470 240 HB2 PHE 38 1HB PHE 38 1.108 -13.886 10.974 241 HB3 PHE 38 2HB PHE 38 2.757 -13.610 11.497 242 HD1 PHE 38 1HD PHE 38 -0.677 -13.334 12.959 243 HD2 PHE 38 2HD PHE 38 3.346 -14.574 13.496 244 HE1 PHE 38 1HE PHE 38 -1.252 -14.215 15.238 245 HE2 PHE 38 2HE PHE 38 2.770 -15.455 15.775 246 HZ PHE 38 HZ PHE 38 0.478 -15.265 16.619 247 H ALA 39 H ALA 39 3.700 -10.483 11.744 248 HA ALA 39 HA ALA 39 3.798 -9.770 8.963 249 HB1 ALA 39 1HB ALA 39 5.194 -8.134 9.691 250 HB2 ALA 39 2HB ALA 39 4.619 -8.599 11.310 251 HB3 ALA 39 3HB ALA 39 6.150 -9.258 10.686 252 H THR 40 H THR 40 5.603 -11.893 11.263 253 HA THR 40 HA THR 40 7.499 -12.725 9.322 254 HB THR 40 HB THR 40 8.059 -14.383 11.117 255 HG1 THR 40 1HG THR 40 6.501 -14.675 12.736 256 HG21 THR 40 1HG2 THR 40 7.549 -11.488 11.790 257 HG22 THR 40 2HG2 THR 40 7.865 -12.598 13.146 258 HG23 THR 40 3HG2 THR 40 9.072 -12.407 11.852 259 H GLU 41 H GLU 41 6.095 -13.144 7.471 260 HA GLU 41 HA GLU 41 5.780 -15.789 7.021 261 HB2 GLU 41 1HB GLU 41 3.195 -15.939 7.015 262 HB3 GLU 41 2HB GLU 41 4.009 -16.087 8.559 263 HG2 GLU 41 1HG GLU 41 2.947 -14.253 9.366 264 HG3 GLU 41 2HG GLU 41 3.516 -13.275 8.027 265 H THR 42 H THR 42 5.316 -16.140 4.812 266 HA THR 42 HA THR 42 5.515 -13.938 3.118 267 HB THR 42 HB THR 42 4.380 -16.700 2.458 268 HG1 THR 42 1HG THR 42 6.451 -17.395 2.903 269 HG21 THR 42 1HG2 THR 42 5.683 -16.384 0.370 270 HG22 THR 42 2HG2 THR 42 4.528 -15.044 0.561 271 HG23 THR 42 3HG2 THR 42 6.248 -14.798 0.946 272 H LEU 43 H LEU 43 3.964 -13.237 1.420 273 HA LEU 43 HA LEU 43 1.289 -13.077 2.618 274 HB2 LEU 43 1HB LEU 43 2.914 -11.147 0.986 275 HB3 LEU 43 2HB LEU 43 1.170 -11.010 1.080 276 HG LEU 43 HG LEU 43 3.077 -10.915 3.435 277 HD11 LEU 43 1HD1 LEU 43 3.436 -8.835 2.668 278 HD12 LEU 43 2HD1 LEU 43 1.986 -8.849 1.635 279 HD13 LEU 43 3HD1 LEU 43 1.838 -8.495 3.373 280 HD21 LEU 43 1HD2 LEU 43 0.296 -11.510 3.352 281 HD22 LEU 43 2HD2 LEU 43 1.346 -11.274 4.769 282 HD23 LEU 43 3HD2 LEU 43 0.490 -9.886 4.054 283 H SER 44 H SER 44 -0.276 -14.222 1.626 284 HA SER 44 HA SER 44 0.313 -15.402 -0.892 285 HB2 SER 44 1HB SER 44 -1.485 -15.877 1.307 286 HB3 SER 44 2HB SER 44 -2.451 -15.751 -0.149 287 HG SER 44 HG SER 44 -1.593 -17.945 0.380 288 H SER 45 H SER 45 -1.390 -12.573 0.334 289 HA SER 45 HA SER 45 -2.183 -12.000 -2.403 290 HB2 SER 45 1HB SER 45 -4.200 -10.754 -1.159 291 HB3 SER 45 2HB SER 45 -4.318 -12.435 -1.640 292 HG SER 45 HG SER 45 -3.349 -12.829 0.641 293 HA PRO 46 HA PRO 46 -0.513 -8.079 -1.521 294 HB2 PRO 46 1HB PRO 46 -2.002 -6.372 -3.050 295 HB3 PRO 46 2HB PRO 46 -0.720 -7.372 -3.702 296 HG2 PRO 46 1HG PRO 46 -3.645 -7.723 -3.937 297 HG3 PRO 46 2HG PRO 46 -2.373 -8.437 -4.907 298 HD2 PRO 46 1HD PRO 46 -3.883 -9.728 -2.839 299 HD3 PRO 46 2HD PRO 46 -2.534 -10.405 -3.729 300 HA PRO 47 HA PRO 47 -2.643 -6.323 1.717 301 HB2 PRO 47 1HB PRO 47 -0.856 -4.394 2.463 302 HB3 PRO 47 2HB PRO 47 -0.727 -6.067 2.969 303 HG2 PRO 47 1HG PRO 47 0.859 -4.618 0.939 304 HG3 PRO 47 2HG PRO 47 1.232 -6.124 1.754 305 HD2 PRO 47 1HD PRO 47 0.277 -5.817 -0.934 306 HD3 PRO 47 2HD PRO 47 0.540 -7.325 -0.080 307 H LEU 48 H LEU 48 -4.220 -4.835 2.100 308 HA LEU 48 HA LEU 48 -4.485 -2.933 -0.081 309 HB2 LEU 48 1HB LEU 48 -6.489 -3.324 2.107 310 HB3 LEU 48 2HB LEU 48 -6.735 -2.818 0.448 311 HG LEU 48 HG LEU 48 -5.640 -5.535 0.678 312 HD11 LEU 48 1HD1 LEU 48 -6.921 -5.711 2.674 313 HD12 LEU 48 2HD1 LEU 48 -8.313 -4.884 1.936 314 HD13 LEU 48 3HD1 LEU 48 -7.850 -6.511 1.383 315 HD21 LEU 48 1HD2 LEU 48 -6.544 -5.621 -1.343 316 HD22 LEU 48 2HD2 LEU 48 -8.167 -5.396 -0.647 317 HD23 LEU 48 3HD2 LEU 48 -7.197 -3.980 -1.120 318 H VAL 49 H VAL 49 -5.273 -0.666 0.518 319 HA VAL 49 HA VAL 49 -3.358 0.432 2.327 320 HB VAL 49 HB VAL 49 -5.538 1.533 0.566 321 HG11 VAL 49 1HG1 VAL 49 -5.358 2.890 2.672 322 HG12 VAL 49 2HG1 VAL 49 -3.655 3.202 2.262 323 HG13 VAL 49 3HG1 VAL 49 -4.949 3.779 1.185 324 HG21 VAL 49 1HG2 VAL 49 -3.348 2.707 -0.334 325 HG22 VAL 49 2HG2 VAL 49 -2.546 1.336 0.469 326 HG23 VAL 49 3HG2 VAL 49 -3.753 1.039 -0.806 327 H CYS 50 H CYS 50 -3.763 -0.220 4.445 328 HA CYS 50 HA CYS 50 -6.247 -0.477 5.585 329 HB2 CYS 50 1HB CYS 50 -3.819 -1.073 6.441 330 HB3 CYS 50 2HB CYS 50 -3.931 0.482 7.241 331 HG CYS 50 HG CYS 50 -4.620 -1.165 9.038 332 H PHE 51 H PHE 51 -3.947 2.343 5.614 333 HA PHE 51 HA PHE 51 -6.206 4.134 5.671 334 HB2 PHE 51 1HB PHE 51 -5.942 3.886 8.051 335 HB3 PHE 51 2HB PHE 51 -4.213 3.632 7.920 336 HD1 PHE 51 2HD PHE 51 -2.686 5.524 7.730 337 HD2 PHE 51 1HD PHE 51 -6.870 6.129 8.096 338 HE1 PHE 51 2HE PHE 51 -2.287 7.936 8.296 339 HE2 PHE 51 1HE PHE 51 -6.472 8.541 8.663 340 HZ PHE 51 HZ PHE 51 -4.185 9.416 8.756 341 H ILE 52 H ILE 52 -5.388 6.500 5.589 342 HA ILE 52 HA ILE 52 -2.720 6.640 4.408 343 HB ILE 52 HB ILE 52 -5.318 7.253 3.081 344 HG12 ILE 52 1HG1 ILE 52 -2.703 6.343 1.870 345 HG13 ILE 52 2HG1 ILE 52 -3.805 5.221 2.644 346 HG21 ILE 52 1HG2 ILE 52 -4.330 9.445 3.150 347 HG22 ILE 52 2HG2 ILE 52 -2.758 8.804 2.616 348 HG23 ILE 52 3HG2 ILE 52 -4.150 8.783 1.507 349 HD11 ILE 52 1HD1 ILE 52 -5.631 5.916 1.114 350 HD12 ILE 52 2HD1 ILE 52 -4.539 7.093 0.345 351 HD13 ILE 52 3HD1 ILE 52 -4.214 5.349 0.197 352 H GLU 53 H GLU 53 -1.698 8.693 4.649 353 HA GLU 53 HA GLU 53 -2.694 10.093 6.915 354 HB2 GLU 53 1HB GLU 53 -0.181 10.054 5.295 355 HB3 GLU 53 2HB GLU 53 -0.537 11.563 6.112 356 HG2 GLU 53 1HG GLU 53 -1.084 9.514 8.017 357 HG3 GLU 53 2HG GLU 53 0.416 9.046 7.241 358 HA PRO 54 HA PRO 54 -4.716 13.217 4.665 359 HB2 PRO 54 1HB PRO 54 -5.119 15.036 6.665 360 HB3 PRO 54 2HB PRO 54 -6.151 13.642 6.415 361 HG2 PRO 54 1HG PRO 54 -4.093 14.076 8.492 362 HG3 PRO 54 2HG PRO 54 -5.403 12.912 8.471 363 HD2 PRO 54 1HD PRO 54 -2.633 12.386 7.948 364 HD3 PRO 54 2HD PRO 54 -3.959 11.249 7.814 365 H ASP 55 H ASP 55 -3.940 14.499 3.123 366 HA ASP 55 HA ASP 55 -2.856 16.200 2.278 367 HB2 ASP 55 1HB ASP 55 -2.935 16.965 4.972 368 HB3 ASP 55 2HB ASP 55 -1.221 17.009 4.611 369 H SER 56 H SER 56 -1.797 13.358 3.112 370 HA SER 56 HA SER 56 1.021 13.792 3.268 371 HB2 SER 56 1HB SER 56 1.104 11.625 3.968 372 HB3 SER 56 2HB SER 56 -0.634 11.781 4.128 373 HG SER 56 HG SER 56 -0.804 10.241 2.664 374 HA PRO 57 HA PRO 57 1.943 13.101 -0.943 375 HB2 PRO 57 1HB PRO 57 3.880 11.176 -1.052 376 HB3 PRO 57 2HB PRO 57 4.206 12.839 -0.606 377 HG2 PRO 57 1HG PRO 57 4.054 10.451 1.130 378 HG3 PRO 57 2HG PRO 57 4.780 12.009 1.468 379 HD2 PRO 57 1HD PRO 57 2.262 11.042 2.443 380 HD3 PRO 57 2HD PRO 57 2.936 12.641 2.686 381 H ALA 58 H ALA 58 1.487 9.967 0.583 382 HA ALA 58 HA ALA 58 0.880 8.589 -1.754 383 HB1 ALA 58 1HB ALA 58 -0.626 7.675 0.569 384 HB2 ALA 58 2HB ALA 58 0.733 6.897 -0.277 385 HB3 ALA 58 3HB ALA 58 1.048 8.088 1.007 386 H GLU 59 H GLU 59 -1.016 10.808 0.283 387 HA GLU 59 HA GLU 59 -3.456 10.054 -1.001 388 HB2 GLU 59 1HB GLU 59 -3.452 10.747 1.367 389 HB3 GLU 59 2HB GLU 59 -2.792 12.312 0.940 390 HG2 GLU 59 1HG GLU 59 -5.194 12.567 1.238 391 HG3 GLU 59 2HG GLU 59 -4.837 12.760 -0.467 392 H ARG 60 H ARG 60 -1.007 12.667 -1.169 393 HA ARG 60 HA ARG 60 -2.381 14.483 -2.634 394 HB2 ARG 60 1HB ARG 60 0.518 13.705 -2.388 395 HB3 ARG 60 2HB ARG 60 0.104 14.772 -3.715 396 HG2 ARG 60 1HG ARG 60 -1.297 15.931 -1.617 397 HG3 ARG 60 2HG ARG 60 0.117 15.309 -0.789 398 HD2 ARG 60 1HD ARG 60 1.622 16.533 -2.282 399 HD3 ARG 60 2HD ARG 60 0.296 16.993 -3.331 400 HE ARG 60 HE ARG 60 1.067 18.309 -0.876 401 HH11 ARG 60 2HH2 ARG 60 -1.751 17.488 -2.817 402 HH12 ARG 60 1HH2 ARG 60 -2.702 18.809 -2.226 403 HH21 ARG 60 2HH1 ARG 60 -0.187 20.052 -0.095 404 HH22 ARG 60 1HH1 ARG 60 -1.807 20.278 -0.667 405 H CYS 61 H CYS 61 -0.724 11.468 -3.680 406 HA CYS 61 HA CYS 61 -0.838 11.945 -6.421 407 HB2 CYS 61 1HB CYS 61 -0.538 9.490 -4.714 408 HB3 CYS 61 2HB CYS 61 -0.821 9.304 -6.433 409 HG CYS 61 HG CYS 61 1.803 9.252 -5.510 410 H GLY 62 H GLY 62 -3.207 10.905 -3.992 411 HA2 GLY 62 1HA GLY 62 -5.463 10.794 -4.150 412 HA3 GLY 62 2HA GLY 62 -5.370 11.255 -5.838 413 H LEU 63 H LEU 63 -3.898 9.312 -7.085 414 HA LEU 63 HA LEU 63 -5.588 7.329 -7.642 415 HB2 LEU 63 1HB LEU 63 -2.633 7.595 -7.720 416 HB3 LEU 63 2HB LEU 63 -3.284 5.983 -7.937 417 HG LEU 63 HG LEU 63 -4.328 8.286 -9.575 418 HD11 LEU 63 1HD1 LEU 63 -2.632 8.194 -11.125 419 HD12 LEU 63 2HD1 LEU 63 -1.724 7.988 -9.608 420 HD13 LEU 63 3HD1 LEU 63 -2.101 6.572 -10.619 421 HD21 LEU 63 1HD2 LEU 63 -5.195 5.730 -9.366 422 HD22 LEU 63 2HD2 LEU 63 -5.368 6.731 -10.828 423 HD23 LEU 63 3HD2 LEU 63 -4.027 5.568 -10.700 424 H LEU 64 H LEU 64 -3.056 7.170 -5.046 425 HA LEU 64 HA LEU 64 -3.900 4.629 -4.156 426 HB2 LEU 64 1HB LEU 64 -1.648 5.535 -3.838 427 HB3 LEU 64 2HB LEU 64 -2.283 6.778 -2.779 428 HG LEU 64 HG LEU 64 -3.200 4.391 -1.648 429 HD11 LEU 64 1HD1 LEU 64 -1.572 3.252 -3.220 430 HD12 LEU 64 2HD1 LEU 64 -0.269 4.031 -2.291 431 HD13 LEU 64 3HD1 LEU 64 -1.377 2.893 -1.487 432 HD21 LEU 64 1HD2 LEU 64 -2.014 6.661 -0.801 433 HD22 LEU 64 2HD2 LEU 64 -2.227 5.214 0.213 434 HD23 LEU 64 3HD2 LEU 64 -0.669 5.513 -0.595 435 H GLN 65 H GLN 65 -5.225 4.023 -2.409 436 HA GLN 65 HA GLN 65 -6.380 5.947 -0.733 437 HB2 GLN 65 1HB GLN 65 -7.885 5.154 -3.198 438 HB3 GLN 65 2HB GLN 65 -8.806 5.200 -1.708 439 HG2 GLN 65 1HG GLN 65 -7.383 7.559 -1.509 440 HG3 GLN 65 2HG GLN 65 -7.578 7.439 -3.247 441 HE21 GLN 65 1HE2 GLN 65 -9.349 7.180 -0.185 442 HE22 GLN 65 2HE2 GLN 65 -10.861 7.817 -0.743 443 H VAL 66 H VAL 66 -8.104 4.883 0.726 444 HA VAL 66 HA VAL 66 -7.119 2.412 1.595 445 HB VAL 66 HB VAL 66 -9.568 4.054 2.205 446 HG11 VAL 66 1HG1 VAL 66 -9.150 1.243 2.792 447 HG12 VAL 66 2HG1 VAL 66 -9.241 2.201 4.290 448 HG13 VAL 66 3HG1 VAL 66 -10.568 2.272 3.106 449 HG21 VAL 66 1HG2 VAL 66 -8.420 4.456 4.334 450 HG22 VAL 66 2HG2 VAL 66 -7.079 3.403 3.821 451 HG23 VAL 66 3HG2 VAL 66 -7.394 4.927 2.957 452 H GLY 67 H GLY 67 -7.615 0.329 1.066 453 HA2 GLY 67 1HA GLY 67 -9.264 -1.294 0.469 454 HA3 GLY 67 2HA GLY 67 -10.033 -0.112 -0.571 455 H ASP 68 H ASP 68 -7.386 0.941 -1.593 456 HA ASP 68 HA ASP 68 -7.223 -0.411 -3.894 457 HB2 ASP 68 1HB ASP 68 -5.059 1.035 -2.312 458 HB3 ASP 68 2HB ASP 68 -4.758 0.428 -3.927 459 H ARG 69 H ARG 69 -5.011 -1.630 -4.644 460 HA ARG 69 HA ARG 69 -4.346 -3.537 -2.550 461 HB2 ARG 69 1HB ARG 69 -4.956 -4.101 -5.493 462 HB3 ARG 69 2HB ARG 69 -4.214 -5.281 -4.432 463 HG2 ARG 69 1HG ARG 69 -6.324 -5.910 -3.864 464 HG3 ARG 69 2HG ARG 69 -6.409 -4.428 -2.932 465 HD2 ARG 69 1HD ARG 69 -8.332 -4.365 -4.357 466 HD3 ARG 69 2HD ARG 69 -7.193 -3.255 -5.094 467 HE ARG 69 HE ARG 69 -6.612 -5.684 -6.312 468 HH11 ARG 69 2HH2 ARG 69 -9.533 -3.761 -5.922 469 HH12 ARG 69 1HH2 ARG 69 -10.249 -4.316 -7.398 470 HH21 ARG 69 2HH1 ARG 69 -7.556 -6.417 -8.260 471 HH22 ARG 69 1HH1 ARG 69 -9.117 -5.837 -8.737 472 H VAL 70 H VAL 70 -2.145 -3.633 -2.196 473 HA VAL 70 HA VAL 70 -0.426 -2.348 -4.155 474 HB VAL 70 HB VAL 70 -0.008 -3.311 -1.321 475 HG11 VAL 70 1HG1 VAL 70 1.964 -3.051 -3.274 476 HG12 VAL 70 2HG1 VAL 70 2.037 -1.516 -2.375 477 HG13 VAL 70 3HG1 VAL 70 2.208 -3.063 -1.511 478 HG21 VAL 70 1HG2 VAL 70 -0.829 -0.761 -2.559 479 HG22 VAL 70 2HG2 VAL 70 -1.074 -1.369 -0.904 480 HG23 VAL 70 3HG2 VAL 70 0.475 -0.616 -1.355 481 H LEU 71 H LEU 71 0.423 -3.564 -5.758 482 HA LEU 71 HA LEU 71 0.526 -6.419 -5.455 483 HB2 LEU 71 1HB LEU 71 1.378 -4.602 -7.713 484 HB3 LEU 71 2HB LEU 71 1.346 -6.353 -7.780 485 HG LEU 71 HG LEU 71 -0.969 -4.429 -7.661 486 HD11 LEU 71 1HD1 LEU 71 -1.231 -4.935 -9.807 487 HD12 LEU 71 2HD1 LEU 71 0.324 -5.798 -9.731 488 HD13 LEU 71 3HD1 LEU 71 -1.198 -6.681 -9.465 489 HD21 LEU 71 1HD2 LEU 71 -0.921 -7.300 -6.781 490 HD22 LEU 71 2HD2 LEU 71 -1.738 -5.898 -6.050 491 HD23 LEU 71 3HD2 LEU 71 -2.373 -6.617 -7.549 492 H SER 72 H SER 72 2.929 -3.756 -6.037 493 HA SER 72 HA SER 72 4.803 -5.334 -4.501 494 HB2 SER 72 1HB SER 72 6.606 -4.919 -6.191 495 HB3 SER 72 2HB SER 72 5.336 -5.969 -6.788 496 HG SER 72 HG SER 72 4.367 -3.999 -7.784 497 H ILE 73 H ILE 73 6.873 -3.918 -4.055 498 HA ILE 73 HA ILE 73 6.107 -1.089 -3.964 499 HB ILE 73 HB ILE 73 7.294 -2.699 -1.700 500 HG12 ILE 73 1HG1 ILE 73 4.569 -1.387 -1.905 501 HG13 ILE 73 2HG1 ILE 73 4.865 -3.099 -2.136 502 HG21 ILE 73 1HG2 ILE 73 6.381 0.156 -1.496 503 HG22 ILE 73 2HG2 ILE 73 7.500 -0.758 -0.457 504 HG23 ILE 73 3HG2 ILE 73 8.018 -0.230 -2.076 505 HD11 ILE 73 1HD1 ILE 73 4.172 -2.765 0.169 506 HD12 ILE 73 2HD1 ILE 73 5.905 -3.172 0.180 507 HD13 ILE 73 3HD1 ILE 73 5.386 -1.484 0.399 508 H ASN 74 H ASN 74 7.520 -0.032 -5.245 509 HA ASN 74 HA ASN 74 9.406 0.704 -6.033 510 HB2 ASN 74 1HB ASN 74 10.221 -0.399 -3.484 511 HB3 ASN 74 2HB ASN 74 11.458 -0.813 -4.655 512 HD21 ASN 74 1HD2 ASN 74 11.748 0.957 -2.472 513 HD22 ASN 74 2HD2 ASN 74 12.105 2.543 -3.070 514 H GLY 75 H GLY 75 8.131 -2.179 -6.499 515 HA2 GLY 75 1HA GLY 75 8.556 -3.376 -8.501 516 HA3 GLY 75 2HA GLY 75 10.276 -3.111 -8.293 517 H ILE 76 H ILE 76 8.952 -3.727 -5.229 518 HA ILE 76 HA ILE 76 9.845 -6.505 -5.409 519 HB ILE 76 HB ILE 76 9.445 -4.751 -2.984 520 HG12 ILE 76 1HG1 ILE 76 11.269 -4.122 -4.746 521 HG13 ILE 76 2HG1 ILE 76 11.657 -4.132 -3.037 522 HG21 ILE 76 1HG2 ILE 76 11.093 -6.608 -2.097 523 HG22 ILE 76 2HG2 ILE 76 9.332 -6.865 -2.112 524 HG23 ILE 76 3HG2 ILE 76 10.345 -7.574 -3.392 525 HD11 ILE 76 1HD1 ILE 76 13.110 -5.881 -3.250 526 HD12 ILE 76 2HD1 ILE 76 12.016 -6.773 -4.335 527 HD13 ILE 76 3HD1 ILE 76 13.070 -5.494 -4.987 528 H ALA 77 H ALA 77 8.262 -7.962 -5.768 529 HA ALA 77 HA ALA 77 5.546 -7.355 -5.371 530 HB1 ALA 77 1HB ALA 77 7.212 -9.699 -6.176 531 HB2 ALA 77 2HB ALA 77 5.571 -10.049 -5.581 532 HB3 ALA 77 3HB ALA 77 5.800 -8.970 -6.978 533 H THR 78 H THR 78 4.514 -7.144 -3.454 534 HA THR 78 HA THR 78 5.659 -7.952 -1.022 535 HB THR 78 HB THR 78 3.543 -7.131 -0.107 536 HG1 THR 78 1HG THR 78 2.654 -7.258 -2.896 537 HG21 THR 78 1HG2 THR 78 4.937 -5.662 -2.181 538 HG22 THR 78 2HG2 THR 78 3.191 -5.360 -2.350 539 HG23 THR 78 3HG2 THR 78 4.010 -5.009 -0.809 540 H GLU 79 H GLU 79 4.048 -9.772 -3.470 541 HA GLU 79 HA GLU 79 3.023 -11.703 -1.635 542 HB2 GLU 79 1HB GLU 79 3.316 -11.836 -4.669 543 HB3 GLU 79 2HB GLU 79 2.375 -12.940 -3.686 544 HG2 GLU 79 1HG GLU 79 1.761 -10.037 -3.299 545 HG3 GLU 79 2HG GLU 79 1.343 -10.690 -4.871 546 H ASP 80 H ASP 80 6.068 -10.966 -3.082 547 HA ASP 80 HA ASP 80 6.924 -13.727 -2.852 548 HB2 ASP 80 1HB ASP 80 8.066 -11.242 -4.168 549 HB3 ASP 80 2HB ASP 80 9.117 -12.601 -3.821 550 H GLY 81 H GLY 81 6.298 -11.798 -0.565 551 HA2 GLY 81 1HA GLY 81 8.754 -12.206 0.924 552 HA3 GLY 81 2HA GLY 81 8.320 -10.529 0.656 553 H THR 82 H THR 82 8.118 -10.455 3.068 554 HA THR 82 HA THR 82 5.547 -11.595 3.948 555 HB THR 82 HB THR 82 6.565 -11.655 6.192 556 HG1 THR 82 1HG THR 82 7.998 -9.932 6.264 557 HG21 THR 82 1HG2 THR 82 8.359 -13.242 5.874 558 HG22 THR 82 2HG2 THR 82 7.255 -13.501 4.503 559 HG23 THR 82 3HG2 THR 82 8.757 -12.573 4.274 560 H MET 83 H MET 83 4.217 -10.299 5.369 561 HA MET 83 HA MET 83 3.564 -7.924 4.439 562 HB2 MET 83 1HB MET 83 2.761 -9.439 6.548 563 HB3 MET 83 2HB MET 83 3.603 -8.200 7.456 564 HG2 MET 83 1HG MET 83 1.359 -7.702 5.439 565 HG3 MET 83 2HG MET 83 1.193 -7.636 7.182 566 HE1 MET 83 1HE MET 83 0.939 -5.941 4.500 567 HE2 MET 83 2HE MET 83 1.250 -4.247 4.952 568 HE3 MET 83 3HE MET 83 2.476 -5.166 4.046 569 H GLU 84 H GLU 84 5.722 -8.271 7.356 570 HA GLU 84 HA GLU 84 6.323 -5.699 7.738 571 HB2 GLU 84 1HB GLU 84 7.251 -8.093 8.715 572 HB3 GLU 84 2HB GLU 84 8.683 -7.514 7.888 573 HG2 GLU 84 1HG GLU 84 7.530 -5.286 9.319 574 HG3 GLU 84 2HG GLU 84 7.611 -6.647 10.421 575 H GLU 85 H GLU 85 8.169 -7.947 5.551 576 HA GLU 85 HA GLU 85 10.059 -6.337 4.642 577 HB2 GLU 85 1HB GLU 85 8.643 -8.659 3.646 578 HB3 GLU 85 2HB GLU 85 8.992 -7.593 2.299 579 HG2 GLU 85 1HG GLU 85 11.233 -7.977 4.244 580 HG3 GLU 85 2HG GLU 85 10.786 -9.399 3.323 581 H ALA 86 H ALA 86 6.702 -6.473 3.246 582 HA ALA 86 HA ALA 86 6.985 -4.534 1.340 583 HB1 ALA 86 1HB ALA 86 4.755 -4.855 1.111 584 HB2 ALA 86 2HB ALA 86 4.950 -6.089 2.379 585 HB3 ALA 86 3HB ALA 86 4.429 -4.443 2.812 586 H ASN 87 H ASN 87 6.110 -4.140 4.837 587 HA ASN 87 HA ASN 87 5.806 -1.399 4.700 588 HB2 ASN 87 1HB ASN 87 6.328 -3.424 6.876 589 HB3 ASN 87 2HB ASN 87 6.595 -1.741 7.287 590 HD21 ASN 87 1HD2 ASN 87 4.357 -4.214 6.961 591 HD22 ASN 87 2HD2 ASN 87 2.881 -3.315 7.081 592 H GLN 88 H GLN 88 8.603 -3.511 5.685 593 HA GLN 88 HA GLN 88 10.359 -1.580 6.405 594 HB2 GLN 88 1HB GLN 88 10.822 -3.955 6.711 595 HB3 GLN 88 2HB GLN 88 10.857 -4.227 4.980 596 HG2 GLN 88 1HG GLN 88 13.119 -3.955 5.204 597 HG3 GLN 88 2HG GLN 88 12.745 -2.243 5.188 598 HE21 GLN 88 1HE2 GLN 88 13.348 -1.050 6.834 599 HE22 GLN 88 2HE2 GLN 88 13.839 -1.605 8.400 600 H LEU 89 H LEU 89 9.357 -2.603 3.135 601 HA LEU 89 HA LEU 89 11.441 -1.347 1.738 602 HB2 LEU 89 1HB LEU 89 8.726 -2.402 1.085 603 HB3 LEU 89 2HB LEU 89 9.530 -1.376 -0.086 604 HG LEU 89 HG LEU 89 10.790 -3.872 1.074 605 HD11 LEU 89 1HD1 LEU 89 8.830 -4.623 -0.051 606 HD12 LEU 89 2HD1 LEU 89 9.124 -3.537 -1.430 607 HD13 LEU 89 3HD1 LEU 89 10.209 -4.917 -1.137 608 HD21 LEU 89 1HD2 LEU 89 11.490 -2.319 -1.431 609 HD22 LEU 89 2HD2 LEU 89 12.319 -2.144 0.135 610 HD23 LEU 89 3HD2 LEU 89 12.367 -3.700 -0.729 611 H LEU 90 H LEU 90 8.128 -0.260 2.710 612 HA LEU 90 HA LEU 90 8.238 2.220 1.479 613 HB2 LEU 90 1HB LEU 90 6.699 0.982 3.702 614 HB3 LEU 90 2HB LEU 90 6.654 2.729 3.568 615 HG LEU 90 HG LEU 90 4.837 1.263 2.402 616 HD11 LEU 90 1HD1 LEU 90 6.218 3.677 1.242 617 HD12 LEU 90 2HD1 LEU 90 4.768 2.974 0.486 618 HD13 LEU 90 3HD1 LEU 90 4.695 3.582 2.157 619 HD21 LEU 90 1HD2 LEU 90 5.280 0.500 0.205 620 HD22 LEU 90 2HD2 LEU 90 6.887 1.265 0.180 621 HD23 LEU 90 3HD2 LEU 90 6.587 -0.140 1.230 622 H ARG 91 H ARG 91 9.794 0.983 4.403 623 HA ARG 91 HA ARG 91 10.316 3.533 5.468 624 HB2 ARG 91 1HB ARG 91 10.652 0.805 6.262 625 HB3 ARG 91 2HB ARG 91 12.254 1.514 6.309 626 HG2 ARG 91 1HG ARG 91 11.129 3.497 7.596 627 HG3 ARG 91 2HG ARG 91 9.765 2.417 7.806 628 HD2 ARG 91 1HD ARG 91 11.082 0.820 9.051 629 HD3 ARG 91 2HD ARG 91 12.591 1.566 8.563 630 HE ARG 91 HE ARG 91 10.915 3.464 9.976 631 HH11 ARG 91 2HH2 ARG 91 13.081 0.734 10.469 632 HH12 ARG 91 1HH2 ARG 91 13.519 1.209 12.077 633 HH21 ARG 91 2HH1 ARG 91 11.493 4.090 12.096 634 HH22 ARG 91 1HH1 ARG 91 12.609 3.130 13.008 635 H ASP 92 H ASP 92 12.363 1.023 3.799 636 HA ASP 92 HA ASP 92 14.654 2.532 3.722 637 HB2 ASP 92 1HB ASP 92 13.967 0.007 2.969 638 HB3 ASP 92 2HB ASP 92 14.022 0.753 1.384 639 H ALA 93 H ALA 93 11.786 2.337 1.557 640 HA ALA 93 HA ALA 93 12.823 3.740 -0.615 641 HB1 ALA 93 1HB ALA 93 10.507 3.964 -1.279 642 HB2 ALA 93 2HB ALA 93 10.709 2.369 -0.515 643 HB3 ALA 93 3HB ALA 93 9.952 3.700 0.392 644 H ALA 94 H ALA 94 11.390 4.792 2.499 645 HA ALA 94 HA ALA 94 11.082 7.492 1.798 646 HB1 ALA 94 1HB ALA 94 11.467 6.071 4.462 647 HB2 ALA 94 2HB ALA 94 11.028 7.789 4.300 648 HB3 ALA 94 3HB ALA 94 9.927 6.527 3.695 649 H LEU 95 H LEU 95 13.813 5.557 3.109 650 HA LEU 95 HA LEU 95 15.451 7.769 3.688 651 HB2 LEU 95 1HB LEU 95 16.298 4.951 3.018 652 HB3 LEU 95 2HB LEU 95 17.212 6.151 3.910 653 HG LEU 95 HG LEU 95 14.555 5.103 4.895 654 HD11 LEU 95 1HD1 LEU 95 16.914 3.993 6.216 655 HD12 LEU 95 2HD1 LEU 95 15.428 3.194 5.647 656 HD13 LEU 95 3HD1 LEU 95 16.767 3.494 4.513 657 HD21 LEU 95 1HD2 LEU 95 16.398 5.810 6.959 658 HD22 LEU 95 2HD2 LEU 95 16.325 7.142 5.780 659 HD23 LEU 95 3HD2 LEU 95 14.832 6.551 6.548 660 H ALA 96 H ALA 96 14.298 6.489 0.729 661 HA ALA 96 HA ALA 96 16.641 7.444 -0.734 662 HB1 ALA 96 1HB ALA 96 14.499 5.451 -1.156 663 HB2 ALA 96 2HB ALA 96 14.866 6.443 -2.588 664 HB3 ALA 96 3HB ALA 96 16.157 5.503 -1.802 665 H HIS 97 H HIS 97 13.637 8.512 0.484 666 HA HIS 97 HA HIS 97 12.491 10.361 0.195 667 HB2 HIS 97 1HB HIS 97 15.038 11.037 -1.171 668 HB3 HIS 97 2HB HIS 97 13.664 12.044 -1.583 669 HD1 HIS 97 1HD HIS 97 12.613 13.511 0.337 670 HD2 HIS 97 2HD HIS 97 16.044 11.364 1.438 671 HE1 HIS 97 1HE HIS 97 13.396 14.503 2.554 672 H LYS 98 H LYS 98 12.702 7.927 -1.874 673 HA LYS 98 HA LYS 98 10.536 8.933 -3.481 674 HB2 LYS 98 1HB LYS 98 12.660 9.597 -4.695 675 HB3 LYS 98 2HB LYS 98 13.006 7.890 -4.890 676 HG2 LYS 98 1HG LYS 98 10.310 8.139 -5.694 677 HG3 LYS 98 2HG LYS 98 11.079 9.575 -6.338 678 HD2 LYS 98 1HD LYS 98 11.767 8.249 -8.058 679 HD3 LYS 98 2HD LYS 98 12.957 7.616 -6.938 680 HE2 LYS 98 1HE LYS 98 10.470 6.255 -6.413 681 HE3 LYS 98 2HE LYS 98 10.722 6.238 -8.147 682 HZ1 LYS 98 1HZ LYS 98 11.982 4.683 -6.274 683 HZ2 LYS 98 2HZ LYS 98 12.300 4.749 -7.875 684 HZ3 LYS 98 3HZ LYS 98 13.134 5.695 -6.837 685 H VAL 99 H VAL 99 9.137 7.280 -4.113 686 HA VAL 99 HA VAL 99 10.057 4.548 -3.730 687 HB VAL 99 HB VAL 99 9.136 5.433 -1.561 688 HG11 VAL 99 1HG1 VAL 99 7.071 6.386 -3.226 689 HG12 VAL 99 2HG1 VAL 99 6.349 5.085 -2.250 690 HG13 VAL 99 3HG1 VAL 99 7.155 6.455 -1.449 691 HG21 VAL 99 1HG2 VAL 99 8.150 3.391 -1.001 692 HG22 VAL 99 2HG2 VAL 99 7.399 3.199 -2.604 693 HG23 VAL 99 3HG2 VAL 99 9.155 2.982 -2.413 694 H VAL 100 H VAL 100 8.428 2.966 -4.634 695 HA VAL 100 HA VAL 100 6.661 4.241 -6.588 696 HB VAL 100 HB VAL 100 8.931 2.352 -7.075 697 HG11 VAL 100 1HG1 VAL 100 6.243 2.237 -8.353 698 HG12 VAL 100 2HG1 VAL 100 7.655 2.140 -9.432 699 HG13 VAL 100 3HG1 VAL 100 7.458 0.960 -8.114 700 HG21 VAL 100 1HG2 VAL 100 8.732 4.971 -7.537 701 HG22 VAL 100 2HG2 VAL 100 9.621 3.884 -8.631 702 HG23 VAL 100 3HG2 VAL 100 7.964 4.392 -9.035 703 H LEU 101 H LEU 101 4.635 3.425 -6.445 704 HA LEU 101 HA LEU 101 4.382 0.800 -5.150 705 HB2 LEU 101 1HB LEU 101 2.232 2.894 -5.204 706 HB3 LEU 101 2HB LEU 101 2.387 1.500 -4.154 707 HG LEU 101 HG LEU 101 2.840 3.418 -2.839 708 HD11 LEU 101 1HD1 LEU 101 4.993 2.959 -1.951 709 HD12 LEU 101 2HD1 LEU 101 4.356 1.419 -2.576 710 HD13 LEU 101 3HD1 LEU 101 5.578 2.320 -3.506 711 HD21 LEU 101 1HD2 LEU 101 4.134 5.247 -3.400 712 HD22 LEU 101 2HD2 LEU 101 5.096 4.340 -4.593 713 HD23 LEU 101 3HD2 LEU 101 3.419 4.804 -4.969 714 H GLU 102 H GLU 102 2.684 -0.625 -5.958 715 HA GLU 102 HA GLU 102 1.892 0.076 -8.673 716 HB2 GLU 102 1HB GLU 102 3.765 -1.524 -8.784 717 HB3 GLU 102 2HB GLU 102 2.932 -2.620 -7.699 718 HG2 GLU 102 1HG GLU 102 1.368 -3.272 -9.316 719 HG3 GLU 102 2HG GLU 102 1.470 -1.755 -10.187 720 H VAL 103 H VAL 103 -0.305 0.251 -8.708 721 HA VAL 103 HA VAL 103 -1.807 -1.430 -6.838 722 HB VAL 103 HB VAL 103 -3.088 0.778 -8.354 723 HG11 VAL 103 1HG1 VAL 103 -4.168 1.152 -6.141 724 HG12 VAL 103 2HG1 VAL 103 -4.395 -0.500 -6.764 725 HG13 VAL 103 3HG1 VAL 103 -3.204 -0.189 -5.478 726 HG21 VAL 103 1HG2 VAL 103 -0.910 1.201 -6.306 727 HG22 VAL 103 2HG2 VAL 103 -1.143 1.999 -7.880 728 HG23 VAL 103 3HG2 VAL 103 -2.226 2.381 -6.520 729 H GLU 104 H GLU 104 -3.696 -2.585 -7.598 730 HA GLU 104 HA GLU 104 -3.511 -3.111 -10.461 731 HB2 GLU 104 1HB GLU 104 -2.948 -4.956 -8.662 732 HB3 GLU 104 2HB GLU 104 -4.686 -5.069 -8.471 733 HG2 GLU 104 1HG GLU 104 -4.568 -5.151 -11.186 734 HG3 GLU 104 2HG GLU 104 -2.980 -5.804 -10.834 735 H PHE 105 H PHE 105 -5.472 -3.287 -11.679 736 HA PHE 105 HA PHE 105 -8.005 -3.254 -10.509 737 HB2 PHE 105 1HB PHE 105 -8.525 -0.822 -11.190 738 HB3 PHE 105 2HB PHE 105 -7.449 -0.965 -9.815 739 HD1 PHE 105 2HD PHE 105 -7.227 -0.765 -13.542 740 HD2 PHE 105 1HD PHE 105 -5.573 0.369 -9.802 741 HE1 PHE 105 2HE PHE 105 -5.528 0.655 -14.723 742 HE2 PHE 105 1HE PHE 105 -3.874 1.789 -10.983 743 HZ PHE 105 HZ PHE 105 -3.872 1.915 -13.430 744 H ASP 106 H ASP 106 -9.746 -2.967 -12.167 745 HA ASP 106 HA ASP 106 -8.671 -3.750 -14.737 746 HB2 ASP 106 1HB ASP 106 -11.513 -3.826 -13.618 747 HB3 ASP 106 2HB ASP 106 -11.062 -4.415 -15.205 748 H SER 107 H SER 107 -9.154 -0.905 -13.319 749 HA SER 107 HA SER 107 -9.639 1.114 -13.944 750 HB2 SER 107 1HB SER 107 -9.363 1.755 -16.196 751 HB3 SER 107 2HB SER 107 -8.445 0.267 -16.091 752 HG SER 107 HG SER 107 -10.889 0.799 -17.433 753 H GLY 108 H GLY 108 -11.612 1.473 -12.891 754 HA2 GLY 108 1HA GLY 108 -13.877 2.112 -14.234 755 HA3 GLY 108 2HA GLY 108 -14.071 0.395 -13.939 756 HA PRO 109 HA PRO 109 -15.579 2.239 -10.157 757 HB2 PRO 109 1HB PRO 109 -17.610 0.461 -9.730 758 HB3 PRO 109 2HB PRO 109 -17.814 1.950 -10.631 759 HG2 PRO 109 1HG PRO 109 -17.629 -0.820 -11.647 760 HG3 PRO 109 2HG PRO 109 -18.246 0.607 -12.456 761 HD2 PRO 109 1HD PRO 109 -15.703 -0.647 -12.890 762 HD3 PRO 109 2HD PRO 109 -16.273 0.844 -13.613 763 H SER 110 H SER 110 -15.457 1.720 -7.922 764 HA SER 110 HA SER 110 -14.730 -0.940 -7.294 765 HB2 SER 110 1HB SER 110 -12.612 0.677 -8.139 766 HB3 SER 110 2HB SER 110 -12.535 0.819 -6.394 767 HG SER 110 HG SER 110 -12.953 -1.783 -6.876 768 H SER 111 H SER 111 -16.043 -1.110 -5.506 769 HA SER 111 HA SER 111 -15.874 1.094 -3.601 770 HB2 SER 111 1HB SER 111 -18.154 0.148 -4.944 771 HB3 SER 111 2HB SER 111 -18.275 -0.590 -3.359 772 HG SER 111 HG SER 111 -18.548 2.093 -4.110 773 H GLY 112 H GLY 112 -15.977 0.476 -1.300 774 HA2 GLY 112 1HA GLY 112 -14.481 -1.855 -0.718 775 HA3 GLY 112 2HA GLY 112 -15.240 -0.766 0.427 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -1.361 -1.062 -53.453 2 HA2 GLY 1 1HA GLY 1 -3.239 0.789 -52.275 3 HA3 GLY 1 2HA GLY 1 -3.992 -0.535 -53.141 4 H SER 2 H SER 2 -2.441 0.458 -50.209 5 HA SER 2 HA SER 2 -1.390 -1.902 -49.303 6 HB2 SER 2 1HB SER 2 -1.889 0.679 -48.280 7 HB3 SER 2 2HB SER 2 -2.745 -0.388 -47.185 8 HG SER 2 HG SER 2 -0.595 -1.680 -47.265 9 H SER 3 H SER 3 -2.331 -3.303 -47.458 10 HA SER 3 HA SER 3 -5.208 -3.583 -47.791 11 HB2 SER 3 1HB SER 3 -3.845 -5.276 -49.168 12 HB3 SER 3 2HB SER 3 -3.303 -5.954 -47.645 13 HG SER 3 HG SER 3 -5.470 -6.476 -47.098 14 H GLY 4 H GLY 4 -2.320 -4.849 -45.961 15 HA2 GLY 4 1HA GLY 4 -2.013 -5.274 -43.775 16 HA3 GLY 4 2HA GLY 4 -2.984 -3.844 -43.486 17 H SER 5 H SER 5 -3.414 -5.418 -41.503 18 HA SER 5 HA SER 5 -6.053 -6.178 -41.691 19 HB2 SER 5 1HB SER 5 -4.679 -8.103 -42.962 20 HB3 SER 5 2HB SER 5 -4.412 -8.679 -41.329 21 HG SER 5 HG SER 5 -6.699 -8.783 -41.003 22 H SER 6 H SER 6 -6.857 -7.024 -39.574 23 HA SER 6 HA SER 6 -4.838 -7.039 -37.501 24 HB2 SER 6 1HB SER 6 -6.614 -4.833 -37.979 25 HB3 SER 6 2HB SER 6 -7.147 -5.615 -36.505 26 HG SER 6 HG SER 6 -5.497 -4.710 -35.504 27 H GLY 7 H GLY 7 -8.417 -7.187 -38.162 28 HA2 GLY 7 1HA GLY 7 -9.621 -9.211 -37.936 29 HA3 GLY 7 2HA GLY 7 -8.488 -9.751 -36.713 30 H GLY 8 H GLY 8 -9.020 -9.475 -34.576 31 HA2 GLY 8 1HA GLY 8 -11.053 -7.429 -33.937 32 HA3 GLY 8 2HA GLY 8 -11.217 -9.082 -33.379 33 H GLY 9 H GLY 9 -11.182 -8.158 -31.165 34 HA2 GLY 9 1HA GLY 9 -8.501 -8.186 -30.096 35 HA3 GLY 9 2HA GLY 9 -9.292 -6.626 -29.987 36 H GLN 10 H GLN 10 -8.662 -9.332 -28.224 37 HA GLN 10 HA GLN 10 -11.279 -9.375 -26.965 38 HB2 GLN 10 1HB GLN 10 -10.561 -11.469 -25.917 39 HB3 GLN 10 2HB GLN 10 -10.295 -11.558 -27.646 40 HG2 GLN 10 1HG GLN 10 -7.885 -10.908 -27.281 41 HG3 GLN 10 2HG GLN 10 -8.168 -10.905 -25.551 42 HE21 GLN 10 1HE2 GLN 10 -6.841 -12.626 -27.900 43 HE22 GLN 10 2HE2 GLN 10 -7.062 -14.253 -27.349 44 H ILE 11 H ILE 11 -11.430 -9.222 -24.587 45 HA ILE 11 HA ILE 11 -9.416 -7.376 -23.582 46 HB ILE 11 HB ILE 11 -12.244 -8.050 -22.857 47 HG12 ILE 11 1HG1 ILE 11 -11.098 -5.293 -23.096 48 HG13 ILE 11 2HG1 ILE 11 -11.340 -6.227 -24.559 49 HG21 ILE 11 1HG2 ILE 11 -11.850 -6.346 -20.938 50 HG22 ILE 11 2HG2 ILE 11 -11.406 -8.053 -20.698 51 HG23 ILE 11 3HG2 ILE 11 -10.148 -6.849 -21.069 52 HD11 ILE 11 1HD1 ILE 11 -13.333 -4.957 -22.802 53 HD12 ILE 11 2HD1 ILE 11 -13.495 -5.506 -24.488 54 HD13 ILE 11 3HD1 ILE 11 -13.718 -6.660 -23.150 55 H VAL 12 H VAL 12 -7.962 -7.879 -21.997 56 HA VAL 12 HA VAL 12 -8.407 -9.979 -20.161 57 HB VAL 12 HB VAL 12 -7.898 -11.188 -22.342 58 HG11 VAL 12 1HG1 VAL 12 -5.051 -10.319 -21.763 59 HG12 VAL 12 2HG1 VAL 12 -5.643 -11.298 -23.127 60 HG13 VAL 12 3HG1 VAL 12 -6.074 -9.575 -23.015 61 HG21 VAL 12 1HG2 VAL 12 -7.578 -11.977 -19.860 62 HG22 VAL 12 2HG2 VAL 12 -6.917 -12.946 -21.199 63 HG23 VAL 12 3HG2 VAL 12 -5.846 -11.880 -20.257 64 H HIS 13 H HIS 13 -6.213 -10.388 -18.909 65 HA HIS 13 HA HIS 13 -4.607 -9.534 -17.684 66 HB2 HIS 13 1HB HIS 13 -4.002 -8.711 -20.352 67 HB3 HIS 13 2HB HIS 13 -3.574 -7.393 -19.279 68 HD1 HIS 13 1HD HIS 13 -2.561 -10.842 -20.283 69 HD2 HIS 13 2HD HIS 13 -1.529 -8.021 -17.355 70 HE1 HIS 13 1HE HIS 13 -0.352 -11.630 -19.278 71 H THR 14 H THR 14 -4.272 -7.907 -16.091 72 HA THR 14 HA THR 14 -6.427 -5.931 -16.043 73 HB THR 14 HB THR 14 -4.495 -6.668 -13.801 74 HG1 THR 14 1HG THR 14 -6.931 -7.913 -14.861 75 HG21 THR 14 1HG2 THR 14 -5.909 -5.066 -12.870 76 HG22 THR 14 2HG2 THR 14 -7.186 -5.351 -14.077 77 HG23 THR 14 3HG2 THR 14 -6.986 -6.475 -12.712 78 H GLU 15 H GLU 15 -5.792 -3.789 -14.880 79 HA GLU 15 HA GLU 15 -3.506 -2.819 -16.380 80 HB2 GLU 15 1HB GLU 15 -5.901 -1.424 -15.124 81 HB3 GLU 15 2HB GLU 15 -4.530 -0.534 -15.756 82 HG2 GLU 15 1HG GLU 15 -6.338 -0.739 -17.453 83 HG3 GLU 15 2HG GLU 15 -4.863 -1.515 -17.995 84 H THR 16 H THR 16 -1.942 -1.351 -15.340 85 HA THR 16 HA THR 16 -1.935 -1.498 -12.412 86 HB THR 16 HB THR 16 0.639 -1.972 -12.777 87 HG1 THR 16 1HG THR 16 0.907 -3.084 -14.857 88 HG21 THR 16 1HG2 THR 16 -0.210 -4.498 -13.579 89 HG22 THR 16 2HG2 THR 16 -0.186 -3.933 -11.891 90 HG23 THR 16 3HG2 THR 16 -1.686 -3.828 -12.844 91 H THR 17 H THR 17 -0.943 0.235 -11.350 92 HA THR 17 HA THR 17 -0.063 2.407 -13.130 93 HB THR 17 HB THR 17 -2.503 2.543 -12.178 94 HG1 THR 17 1HG THR 17 -0.316 4.440 -11.724 95 HG21 THR 17 1HG2 THR 17 -1.959 1.918 -9.813 96 HG22 THR 17 2HG2 THR 17 -0.838 3.298 -9.718 97 HG23 THR 17 3HG2 THR 17 -2.585 3.582 -9.909 98 H GLU 18 H GLU 18 1.720 3.552 -12.503 99 HA GLU 18 HA GLU 18 2.994 2.483 -10.117 100 HB2 GLU 18 1HB GLU 18 4.190 2.270 -12.323 101 HB3 GLU 18 2HB GLU 18 4.237 4.018 -12.442 102 HG2 GLU 18 1HG GLU 18 5.697 4.231 -10.559 103 HG3 GLU 18 2HG GLU 18 5.341 2.615 -9.984 104 H VAL 19 H VAL 19 2.918 3.736 -8.308 105 HA VAL 19 HA VAL 19 2.475 6.604 -8.692 106 HB VAL 19 HB VAL 19 1.991 4.702 -6.399 107 HG11 VAL 19 1HG1 VAL 19 2.051 6.367 -4.917 108 HG12 VAL 19 2HG1 VAL 19 2.691 7.438 -6.186 109 HG13 VAL 19 3HG1 VAL 19 0.936 7.338 -5.907 110 HG21 VAL 19 1HG2 VAL 19 -0.260 4.928 -6.834 111 HG22 VAL 19 2HG2 VAL 19 -0.068 6.526 -7.594 112 HG23 VAL 19 3HG2 VAL 19 0.402 5.057 -8.482 113 H VAL 20 H VAL 20 3.927 8.135 -7.938 114 HA VAL 20 HA VAL 20 6.354 7.035 -6.696 115 HB VAL 20 HB VAL 20 6.055 9.214 -8.770 116 HG11 VAL 20 1HG1 VAL 20 8.488 9.472 -8.658 117 HG12 VAL 20 2HG1 VAL 20 7.739 9.840 -7.086 118 HG13 VAL 20 3HG1 VAL 20 8.565 8.284 -7.335 119 HG21 VAL 20 1HG2 VAL 20 7.963 7.290 -9.548 120 HG22 VAL 20 2HG2 VAL 20 6.572 6.373 -8.923 121 HG23 VAL 20 3HG2 VAL 20 6.342 7.555 -10.234 122 H LEU 21 H LEU 21 6.320 7.614 -4.583 123 HA LEU 21 HA LEU 21 5.219 10.257 -3.955 124 HB2 LEU 21 1HB LEU 21 5.663 7.897 -2.124 125 HB3 LEU 21 2HB LEU 21 4.886 9.413 -1.711 126 HG LEU 21 HG LEU 21 3.831 7.449 -3.764 127 HD11 LEU 21 1HD1 LEU 21 3.623 6.303 -1.741 128 HD12 LEU 21 2HD1 LEU 21 3.245 7.783 -0.827 129 HD13 LEU 21 3HD1 LEU 21 2.044 7.098 -1.948 130 HD21 LEU 21 1HD2 LEU 21 2.308 9.710 -2.475 131 HD22 LEU 21 2HD2 LEU 21 3.247 9.935 -3.970 132 HD23 LEU 21 3HD2 LEU 21 1.904 8.767 -3.930 133 H CYS 22 H CYS 22 6.417 11.731 -2.678 134 HA CYS 22 HA CYS 22 9.212 10.954 -2.282 135 HB2 CYS 22 1HB CYS 22 9.517 13.581 -2.768 136 HB3 CYS 22 2HB CYS 22 9.656 12.352 -4.010 137 HG CYS 22 HG CYS 22 7.279 14.473 -3.277 138 H GLY 23 H GLY 23 9.537 10.962 -0.084 139 HA2 GLY 23 1HA GLY 23 8.453 13.218 1.456 140 HA3 GLY 23 2HA GLY 23 8.070 11.584 1.959 141 H ASP 24 H ASP 24 9.315 12.757 3.912 142 HA ASP 24 HA ASP 24 12.155 12.649 3.552 143 HB2 ASP 24 1HB ASP 24 10.275 13.858 5.403 144 HB3 ASP 24 2HB ASP 24 11.426 12.908 6.322 145 HA PRO 25 HA PRO 25 12.611 8.731 5.475 146 HB2 PRO 25 1HB PRO 25 14.839 8.974 7.040 147 HB3 PRO 25 2HB PRO 25 14.907 8.758 5.302 148 HG2 PRO 25 1HG PRO 25 15.376 11.211 6.884 149 HG3 PRO 25 2HG PRO 25 15.843 10.865 5.231 150 HD2 PRO 25 1HD PRO 25 13.660 12.517 6.088 151 HD3 PRO 25 2HD PRO 25 14.057 12.078 4.439 152 H LEU 26 H LEU 26 12.298 11.424 7.581 153 HA LEU 26 HA LEU 26 11.666 9.652 9.799 154 HB2 LEU 26 1HB LEU 26 12.533 12.428 9.459 155 HB3 LEU 26 2HB LEU 26 11.250 12.242 10.638 156 HG LEU 26 HG LEU 26 13.638 10.430 10.788 157 HD11 LEU 26 1HD1 LEU 26 14.390 12.383 12.496 158 HD12 LEU 26 2HD1 LEU 26 14.980 12.242 10.822 159 HD13 LEU 26 3HD1 LEU 26 13.651 13.362 11.205 160 HD21 LEU 26 1HD2 LEU 26 11.360 10.554 12.247 161 HD22 LEU 26 2HD2 LEU 26 12.916 9.952 12.866 162 HD23 LEU 26 3HD2 LEU 26 12.414 11.627 13.200 163 H SER 27 H SER 27 10.161 12.199 7.717 164 HA SER 27 HA SER 27 7.641 11.818 8.948 165 HB2 SER 27 1HB SER 27 8.298 13.984 7.957 166 HB3 SER 27 2HB SER 27 8.442 13.246 6.374 167 HG SER 27 HG SER 27 6.371 13.688 6.114 168 H GLY 28 H GLY 28 9.451 9.869 6.931 169 HA2 GLY 28 1HA GLY 28 9.003 8.184 5.508 170 HA3 GLY 28 2HA GLY 28 7.503 8.010 6.397 171 H PHE 29 H PHE 29 5.658 8.153 5.203 172 HA PHE 29 HA PHE 29 5.671 10.007 2.943 173 HB2 PHE 29 1HB PHE 29 4.948 7.031 3.088 174 HB3 PHE 29 2HB PHE 29 4.274 8.045 1.829 175 HD1 PHE 29 1HD PHE 29 6.421 9.699 0.921 176 HD2 PHE 29 2HD PHE 29 6.567 5.656 2.203 177 HE1 PHE 29 1HE PHE 29 8.473 9.329 -0.476 178 HE2 PHE 29 2HE PHE 29 8.619 5.287 0.806 179 HZ PHE 29 HZ PHE 29 9.548 7.128 -0.517 180 H GLY 30 H GLY 30 3.227 7.522 3.788 181 HA2 GLY 30 1HA GLY 30 1.574 8.573 5.549 182 HA3 GLY 30 2HA GLY 30 1.281 9.662 4.208 183 H LEU 31 H LEU 31 1.637 6.089 4.809 184 HA LEU 31 HA LEU 31 -0.941 5.600 3.708 185 HB2 LEU 31 1HB LEU 31 -0.436 4.556 1.716 186 HB3 LEU 31 2HB LEU 31 0.556 6.000 1.692 187 HG LEU 31 HG LEU 31 2.204 4.047 2.838 188 HD11 LEU 31 1HD1 LEU 31 2.033 2.069 1.694 189 HD12 LEU 31 2HD1 LEU 31 0.313 2.502 1.850 190 HD13 LEU 31 3HD1 LEU 31 1.172 2.803 0.320 191 HD21 LEU 31 1HD2 LEU 31 2.996 5.795 1.394 192 HD22 LEU 31 2HD2 LEU 31 3.438 4.224 0.682 193 HD23 LEU 31 3HD2 LEU 31 2.067 5.148 0.020 194 H GLN 32 H GLN 32 -1.760 3.758 4.620 195 HA GLN 32 HA GLN 32 0.200 2.151 6.061 196 HB2 GLN 32 1HB GLN 32 -2.457 3.235 6.770 197 HB3 GLN 32 2HB GLN 32 -2.294 1.532 7.146 198 HG2 GLN 32 1HG GLN 32 -0.134 3.526 7.930 199 HG3 GLN 32 2HG GLN 32 -1.539 3.269 8.946 200 HE21 GLN 32 1HE2 GLN 32 -0.565 2.318 10.638 201 HE22 GLN 32 2HE2 GLN 32 0.219 0.774 10.603 202 H LEU 33 H LEU 33 0.219 -0.105 5.798 203 HA LEU 33 HA LEU 33 -1.439 -1.052 3.584 204 HB2 LEU 33 1HB LEU 33 1.197 -1.911 4.742 205 HB3 LEU 33 2HB LEU 33 0.259 -2.992 3.731 206 HG LEU 33 HG LEU 33 1.261 -0.253 2.904 207 HD11 LEU 33 1HD1 LEU 33 2.768 -1.573 1.394 208 HD12 LEU 33 2HD1 LEU 33 3.143 -1.703 3.130 209 HD13 LEU 33 3HD1 LEU 33 2.298 -3.031 2.299 210 HD21 LEU 33 1HD2 LEU 33 -0.379 -2.341 1.482 211 HD22 LEU 33 2HD2 LEU 33 -0.666 -0.591 1.637 212 HD23 LEU 33 3HD2 LEU 33 0.640 -1.189 0.586 213 H GLN 34 H GLN 34 -2.543 -3.115 3.746 214 HA GLN 34 HA GLN 34 -2.956 -3.920 6.516 215 HB2 GLN 34 1HB GLN 34 -4.931 -2.688 6.020 216 HB3 GLN 34 2HB GLN 34 -5.023 -3.309 4.384 217 HG2 GLN 34 1HG GLN 34 -5.071 -5.559 6.201 218 HG3 GLN 34 2HG GLN 34 -6.240 -4.381 6.764 219 HE21 GLN 34 1HE2 GLN 34 -6.561 -7.026 5.517 220 HE22 GLN 34 2HE2 GLN 34 -7.580 -6.812 4.132 221 H GLY 35 H GLY 35 -2.544 -6.066 6.834 222 HA2 GLY 35 1HA GLY 35 -3.236 -8.009 4.809 223 HA3 GLY 35 2HA GLY 35 -1.512 -7.783 5.028 224 H GLY 36 H GLY 36 -1.211 -9.911 5.901 225 HA2 GLY 36 1HA GLY 36 -2.690 -11.066 7.942 226 HA3 GLY 36 2HA GLY 36 -1.015 -11.410 7.562 227 H ILE 37 H ILE 37 -1.984 -11.472 10.227 228 HA ILE 37 HA ILE 37 -1.275 -8.952 11.443 229 HB ILE 37 HB ILE 37 -2.218 -11.606 12.516 230 HG12 ILE 37 1HG1 ILE 37 -4.019 -9.672 13.259 231 HG13 ILE 37 2HG1 ILE 37 -3.505 -9.085 11.689 232 HG21 ILE 37 1HG2 ILE 37 -2.469 -10.283 14.692 233 HG22 ILE 37 2HG2 ILE 37 -0.837 -10.835 14.245 234 HG23 ILE 37 3HG2 ILE 37 -1.303 -9.137 13.987 235 HD11 ILE 37 1HD1 ILE 37 -5.103 -11.483 12.373 236 HD12 ILE 37 2HD1 ILE 37 -5.042 -10.552 10.857 237 HD13 ILE 37 3HD1 ILE 37 -3.811 -11.795 11.189 238 H PHE 38 H PHE 38 -0.016 -12.340 11.266 239 HA PHE 38 HA PHE 38 2.289 -11.688 12.800 240 HB2 PHE 38 1HB PHE 38 1.227 -13.967 11.074 241 HB3 PHE 38 2HB PHE 38 2.909 -14.017 11.562 242 HD1 PHE 38 1HD PHE 38 -0.488 -13.563 13.040 243 HD2 PHE 38 2HD PHE 38 3.455 -15.043 13.561 244 HE1 PHE 38 1HE PHE 38 -1.156 -14.569 15.241 245 HE2 PHE 38 2HE PHE 38 2.787 -16.049 15.761 246 HZ PHE 38 HZ PHE 38 0.489 -15.800 16.575 247 H ALA 39 H ALA 39 3.455 -9.981 11.850 248 HA ALA 39 HA ALA 39 3.921 -9.468 9.254 249 HB1 ALA 39 1HB ALA 39 6.404 -9.122 10.644 250 HB2 ALA 39 2HB ALA 39 5.166 -7.900 10.268 251 HB3 ALA 39 3HB ALA 39 5.080 -8.814 11.793 252 H THR 40 H THR 40 6.011 -11.619 11.316 253 HA THR 40 HA THR 40 7.574 -12.499 9.145 254 HB THR 40 HB THR 40 8.367 -14.156 10.840 255 HG1 THR 40 1HG THR 40 7.096 -14.209 12.835 256 HG21 THR 40 1HG2 THR 40 8.963 -11.632 11.099 257 HG22 THR 40 2HG2 THR 40 7.689 -11.587 12.341 258 HG23 THR 40 3HG2 THR 40 9.107 -12.641 12.558 259 H GLU 41 H GLU 41 6.047 -12.958 7.451 260 HA GLU 41 HA GLU 41 5.585 -15.619 7.149 261 HB2 GLU 41 1HB GLU 41 3.459 -14.298 8.696 262 HB3 GLU 41 2HB GLU 41 2.836 -15.056 7.244 263 HG2 GLU 41 1HG GLU 41 4.805 -16.671 8.828 264 HG3 GLU 41 2HG GLU 41 3.248 -16.403 9.584 265 H THR 42 H THR 42 5.300 -15.958 4.960 266 HA THR 42 HA THR 42 5.384 -13.836 3.191 267 HB THR 42 HB THR 42 4.499 -16.751 2.886 268 HG1 THR 42 1HG THR 42 6.731 -16.023 3.641 269 HG21 THR 42 1HG2 THR 42 5.492 -14.802 0.743 270 HG22 THR 42 2HG2 THR 42 5.025 -16.502 0.503 271 HG23 THR 42 3HG2 THR 42 3.789 -15.290 0.916 272 H LEU 43 H LEU 43 3.823 -13.147 1.534 273 HA LEU 43 HA LEU 43 1.138 -13.058 2.719 274 HB2 LEU 43 1HB LEU 43 2.685 -11.062 1.077 275 HB3 LEU 43 2HB LEU 43 0.949 -10.956 1.291 276 HG LEU 43 HG LEU 43 2.953 -10.956 3.565 277 HD11 LEU 43 1HD1 LEU 43 1.964 -8.462 3.604 278 HD12 LEU 43 2HD1 LEU 43 3.444 -8.914 2.724 279 HD13 LEU 43 3HD1 LEU 43 1.899 -8.771 1.852 280 HD21 LEU 43 1HD2 LEU 43 0.309 -9.808 4.047 281 HD22 LEU 43 2HD2 LEU 43 0.254 -11.539 3.634 282 HD23 LEU 43 3HD2 LEU 43 1.247 -10.981 5.002 283 H SER 44 H SER 44 -0.272 -14.395 1.736 284 HA SER 44 HA SER 44 0.325 -15.496 -0.775 285 HB2 SER 44 1HB SER 44 -2.183 -15.531 0.954 286 HB3 SER 44 2HB SER 44 -2.065 -16.415 -0.555 287 HG SER 44 HG SER 44 0.159 -17.005 0.858 288 H SER 45 H SER 45 -1.390 -12.632 0.348 289 HA SER 45 HA SER 45 -2.072 -12.086 -2.424 290 HB2 SER 45 1HB SER 45 -4.088 -10.775 -1.089 291 HB3 SER 45 2HB SER 45 -4.261 -12.340 -1.857 292 HG SER 45 HG SER 45 -4.521 -11.740 0.762 293 HA PRO 46 HA PRO 46 -0.431 -8.157 -1.522 294 HB2 PRO 46 1HB PRO 46 -1.896 -6.444 -3.067 295 HB3 PRO 46 2HB PRO 46 -0.608 -7.447 -3.706 296 HG2 PRO 46 1HG PRO 46 -3.532 -7.789 -3.977 297 HG3 PRO 46 2HG PRO 46 -2.249 -8.505 -4.933 298 HD2 PRO 46 1HD PRO 46 -3.788 -9.795 -2.884 299 HD3 PRO 46 2HD PRO 46 -2.430 -10.474 -3.759 300 HA PRO 47 HA PRO 47 -2.589 -6.386 1.687 301 HB2 PRO 47 1HB PRO 47 -0.824 -4.434 2.427 302 HB3 PRO 47 2HB PRO 47 -0.681 -6.102 2.945 303 HG2 PRO 47 1HG PRO 47 0.899 -4.651 0.911 304 HG3 PRO 47 2HG PRO 47 1.284 -6.148 1.738 305 HD2 PRO 47 1HD PRO 47 0.338 -5.869 -0.956 306 HD3 PRO 47 2HD PRO 47 0.612 -7.369 -0.091 307 H LEU 48 H LEU 48 -4.188 -4.918 2.045 308 HA LEU 48 HA LEU 48 -4.472 -3.042 -0.152 309 HB2 LEU 48 1HB LEU 48 -6.445 -3.451 2.069 310 HB3 LEU 48 2HB LEU 48 -6.723 -2.903 0.428 311 HG LEU 48 HG LEU 48 -5.619 -5.628 0.590 312 HD11 LEU 48 1HD1 LEU 48 -6.864 -6.092 2.462 313 HD12 LEU 48 2HD1 LEU 48 -8.126 -4.904 2.060 314 HD13 LEU 48 3HD1 LEU 48 -8.045 -6.449 1.180 315 HD21 LEU 48 1HD2 LEU 48 -6.955 -4.088 -1.270 316 HD22 LEU 48 2HD2 LEU 48 -6.666 -5.841 -1.368 317 HD23 LEU 48 3HD2 LEU 48 -8.205 -5.227 -0.716 318 H VAL 49 H VAL 49 -5.247 -0.767 0.401 319 HA VAL 49 HA VAL 49 -3.336 0.365 2.192 320 HB VAL 49 HB VAL 49 -5.538 1.462 0.449 321 HG11 VAL 49 1HG1 VAL 49 -5.481 3.430 1.494 322 HG12 VAL 49 2HG1 VAL 49 -4.408 2.729 2.730 323 HG13 VAL 49 3HG1 VAL 49 -3.715 3.513 1.290 324 HG21 VAL 49 1HG2 VAL 49 -3.642 2.378 -0.849 325 HG22 VAL 49 2HG2 VAL 49 -2.509 1.587 0.272 326 HG23 VAL 49 3HG2 VAL 49 -3.591 0.602 -0.741 327 H CYS 50 H CYS 50 -3.794 -0.368 4.299 328 HA CYS 50 HA CYS 50 -6.247 -0.579 5.450 329 HB2 CYS 50 1HB CYS 50 -3.798 -1.092 6.324 330 HB3 CYS 50 2HB CYS 50 -3.969 0.470 7.100 331 HG CYS 50 HG CYS 50 -5.068 -0.422 8.996 332 H PHE 51 H PHE 51 -3.966 2.257 5.717 333 HA PHE 51 HA PHE 51 -6.271 4.022 5.618 334 HB2 PHE 51 1HB PHE 51 -6.023 3.777 8.003 335 HB3 PHE 51 2HB PHE 51 -4.286 3.581 7.889 336 HD1 PHE 51 1HD PHE 51 -7.031 6.018 7.894 337 HD2 PHE 51 2HD PHE 51 -2.820 5.492 7.839 338 HE1 PHE 51 1HE PHE 51 -6.720 8.446 8.453 339 HE2 PHE 51 2HE PHE 51 -2.510 7.920 8.397 340 HZ PHE 51 HZ PHE 51 -4.463 9.367 8.698 341 H ILE 52 H ILE 52 -5.454 6.417 5.599 342 HA ILE 52 HA ILE 52 -2.789 6.590 4.427 343 HB ILE 52 HB ILE 52 -5.350 7.456 3.092 344 HG12 ILE 52 1HG1 ILE 52 -3.091 5.741 2.032 345 HG13 ILE 52 2HG1 ILE 52 -4.514 5.083 2.815 346 HG21 ILE 52 1HG2 ILE 52 -3.875 8.461 1.348 347 HG22 ILE 52 2HG2 ILE 52 -3.854 9.319 2.908 348 HG23 ILE 52 3HG2 ILE 52 -2.499 8.255 2.459 349 HD11 ILE 52 1HD1 ILE 52 -5.282 7.049 0.790 350 HD12 ILE 52 2HD1 ILE 52 -4.254 5.774 0.091 351 HD13 ILE 52 3HD1 ILE 52 -5.759 5.340 0.938 352 H GLU 53 H GLU 53 -1.774 8.612 4.749 353 HA GLU 53 HA GLU 53 -2.847 10.021 6.965 354 HB2 GLU 53 1HB GLU 53 -0.299 10.022 5.394 355 HB3 GLU 53 2HB GLU 53 -0.690 11.513 6.228 356 HG2 GLU 53 1HG GLU 53 -1.252 9.442 8.097 357 HG3 GLU 53 2HG GLU 53 0.257 8.978 7.335 358 HA PRO 54 HA PRO 54 -4.855 13.112 4.653 359 HB2 PRO 54 1HB PRO 54 -5.365 14.908 6.648 360 HB3 PRO 54 2HB PRO 54 -6.361 13.497 6.352 361 HG2 PRO 54 1HG PRO 54 -4.390 13.954 8.507 362 HG3 PRO 54 2HG PRO 54 -5.677 12.767 8.430 363 HD2 PRO 54 1HD PRO 54 -2.879 12.296 8.006 364 HD3 PRO 54 2HD PRO 54 -4.178 11.135 7.816 365 H ASP 55 H ASP 55 -4.104 14.478 3.170 366 HA ASP 55 HA ASP 55 -3.030 16.219 2.396 367 HB2 ASP 55 1HB ASP 55 -3.251 17.011 4.989 368 HB3 ASP 55 2HB ASP 55 -1.510 16.826 4.919 369 H SER 56 H SER 56 -1.927 13.354 3.299 370 HA SER 56 HA SER 56 0.877 13.810 3.403 371 HB2 SER 56 1HB SER 56 0.983 11.632 4.067 372 HB3 SER 56 2HB SER 56 -0.754 11.775 4.243 373 HG SER 56 HG SER 56 -0.918 10.244 2.768 374 HA PRO 57 HA PRO 57 1.803 13.180 -0.817 375 HB2 PRO 57 1HB PRO 57 3.746 11.263 -0.954 376 HB3 PRO 57 2HB PRO 57 4.066 12.921 -0.484 377 HG2 PRO 57 1HG PRO 57 3.923 10.507 1.216 378 HG3 PRO 57 2HG PRO 57 4.644 12.062 1.577 379 HD2 PRO 57 1HD PRO 57 2.130 11.072 2.539 380 HD3 PRO 57 2HD PRO 57 2.798 12.670 2.805 381 H ALA 58 H ALA 58 1.388 10.009 0.649 382 HA ALA 58 HA ALA 58 0.797 8.645 -1.682 383 HB1 ALA 58 1HB ALA 58 1.150 7.920 0.844 384 HB2 ALA 58 2HB ALA 58 -0.626 8.022 0.895 385 HB3 ALA 58 3HB ALA 58 0.170 6.923 -0.257 386 H GLU 59 H GLU 59 -1.217 10.753 0.406 387 HA GLU 59 HA GLU 59 -3.588 10.058 -1.000 388 HB2 GLU 59 1HB GLU 59 -3.394 10.835 1.451 389 HB3 GLU 59 2HB GLU 59 -3.172 12.457 0.826 390 HG2 GLU 59 1HG GLU 59 -5.530 12.202 1.300 391 HG3 GLU 59 2HG GLU 59 -5.359 12.205 -0.444 392 H ARG 60 H ARG 60 -1.122 12.652 -1.084 393 HA ARG 60 HA ARG 60 -2.467 14.493 -2.558 394 HB2 ARG 60 1HB ARG 60 0.453 13.702 -2.352 395 HB3 ARG 60 2HB ARG 60 -0.009 14.922 -3.523 396 HG2 ARG 60 1HG ARG 60 -1.341 15.542 -1.038 397 HG3 ARG 60 2HG ARG 60 0.344 15.221 -0.675 398 HD2 ARG 60 1HD ARG 60 1.110 16.931 -2.198 399 HD3 ARG 60 2HD ARG 60 -0.459 17.061 -2.967 400 HE ARG 60 HE ARG 60 -0.675 17.640 -0.141 401 HH11 ARG 60 2HH2 ARG 60 0.405 19.030 -3.188 402 HH12 ARG 60 1HH2 ARG 60 0.166 20.667 -2.673 403 HH21 ARG 60 2HH1 ARG 60 -0.991 19.799 0.539 404 HH22 ARG 60 1HH1 ARG 60 -0.633 21.107 -0.539 405 H CYS 61 H CYS 61 -0.773 11.493 -3.581 406 HA CYS 61 HA CYS 61 -0.797 12.006 -6.320 407 HB2 CYS 61 1HB CYS 61 -0.395 9.624 -4.583 408 HB3 CYS 61 2HB CYS 61 -0.861 9.299 -6.241 409 HG CYS 61 HG CYS 61 1.775 9.192 -5.928 410 H GLY 62 H GLY 62 -3.235 10.931 -3.979 411 HA2 GLY 62 1HA GLY 62 -5.485 10.813 -4.212 412 HA3 GLY 62 2HA GLY 62 -5.339 11.276 -5.896 413 H LEU 63 H LEU 63 -3.794 9.335 -7.078 414 HA LEU 63 HA LEU 63 -5.509 7.317 -7.615 415 HB2 LEU 63 1HB LEU 63 -2.510 7.483 -7.728 416 HB3 LEU 63 2HB LEU 63 -3.358 6.038 -8.242 417 HG LEU 63 HG LEU 63 -4.106 8.722 -9.383 418 HD11 LEU 63 1HD1 LEU 63 -1.573 8.244 -9.519 419 HD12 LEU 63 2HD1 LEU 63 -2.026 6.982 -10.691 420 HD13 LEU 63 3HD1 LEU 63 -2.442 8.684 -11.009 421 HD21 LEU 63 1HD2 LEU 63 -5.126 7.541 -11.084 422 HD22 LEU 63 2HD2 LEU 63 -4.116 6.096 -10.836 423 HD23 LEU 63 3HD2 LEU 63 -5.413 6.485 -9.680 424 H LEU 64 H LEU 64 -3.217 7.584 -4.884 425 HA LEU 64 HA LEU 64 -3.714 4.879 -4.055 426 HB2 LEU 64 1HB LEU 64 -1.612 6.467 -3.770 427 HB3 LEU 64 2HB LEU 64 -2.444 6.927 -2.298 428 HG LEU 64 HG LEU 64 -2.080 4.009 -2.845 429 HD11 LEU 64 1HD1 LEU 64 0.114 5.707 -3.037 430 HD12 LEU 64 2HD1 LEU 64 0.173 5.100 -1.365 431 HD13 LEU 64 3HD1 LEU 64 0.141 3.955 -2.727 432 HD21 LEU 64 1HD2 LEU 64 -1.599 4.184 -0.291 433 HD22 LEU 64 2HD2 LEU 64 -2.339 5.796 -0.446 434 HD23 LEU 64 3HD2 LEU 64 -3.267 4.344 -0.892 435 H GLN 65 H GLN 65 -5.311 4.166 -2.729 436 HA GLN 65 HA GLN 65 -6.491 5.981 -0.877 437 HB2 GLN 65 1HB GLN 65 -7.887 5.198 -3.409 438 HB3 GLN 65 2HB GLN 65 -8.850 5.152 -1.946 439 HG2 GLN 65 1HG GLN 65 -7.635 7.562 -1.575 440 HG3 GLN 65 2HG GLN 65 -7.599 7.506 -3.326 441 HE21 GLN 65 1HE2 GLN 65 -9.121 8.898 -3.898 442 HE22 GLN 65 2HE2 GLN 65 -10.793 8.831 -3.453 443 H VAL 66 H VAL 66 -8.265 4.775 0.447 444 HA VAL 66 HA VAL 66 -7.173 2.375 1.354 445 HB VAL 66 HB VAL 66 -9.782 3.814 1.757 446 HG11 VAL 66 1HG1 VAL 66 -9.230 1.009 2.323 447 HG12 VAL 66 2HG1 VAL 66 -9.603 1.924 3.804 448 HG13 VAL 66 3HG1 VAL 66 -10.754 1.920 2.446 449 HG21 VAL 66 1HG2 VAL 66 -8.900 4.276 3.959 450 HG22 VAL 66 2HG2 VAL 66 -7.504 3.211 3.671 451 HG23 VAL 66 3HG2 VAL 66 -7.677 4.721 2.745 452 H GLY 67 H GLY 67 -7.573 0.225 0.905 453 HA2 GLY 67 1HA GLY 67 -8.935 -1.512 0.089 454 HA3 GLY 67 2HA GLY 67 -9.742 -0.387 -0.986 455 H ASP 68 H ASP 68 -7.188 0.947 -1.843 456 HA ASP 68 HA ASP 68 -6.725 -0.339 -4.130 457 HB2 ASP 68 1HB ASP 68 -5.000 1.415 -2.377 458 HB3 ASP 68 2HB ASP 68 -4.262 0.689 -3.791 459 H ARG 69 H ARG 69 -5.324 -2.040 -4.859 460 HA ARG 69 HA ARG 69 -4.242 -3.630 -2.702 461 HB2 ARG 69 1HB ARG 69 -4.925 -4.213 -5.615 462 HB3 ARG 69 2HB ARG 69 -3.976 -5.341 -4.668 463 HG2 ARG 69 1HG ARG 69 -5.936 -6.202 -3.911 464 HG3 ARG 69 2HG ARG 69 -6.125 -4.737 -2.967 465 HD2 ARG 69 1HD ARG 69 -8.141 -4.892 -4.240 466 HD3 ARG 69 2HD ARG 69 -7.194 -3.675 -5.071 467 HE ARG 69 HE ARG 69 -6.514 -6.175 -6.229 468 HH11 ARG 69 2HH2 ARG 69 -9.335 -4.089 -5.949 469 HH12 ARG 69 1HH2 ARG 69 -10.039 -4.627 -7.437 470 HH21 ARG 69 2HH1 ARG 69 -7.443 -6.885 -8.192 471 HH22 ARG 69 1HH1 ARG 69 -8.956 -6.229 -8.721 472 H VAL 70 H VAL 70 -2.035 -3.744 -2.352 473 HA VAL 70 HA VAL 70 -0.332 -2.418 -4.311 474 HB VAL 70 HB VAL 70 -0.067 -3.176 -1.411 475 HG11 VAL 70 1HG1 VAL 70 2.108 -2.543 -3.389 476 HG12 VAL 70 2HG1 VAL 70 2.259 -1.998 -1.701 477 HG13 VAL 70 3HG1 VAL 70 2.085 -3.732 -2.064 478 HG21 VAL 70 1HG2 VAL 70 -0.662 -0.762 -2.918 479 HG22 VAL 70 2HG2 VAL 70 -0.804 -1.080 -1.172 480 HG23 VAL 70 3HG2 VAL 70 0.747 -0.534 -1.855 481 H LEU 71 H LEU 71 0.495 -3.689 -5.888 482 HA LEU 71 HA LEU 71 0.713 -6.517 -5.465 483 HB2 LEU 71 1HB LEU 71 1.515 -4.777 -7.802 484 HB3 LEU 71 2HB LEU 71 1.502 -6.530 -7.792 485 HG LEU 71 HG LEU 71 -0.853 -4.644 -7.682 486 HD11 LEU 71 1HD1 LEU 71 0.445 -6.224 -9.729 487 HD12 LEU 71 2HD1 LEU 71 -1.262 -6.694 -9.545 488 HD13 LEU 71 3HD1 LEU 71 -0.837 -4.997 -9.874 489 HD21 LEU 71 1HD2 LEU 71 -2.226 -6.814 -7.571 490 HD22 LEU 71 2HD2 LEU 71 -0.743 -7.559 -6.926 491 HD23 LEU 71 3HD2 LEU 71 -1.503 -6.199 -6.065 492 H SER 72 H SER 72 3.045 -3.839 -6.250 493 HA SER 72 HA SER 72 4.989 -5.337 -4.693 494 HB2 SER 72 1HB SER 72 6.740 -4.645 -6.417 495 HB3 SER 72 2HB SER 72 5.618 -5.887 -6.935 496 HG SER 72 HG SER 72 4.338 -4.121 -7.951 497 H ILE 73 H ILE 73 7.004 -3.827 -4.242 498 HA ILE 73 HA ILE 73 6.201 -1.026 -4.152 499 HB ILE 73 HB ILE 73 7.034 -2.637 -1.737 500 HG12 ILE 73 1HG1 ILE 73 4.426 -1.197 -2.298 501 HG13 ILE 73 2HG1 ILE 73 4.663 -2.923 -2.482 502 HG21 ILE 73 1HG2 ILE 73 6.163 -0.011 -1.066 503 HG22 ILE 73 2HG2 ILE 73 7.759 -0.757 -0.815 504 HG23 ILE 73 3HG2 ILE 73 7.417 0.128 -2.321 505 HD11 ILE 73 1HD1 ILE 73 5.169 -3.189 -0.113 506 HD12 ILE 73 2HD1 ILE 73 5.194 -1.424 0.122 507 HD13 ILE 73 3HD1 ILE 73 3.663 -2.250 -0.256 508 H ASN 74 H ASN 74 7.790 0.036 -5.196 509 HA ASN 74 HA ASN 74 9.800 0.792 -5.606 510 HB2 ASN 74 1HB ASN 74 11.192 -1.351 -3.966 511 HB3 ASN 74 2HB ASN 74 11.688 0.308 -4.235 512 HD21 ASN 74 1HD2 ASN 74 10.183 2.006 -3.395 513 HD22 ASN 74 2HD2 ASN 74 9.468 1.764 -1.836 514 H GLY 75 H GLY 75 8.485 -2.148 -6.315 515 HA2 GLY 75 1HA GLY 75 8.988 -3.034 -8.511 516 HA3 GLY 75 2HA GLY 75 10.694 -2.899 -8.133 517 H ILE 76 H ILE 76 9.308 -3.761 -5.228 518 HA ILE 76 HA ILE 76 9.875 -6.584 -5.750 519 HB ILE 76 HB ILE 76 9.792 -5.042 -3.154 520 HG12 ILE 76 1HG1 ILE 76 11.639 -4.425 -4.761 521 HG13 ILE 76 2HG1 ILE 76 12.153 -4.994 -3.185 522 HG21 ILE 76 1HG2 ILE 76 10.256 -7.930 -3.819 523 HG22 ILE 76 2HG2 ILE 76 11.097 -7.190 -2.436 524 HG23 ILE 76 3HG2 ILE 76 9.318 -7.199 -2.495 525 HD11 ILE 76 1HD1 ILE 76 13.433 -6.531 -4.246 526 HD12 ILE 76 2HD1 ILE 76 11.931 -7.342 -4.751 527 HD13 ILE 76 3HD1 ILE 76 12.692 -6.135 -5.816 528 H ALA 77 H ALA 77 8.283 -8.098 -5.676 529 HA ALA 77 HA ALA 77 5.596 -7.182 -5.406 530 HB1 ALA 77 1HB ALA 77 5.163 -9.692 -5.741 531 HB2 ALA 77 2HB ALA 77 6.026 -8.848 -7.050 532 HB3 ALA 77 3HB ALA 77 6.927 -9.864 -5.898 533 H THR 78 H THR 78 4.262 -7.266 -3.642 534 HA THR 78 HA THR 78 5.430 -7.854 -1.113 535 HB THR 78 HB THR 78 3.081 -7.259 -0.351 536 HG1 THR 78 1HG THR 78 1.772 -6.551 -2.345 537 HG21 THR 78 1HG2 THR 78 3.631 -5.301 -2.568 538 HG22 THR 78 2HG2 THR 78 3.287 -4.991 -0.849 539 HG23 THR 78 3HG2 THR 78 4.914 -5.511 -1.352 540 H GLU 79 H GLU 79 3.371 -9.628 -3.415 541 HA GLU 79 HA GLU 79 2.588 -11.580 -1.575 542 HB2 GLU 79 1HB GLU 79 2.863 -11.912 -4.591 543 HB3 GLU 79 2HB GLU 79 1.810 -12.818 -3.523 544 HG2 GLU 79 1HG GLU 79 0.967 -10.291 -2.926 545 HG3 GLU 79 2HG GLU 79 1.509 -10.024 -4.571 546 H ASP 80 H ASP 80 5.618 -10.867 -3.042 547 HA ASP 80 HA ASP 80 6.478 -13.624 -2.714 548 HB2 ASP 80 1HB ASP 80 6.903 -12.003 -4.830 549 HB3 ASP 80 2HB ASP 80 8.257 -11.470 -3.853 550 H GLY 81 H GLY 81 5.946 -12.016 -0.378 551 HA2 GLY 81 1HA GLY 81 8.469 -12.149 0.948 552 HA3 GLY 81 2HA GLY 81 7.993 -10.490 0.645 553 H THR 82 H THR 82 8.017 -10.560 3.143 554 HA THR 82 HA THR 82 5.447 -11.603 4.132 555 HB THR 82 HB THR 82 6.671 -11.433 6.378 556 HG1 THR 82 1HG THR 82 8.901 -10.889 6.189 557 HG21 THR 82 1HG2 THR 82 6.869 -13.457 4.474 558 HG22 THR 82 2HG2 THR 82 8.577 -13.042 4.759 559 HG23 THR 82 3HG2 THR 82 7.545 -13.549 6.118 560 H MET 83 H MET 83 4.168 -10.294 5.553 561 HA MET 83 HA MET 83 3.546 -7.894 4.674 562 HB2 MET 83 1HB MET 83 2.730 -9.413 6.757 563 HB3 MET 83 2HB MET 83 3.652 -8.248 7.687 564 HG2 MET 83 1HG MET 83 1.300 -7.666 5.831 565 HG3 MET 83 2HG MET 83 1.348 -7.459 7.570 566 HE1 MET 83 1HE MET 83 2.403 -5.301 4.116 567 HE2 MET 83 2HE MET 83 0.896 -5.979 4.777 568 HE3 MET 83 3HE MET 83 1.309 -4.273 5.071 569 H GLU 84 H GLU 84 5.855 -8.392 7.446 570 HA GLU 84 HA GLU 84 6.490 -5.821 7.901 571 HB2 GLU 84 1HB GLU 84 7.389 -8.230 8.816 572 HB3 GLU 84 2HB GLU 84 8.796 -7.725 7.901 573 HG2 GLU 84 1HG GLU 84 8.031 -5.395 9.289 574 HG3 GLU 84 2HG GLU 84 7.753 -6.678 10.449 575 H GLU 85 H GLU 85 8.342 -8.038 5.680 576 HA GLU 85 HA GLU 85 10.157 -6.383 4.721 577 HB2 GLU 85 1HB GLU 85 8.475 -8.473 3.315 578 HB3 GLU 85 2HB GLU 85 9.694 -7.588 2.419 579 HG2 GLU 85 1HG GLU 85 11.337 -8.246 4.329 580 HG3 GLU 85 2HG GLU 85 10.104 -9.378 4.848 581 H ALA 86 H ALA 86 6.716 -6.518 3.593 582 HA ALA 86 HA ALA 86 6.919 -4.622 1.590 583 HB1 ALA 86 1HB ALA 86 4.788 -5.305 1.412 584 HB2 ALA 86 2HB ALA 86 4.887 -6.083 3.010 585 HB3 ALA 86 3HB ALA 86 4.381 -4.381 2.878 586 H ASN 87 H ASN 87 6.077 -4.211 5.098 587 HA ASN 87 HA ASN 87 5.759 -1.478 4.951 588 HB2 ASN 87 1HB ASN 87 6.362 -3.471 7.141 589 HB3 ASN 87 2HB ASN 87 6.570 -1.774 7.525 590 HD21 ASN 87 1HD2 ASN 87 4.494 -4.224 7.743 591 HD22 ASN 87 2HD2 ASN 87 2.963 -3.417 7.697 592 H GLN 88 H GLN 88 8.604 -3.581 5.763 593 HA GLN 88 HA GLN 88 10.341 -1.562 6.447 594 HB2 GLN 88 1HB GLN 88 10.832 -3.899 6.925 595 HB3 GLN 88 2HB GLN 88 10.842 -4.305 5.220 596 HG2 GLN 88 1HG GLN 88 13.095 -3.973 5.327 597 HG3 GLN 88 2HG GLN 88 12.714 -2.263 5.300 598 HE21 GLN 88 1HE2 GLN 88 13.395 -1.053 6.898 599 HE22 GLN 88 2HE2 GLN 88 13.922 -1.584 8.461 600 H LEU 89 H LEU 89 9.586 -3.047 3.244 601 HA LEU 89 HA LEU 89 11.558 -1.829 1.758 602 HB2 LEU 89 1HB LEU 89 8.758 -2.715 1.093 603 HB3 LEU 89 2HB LEU 89 9.838 -2.053 -0.118 604 HG LEU 89 HG LEU 89 10.706 -4.386 1.576 605 HD11 LEU 89 1HD1 LEU 89 8.622 -4.373 -0.526 606 HD12 LEU 89 2HD1 LEU 89 9.873 -5.631 -0.672 607 HD13 LEU 89 3HD1 LEU 89 8.904 -5.508 0.816 608 HD21 LEU 89 1HD2 LEU 89 12.293 -3.069 0.088 609 HD22 LEU 89 2HD2 LEU 89 12.239 -4.831 -0.159 610 HD23 LEU 89 3HD2 LEU 89 11.399 -3.747 -1.294 611 H LEU 90 H LEU 90 8.494 -0.542 3.059 612 HA LEU 90 HA LEU 90 8.585 1.833 1.502 613 HB2 LEU 90 1HB LEU 90 6.863 0.580 3.466 614 HB3 LEU 90 2HB LEU 90 7.050 2.291 3.794 615 HG LEU 90 HG LEU 90 5.940 0.972 1.317 616 HD11 LEU 90 1HD1 LEU 90 4.483 3.222 2.440 617 HD12 LEU 90 2HD1 LEU 90 3.944 1.559 2.102 618 HD13 LEU 90 3HD1 LEU 90 4.752 1.937 3.642 619 HD21 LEU 90 1HD2 LEU 90 5.714 3.654 0.810 620 HD22 LEU 90 2HD2 LEU 90 7.341 3.546 1.524 621 HD23 LEU 90 3HD2 LEU 90 6.929 2.566 0.097 622 H ARG 91 H ARG 91 9.988 0.718 4.564 623 HA ARG 91 HA ARG 91 10.514 3.212 5.628 624 HB2 ARG 91 1HB ARG 91 11.041 0.489 6.279 625 HB3 ARG 91 2HB ARG 91 12.613 1.262 6.250 626 HG2 ARG 91 1HG ARG 91 11.566 3.125 7.715 627 HG3 ARG 91 2HG ARG 91 10.190 2.058 7.919 628 HD2 ARG 91 1HD ARG 91 11.422 0.470 9.154 629 HD3 ARG 91 2HD ARG 91 12.953 0.949 8.450 630 HE ARG 91 HE ARG 91 12.011 3.202 9.867 631 HH11 ARG 91 2HH2 ARG 91 12.961 -0.105 10.601 632 HH12 ARG 91 1HH2 ARG 91 13.486 0.267 12.209 633 HH21 ARG 91 2HH1 ARG 91 12.704 3.694 11.989 634 HH22 ARG 91 1HH1 ARG 91 13.339 2.443 13.004 635 H ASP 92 H ASP 92 12.716 0.920 3.837 636 HA ASP 92 HA ASP 92 14.854 2.623 3.706 637 HB2 ASP 92 1HB ASP 92 14.635 0.113 3.060 638 HB3 ASP 92 2HB ASP 92 14.073 0.674 1.498 639 H ALA 93 H ALA 93 12.097 2.050 1.412 640 HA ALA 93 HA ALA 93 12.855 3.591 -0.695 641 HB1 ALA 93 1HB ALA 93 10.058 3.436 0.496 642 HB2 ALA 93 2HB ALA 93 10.487 3.742 -1.204 643 HB3 ALA 93 3HB ALA 93 10.808 2.149 -0.479 644 H ALA 94 H ALA 94 11.306 4.645 2.398 645 HA ALA 94 HA ALA 94 10.996 7.321 1.697 646 HB1 ALA 94 1HB ALA 94 9.840 6.480 3.596 647 HB2 ALA 94 2HB ALA 94 11.335 5.846 4.326 648 HB3 ALA 94 3HB ALA 94 11.055 7.602 4.253 649 H LEU 95 H LEU 95 13.762 5.495 3.113 650 HA LEU 95 HA LEU 95 15.345 7.742 3.639 651 HB2 LEU 95 1HB LEU 95 16.151 4.891 3.045 652 HB3 LEU 95 2HB LEU 95 17.186 6.121 3.743 653 HG LEU 95 HG LEU 95 14.667 5.009 5.011 654 HD11 LEU 95 1HD1 LEU 95 15.953 3.635 6.332 655 HD12 LEU 95 2HD1 LEU 95 16.852 3.575 4.796 656 HD13 LEU 95 3HD1 LEU 95 17.423 4.617 6.122 657 HD21 LEU 95 1HD2 LEU 95 14.670 6.947 6.131 658 HD22 LEU 95 2HD2 LEU 95 16.064 6.265 7.004 659 HD23 LEU 95 3HD2 LEU 95 16.325 7.356 5.622 660 H ALA 96 H ALA 96 14.264 6.364 0.682 661 HA ALA 96 HA ALA 96 16.574 7.379 -0.782 662 HB1 ALA 96 1HB ALA 96 14.387 5.410 -1.249 663 HB2 ALA 96 2HB ALA 96 14.920 6.344 -2.668 664 HB3 ALA 96 3HB ALA 96 16.093 5.367 -1.753 665 H HIS 97 H HIS 97 13.622 8.464 0.478 666 HA HIS 97 HA HIS 97 12.444 10.289 0.174 667 HB2 HIS 97 1HB HIS 97 14.921 10.972 -1.347 668 HB3 HIS 97 2HB HIS 97 13.521 12.000 -1.578 669 HD1 HIS 97 1HD HIS 97 13.128 13.784 0.155 670 HD2 HIS 97 2HD HIS 97 15.726 10.780 1.507 671 HE1 HIS 97 1HE HIS 97 14.008 14.565 2.419 672 H LYS 98 H LYS 98 12.549 7.812 -1.801 673 HA LYS 98 HA LYS 98 10.395 8.817 -3.423 674 HB2 LYS 98 1HB LYS 98 12.686 9.257 -4.613 675 HB3 LYS 98 2HB LYS 98 12.664 7.533 -4.925 676 HG2 LYS 98 1HG LYS 98 10.092 8.177 -5.640 677 HG3 LYS 98 2HG LYS 98 10.899 9.685 -6.022 678 HD2 LYS 98 1HD LYS 98 11.636 8.756 -7.953 679 HD3 LYS 98 2HD LYS 98 12.627 7.660 -7.011 680 HE2 LYS 98 1HE LYS 98 9.979 6.610 -6.866 681 HE3 LYS 98 2HE LYS 98 10.204 7.088 -8.537 682 HZ1 LYS 98 1HZ LYS 98 11.064 4.973 -8.422 683 HZ2 LYS 98 2HZ LYS 98 12.412 5.888 -8.320 684 HZ3 LYS 98 3HZ LYS 98 11.790 5.197 -6.977 685 H VAL 99 H VAL 99 8.980 7.155 -4.078 686 HA VAL 99 HA VAL 99 9.813 4.428 -3.527 687 HB VAL 99 HB VAL 99 8.900 5.392 -1.412 688 HG11 VAL 99 1HG1 VAL 99 6.941 6.471 -1.292 689 HG12 VAL 99 2HG1 VAL 99 6.978 6.526 -3.071 690 HG13 VAL 99 3HG1 VAL 99 6.102 5.219 -2.239 691 HG21 VAL 99 1HG2 VAL 99 8.487 3.238 -1.010 692 HG22 VAL 99 2HG2 VAL 99 6.858 3.450 -1.696 693 HG23 VAL 99 3HG2 VAL 99 8.204 2.933 -2.741 694 H VAL 100 H VAL 100 8.533 2.860 -4.662 695 HA VAL 100 HA VAL 100 6.737 4.085 -6.641 696 HB VAL 100 HB VAL 100 8.745 1.847 -6.935 697 HG11 VAL 100 1HG1 VAL 100 6.241 2.148 -8.266 698 HG12 VAL 100 2HG1 VAL 100 7.528 2.545 -9.429 699 HG13 VAL 100 3HG1 VAL 100 7.539 0.974 -8.592 700 HG21 VAL 100 1HG2 VAL 100 8.534 4.368 -8.588 701 HG22 VAL 100 2HG2 VAL 100 9.457 4.315 -7.067 702 HG23 VAL 100 3HG2 VAL 100 9.910 3.252 -8.420 703 H LEU 101 H LEU 101 4.669 3.367 -6.567 704 HA LEU 101 HA LEU 101 4.231 0.802 -5.202 705 HB2 LEU 101 1HB LEU 101 2.177 2.976 -5.241 706 HB3 LEU 101 2HB LEU 101 2.362 1.632 -4.130 707 HG LEU 101 HG LEU 101 2.878 3.674 -2.982 708 HD11 LEU 101 1HD1 LEU 101 4.361 1.508 -2.775 709 HD12 LEU 101 2HD1 LEU 101 5.627 2.576 -3.426 710 HD13 LEU 101 3HD1 LEU 101 4.792 3.004 -1.913 711 HD21 LEU 101 1HD2 LEU 101 4.082 5.412 -3.769 712 HD22 LEU 101 2HD2 LEU 101 5.269 4.367 -4.586 713 HD23 LEU 101 3HD2 LEU 101 3.693 4.688 -5.348 714 H GLU 102 H GLU 102 2.922 -0.701 -6.217 715 HA GLU 102 HA GLU 102 1.920 0.165 -8.818 716 HB2 GLU 102 1HB GLU 102 3.811 -1.392 -9.054 717 HB3 GLU 102 2HB GLU 102 3.037 -2.549 -7.989 718 HG2 GLU 102 1HG GLU 102 1.897 -3.434 -9.734 719 HG3 GLU 102 2HG GLU 102 1.141 -1.885 -10.053 720 H VAL 103 H VAL 103 -0.280 0.284 -8.825 721 HA VAL 103 HA VAL 103 -1.717 -1.502 -6.999 722 HB VAL 103 HB VAL 103 -3.050 0.759 -8.393 723 HG11 VAL 103 1HG1 VAL 103 -4.391 -0.537 -6.905 724 HG12 VAL 103 2HG1 VAL 103 -3.159 -0.465 -5.622 725 HG13 VAL 103 3HG1 VAL 103 -4.054 1.004 -6.081 726 HG21 VAL 103 1HG2 VAL 103 -1.206 2.052 -7.861 727 HG22 VAL 103 2HG2 VAL 103 -2.185 2.212 -6.383 728 HG23 VAL 103 3HG2 VAL 103 -0.807 1.086 -6.420 729 H GLU 104 H GLU 104 -3.590 -2.665 -7.776 730 HA GLU 104 HA GLU 104 -3.440 -3.066 -10.662 731 HB2 GLU 104 1HB GLU 104 -2.755 -5.023 -9.232 732 HB3 GLU 104 2HB GLU 104 -4.360 -5.045 -8.529 733 HG2 GLU 104 1HG GLU 104 -5.358 -5.874 -10.459 734 HG3 GLU 104 2HG GLU 104 -4.229 -5.064 -11.527 735 H PHE 105 H PHE 105 -5.402 -3.180 -11.872 736 HA PHE 105 HA PHE 105 -7.932 -3.289 -10.755 737 HB2 PHE 105 1HB PHE 105 -8.533 -0.832 -11.032 738 HB3 PHE 105 2HB PHE 105 -7.345 -1.082 -9.769 739 HD1 PHE 105 1HD PHE 105 -7.550 -0.290 -13.408 740 HD2 PHE 105 2HD PHE 105 -5.413 0.195 -9.774 741 HE1 PHE 105 1HE PHE 105 -6.012 1.346 -14.530 742 HE2 PHE 105 2HE PHE 105 -3.875 1.830 -10.896 743 HZ PHE 105 HZ PHE 105 -4.193 2.386 -13.261 744 H ASP 106 H ASP 106 -9.660 -2.511 -12.408 745 HA ASP 106 HA ASP 106 -8.538 -3.044 -15.036 746 HB2 ASP 106 1HB ASP 106 -11.357 -3.348 -13.907 747 HB3 ASP 106 2HB ASP 106 -10.987 -3.564 -15.606 748 H SER 107 H SER 107 -8.314 -1.169 -16.267 749 HA SER 107 HA SER 107 -9.562 1.213 -15.518 750 HB2 SER 107 1HB SER 107 -7.419 1.218 -16.684 751 HB3 SER 107 2HB SER 107 -8.105 0.381 -18.062 752 HG SER 107 HG SER 107 -9.344 2.224 -18.589 753 H GLY 108 H GLY 108 -11.788 1.397 -15.634 754 HA2 GLY 108 1HA GLY 108 -13.254 1.924 -17.760 755 HA3 GLY 108 2HA GLY 108 -13.203 0.176 -17.880 756 HA PRO 109 HA PRO 109 -16.225 1.664 -14.603 757 HB2 PRO 109 1HB PRO 109 -18.462 2.417 -15.981 758 HB3 PRO 109 2HB PRO 109 -17.291 3.561 -15.357 759 HG2 PRO 109 1HG PRO 109 -17.711 2.674 -18.145 760 HG3 PRO 109 2HG PRO 109 -16.865 4.093 -17.561 761 HD2 PRO 109 1HD PRO 109 -15.680 1.672 -18.542 762 HD3 PRO 109 2HD PRO 109 -14.839 3.045 -17.850 763 H SER 110 H SER 110 -17.362 0.142 -13.534 764 HA SER 110 HA SER 110 -18.493 -1.873 -15.312 765 HB2 SER 110 1HB SER 110 -17.100 -2.369 -12.642 766 HB3 SER 110 2HB SER 110 -17.856 -3.600 -13.633 767 HG SER 110 HG SER 110 -15.609 -3.587 -14.059 768 H SER 111 H SER 111 -20.377 -3.057 -14.370 769 HA SER 111 HA SER 111 -21.620 -1.492 -12.245 770 HB2 SER 111 1HB SER 111 -23.811 -1.908 -13.341 771 HB3 SER 111 2HB SER 111 -22.727 -1.004 -14.379 772 HG SER 111 HG SER 111 -23.975 -2.962 -15.279 773 H GLY 112 H GLY 112 -22.940 -2.702 -10.725 774 HA2 GLY 112 1HA GLY 112 -23.688 -4.534 -9.624 775 HA3 GLY 112 2HA GLY 112 -23.286 -5.532 -11.008 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -7.337 -8.008 -43.316 2 HA2 GLY 1 1HA GLY 1 -7.894 -5.979 -44.104 3 HA3 GLY 1 2HA GLY 1 -6.268 -5.902 -44.754 4 H SER 2 H SER 2 -5.858 -6.906 -46.935 5 HA SER 2 HA SER 2 -6.320 -7.219 -49.033 6 HB2 SER 2 1HB SER 2 -8.504 -8.494 -47.716 7 HB3 SER 2 2HB SER 2 -9.204 -7.606 -49.055 8 HG SER 2 HG SER 2 -8.523 -9.783 -49.644 9 H SER 3 H SER 3 -6.029 -5.253 -50.055 10 HA SER 3 HA SER 3 -6.445 -3.302 -50.908 11 HB2 SER 3 1HB SER 3 -8.833 -4.834 -51.337 12 HB3 SER 3 2HB SER 3 -9.337 -3.195 -50.973 13 HG SER 3 HG SER 3 -7.947 -2.419 -52.671 14 H GLY 4 H GLY 4 -5.684 -2.327 -48.850 15 HA2 GLY 4 1HA GLY 4 -6.893 -0.173 -47.934 16 HA3 GLY 4 2HA GLY 4 -7.765 -1.390 -47.024 17 H SER 5 H SER 5 -6.392 -3.033 -45.770 18 HA SER 5 HA SER 5 -4.845 -3.519 -44.325 19 HB2 SER 5 1HB SER 5 -3.353 -2.636 -46.454 20 HB3 SER 5 2HB SER 5 -2.805 -1.529 -45.211 21 HG SER 5 HG SER 5 -1.556 -3.552 -45.356 22 H SER 6 H SER 6 -5.928 -2.694 -42.490 23 HA SER 6 HA SER 6 -4.921 -0.106 -41.627 24 HB2 SER 6 1HB SER 6 -7.573 -0.565 -42.420 25 HB3 SER 6 2HB SER 6 -7.648 -0.685 -40.673 26 HG SER 6 HG SER 6 -7.429 1.435 -40.533 27 H GLY 7 H GLY 7 -4.562 0.063 -39.337 28 HA2 GLY 7 1HA GLY 7 -4.292 -2.510 -38.011 29 HA3 GLY 7 2HA GLY 7 -3.667 -0.960 -37.485 30 H GLY 8 H GLY 8 -4.691 -2.179 -35.426 31 HA2 GLY 8 1HA GLY 8 -7.330 -0.931 -35.038 32 HA3 GLY 8 2HA GLY 8 -7.103 -2.626 -34.657 33 H GLY 9 H GLY 9 -5.841 -3.265 -32.833 34 HA2 GLY 9 1HA GLY 9 -4.318 -1.392 -31.318 35 HA3 GLY 9 2HA GLY 9 -5.903 -1.635 -30.612 36 H GLN 10 H GLN 10 -4.506 -2.533 -28.786 37 HA GLN 10 HA GLN 10 -4.095 -5.368 -29.315 38 HB2 GLN 10 1HB GLN 10 -2.065 -3.485 -28.680 39 HB3 GLN 10 2HB GLN 10 -2.334 -4.391 -27.205 40 HG2 GLN 10 1HG GLN 10 -2.318 -6.475 -28.928 41 HG3 GLN 10 2HG GLN 10 -1.358 -5.363 -29.883 42 HE21 GLN 10 1HE2 GLN 10 0.583 -6.305 -29.703 43 HE22 GLN 10 2HE2 GLN 10 1.476 -6.495 -28.231 44 H ILE 11 H ILE 11 -3.918 -6.589 -27.048 45 HA ILE 11 HA ILE 11 -5.941 -5.390 -25.284 46 HB ILE 11 HB ILE 11 -5.600 -8.250 -26.176 47 HG12 ILE 11 1HG1 ILE 11 -8.240 -7.541 -26.473 48 HG13 ILE 11 2HG1 ILE 11 -7.424 -6.040 -26.860 49 HG21 ILE 11 1HG2 ILE 11 -7.311 -8.897 -24.621 50 HG22 ILE 11 2HG2 ILE 11 -6.000 -8.096 -23.721 51 HG23 ILE 11 3HG2 ILE 11 -7.510 -7.218 -24.065 52 HD11 ILE 11 1HD1 ILE 11 -6.688 -8.737 -28.085 53 HD12 ILE 11 2HD1 ILE 11 -7.757 -7.541 -28.855 54 HD13 ILE 11 3HD1 ILE 11 -6.048 -7.145 -28.556 55 H VAL 12 H VAL 12 -5.730 -5.914 -22.992 56 HA VAL 12 HA VAL 12 -3.095 -6.953 -22.265 57 HB VAL 12 HB VAL 12 -4.304 -4.361 -21.278 58 HG11 VAL 12 1HG1 VAL 12 -1.518 -5.209 -20.596 59 HG12 VAL 12 2HG1 VAL 12 -2.670 -4.209 -19.678 60 HG13 VAL 12 3HG1 VAL 12 -2.865 -5.978 -19.722 61 HG21 VAL 12 1HG2 VAL 12 -3.263 -4.358 -23.596 62 HG22 VAL 12 2HG2 VAL 12 -2.561 -3.218 -22.423 63 HG23 VAL 12 3HG2 VAL 12 -1.714 -4.736 -22.804 64 H HIS 13 H HIS 13 -3.119 -8.244 -20.440 65 HA HIS 13 HA HIS 13 -5.521 -9.332 -19.649 66 HB2 HIS 13 1HB HIS 13 -2.765 -9.716 -19.138 67 HB3 HIS 13 2HB HIS 13 -3.530 -9.565 -17.569 68 HD1 HIS 13 1HD HIS 13 -2.396 -12.274 -18.241 69 HD2 HIS 13 2HD HIS 13 -6.316 -11.166 -19.241 70 HE1 HIS 13 1HE HIS 13 -3.701 -14.447 -18.531 71 H THR 14 H THR 14 -3.369 -7.426 -17.430 72 HA THR 14 HA THR 14 -5.794 -6.089 -16.437 73 HB THR 14 HB THR 14 -3.532 -6.979 -14.610 74 HG1 THR 14 1HG THR 14 -4.347 -9.040 -14.805 75 HG21 THR 14 1HG2 THR 14 -5.352 -5.491 -13.702 76 HG22 THR 14 2HG2 THR 14 -6.560 -6.683 -14.239 77 HG23 THR 14 3HG2 THR 14 -5.391 -7.112 -12.967 78 H GLU 15 H GLU 15 -5.397 -4.016 -15.368 79 HA GLU 15 HA GLU 15 -3.128 -2.747 -16.659 80 HB2 GLU 15 1HB GLU 15 -5.745 -1.664 -15.547 81 HB3 GLU 15 2HB GLU 15 -4.429 -0.608 -16.023 82 HG2 GLU 15 1HG GLU 15 -4.596 -2.251 -18.236 83 HG3 GLU 15 2HG GLU 15 -6.271 -2.228 -17.721 84 H THR 16 H THR 16 -2.016 -0.943 -15.383 85 HA THR 16 HA THR 16 -2.204 -1.147 -12.511 86 HB THR 16 HB THR 16 0.381 -1.686 -12.516 87 HG1 THR 16 1HG THR 16 0.443 -1.493 -14.905 88 HG21 THR 16 1HG2 THR 16 -1.779 -3.323 -12.103 89 HG22 THR 16 2HG2 THR 16 -1.087 -4.088 -13.554 90 HG23 THR 16 3HG2 THR 16 -0.101 -3.916 -12.082 91 H THR 17 H THR 17 -1.089 0.557 -11.407 92 HA THR 17 HA THR 17 -0.127 2.665 -13.221 93 HB THR 17 HB THR 17 -2.583 2.859 -12.273 94 HG1 THR 17 1HG THR 17 -1.939 5.210 -11.845 95 HG21 THR 17 1HG2 THR 17 -0.884 3.723 -9.872 96 HG22 THR 17 2HG2 THR 17 -2.629 4.021 -10.064 97 HG23 THR 17 3HG2 THR 17 -2.024 2.356 -9.882 98 H GLU 18 H GLU 18 1.663 3.801 -12.580 99 HA GLU 18 HA GLU 18 2.979 2.649 -10.279 100 HB2 GLU 18 1HB GLU 18 4.143 2.796 -12.512 101 HB3 GLU 18 2HB GLU 18 4.080 4.543 -12.402 102 HG2 GLU 18 1HG GLU 18 5.525 4.584 -10.473 103 HG3 GLU 18 2HG GLU 18 5.333 2.865 -10.193 104 H VAL 19 H VAL 19 2.907 3.674 -8.331 105 HA VAL 19 HA VAL 19 2.240 6.526 -8.359 106 HB VAL 19 HB VAL 19 2.020 4.425 -6.195 107 HG11 VAL 19 1HG1 VAL 19 1.938 7.347 -6.098 108 HG12 VAL 19 2HG1 VAL 19 0.452 6.599 -5.466 109 HG13 VAL 19 3HG1 VAL 19 2.033 6.159 -4.776 110 HG21 VAL 19 1HG2 VAL 19 0.346 4.953 -8.400 111 HG22 VAL 19 2HG2 VAL 19 -0.016 3.950 -6.975 112 HG23 VAL 19 3HG2 VAL 19 -0.466 5.672 -6.989 113 H VAL 20 H VAL 20 3.838 7.966 -7.976 114 HA VAL 20 HA VAL 20 6.229 6.936 -6.613 115 HB VAL 20 HB VAL 20 5.888 9.134 -8.662 116 HG11 VAL 20 1HG1 VAL 20 8.198 9.615 -8.499 117 HG12 VAL 20 2HG1 VAL 20 7.608 9.564 -6.820 118 HG13 VAL 20 3HG1 VAL 20 8.510 8.183 -7.489 119 HG21 VAL 20 1HG2 VAL 20 7.036 6.342 -8.755 120 HG22 VAL 20 2HG2 VAL 20 5.833 7.099 -9.827 121 HG23 VAL 20 3HG2 VAL 20 7.540 7.595 -9.915 122 H LEU 21 H LEU 21 6.395 7.590 -4.538 123 HA LEU 21 HA LEU 21 5.187 10.184 -3.877 124 HB2 LEU 21 1HB LEU 21 5.679 7.880 -1.995 125 HB3 LEU 21 2HB LEU 21 4.786 9.354 -1.675 126 HG LEU 21 HG LEU 21 3.950 7.226 -3.665 127 HD11 LEU 21 1HD1 LEU 21 3.371 7.604 -0.759 128 HD12 LEU 21 2HD1 LEU 21 2.067 7.018 -1.820 129 HD13 LEU 21 3HD1 LEU 21 3.594 6.111 -1.703 130 HD21 LEU 21 1HD2 LEU 21 2.112 9.329 -2.588 131 HD22 LEU 21 2HD2 LEU 21 3.238 9.747 -3.901 132 HD23 LEU 21 3HD2 LEU 21 2.056 8.435 -4.126 133 H CYS 22 H CYS 22 6.374 11.633 -2.535 134 HA CYS 22 HA CYS 22 9.181 10.878 -2.196 135 HB2 CYS 22 1HB CYS 22 9.482 13.504 -2.626 136 HB3 CYS 22 2HB CYS 22 9.569 12.317 -3.912 137 HG CYS 22 HG CYS 22 7.647 14.742 -3.453 138 H GLY 23 H GLY 23 9.589 10.888 -0.014 139 HA2 GLY 23 1HA GLY 23 8.495 13.083 1.594 140 HA3 GLY 23 2HA GLY 23 8.108 11.439 2.063 141 H ASP 24 H ASP 24 9.393 12.637 4.011 142 HA ASP 24 HA ASP 24 12.227 12.435 3.615 143 HB2 ASP 24 1HB ASP 24 10.374 13.635 5.573 144 HB3 ASP 24 2HB ASP 24 11.717 12.829 6.358 145 HA PRO 25 HA PRO 25 12.570 8.559 5.644 146 HB2 PRO 25 1HB PRO 25 14.828 8.766 7.169 147 HB3 PRO 25 2HB PRO 25 14.863 8.498 5.438 148 HG2 PRO 25 1HG PRO 25 15.442 10.976 6.942 149 HG3 PRO 25 2HG PRO 25 15.872 10.567 5.293 150 HD2 PRO 25 1HD PRO 25 13.763 12.321 6.132 151 HD3 PRO 25 2HD PRO 25 14.120 11.821 4.491 152 H LEU 26 H LEU 26 12.334 11.322 7.651 153 HA LEU 26 HA LEU 26 11.732 9.659 9.955 154 HB2 LEU 26 1HB LEU 26 12.533 12.441 9.461 155 HB3 LEU 26 2HB LEU 26 11.306 12.261 10.700 156 HG LEU 26 HG LEU 26 13.877 10.670 10.729 157 HD11 LEU 26 1HD1 LEU 26 14.811 12.756 10.869 158 HD12 LEU 26 2HD1 LEU 26 13.361 13.485 11.600 159 HD13 LEU 26 3HD1 LEU 26 14.433 12.459 12.583 160 HD21 LEU 26 1HD2 LEU 26 11.772 11.283 12.815 161 HD22 LEU 26 2HD2 LEU 26 12.198 9.701 12.120 162 HD23 LEU 26 3HD2 LEU 26 13.351 10.548 13.179 163 H SER 27 H SER 27 10.174 12.051 7.739 164 HA SER 27 HA SER 27 7.662 11.630 9.027 165 HB2 SER 27 1HB SER 27 8.766 13.413 6.911 166 HB3 SER 27 2HB SER 27 7.077 12.994 6.707 167 HG SER 27 HG SER 27 6.576 13.887 8.726 168 H GLY 28 H GLY 28 9.499 9.733 7.036 169 HA2 GLY 28 1HA GLY 28 9.103 8.117 5.515 170 HA3 GLY 28 2HA GLY 28 7.623 7.860 6.417 171 H PHE 29 H PHE 29 5.783 7.919 5.212 172 HA PHE 29 HA PHE 29 5.717 9.829 2.991 173 HB2 PHE 29 1HB PHE 29 5.004 6.853 3.165 174 HB3 PHE 29 2HB PHE 29 4.277 7.862 1.930 175 HD1 PHE 29 1HD PHE 29 6.568 9.588 1.180 176 HD2 PHE 29 2HD PHE 29 6.407 5.424 1.980 177 HE1 PHE 29 1HE PHE 29 8.568 9.228 -0.293 178 HE2 PHE 29 2HE PHE 29 8.407 5.064 0.507 179 HZ PHE 29 HZ PHE 29 9.464 6.970 -0.612 180 H GLY 30 H GLY 30 3.283 7.358 3.892 181 HA2 GLY 30 1HA GLY 30 1.677 8.404 5.695 182 HA3 GLY 30 2HA GLY 30 1.362 9.509 4.372 183 H LEU 31 H LEU 31 1.800 5.916 4.797 184 HA LEU 31 HA LEU 31 -0.834 5.491 3.714 185 HB2 LEU 31 1HB LEU 31 -0.319 4.500 1.741 186 HB3 LEU 31 2HB LEU 31 0.895 5.762 1.792 187 HG LEU 31 HG LEU 31 2.125 3.575 3.034 188 HD11 LEU 31 1HD1 LEU 31 0.153 2.260 2.063 189 HD12 LEU 31 2HD1 LEU 31 0.896 2.559 0.474 190 HD13 LEU 31 3HD1 LEU 31 1.795 1.663 1.722 191 HD21 LEU 31 1HD2 LEU 31 3.124 3.525 0.494 192 HD22 LEU 31 2HD2 LEU 31 2.394 5.147 0.558 193 HD23 LEU 31 3HD2 LEU 31 3.613 4.672 1.765 194 H GLN 32 H GLN 32 -1.725 3.568 4.461 195 HA GLN 32 HA GLN 32 0.105 1.994 6.101 196 HB2 GLN 32 1HB GLN 32 -2.526 3.189 6.674 197 HB3 GLN 32 2HB GLN 32 -2.482 1.478 7.049 198 HG2 GLN 32 1HG GLN 32 -0.312 3.408 7.978 199 HG3 GLN 32 2HG GLN 32 -1.747 3.083 8.929 200 HE21 GLN 32 1HE2 GLN 32 1.114 2.530 9.398 201 HE22 GLN 32 2HE2 GLN 32 1.248 0.836 9.734 202 H LEU 33 H LEU 33 0.252 -0.191 5.671 203 HA LEU 33 HA LEU 33 -1.382 -1.156 3.469 204 HB2 LEU 33 1HB LEU 33 1.169 -2.063 4.774 205 HB3 LEU 33 2HB LEU 33 0.265 -3.127 3.715 206 HG LEU 33 HG LEU 33 1.365 -0.412 2.935 207 HD11 LEU 33 1HD1 LEU 33 2.374 -3.195 2.284 208 HD12 LEU 33 2HD1 LEU 33 2.992 -1.677 1.591 209 HD13 LEU 33 3HD1 LEU 33 3.164 -1.995 3.334 210 HD21 LEU 33 1HD2 LEU 33 -0.095 -2.529 1.339 211 HD22 LEU 33 2HD2 LEU 33 -0.585 -0.843 1.633 212 HD23 LEU 33 3HD2 LEU 33 0.828 -1.193 0.609 213 H GLN 34 H GLN 34 -2.468 -3.259 3.591 214 HA GLN 34 HA GLN 34 -3.100 -3.973 6.344 215 HB2 GLN 34 1HB GLN 34 -5.092 -2.911 5.795 216 HB3 GLN 34 2HB GLN 34 -4.943 -3.262 4.084 217 HG2 GLN 34 1HG GLN 34 -5.790 -5.450 4.312 218 HG3 GLN 34 2HG GLN 34 -5.324 -5.571 5.997 219 HE21 GLN 34 1HE2 GLN 34 -7.654 -4.385 3.711 220 HE22 GLN 34 2HE2 GLN 34 -8.914 -3.964 4.823 221 H GLY 35 H GLY 35 -2.398 -6.030 6.704 222 HA2 GLY 35 1HA GLY 35 -3.071 -8.114 4.805 223 HA3 GLY 35 2HA GLY 35 -1.356 -7.795 4.973 224 H GLY 36 H GLY 36 -0.805 -9.754 6.008 225 HA2 GLY 36 1HA GLY 36 -2.185 -11.002 8.051 226 HA3 GLY 36 2HA GLY 36 -0.460 -11.114 7.764 227 H ILE 37 H ILE 37 -1.659 -11.158 10.380 228 HA ILE 37 HA ILE 37 -1.311 -8.517 11.482 229 HB ILE 37 HB ILE 37 -2.017 -11.201 12.658 230 HG12 ILE 37 1HG1 ILE 37 -3.679 -8.685 12.358 231 HG13 ILE 37 2HG1 ILE 37 -3.700 -10.014 11.216 232 HG21 ILE 37 1HG2 ILE 37 -2.244 -10.244 14.793 233 HG22 ILE 37 2HG2 ILE 37 -0.659 -9.691 14.202 234 HG23 ILE 37 3HG2 ILE 37 -2.056 -8.588 14.168 235 HD11 ILE 37 1HD1 ILE 37 -4.591 -10.015 14.118 236 HD12 ILE 37 2HD1 ILE 37 -5.513 -10.489 12.671 237 HD13 ILE 37 3HD1 ILE 37 -4.206 -11.536 13.276 238 H PHE 38 H PHE 38 0.334 -11.738 11.593 239 HA PHE 38 HA PHE 38 2.442 -10.719 13.218 240 HB2 PHE 38 1HB PHE 38 2.230 -13.208 11.421 241 HB3 PHE 38 2HB PHE 38 3.362 -13.012 12.744 242 HD1 PHE 38 2HD PHE 38 2.519 -12.984 15.091 243 HD2 PHE 38 1HD PHE 38 -0.013 -13.910 11.814 244 HE1 PHE 38 2HE PHE 38 0.858 -14.014 16.665 245 HE2 PHE 38 1HE PHE 38 -1.674 -14.940 13.388 246 HZ PHE 38 HZ PHE 38 -1.219 -14.980 15.795 247 H ALA 39 H ALA 39 4.338 -9.762 12.605 248 HA ALA 39 HA ALA 39 4.710 -8.705 10.122 249 HB1 ALA 39 1HB ALA 39 6.120 -8.912 12.594 250 HB2 ALA 39 2HB ALA 39 7.268 -9.316 11.295 251 HB3 ALA 39 3HB ALA 39 6.398 -7.763 11.262 252 H THR 40 H THR 40 5.581 -11.955 11.352 253 HA THR 40 HA THR 40 7.070 -12.614 8.982 254 HB THR 40 HB THR 40 7.051 -14.897 10.148 255 HG1 THR 40 1HG THR 40 6.091 -14.617 12.395 256 HG21 THR 40 1HG2 THR 40 8.466 -14.248 11.989 257 HG22 THR 40 2HG2 THR 40 8.736 -13.004 10.745 258 HG23 THR 40 3HG2 THR 40 7.674 -12.660 12.131 259 H GLU 41 H GLU 41 6.216 -15.200 8.390 260 HA GLU 41 HA GLU 41 4.775 -16.329 7.216 261 HB2 GLU 41 1HB GLU 41 2.617 -14.389 8.156 262 HB3 GLU 41 2HB GLU 41 2.343 -15.964 7.438 263 HG2 GLU 41 1HG GLU 41 4.125 -16.506 9.548 264 HG3 GLU 41 2HG GLU 41 3.067 -15.277 10.212 265 H THR 42 H THR 42 5.022 -16.228 5.030 266 HA THR 42 HA THR 42 5.332 -13.861 3.620 267 HB THR 42 HB THR 42 4.588 -16.712 2.797 268 HG1 THR 42 1HG THR 42 6.691 -16.518 3.686 269 HG21 THR 42 1HG2 THR 42 5.668 -14.409 1.089 270 HG22 THR 42 2HG2 THR 42 5.452 -16.093 0.554 271 HG23 THR 42 3HG2 THR 42 4.031 -15.094 0.946 272 H LEU 43 H LEU 43 3.998 -12.975 1.841 273 HA LEU 43 HA LEU 43 1.225 -12.862 2.757 274 HB2 LEU 43 1HB LEU 43 2.921 -11.014 1.084 275 HB3 LEU 43 2HB LEU 43 1.188 -10.823 1.256 276 HG LEU 43 HG LEU 43 3.206 -10.738 3.517 277 HD11 LEU 43 1HD1 LEU 43 3.580 -8.716 2.545 278 HD12 LEU 43 2HD1 LEU 43 1.965 -8.642 1.799 279 HD13 LEU 43 3HD1 LEU 43 2.162 -8.288 3.533 280 HD21 LEU 43 1HD2 LEU 43 1.185 -9.813 4.786 281 HD22 LEU 43 2HD2 LEU 43 0.197 -10.517 3.483 282 HD23 LEU 43 3HD2 LEU 43 1.235 -11.566 4.479 283 H SER 44 H SER 44 -0.217 -14.137 1.740 284 HA SER 44 HA SER 44 0.498 -15.339 -0.723 285 HB2 SER 44 1HB SER 44 -1.671 -15.579 1.290 286 HB3 SER 44 2HB SER 44 -2.189 -15.910 -0.351 287 HG SER 44 HG SER 44 0.042 -17.164 1.011 288 H SER 45 H SER 45 -1.314 -12.505 0.341 289 HA SER 45 HA SER 45 -1.935 -11.993 -2.452 290 HB2 SER 45 1HB SER 45 -3.983 -10.720 -1.004 291 HB3 SER 45 2HB SER 45 -4.147 -12.140 -2.018 292 HG SER 45 HG SER 45 -3.267 -13.227 0.144 293 HA PRO 46 HA PRO 46 -0.407 -8.021 -1.541 294 HB2 PRO 46 1HB PRO 46 -1.864 -6.357 -3.145 295 HB3 PRO 46 2HB PRO 46 -0.536 -7.335 -3.735 296 HG2 PRO 46 1HG PRO 46 -3.442 -7.748 -4.088 297 HG3 PRO 46 2HG PRO 46 -2.116 -8.443 -4.999 298 HD2 PRO 46 1HD PRO 46 -3.684 -9.750 -2.984 299 HD3 PRO 46 2HD PRO 46 -2.286 -10.405 -3.812 300 HA PRO 47 HA PRO 47 -2.711 -6.295 1.594 301 HB2 PRO 47 1HB PRO 47 -0.984 -4.345 2.420 302 HB3 PRO 47 2HB PRO 47 -0.860 -6.015 2.935 303 HG2 PRO 47 1HG PRO 47 0.805 -4.551 0.980 304 HG3 PRO 47 2HG PRO 47 1.156 -6.051 1.815 305 HD2 PRO 47 1HD PRO 47 0.327 -5.760 -0.916 306 HD3 PRO 47 2HD PRO 47 0.566 -7.264 -0.048 307 H LEU 48 H LEU 48 -4.299 -4.796 1.930 308 HA LEU 48 HA LEU 48 -4.490 -2.911 -0.277 309 HB2 LEU 48 1HB LEU 48 -6.582 -3.341 1.826 310 HB3 LEU 48 2HB LEU 48 -6.767 -2.800 0.169 311 HG LEU 48 HG LEU 48 -5.652 -5.502 0.339 312 HD11 LEU 48 1HD1 LEU 48 -8.273 -4.900 1.706 313 HD12 LEU 48 2HD1 LEU 48 -7.929 -6.487 0.976 314 HD13 LEU 48 3HD1 LEU 48 -6.898 -5.869 2.289 315 HD21 LEU 48 1HD2 LEU 48 -6.670 -5.680 -1.631 316 HD22 LEU 48 2HD2 LEU 48 -8.242 -5.194 -0.953 317 HD23 LEU 48 3HD2 LEU 48 -7.077 -3.954 -1.476 318 H VAL 49 H VAL 49 -5.261 -0.643 0.244 319 HA VAL 49 HA VAL 49 -3.455 0.478 2.129 320 HB VAL 49 HB VAL 49 -5.624 1.566 0.340 321 HG11 VAL 49 1HG1 VAL 49 -5.677 3.488 1.466 322 HG12 VAL 49 2HG1 VAL 49 -4.568 2.815 2.685 323 HG13 VAL 49 3HG1 VAL 49 -3.918 3.663 1.261 324 HG21 VAL 49 1HG2 VAL 49 -3.441 2.716 -0.586 325 HG22 VAL 49 2HG2 VAL 49 -2.630 1.363 0.239 326 HG23 VAL 49 3HG2 VAL 49 -3.839 1.038 -1.027 327 H CYS 50 H CYS 50 -3.949 -0.292 4.212 328 HA CYS 50 HA CYS 50 -6.460 -0.524 5.277 329 HB2 CYS 50 1HB CYS 50 -4.081 -1.188 6.193 330 HB3 CYS 50 2HB CYS 50 -4.166 0.362 7.007 331 HG CYS 50 HG CYS 50 -6.840 -1.510 6.988 332 H PHE 51 H PHE 51 -4.127 2.264 5.439 333 HA PHE 51 HA PHE 51 -6.362 4.084 5.466 334 HB2 PHE 51 1HB PHE 51 -6.183 3.764 7.848 335 HB3 PHE 51 2HB PHE 51 -4.451 3.508 7.769 336 HD1 PHE 51 2HD PHE 51 -7.107 6.026 7.850 337 HD2 PHE 51 1HD PHE 51 -2.914 5.381 7.748 338 HE1 PHE 51 2HE PHE 51 -6.723 8.422 8.491 339 HE2 PHE 51 1HE PHE 51 -2.530 7.778 8.389 340 HZ PHE 51 HZ PHE 51 -4.439 9.269 8.753 341 H ILE 52 H ILE 52 -5.508 6.441 5.478 342 HA ILE 52 HA ILE 52 -2.799 6.571 4.394 343 HB ILE 52 HB ILE 52 -5.339 7.290 2.998 344 HG12 ILE 52 1HG1 ILE 52 -2.720 6.233 1.910 345 HG13 ILE 52 2HG1 ILE 52 -3.976 5.192 2.549 346 HG21 ILE 52 1HG2 ILE 52 -2.849 8.917 3.032 347 HG22 ILE 52 2HG2 ILE 52 -3.614 8.623 1.452 348 HG23 ILE 52 3HG2 ILE 52 -4.540 9.400 2.759 349 HD11 ILE 52 1HD1 ILE 52 -4.152 7.065 0.157 350 HD12 ILE 52 2HD1 ILE 52 -4.371 5.299 0.189 351 HD13 ILE 52 3HD1 ILE 52 -5.598 6.361 0.919 352 H GLU 53 H GLU 53 -1.724 8.537 4.817 353 HA GLU 53 HA GLU 53 -2.807 9.919 7.041 354 HB2 GLU 53 1HB GLU 53 -0.221 9.893 5.528 355 HB3 GLU 53 2HB GLU 53 -0.585 11.356 6.421 356 HG2 GLU 53 1HG GLU 53 -1.254 9.405 8.276 357 HG3 GLU 53 2HG GLU 53 0.079 8.639 7.434 358 HA PRO 54 HA PRO 54 -4.608 13.199 4.832 359 HB2 PRO 54 1HB PRO 54 -4.883 15.043 6.830 360 HB3 PRO 54 2HB PRO 54 -5.999 13.713 6.595 361 HG2 PRO 54 1HG PRO 54 -3.899 14.029 8.651 362 HG3 PRO 54 2HG PRO 54 -5.276 12.946 8.646 363 HD2 PRO 54 1HD PRO 54 -2.547 12.254 8.099 364 HD3 PRO 54 2HD PRO 54 -3.940 11.197 7.981 365 H ASP 55 H ASP 55 -4.013 14.751 3.425 366 HA ASP 55 HA ASP 55 -2.763 16.275 2.520 367 HB2 ASP 55 1HB ASP 55 -3.016 17.370 4.851 368 HB3 ASP 55 2HB ASP 55 -1.418 16.750 5.215 369 H SER 56 H SER 56 -1.784 13.386 3.471 370 HA SER 56 HA SER 56 1.039 13.708 3.532 371 HB2 SER 56 1HB SER 56 1.049 11.542 4.241 372 HB3 SER 56 2HB SER 56 -0.677 11.772 4.432 373 HG SER 56 HG SER 56 -0.967 10.265 2.953 374 HA PRO 57 HA PRO 57 1.879 12.947 -0.685 375 HB2 PRO 57 1HB PRO 57 3.721 10.932 -0.806 376 HB3 PRO 57 2HB PRO 57 4.131 12.580 -0.373 377 HG2 PRO 57 1HG PRO 57 3.888 10.210 1.377 378 HG3 PRO 57 2HG PRO 57 4.692 11.734 1.698 379 HD2 PRO 57 1HD PRO 57 2.143 10.892 2.709 380 HD3 PRO 57 2HD PRO 57 2.894 12.459 2.935 381 H ALA 58 H ALA 58 1.326 9.829 0.850 382 HA ALA 58 HA ALA 58 0.594 8.503 -1.489 383 HB1 ALA 58 1HB ALA 58 0.945 7.891 1.189 384 HB2 ALA 58 2HB ALA 58 -0.808 7.676 0.969 385 HB3 ALA 58 3HB ALA 58 0.335 6.772 -0.054 386 H GLU 59 H GLU 59 -1.070 10.871 0.527 387 HA GLU 59 HA GLU 59 -3.625 10.169 -0.564 388 HB2 GLU 59 1HB GLU 59 -3.366 10.969 1.791 389 HB3 GLU 59 2HB GLU 59 -2.800 12.518 1.199 390 HG2 GLU 59 1HG GLU 59 -4.922 13.239 0.842 391 HG3 GLU 59 2HG GLU 59 -5.295 11.833 -0.135 392 H ARG 60 H ARG 60 -1.157 12.784 -0.857 393 HA ARG 60 HA ARG 60 -2.552 14.521 -2.385 394 HB2 ARG 60 1HB ARG 60 0.379 13.749 -2.272 395 HB3 ARG 60 2HB ARG 60 -0.143 14.921 -3.466 396 HG2 ARG 60 1HG ARG 60 -1.409 15.798 -1.119 397 HG3 ARG 60 2HG ARG 60 0.144 15.226 -0.542 398 HD2 ARG 60 1HD ARG 60 1.357 16.800 -1.802 399 HD3 ARG 60 2HD ARG 60 0.106 16.953 -3.020 400 HE ARG 60 HE ARG 60 -0.767 17.882 -0.388 401 HH11 ARG 60 2HH2 ARG 60 0.922 18.799 -3.336 402 HH12 ARG 60 1HH2 ARG 60 0.628 20.493 -3.130 403 HH21 ARG 60 2HH1 ARG 60 -1.155 20.117 -0.115 404 HH22 ARG 60 1HH1 ARG 60 -0.561 21.248 -1.285 405 H CYS 61 H CYS 61 -1.167 11.368 -3.245 406 HA CYS 61 HA CYS 61 -1.073 11.706 -6.009 407 HB2 CYS 61 1HB CYS 61 -0.622 9.601 -4.132 408 HB3 CYS 61 2HB CYS 61 -1.707 8.983 -5.362 409 HG CYS 61 HG CYS 61 0.767 10.923 -6.267 410 H GLY 62 H GLY 62 -3.677 11.110 -3.673 411 HA2 GLY 62 1HA GLY 62 -5.915 11.133 -3.913 412 HA3 GLY 62 2HA GLY 62 -5.703 11.733 -5.546 413 H LEU 63 H LEU 63 -4.585 9.868 -7.061 414 HA LEU 63 HA LEU 63 -6.481 8.064 -7.657 415 HB2 LEU 63 1HB LEU 63 -5.056 7.657 -9.278 416 HB3 LEU 63 2HB LEU 63 -3.856 8.624 -8.443 417 HG LEU 63 HG LEU 63 -3.230 6.482 -7.176 418 HD11 LEU 63 1HD1 LEU 63 -4.308 4.921 -9.468 419 HD12 LEU 63 2HD1 LEU 63 -4.017 4.441 -7.780 420 HD13 LEU 63 3HD1 LEU 63 -5.453 5.407 -8.195 421 HD21 LEU 63 1HD2 LEU 63 -2.718 6.587 -10.161 422 HD22 LEU 63 2HD2 LEU 63 -1.849 7.530 -8.926 423 HD23 LEU 63 3HD2 LEU 63 -1.728 5.754 -8.939 424 H LEU 64 H LEU 64 -3.854 7.688 -5.223 425 HA LEU 64 HA LEU 64 -4.602 5.002 -4.627 426 HB2 LEU 64 1HB LEU 64 -2.318 5.848 -4.393 427 HB3 LEU 64 2HB LEU 64 -2.846 6.972 -3.156 428 HG LEU 64 HG LEU 64 -3.714 4.606 -2.098 429 HD11 LEU 64 1HD1 LEU 64 -2.215 2.850 -2.443 430 HD12 LEU 64 2HD1 LEU 64 -2.524 3.479 -4.080 431 HD13 LEU 64 3HD1 LEU 64 -1.014 3.899 -3.235 432 HD21 LEU 64 1HD2 LEU 64 -1.908 6.612 -1.459 433 HD22 LEU 64 2HD2 LEU 64 -2.428 5.274 -0.407 434 HD23 LEU 64 3HD2 LEU 64 -0.939 5.121 -1.370 435 H GLN 65 H GLN 65 -5.746 4.210 -2.811 436 HA GLN 65 HA GLN 65 -6.749 5.939 -0.858 437 HB2 GLN 65 1HB GLN 65 -9.174 5.812 -1.451 438 HB3 GLN 65 2HB GLN 65 -8.247 6.749 -2.606 439 HG2 GLN 65 1HG GLN 65 -8.018 4.413 -3.873 440 HG3 GLN 65 2HG GLN 65 -9.427 3.981 -2.926 441 HE21 GLN 65 1HE2 GLN 65 -10.212 3.816 -5.217 442 HE22 GLN 65 2HE2 GLN 65 -10.974 5.207 -5.915 443 H VAL 66 H VAL 66 -8.280 4.734 0.660 444 HA VAL 66 HA VAL 66 -7.272 2.241 1.252 445 HB VAL 66 HB VAL 66 -9.861 3.615 1.970 446 HG11 VAL 66 1HG1 VAL 66 -9.081 1.618 3.894 447 HG12 VAL 66 2HG1 VAL 66 -10.614 1.790 3.006 448 HG13 VAL 66 3HG1 VAL 66 -9.272 0.864 2.293 449 HG21 VAL 66 1HG2 VAL 66 -7.148 3.361 3.277 450 HG22 VAL 66 2HG2 VAL 66 -8.055 4.835 2.860 451 HG23 VAL 66 3HG2 VAL 66 -8.602 3.803 4.203 452 H GLY 67 H GLY 67 -7.793 0.132 0.722 453 HA2 GLY 67 1HA GLY 67 -9.383 -1.469 -0.048 454 HA3 GLY 67 2HA GLY 67 -10.086 -0.252 -1.096 455 H ASP 68 H ASP 68 -7.449 0.862 -1.969 456 HA ASP 68 HA ASP 68 -7.116 -0.462 -4.267 457 HB2 ASP 68 1HB ASP 68 -5.123 1.073 -2.557 458 HB3 ASP 68 2HB ASP 68 -4.663 0.451 -4.130 459 H ARG 69 H ARG 69 -4.852 -1.614 -4.922 460 HA ARG 69 HA ARG 69 -4.194 -3.492 -2.801 461 HB2 ARG 69 1HB ARG 69 -4.815 -4.063 -5.732 462 HB3 ARG 69 2HB ARG 69 -3.909 -5.201 -4.755 463 HG2 ARG 69 1HG ARG 69 -5.867 -6.023 -3.965 464 HG3 ARG 69 2HG ARG 69 -6.152 -4.491 -3.163 465 HD2 ARG 69 1HD ARG 69 -8.068 -4.682 -4.518 466 HD3 ARG 69 2HD ARG 69 -7.031 -3.682 -5.515 467 HE ARG 69 HE ARG 69 -6.689 -6.559 -5.987 468 HH11 ARG 69 2HH2 ARG 69 -8.492 -3.673 -6.882 469 HH12 ARG 69 1HH2 ARG 69 -8.960 -4.290 -8.431 470 HH21 ARG 69 2HH1 ARG 69 -7.307 -7.374 -8.031 471 HH22 ARG 69 1HH1 ARG 69 -8.282 -6.410 -9.089 472 H VAL 70 H VAL 70 -1.977 -3.807 -2.510 473 HA VAL 70 HA VAL 70 -0.249 -2.393 -4.400 474 HB VAL 70 HB VAL 70 0.043 -3.246 -1.521 475 HG11 VAL 70 1HG1 VAL 70 2.307 -1.995 -1.746 476 HG12 VAL 70 2HG1 VAL 70 2.199 -3.682 -2.304 477 HG13 VAL 70 3HG1 VAL 70 2.151 -2.350 -3.484 478 HG21 VAL 70 1HG2 VAL 70 -0.499 -0.716 -2.962 479 HG22 VAL 70 2HG2 VAL 70 -0.948 -1.223 -1.316 480 HG23 VAL 70 3HG2 VAL 70 0.689 -0.606 -1.642 481 H LEU 71 H LEU 71 0.456 -3.694 -6.023 482 HA LEU 71 HA LEU 71 0.693 -6.514 -5.611 483 HB2 LEU 71 1HB LEU 71 1.508 -4.793 -7.956 484 HB3 LEU 71 2HB LEU 71 1.404 -6.542 -7.944 485 HG LEU 71 HG LEU 71 -0.844 -4.533 -7.814 486 HD11 LEU 71 1HD1 LEU 71 -1.481 -6.486 -9.649 487 HD12 LEU 71 2HD1 LEU 71 -0.757 -4.901 -10.014 488 HD13 LEU 71 3HD1 LEU 71 0.284 -6.333 -9.829 489 HD21 LEU 71 1HD2 LEU 71 -1.671 -5.964 -6.221 490 HD22 LEU 71 2HD2 LEU 71 -2.272 -6.737 -7.708 491 HD23 LEU 71 3HD2 LEU 71 -0.828 -7.382 -6.891 492 H SER 72 H SER 72 3.041 -3.868 -6.459 493 HA SER 72 HA SER 72 4.976 -5.304 -4.851 494 HB2 SER 72 1HB SER 72 6.706 -4.727 -6.704 495 HB3 SER 72 2HB SER 72 5.653 -6.104 -6.961 496 HG SER 72 HG SER 72 4.342 -3.948 -7.918 497 H ILE 73 H ILE 73 6.867 -3.879 -4.242 498 HA ILE 73 HA ILE 73 6.191 -1.035 -4.502 499 HB ILE 73 HB ILE 73 7.126 -2.434 -1.993 500 HG12 ILE 73 1HG1 ILE 73 4.433 -1.162 -2.549 501 HG13 ILE 73 2HG1 ILE 73 4.741 -2.883 -2.668 502 HG21 ILE 73 1HG2 ILE 73 7.274 0.312 -2.829 503 HG22 ILE 73 2HG2 ILE 73 6.154 0.161 -1.454 504 HG23 ILE 73 3HG2 ILE 73 7.823 -0.443 -1.314 505 HD11 ILE 73 1HD1 ILE 73 4.891 -1.122 -0.195 506 HD12 ILE 73 2HD1 ILE 73 3.897 -2.574 -0.461 507 HD13 ILE 73 3HD1 ILE 73 5.657 -2.728 -0.244 508 H ASN 74 H ASN 74 7.782 0.003 -5.565 509 HA ASN 74 HA ASN 74 9.770 0.644 -6.167 510 HB2 ASN 74 1HB ASN 74 10.290 -0.499 -3.574 511 HB3 ASN 74 2HB ASN 74 11.580 -1.041 -4.628 512 HD21 ASN 74 1HD2 ASN 74 10.938 1.165 -2.451 513 HD22 ASN 74 2HD2 ASN 74 11.803 2.551 -3.026 514 H GLY 75 H GLY 75 8.380 -2.176 -6.760 515 HA2 GLY 75 1HA GLY 75 8.887 -3.377 -8.740 516 HA3 GLY 75 2HA GLY 75 10.598 -3.190 -8.415 517 H ILE 76 H ILE 76 9.313 -3.742 -5.400 518 HA ILE 76 HA ILE 76 9.967 -6.575 -5.593 519 HB ILE 76 HB ILE 76 9.678 -4.735 -3.215 520 HG12 ILE 76 1HG1 ILE 76 11.611 -4.292 -4.766 521 HG13 ILE 76 2HG1 ILE 76 12.041 -4.661 -3.108 522 HG21 ILE 76 1HG2 ILE 76 9.220 -6.758 -2.250 523 HG22 ILE 76 2HG2 ILE 76 10.148 -7.677 -3.459 524 HG23 ILE 76 3HG2 ILE 76 10.999 -6.775 -2.182 525 HD11 ILE 76 1HD1 ILE 76 11.909 -7.174 -4.448 526 HD12 ILE 76 2HD1 ILE 76 12.787 -6.069 -5.532 527 HD13 ILE 76 3HD1 ILE 76 13.365 -6.330 -3.869 528 H ALA 77 H ALA 77 8.444 -8.149 -5.501 529 HA ALA 77 HA ALA 77 5.702 -7.355 -5.403 530 HB1 ALA 77 1HB ALA 77 6.242 -9.089 -6.923 531 HB2 ALA 77 2HB ALA 77 7.202 -9.970 -5.711 532 HB3 ALA 77 3HB ALA 77 5.428 -9.918 -5.575 533 H THR 78 H THR 78 4.365 -7.292 -3.656 534 HA THR 78 HA THR 78 5.444 -7.718 -1.071 535 HB THR 78 HB THR 78 3.024 -7.196 -0.437 536 HG1 THR 78 1HG THR 78 1.691 -6.744 -2.376 537 HG21 THR 78 1HG2 THR 78 3.538 -5.256 -2.645 538 HG22 THR 78 2HG2 THR 78 3.288 -4.950 -0.910 539 HG23 THR 78 3HG2 THR 78 4.890 -5.449 -1.503 540 H GLU 79 H GLU 79 3.855 -9.795 -3.406 541 HA GLU 79 HA GLU 79 2.958 -11.641 -1.454 542 HB2 GLU 79 1HB GLU 79 3.411 -12.248 -4.395 543 HB3 GLU 79 2HB GLU 79 2.243 -12.977 -3.311 544 HG2 GLU 79 1HG GLU 79 1.293 -10.526 -3.068 545 HG3 GLU 79 2HG GLU 79 2.199 -10.199 -4.532 546 H ASP 80 H ASP 80 6.021 -10.813 -2.710 547 HA ASP 80 HA ASP 80 7.013 -13.512 -2.311 548 HB2 ASP 80 1HB ASP 80 7.541 -11.827 -4.350 549 HB3 ASP 80 2HB ASP 80 8.757 -11.232 -3.238 550 H GLY 81 H GLY 81 6.155 -11.954 -0.024 551 HA2 GLY 81 1HA GLY 81 8.433 -12.081 1.625 552 HA3 GLY 81 2HA GLY 81 8.152 -10.410 1.179 553 H THR 82 H THR 82 7.930 -11.036 3.842 554 HA THR 82 HA THR 82 5.136 -11.590 4.420 555 HB THR 82 HB THR 82 5.982 -11.596 6.764 556 HG1 THR 82 1HG THR 82 7.819 -10.007 5.486 557 HG21 THR 82 1HG2 THR 82 6.448 -13.673 5.422 558 HG22 THR 82 2HG2 THR 82 7.977 -12.948 4.870 559 HG23 THR 82 3HG2 THR 82 7.748 -13.338 6.591 560 H MET 83 H MET 83 4.074 -10.133 6.145 561 HA MET 83 HA MET 83 3.470 -7.777 5.016 562 HB2 MET 83 1HB MET 83 2.513 -9.076 7.120 563 HB3 MET 83 2HB MET 83 3.619 -8.084 8.050 564 HG2 MET 83 1HG MET 83 1.397 -7.012 7.964 565 HG3 MET 83 2HG MET 83 2.570 -6.018 7.123 566 HE1 MET 83 1HE MET 83 0.713 -5.289 4.053 567 HE2 MET 83 2HE MET 83 0.953 -4.689 5.712 568 HE3 MET 83 3HE MET 83 2.347 -5.249 4.758 569 H GLU 84 H GLU 84 6.023 -8.379 7.511 570 HA GLU 84 HA GLU 84 6.721 -5.781 7.957 571 HB2 GLU 84 1HB GLU 84 7.578 -8.184 8.881 572 HB3 GLU 84 2HB GLU 84 8.927 -7.808 7.827 573 HG2 GLU 84 1HG GLU 84 7.848 -5.985 10.030 574 HG3 GLU 84 2HG GLU 84 9.298 -6.962 10.145 575 H GLU 85 H GLU 85 8.188 -8.101 5.567 576 HA GLU 85 HA GLU 85 10.066 -6.606 4.472 577 HB2 GLU 85 1HB GLU 85 8.172 -8.645 3.406 578 HB3 GLU 85 2HB GLU 85 8.980 -7.682 2.186 579 HG2 GLU 85 1HG GLU 85 10.784 -8.617 4.355 580 HG3 GLU 85 2HG GLU 85 10.060 -9.919 3.431 581 H ALA 86 H ALA 86 6.544 -6.392 3.630 582 HA ALA 86 HA ALA 86 6.762 -4.453 1.674 583 HB1 ALA 86 1HB ALA 86 4.461 -4.511 3.623 584 HB2 ALA 86 2HB ALA 86 4.439 -4.309 1.855 585 HB3 ALA 86 3HB ALA 86 4.758 -5.911 2.564 586 H ASN 87 H ASN 87 5.989 -3.997 5.202 587 HA ASN 87 HA ASN 87 5.990 -1.285 5.168 588 HB2 ASN 87 1HB ASN 87 6.579 -3.391 7.244 589 HB3 ASN 87 2HB ASN 87 7.006 -1.742 7.658 590 HD21 ASN 87 1HD2 ASN 87 4.426 -3.925 6.747 591 HD22 ASN 87 2HD2 ASN 87 3.090 -2.969 7.296 592 H GLN 88 H GLN 88 8.715 -3.631 5.555 593 HA GLN 88 HA GLN 88 10.655 -1.742 6.169 594 HB2 GLN 88 1HB GLN 88 11.010 -4.110 6.610 595 HB3 GLN 88 2HB GLN 88 10.840 -4.512 4.913 596 HG2 GLN 88 1HG GLN 88 13.110 -4.345 4.808 597 HG3 GLN 88 2HG GLN 88 12.862 -2.610 4.834 598 HE21 GLN 88 1HE2 GLN 88 13.657 -1.456 6.440 599 HE22 GLN 88 2HE2 GLN 88 14.320 -2.063 7.921 600 H LEU 89 H LEU 89 9.480 -3.115 3.050 601 HA LEU 89 HA LEU 89 11.440 -1.966 1.432 602 HB2 LEU 89 1HB LEU 89 8.615 -2.881 0.928 603 HB3 LEU 89 2HB LEU 89 9.633 -2.240 -0.347 604 HG LEU 89 HG LEU 89 10.567 -4.548 1.352 605 HD11 LEU 89 1HD1 LEU 89 9.674 -6.065 -0.426 606 HD12 LEU 89 2HD1 LEU 89 8.428 -5.291 0.582 607 HD13 LEU 89 3HD1 LEU 89 8.744 -4.687 -1.062 608 HD21 LEU 89 1HD2 LEU 89 12.180 -3.340 -0.106 609 HD22 LEU 89 2HD2 LEU 89 11.977 -5.057 -0.527 610 HD23 LEU 89 3HD2 LEU 89 11.195 -3.800 -1.515 611 H LEU 90 H LEU 90 8.449 -0.688 2.893 612 HA LEU 90 HA LEU 90 8.439 1.670 1.297 613 HB2 LEU 90 1HB LEU 90 6.834 0.441 3.394 614 HB3 LEU 90 2HB LEU 90 6.983 2.174 3.606 615 HG LEU 90 HG LEU 90 5.817 0.676 1.259 616 HD11 LEU 90 1HD1 LEU 90 4.625 1.532 3.536 617 HD12 LEU 90 2HD1 LEU 90 4.413 2.962 2.498 618 HD13 LEU 90 3HD1 LEU 90 3.800 1.378 1.967 619 HD21 LEU 90 1HD2 LEU 90 5.497 3.382 0.709 620 HD22 LEU 90 2HD2 LEU 90 7.194 3.238 1.224 621 HD23 LEU 90 3HD2 LEU 90 6.585 2.243 -0.121 622 H ARG 91 H ARG 91 10.114 0.557 4.181 623 HA ARG 91 HA ARG 91 10.630 3.100 5.221 624 HB2 ARG 91 1HB ARG 91 11.204 0.366 5.891 625 HB3 ARG 91 2HB ARG 91 12.744 1.203 5.863 626 HG2 ARG 91 1HG ARG 91 11.354 3.061 7.237 627 HG3 ARG 91 2HG ARG 91 10.353 1.679 7.639 628 HD2 ARG 91 1HD ARG 91 11.950 0.763 9.008 629 HD3 ARG 91 2HD ARG 91 13.251 1.108 7.886 630 HE ARG 91 HE ARG 91 12.275 3.556 9.081 631 HH11 ARG 91 2HH2 ARG 91 14.262 0.730 9.754 632 HH12 ARG 91 1HH2 ARG 91 15.228 1.535 10.945 633 HH21 ARG 91 2HH1 ARG 91 13.550 4.618 10.652 634 HH22 ARG 91 1HH1 ARG 91 14.821 3.762 11.459 635 H ASP 92 H ASP 92 12.978 0.728 3.750 636 HA ASP 92 HA ASP 92 15.052 2.345 3.402 637 HB2 ASP 92 1HB ASP 92 14.741 -0.133 2.734 638 HB3 ASP 92 2HB ASP 92 14.105 0.451 1.209 639 H ALA 93 H ALA 93 12.122 2.041 1.308 640 HA ALA 93 HA ALA 93 12.953 3.604 -0.820 641 HB1 ALA 93 1HB ALA 93 10.917 2.155 -0.709 642 HB2 ALA 93 2HB ALA 93 10.158 3.356 0.363 643 HB3 ALA 93 3HB ALA 93 10.572 3.794 -1.312 644 H ALA 94 H ALA 94 11.317 4.522 2.278 645 HA ALA 94 HA ALA 94 11.042 7.225 1.699 646 HB1 ALA 94 1HB ALA 94 9.829 6.528 3.544 647 HB2 ALA 94 2HB ALA 94 11.152 5.514 4.167 648 HB3 ALA 94 3HB ALA 94 11.223 7.283 4.353 649 H LEU 95 H LEU 95 13.773 5.332 3.095 650 HA LEU 95 HA LEU 95 15.345 7.556 3.750 651 HB2 LEU 95 1HB LEU 95 16.299 4.791 3.012 652 HB3 LEU 95 2HB LEU 95 17.134 5.982 3.989 653 HG LEU 95 HG LEU 95 14.567 4.556 4.741 654 HD11 LEU 95 1HD1 LEU 95 17.449 4.038 5.307 655 HD12 LEU 95 2HD1 LEU 95 16.275 3.761 6.616 656 HD13 LEU 95 3HD1 LEU 95 16.099 2.903 5.066 657 HD21 LEU 95 1HD2 LEU 95 15.981 6.883 5.911 658 HD22 LEU 95 2HD2 LEU 95 14.263 6.420 5.978 659 HD23 LEU 95 3HD2 LEU 95 15.441 5.630 7.054 660 H ALA 96 H ALA 96 14.320 6.316 0.721 661 HA ALA 96 HA ALA 96 16.674 7.369 -0.648 662 HB1 ALA 96 1HB ALA 96 16.254 5.484 -1.826 663 HB2 ALA 96 2HB ALA 96 14.605 5.339 -1.171 664 HB3 ALA 96 3HB ALA 96 14.919 6.403 -2.563 665 H HIS 97 H HIS 97 13.687 8.406 0.574 666 HA HIS 97 HA HIS 97 12.515 10.242 0.308 667 HB2 HIS 97 1HB HIS 97 14.917 11.055 -1.333 668 HB3 HIS 97 2HB HIS 97 13.542 12.120 -1.117 669 HD1 HIS 97 1HD HIS 97 13.484 13.507 0.990 670 HD2 HIS 97 2HD HIS 97 16.218 10.334 1.224 671 HE1 HIS 97 1HE HIS 97 14.775 13.835 3.166 672 H LYS 98 H LYS 98 12.738 7.857 -1.802 673 HA LYS 98 HA LYS 98 10.593 8.897 -3.413 674 HB2 LYS 98 1HB LYS 98 12.880 9.492 -4.523 675 HB3 LYS 98 2HB LYS 98 12.949 7.788 -4.925 676 HG2 LYS 98 1HG LYS 98 10.411 8.260 -5.729 677 HG3 LYS 98 2HG LYS 98 11.024 9.894 -5.891 678 HD2 LYS 98 1HD LYS 98 11.559 9.057 -7.999 679 HD3 LYS 98 2HD LYS 98 13.048 8.699 -7.148 680 HE2 LYS 98 1HE LYS 98 10.985 6.576 -6.881 681 HE3 LYS 98 2HE LYS 98 11.511 6.841 -8.532 682 HZ1 LYS 98 1HZ LYS 98 13.038 5.908 -6.265 683 HZ2 LYS 98 2HZ LYS 98 13.110 5.446 -7.829 684 HZ3 LYS 98 3HZ LYS 98 13.832 6.831 -7.353 685 H VAL 99 H VAL 99 9.219 7.249 -4.138 686 HA VAL 99 HA VAL 99 10.133 4.514 -3.793 687 HB VAL 99 HB VAL 99 9.231 5.254 -1.606 688 HG11 VAL 99 1HG1 VAL 99 7.571 6.875 -2.427 689 HG12 VAL 99 2HG1 VAL 99 6.609 5.544 -3.113 690 HG13 VAL 99 3HG1 VAL 99 6.828 5.667 -1.351 691 HG21 VAL 99 1HG2 VAL 99 7.467 3.191 -2.964 692 HG22 VAL 99 2HG2 VAL 99 9.127 2.884 -2.401 693 HG23 VAL 99 3HG2 VAL 99 7.855 3.309 -1.231 694 H VAL 100 H VAL 100 8.459 2.953 -4.709 695 HA VAL 100 HA VAL 100 6.681 4.253 -6.621 696 HB VAL 100 HB VAL 100 8.769 2.186 -7.342 697 HG11 VAL 100 1HG1 VAL 100 7.716 1.815 -9.295 698 HG12 VAL 100 2HG1 VAL 100 6.282 2.479 -8.477 699 HG13 VAL 100 3HG1 VAL 100 7.289 3.530 -9.503 700 HG21 VAL 100 1HG2 VAL 100 8.561 5.157 -7.836 701 HG22 VAL 100 2HG2 VAL 100 9.934 4.215 -7.206 702 HG23 VAL 100 3HG2 VAL 100 9.489 4.099 -8.926 703 H LEU 101 H LEU 101 4.726 3.227 -6.748 704 HA LEU 101 HA LEU 101 4.617 0.508 -5.648 705 HB2 LEU 101 1HB LEU 101 2.395 2.470 -5.218 706 HB3 LEU 101 2HB LEU 101 2.746 0.980 -4.364 707 HG LEU 101 HG LEU 101 4.637 3.316 -4.184 708 HD11 LEU 101 1HD1 LEU 101 3.244 3.655 -1.926 709 HD12 LEU 101 2HD1 LEU 101 2.868 4.521 -3.435 710 HD13 LEU 101 3HD1 LEU 101 1.929 3.080 -2.979 711 HD21 LEU 101 1HD2 LEU 101 4.010 1.362 -1.995 712 HD22 LEU 101 2HD2 LEU 101 5.073 0.882 -3.340 713 HD23 LEU 101 3HD2 LEU 101 5.504 2.275 -2.319 714 H GLU 102 H GLU 102 2.935 -0.850 -6.554 715 HA GLU 102 HA GLU 102 1.920 0.228 -9.067 716 HB2 GLU 102 1HB GLU 102 3.751 -1.316 -9.565 717 HB3 GLU 102 2HB GLU 102 3.061 -2.545 -8.524 718 HG2 GLU 102 1HG GLU 102 1.781 -3.314 -10.228 719 HG3 GLU 102 2HG GLU 102 1.016 -1.746 -10.393 720 H VAL 103 H VAL 103 -0.275 0.378 -8.957 721 HA VAL 103 HA VAL 103 -1.663 -1.444 -7.147 722 HB VAL 103 HB VAL 103 -3.011 0.790 -8.589 723 HG11 VAL 103 1HG1 VAL 103 -4.302 -0.618 -7.079 724 HG12 VAL 103 2HG1 VAL 103 -3.156 -0.296 -5.756 725 HG13 VAL 103 3HG1 VAL 103 -4.158 1.023 -6.406 726 HG21 VAL 103 1HG2 VAL 103 -2.181 2.230 -6.534 727 HG22 VAL 103 2HG2 VAL 103 -0.788 1.122 -6.601 728 HG23 VAL 103 3HG2 VAL 103 -1.209 2.110 -8.021 729 H GLU 104 H GLU 104 -3.512 -2.671 -7.858 730 HA GLU 104 HA GLU 104 -3.402 -3.153 -10.731 731 HB2 GLU 104 1HB GLU 104 -2.835 -4.983 -8.865 732 HB3 GLU 104 2HB GLU 104 -4.579 -5.152 -8.805 733 HG2 GLU 104 1HG GLU 104 -4.358 -5.257 -11.465 734 HG3 GLU 104 2HG GLU 104 -2.700 -5.702 -11.111 735 H PHE 105 H PHE 105 -5.367 -3.292 -11.926 736 HA PHE 105 HA PHE 105 -7.888 -3.311 -10.718 737 HB2 PHE 105 1HB PHE 105 -8.432 -0.872 -11.385 738 HB3 PHE 105 2HB PHE 105 -7.361 -1.026 -10.006 739 HD1 PHE 105 2HD PHE 105 -7.154 -0.739 -13.726 740 HD2 PHE 105 1HD PHE 105 -5.461 0.277 -9.970 741 HE1 PHE 105 2HE PHE 105 -5.457 0.704 -14.882 742 HE2 PHE 105 1HE PHE 105 -3.763 1.720 -11.126 743 HZ PHE 105 HZ PHE 105 -3.782 1.916 -13.568 744 H ASP 106 H ASP 106 -9.634 -2.546 -12.441 745 HA ASP 106 HA ASP 106 -8.593 -3.436 -15.013 746 HB2 ASP 106 1HB ASP 106 -11.401 -3.618 -13.824 747 HB3 ASP 106 2HB ASP 106 -11.009 -4.086 -15.466 748 H SER 107 H SER 107 -9.075 -0.653 -13.494 749 HA SER 107 HA SER 107 -9.669 1.374 -13.991 750 HB2 SER 107 1HB SER 107 -8.382 1.505 -15.912 751 HB3 SER 107 2HB SER 107 -9.203 0.166 -16.691 752 HG SER 107 HG SER 107 -9.936 2.926 -16.577 753 H GLY 108 H GLY 108 -11.729 1.237 -12.899 754 HA2 GLY 108 1HA GLY 108 -13.956 2.021 -14.319 755 HA3 GLY 108 2HA GLY 108 -14.069 0.276 -14.213 756 HA PRO 109 HA PRO 109 -15.310 2.340 -10.212 757 HB2 PRO 109 1HB PRO 109 -17.992 2.753 -10.530 758 HB3 PRO 109 2HB PRO 109 -16.796 4.016 -10.745 759 HG2 PRO 109 1HG PRO 109 -18.315 2.533 -12.802 760 HG3 PRO 109 2HG PRO 109 -17.455 4.052 -12.955 761 HD2 PRO 109 1HD PRO 109 -16.578 1.484 -13.882 762 HD3 PRO 109 2HD PRO 109 -15.670 2.981 -13.930 763 H SER 110 H SER 110 -16.036 1.250 -8.394 764 HA SER 110 HA SER 110 -17.788 -0.934 -8.826 765 HB2 SER 110 1HB SER 110 -16.144 -2.660 -7.931 766 HB3 SER 110 2HB SER 110 -15.840 -2.117 -9.569 767 HG SER 110 HG SER 110 -13.855 -2.061 -8.507 768 H SER 111 H SER 111 -15.089 0.076 -6.589 769 HA SER 111 HA SER 111 -15.043 0.519 -4.466 770 HB2 SER 111 1HB SER 111 -17.989 1.220 -4.836 771 HB3 SER 111 2HB SER 111 -17.060 1.606 -3.401 772 HG SER 111 HG SER 111 -15.680 2.460 -5.608 773 H GLY 112 H GLY 112 -14.604 -1.495 -3.528 774 HA2 GLY 112 1HA GLY 112 -16.755 -2.735 -2.066 775 HA3 GLY 112 2HA GLY 112 -16.154 -3.717 -3.387 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.279 -8.140 -9.621 2 HA2 GLY 1 1HA GLY 1 3.818 -9.851 -10.082 3 HA3 GLY 1 2HA GLY 1 3.029 -8.522 -10.908 4 H SER 2 H SER 2 2.480 -8.887 -13.009 5 HA SER 2 HA SER 2 3.730 -11.127 -14.310 6 HB2 SER 2 1HB SER 2 1.942 -10.764 -16.037 7 HB3 SER 2 2HB SER 2 1.308 -11.020 -14.423 8 HG SER 2 HG SER 2 0.797 -8.845 -14.226 9 H SER 3 H SER 3 5.548 -10.791 -15.532 10 HA SER 3 HA SER 3 5.712 -8.215 -16.894 11 HB2 SER 3 1HB SER 3 7.883 -9.912 -15.608 12 HB3 SER 3 2HB SER 3 8.266 -8.678 -16.792 13 HG SER 3 HG SER 3 7.871 -8.338 -14.167 14 H GLY 4 H GLY 4 4.888 -8.836 -18.922 15 HA2 GLY 4 1HA GLY 4 5.902 -11.284 -20.155 16 HA3 GLY 4 2HA GLY 4 4.590 -10.269 -20.719 17 H SER 5 H SER 5 7.595 -11.276 -21.561 18 HA SER 5 HA SER 5 8.111 -8.763 -22.938 19 HB2 SER 5 1HB SER 5 10.117 -10.581 -21.547 20 HB3 SER 5 2HB SER 5 10.604 -9.416 -22.763 21 HG SER 5 HG SER 5 8.933 -8.315 -20.807 22 H SER 6 H SER 6 7.015 -9.635 -24.811 23 HA SER 6 HA SER 6 8.722 -11.251 -26.392 24 HB2 SER 6 1HB SER 6 6.971 -12.708 -24.844 25 HB3 SER 6 2HB SER 6 6.003 -12.465 -26.284 26 HG SER 6 HG SER 6 8.258 -13.148 -27.343 27 H GLY 7 H GLY 7 5.232 -10.261 -26.032 28 HA2 GLY 7 1HA GLY 7 5.191 -8.238 -27.874 29 HA3 GLY 7 2HA GLY 7 4.954 -9.690 -28.825 30 H GLY 8 H GLY 8 3.240 -7.260 -27.544 31 HA2 GLY 8 1HA GLY 8 0.977 -9.002 -26.762 32 HA3 GLY 8 2HA GLY 8 1.313 -7.452 -26.016 33 H GLY 9 H GLY 9 -0.677 -6.480 -26.629 34 HA2 GLY 9 1HA GLY 9 -0.985 -4.818 -28.576 35 HA3 GLY 9 2HA GLY 9 -1.202 -6.280 -29.517 36 H GLN 10 H GLN 10 -2.501 -4.325 -26.807 37 HA GLN 10 HA GLN 10 -4.533 -4.043 -26.084 38 HB2 GLN 10 1HB GLN 10 -4.986 -5.049 -28.758 39 HB3 GLN 10 2HB GLN 10 -6.217 -5.710 -27.700 40 HG2 GLN 10 1HG GLN 10 -7.124 -3.623 -27.204 41 HG3 GLN 10 2HG GLN 10 -5.590 -2.791 -27.366 42 HE21 GLN 10 1HE2 GLN 10 -8.548 -3.247 -28.709 43 HE22 GLN 10 2HE2 GLN 10 -8.251 -2.790 -30.353 44 H ILE 11 H ILE 11 -6.302 -5.177 -24.835 45 HA ILE 11 HA ILE 11 -6.973 -6.713 -23.400 46 HB ILE 11 HB ILE 11 -5.791 -8.586 -25.447 47 HG12 ILE 11 1HG1 ILE 11 -8.719 -8.296 -24.990 48 HG13 ILE 11 2HG1 ILE 11 -7.905 -6.948 -25.760 49 HG21 ILE 11 1HG2 ILE 11 -7.829 -9.754 -23.750 50 HG22 ILE 11 2HG2 ILE 11 -6.206 -10.352 -24.165 51 HG23 ILE 11 3HG2 ILE 11 -6.418 -9.229 -22.802 52 HD11 ILE 11 1HD1 ILE 11 -6.803 -9.124 -27.098 53 HD12 ILE 11 2HD1 ILE 11 -8.481 -9.647 -26.816 54 HD13 ILE 11 3HD1 ILE 11 -8.156 -8.131 -27.690 55 H VAL 12 H VAL 12 -6.224 -7.255 -21.396 56 HA VAL 12 HA VAL 12 -3.641 -8.418 -21.067 57 HB VAL 12 HB VAL 12 -3.108 -6.023 -21.493 58 HG11 VAL 12 1HG1 VAL 12 -4.913 -4.804 -20.609 59 HG12 VAL 12 2HG1 VAL 12 -4.835 -5.646 -19.043 60 HG13 VAL 12 3HG1 VAL 12 -3.570 -4.476 -19.488 61 HG21 VAL 12 1HG2 VAL 12 -1.417 -7.104 -20.336 62 HG22 VAL 12 2HG2 VAL 12 -1.810 -5.767 -19.228 63 HG23 VAL 12 3HG2 VAL 12 -2.436 -7.402 -18.907 64 H HIS 13 H HIS 13 -3.428 -9.358 -18.994 65 HA HIS 13 HA HIS 13 -5.905 -9.739 -17.669 66 HB2 HIS 13 1HB HIS 13 -4.653 -11.649 -17.616 67 HB3 HIS 13 2HB HIS 13 -3.130 -10.795 -17.468 68 HD1 HIS 13 1HD HIS 13 -6.233 -11.090 -15.208 69 HD2 HIS 13 2HD HIS 13 -2.048 -11.312 -15.030 70 HE1 HIS 13 1HE HIS 13 -5.647 -11.576 -12.773 71 H THR 14 H THR 14 -6.468 -7.532 -17.067 72 HA THR 14 HA THR 14 -6.752 -6.034 -15.426 73 HB THR 14 HB THR 14 -4.404 -7.155 -13.861 74 HG1 THR 14 1HG THR 14 -5.482 -9.084 -13.940 75 HG21 THR 14 1HG2 THR 14 -6.155 -6.932 -12.006 76 HG22 THR 14 2HG2 THR 14 -5.663 -5.385 -12.736 77 HG23 THR 14 3HG2 THR 14 -7.211 -6.132 -13.196 78 H GLU 15 H GLU 15 -5.431 -4.183 -14.253 79 HA GLU 15 HA GLU 15 -3.313 -3.454 -16.123 80 HB2 GLU 15 1HB GLU 15 -5.577 -1.792 -14.973 81 HB3 GLU 15 2HB GLU 15 -4.114 -1.027 -15.560 82 HG2 GLU 15 1HG GLU 15 -4.912 -2.944 -17.547 83 HG3 GLU 15 2HG GLU 15 -6.351 -2.056 -17.087 84 H THR 16 H THR 16 -1.934 -1.522 -15.104 85 HA THR 16 HA THR 16 -1.698 -1.804 -12.215 86 HB THR 16 HB THR 16 0.870 -2.160 -12.690 87 HG1 THR 16 1HG THR 16 0.719 -1.868 -14.994 88 HG21 THR 16 1HG2 THR 16 0.499 -4.346 -12.127 89 HG22 THR 16 2HG2 THR 16 -1.243 -4.009 -12.277 90 HG23 THR 16 3HG2 THR 16 -0.338 -4.650 -13.669 91 H THR 17 H THR 17 -0.881 -0.001 -11.184 92 HA THR 17 HA THR 17 -0.123 2.210 -12.975 93 HB THR 17 HB THR 17 -2.550 2.151 -11.885 94 HG1 THR 17 1HG THR 17 -2.278 4.307 -12.360 95 HG21 THR 17 1HG2 THR 17 -0.886 3.392 -9.639 96 HG22 THR 17 2HG2 THR 17 -2.653 3.181 -9.685 97 HG23 THR 17 3HG2 THR 17 -1.591 1.761 -9.524 98 H GLU 18 H GLU 18 1.712 3.278 -12.487 99 HA GLU 18 HA GLU 18 3.009 2.392 -10.040 100 HB2 GLU 18 1HB GLU 18 4.141 2.028 -12.288 101 HB3 GLU 18 2HB GLU 18 4.267 3.769 -12.451 102 HG2 GLU 18 1HG GLU 18 5.708 3.949 -10.520 103 HG3 GLU 18 2HG GLU 18 5.350 2.313 -10.005 104 H VAL 19 H VAL 19 2.918 3.782 -8.334 105 HA VAL 19 HA VAL 19 2.619 6.632 -8.960 106 HB VAL 19 HB VAL 19 1.833 4.949 -6.581 107 HG11 VAL 19 1HG1 VAL 19 2.778 7.099 -5.805 108 HG12 VAL 19 2HG1 VAL 19 1.630 7.968 -6.851 109 HG13 VAL 19 3HG1 VAL 19 1.029 6.980 -5.497 110 HG21 VAL 19 1HG2 VAL 19 0.399 5.055 -8.707 111 HG22 VAL 19 2HG2 VAL 19 -0.400 5.429 -7.161 112 HG23 VAL 19 3HG2 VAL 19 0.075 6.747 -8.260 113 H VAL 20 H VAL 20 4.119 8.117 -8.225 114 HA VAL 20 HA VAL 20 6.417 6.943 -6.819 115 HB VAL 20 HB VAL 20 6.236 9.221 -8.797 116 HG11 VAL 20 1HG1 VAL 20 8.206 8.669 -6.731 117 HG12 VAL 20 2HG1 VAL 20 8.932 8.609 -8.354 118 HG13 VAL 20 3HG1 VAL 20 8.061 10.067 -7.823 119 HG21 VAL 20 1HG2 VAL 20 8.095 7.463 -9.760 120 HG22 VAL 20 2HG2 VAL 20 6.936 6.358 -8.983 121 HG23 VAL 20 3HG2 VAL 20 6.380 7.491 -10.238 122 H LEU 21 H LEU 21 6.162 7.376 -4.673 123 HA LEU 21 HA LEU 21 5.090 9.999 -3.961 124 HB2 LEU 21 1HB LEU 21 5.363 7.388 -2.491 125 HB3 LEU 21 2HB LEU 21 5.040 8.891 -1.649 126 HG LEU 21 HG LEU 21 3.291 7.419 -3.612 127 HD11 LEU 21 1HD1 LEU 21 3.327 7.037 -1.051 128 HD12 LEU 21 2HD1 LEU 21 2.471 8.595 -0.968 129 HD13 LEU 21 3HD1 LEU 21 1.762 7.238 -1.875 130 HD21 LEU 21 1HD2 LEU 21 1.736 9.495 -3.231 131 HD22 LEU 21 2HD2 LEU 21 3.277 10.347 -2.969 132 HD23 LEU 21 3HD2 LEU 21 2.973 9.512 -4.511 133 H CYS 22 H CYS 22 6.199 11.354 -2.418 134 HA CYS 22 HA CYS 22 9.020 10.656 -2.095 135 HB2 CYS 22 1HB CYS 22 9.165 12.186 -3.868 136 HB3 CYS 22 2HB CYS 22 7.874 13.195 -3.247 137 HG CYS 22 HG CYS 22 9.726 14.718 -2.736 138 H GLY 23 H GLY 23 9.961 11.534 -0.120 139 HA2 GLY 23 1HA GLY 23 8.587 13.264 1.625 140 HA3 GLY 23 2HA GLY 23 8.239 11.609 2.082 141 H ASP 24 H ASP 24 9.484 12.644 4.069 142 HA ASP 24 HA ASP 24 12.332 12.561 3.635 143 HB2 ASP 24 1HB ASP 24 10.480 13.730 5.605 144 HB3 ASP 24 2HB ASP 24 11.815 12.911 6.390 145 HA PRO 25 HA PRO 25 12.741 8.669 5.620 146 HB2 PRO 25 1HB PRO 25 14.997 8.892 7.147 147 HB3 PRO 25 2HB PRO 25 15.034 8.646 5.412 148 HG2 PRO 25 1HG PRO 25 15.576 11.114 6.946 149 HG3 PRO 25 2HG PRO 25 16.011 10.732 5.292 150 HD2 PRO 25 1HD PRO 25 13.876 12.443 6.154 151 HD3 PRO 25 2HD PRO 25 14.239 11.968 4.507 152 H LEU 26 H LEU 26 12.263 11.394 7.567 153 HA LEU 26 HA LEU 26 11.692 9.666 9.859 154 HB2 LEU 26 1HB LEU 26 12.700 12.379 9.501 155 HB3 LEU 26 2HB LEU 26 11.370 12.305 10.640 156 HG LEU 26 HG LEU 26 13.846 10.569 10.823 157 HD11 LEU 26 1HD1 LEU 26 14.545 12.856 11.067 158 HD12 LEU 26 2HD1 LEU 26 13.216 13.191 12.202 159 HD13 LEU 26 3HD1 LEU 26 14.530 12.086 12.671 160 HD21 LEU 26 1HD2 LEU 26 12.177 9.462 12.007 161 HD22 LEU 26 2HD2 LEU 26 12.998 10.427 13.257 162 HD23 LEU 26 3HD2 LEU 26 11.442 10.975 12.589 163 H SER 27 H SER 27 10.283 12.262 7.768 164 HA SER 27 HA SER 27 7.770 12.088 9.001 165 HB2 SER 27 1HB SER 27 8.996 13.840 7.258 166 HB3 SER 27 2HB SER 27 7.877 13.031 6.179 167 HG SER 27 HG SER 27 6.183 13.512 7.856 168 H GLY 28 H GLY 28 9.441 10.277 6.479 169 HA2 GLY 28 1HA GLY 28 8.866 8.342 5.464 170 HA3 GLY 28 2HA GLY 28 7.380 8.304 6.391 171 H PHE 29 H PHE 29 5.538 8.415 5.194 172 HA PHE 29 HA PHE 29 5.535 10.207 2.894 173 HB2 PHE 29 1HB PHE 29 4.880 7.215 3.051 174 HB3 PHE 29 2HB PHE 29 4.198 8.208 1.779 175 HD1 PHE 29 2HD PHE 29 6.228 9.848 0.758 176 HD2 PHE 29 1HD PHE 29 6.628 5.922 2.319 177 HE1 PHE 29 2HE PHE 29 8.303 9.514 -0.615 178 HE2 PHE 29 1HE PHE 29 8.703 5.588 0.947 179 HZ PHE 29 HZ PHE 29 9.516 7.388 -0.504 180 H GLY 30 H GLY 30 3.128 7.678 3.669 181 HA2 GLY 30 1HA GLY 30 1.440 8.673 5.437 182 HA3 GLY 30 2HA GLY 30 1.142 9.773 4.106 183 H LEU 31 H LEU 31 1.556 6.200 4.670 184 HA LEU 31 HA LEU 31 -0.998 5.686 3.513 185 HB2 LEU 31 1HB LEU 31 -0.446 4.696 1.523 186 HB3 LEU 31 2HB LEU 31 0.597 6.104 1.551 187 HG LEU 31 HG LEU 31 2.181 4.147 2.711 188 HD11 LEU 31 1HD1 LEU 31 1.034 2.809 0.282 189 HD12 LEU 31 2HD1 LEU 31 1.978 2.122 1.626 190 HD13 LEU 31 3HD1 LEU 31 0.274 2.572 1.874 191 HD21 LEU 31 1HD2 LEU 31 2.585 5.958 0.888 192 HD22 LEU 31 2HD2 LEU 31 3.586 4.485 0.906 193 HD23 LEU 31 3HD2 LEU 31 2.242 4.635 -0.252 194 H GLN 32 H GLN 32 -1.824 3.864 4.443 195 HA GLN 32 HA GLN 32 0.126 2.237 5.878 196 HB2 GLN 32 1HB GLN 32 -2.513 3.359 6.617 197 HB3 GLN 32 2HB GLN 32 -2.348 1.659 7.012 198 HG2 GLN 32 1HG GLN 32 -0.013 3.419 7.696 199 HG3 GLN 32 2HG GLN 32 -1.469 3.655 8.643 200 HE21 GLN 32 1HE2 GLN 32 0.072 2.911 10.322 201 HE22 GLN 32 2HE2 GLN 32 0.183 1.215 10.656 202 H LEU 33 H LEU 33 0.191 0.022 5.503 203 HA LEU 33 HA LEU 33 -1.511 -0.905 3.332 204 HB2 LEU 33 1HB LEU 33 1.030 -1.938 4.581 205 HB3 LEU 33 2HB LEU 33 0.096 -2.872 3.429 206 HG LEU 33 HG LEU 33 1.472 -0.220 2.946 207 HD11 LEU 33 1HD1 LEU 33 1.982 -3.052 2.047 208 HD12 LEU 33 2HD1 LEU 33 2.613 -1.651 1.148 209 HD13 LEU 33 3HD1 LEU 33 3.088 -1.907 2.844 210 HD21 LEU 33 1HD2 LEU 33 0.697 -0.564 0.553 211 HD22 LEU 33 2HD2 LEU 33 -0.471 -1.740 1.202 212 HD23 LEU 33 3HD2 LEU 33 -0.537 -0.039 1.723 213 H GLN 34 H GLN 34 -2.373 -3.206 3.510 214 HA GLN 34 HA GLN 34 -2.968 -3.898 6.258 215 HB2 GLN 34 1HB GLN 34 -4.971 -2.782 5.930 216 HB3 GLN 34 2HB GLN 34 -4.944 -3.004 4.192 217 HG2 GLN 34 1HG GLN 34 -5.789 -5.219 4.325 218 HG3 GLN 34 2HG GLN 34 -5.293 -5.416 5.994 219 HE21 GLN 34 1HE2 GLN 34 -7.618 -4.021 3.804 220 HE22 GLN 34 2HE2 GLN 34 -8.856 -3.645 4.956 221 H GLY 35 H GLY 35 -2.221 -5.965 6.440 222 HA2 GLY 35 1HA GLY 35 -2.945 -7.864 4.308 223 HA3 GLY 35 2HA GLY 35 -1.279 -7.730 4.832 224 H GLY 36 H GLY 36 -1.483 -10.037 5.471 225 HA2 GLY 36 1HA GLY 36 -3.314 -10.896 7.437 226 HA3 GLY 36 2HA GLY 36 -1.823 -11.686 6.962 227 H ILE 37 H ILE 37 -2.565 -11.776 9.631 228 HA ILE 37 HA ILE 37 -1.451 -9.612 11.098 229 HB ILE 37 HB ILE 37 -2.306 -12.402 11.865 230 HG12 ILE 37 1HG1 ILE 37 -4.123 -10.977 11.071 231 HG13 ILE 37 2HG1 ILE 37 -4.273 -11.298 12.787 232 HG21 ILE 37 1HG2 ILE 37 -0.805 -10.406 13.375 233 HG22 ILE 37 2HG2 ILE 37 -2.334 -10.862 14.164 234 HG23 ILE 37 3HG2 ILE 37 -1.142 -12.114 13.743 235 HD11 ILE 37 1HD1 ILE 37 -4.052 -8.747 11.446 236 HD12 ILE 37 2HD1 ILE 37 -4.327 -9.071 13.174 237 HD13 ILE 37 3HD1 ILE 37 -2.666 -8.942 12.547 238 H PHE 38 H PHE 38 -0.406 -12.936 11.811 239 HA PHE 38 HA PHE 38 2.137 -12.347 12.448 240 HB2 PHE 38 1HB PHE 38 1.232 -14.791 10.817 241 HB3 PHE 38 2HB PHE 38 2.531 -14.762 11.993 242 HD1 PHE 38 1HD PHE 38 1.941 -14.396 14.432 243 HD2 PHE 38 2HD PHE 38 -0.981 -15.250 11.476 244 HE1 PHE 38 1HE PHE 38 0.333 -15.102 16.226 245 HE2 PHE 38 2HE PHE 38 -2.589 -15.957 13.270 246 HZ PHE 38 HZ PHE 38 -1.913 -15.874 15.623 247 H ALA 39 H ALA 39 3.684 -11.233 11.353 248 HA ALA 39 HA ALA 39 3.651 -10.950 8.559 249 HB1 ALA 39 1HB ALA 39 5.940 -10.499 10.515 250 HB2 ALA 39 2HB ALA 39 5.744 -9.760 8.908 251 HB3 ALA 39 3HB ALA 39 4.618 -9.343 10.222 252 H THR 40 H THR 40 5.968 -12.729 10.733 253 HA THR 40 HA THR 40 7.416 -13.954 8.731 254 HB THR 40 HB THR 40 7.777 -15.692 10.662 255 HG1 THR 40 1HG THR 40 6.645 -15.089 12.571 256 HG21 THR 40 1HG2 THR 40 9.463 -14.083 10.816 257 HG22 THR 40 2HG2 THR 40 8.312 -12.728 10.738 258 HG23 THR 40 3HG2 THR 40 8.528 -13.625 12.260 259 H GLU 41 H GLU 41 6.378 -14.780 6.966 260 HA GLU 41 HA GLU 41 5.620 -17.314 6.908 261 HB2 GLU 41 1HB GLU 41 3.013 -17.068 6.753 262 HB3 GLU 41 2HB GLU 41 3.762 -17.215 8.331 263 HG2 GLU 41 1HG GLU 41 3.408 -14.966 8.874 264 HG3 GLU 41 2HG GLU 41 3.447 -14.440 7.203 265 H THR 42 H THR 42 5.184 -14.001 5.809 266 HA THR 42 HA THR 42 5.445 -13.213 3.710 267 HB THR 42 HB THR 42 4.968 -15.971 2.523 268 HG1 THR 42 1HG THR 42 6.980 -16.549 3.346 269 HG21 THR 42 1HG2 THR 42 5.428 -14.096 0.953 270 HG22 THR 42 2HG2 THR 42 6.871 -13.652 1.895 271 HG23 THR 42 3HG2 THR 42 6.825 -15.198 1.014 272 H LEU 43 H LEU 43 3.969 -12.177 2.413 273 HA LEU 43 HA LEU 43 1.229 -12.727 3.074 274 HB2 LEU 43 1HB LEU 43 2.479 -10.643 1.278 275 HB3 LEU 43 2HB LEU 43 0.790 -10.707 1.740 276 HG LEU 43 HG LEU 43 3.043 -10.432 3.743 277 HD11 LEU 43 1HD1 LEU 43 1.695 -8.388 2.048 278 HD12 LEU 43 2HD1 LEU 43 1.992 -7.981 3.755 279 HD13 LEU 43 3HD1 LEU 43 3.351 -8.437 2.700 280 HD21 LEU 43 1HD2 LEU 43 0.083 -9.846 4.015 281 HD22 LEU 43 2HD2 LEU 43 0.895 -11.320 4.596 282 HD23 LEU 43 3HD2 LEU 43 1.322 -9.736 5.287 283 H SER 44 H SER 44 -0.189 -13.936 1.924 284 HA SER 44 HA SER 44 0.807 -15.175 -0.445 285 HB2 SER 44 1HB SER 44 -1.122 -15.783 1.581 286 HB3 SER 44 2HB SER 44 -1.991 -15.744 0.060 287 HG SER 44 HG SER 44 0.118 -17.473 0.901 288 H SER 45 H SER 45 -1.177 -12.432 0.437 289 HA SER 45 HA SER 45 -1.797 -12.094 -2.382 290 HB2 SER 45 1HB SER 45 -3.917 -10.851 -1.001 291 HB3 SER 45 2HB SER 45 -4.006 -12.310 -1.967 292 HG SER 45 HG SER 45 -3.151 -13.345 0.184 293 HA PRO 46 HA PRO 46 -0.490 -8.005 -1.663 294 HB2 PRO 46 1HB PRO 46 -2.044 -6.489 -3.323 295 HB3 PRO 46 2HB PRO 46 -0.671 -7.422 -3.883 296 HG2 PRO 46 1HG PRO 46 -3.554 -8.000 -4.190 297 HG3 PRO 46 2HG PRO 46 -2.200 -8.664 -5.083 298 HD2 PRO 46 1HD PRO 46 -3.683 -9.961 -2.999 299 HD3 PRO 46 2HD PRO 46 -2.258 -10.579 -3.811 300 HA PRO 47 HA PRO 47 -2.886 -6.324 1.435 301 HB2 PRO 47 1HB PRO 47 -1.186 -4.364 2.292 302 HB3 PRO 47 2HB PRO 47 -1.071 -6.031 2.821 303 HG2 PRO 47 1HG PRO 47 0.639 -4.573 0.899 304 HG3 PRO 47 2HG PRO 47 0.973 -6.067 1.752 305 HD2 PRO 47 1HD PRO 47 0.213 -5.796 -1.001 306 HD3 PRO 47 2HD PRO 47 0.434 -7.293 -0.117 307 H LEU 48 H LEU 48 -4.145 -4.459 2.065 308 HA LEU 48 HA LEU 48 -4.448 -2.740 -0.291 309 HB2 LEU 48 1HB LEU 48 -6.500 -3.031 1.871 310 HB3 LEU 48 2HB LEU 48 -6.705 -2.540 0.201 311 HG LEU 48 HG LEU 48 -5.693 -5.283 0.474 312 HD11 LEU 48 1HD1 LEU 48 -8.306 -4.508 1.772 313 HD12 LEU 48 2HD1 LEU 48 -8.002 -6.144 1.138 314 HD13 LEU 48 3HD1 LEU 48 -6.974 -5.487 2.433 315 HD21 LEU 48 1HD2 LEU 48 -8.252 -4.928 -0.857 316 HD22 LEU 48 2HD2 LEU 48 -7.045 -3.744 -1.413 317 HD23 LEU 48 3HD2 LEU 48 -6.690 -5.486 -1.503 318 H VAL 49 H VAL 49 -5.387 -0.461 0.387 319 HA VAL 49 HA VAL 49 -3.400 0.644 2.148 320 HB VAL 49 HB VAL 49 -5.524 1.729 0.318 321 HG11 VAL 49 1HG1 VAL 49 -5.716 3.583 1.548 322 HG12 VAL 49 2HG1 VAL 49 -4.461 3.031 2.683 323 HG13 VAL 49 3HG1 VAL 49 -4.000 3.913 1.208 324 HG21 VAL 49 1HG2 VAL 49 -3.608 1.144 -0.897 325 HG22 VAL 49 2HG2 VAL 49 -3.403 2.887 -0.604 326 HG23 VAL 49 3HG2 VAL 49 -2.506 1.708 0.382 327 H CYS 50 H CYS 50 -3.940 -0.196 4.221 328 HA CYS 50 HA CYS 50 -6.401 -0.334 5.340 329 HB2 CYS 50 1HB CYS 50 -4.070 -1.022 6.263 330 HB3 CYS 50 2HB CYS 50 -4.026 0.584 6.962 331 HG CYS 50 HG CYS 50 -5.765 -2.049 7.633 332 H PHE 51 H PHE 51 -4.048 2.435 5.669 333 HA PHE 51 HA PHE 51 -6.316 4.254 5.622 334 HB2 PHE 51 1HB PHE 51 -6.006 3.955 8.001 335 HB3 PHE 51 2HB PHE 51 -4.272 3.764 7.834 336 HD1 PHE 51 2HD PHE 51 -7.018 6.192 7.968 337 HD2 PHE 51 1HD PHE 51 -2.811 5.681 7.751 338 HE1 PHE 51 2HE PHE 51 -6.694 8.612 8.551 339 HE2 PHE 51 1HE PHE 51 -2.487 8.101 8.333 340 HZ PHE 51 HZ PHE 51 -4.433 9.538 8.726 341 H ILE 52 H ILE 52 -5.422 6.637 5.646 342 HA ILE 52 HA ILE 52 -2.778 6.784 4.447 343 HB ILE 52 HB ILE 52 -5.351 7.421 3.052 344 HG12 ILE 52 1HG1 ILE 52 -2.775 6.197 2.030 345 HG13 ILE 52 2HG1 ILE 52 -4.095 5.260 2.701 346 HG21 ILE 52 1HG2 ILE 52 -2.735 8.878 2.781 347 HG22 ILE 52 2HG2 ILE 52 -3.811 8.668 1.379 348 HG23 ILE 52 3HG2 ILE 52 -4.394 9.521 2.828 349 HD11 ILE 52 1HD1 ILE 52 -3.832 6.138 0.029 350 HD12 ILE 52 2HD1 ILE 52 -5.270 5.392 0.767 351 HD13 ILE 52 3HD1 ILE 52 -5.108 7.165 0.728 352 H GLU 53 H GLU 53 -1.777 8.824 4.731 353 HA GLU 53 HA GLU 53 -2.881 10.268 6.912 354 HB2 GLU 53 1HB GLU 53 -0.305 10.219 5.396 355 HB3 GLU 53 2HB GLU 53 -0.707 11.743 6.162 356 HG2 GLU 53 1HG GLU 53 -1.304 9.680 8.066 357 HG3 GLU 53 2HG GLU 53 0.268 9.302 7.390 358 HA PRO 54 HA PRO 54 -4.840 13.327 4.520 359 HB2 PRO 54 1HB PRO 54 -5.338 15.181 6.465 360 HB3 PRO 54 2HB PRO 54 -6.347 13.772 6.203 361 HG2 PRO 54 1HG PRO 54 -4.378 14.268 8.351 362 HG3 PRO 54 2HG PRO 54 -5.676 13.091 8.302 363 HD2 PRO 54 1HD PRO 54 -2.882 12.582 7.900 364 HD3 PRO 54 2HD PRO 54 -4.192 11.429 7.736 365 H ASP 55 H ASP 55 -4.150 14.735 3.037 366 HA ASP 55 HA ASP 55 -3.046 16.436 2.225 367 HB2 ASP 55 1HB ASP 55 -3.234 17.275 4.788 368 HB3 ASP 55 2HB ASP 55 -1.501 17.014 4.748 369 H SER 56 H SER 56 -1.929 13.576 3.301 370 HA SER 56 HA SER 56 0.864 13.992 3.296 371 HB2 SER 56 1HB SER 56 0.952 11.821 3.987 372 HB3 SER 56 2HB SER 56 -0.781 11.989 4.182 373 HG SER 56 HG SER 56 -0.987 10.445 2.726 374 HA PRO 57 HA PRO 57 1.737 13.289 -0.925 375 HB2 PRO 57 1HB PRO 57 3.646 11.338 -1.058 376 HB3 PRO 57 2HB PRO 57 3.999 12.996 -0.612 377 HG2 PRO 57 1HG PRO 57 3.834 10.607 1.120 378 HG3 PRO 57 2HG PRO 57 4.585 12.154 1.454 379 HD2 PRO 57 1HD PRO 57 2.065 11.219 2.455 380 HD3 PRO 57 2HD PRO 57 2.762 12.809 2.693 381 H ALA 58 H ALA 58 1.209 10.181 0.621 382 HA ALA 58 HA ALA 58 0.556 8.825 -1.735 383 HB1 ALA 58 1HB ALA 58 0.286 7.082 -0.307 384 HB2 ALA 58 2HB ALA 58 0.928 8.200 0.920 385 HB3 ALA 58 3HB ALA 58 -0.830 7.989 0.741 386 H GLU 59 H GLU 59 -1.193 11.137 0.280 387 HA GLU 59 HA GLU 59 -3.708 10.380 -0.879 388 HB2 GLU 59 1HB GLU 59 -3.519 11.102 1.513 389 HB3 GLU 59 2HB GLU 59 -3.006 12.692 0.985 390 HG2 GLU 59 1HG GLU 59 -5.448 12.621 1.514 391 HG3 GLU 59 2HG GLU 59 -5.148 13.076 -0.152 392 H ARG 60 H ARG 60 -1.171 12.866 -1.210 393 HA ARG 60 HA ARG 60 -2.636 14.693 -2.657 394 HB2 ARG 60 1HB ARG 60 0.294 14.024 -2.368 395 HB3 ARG 60 2HB ARG 60 -0.159 15.108 -3.668 396 HG2 ARG 60 1HG ARG 60 -1.618 16.166 -1.570 397 HG3 ARG 60 2HG ARG 60 -0.209 15.558 -0.723 398 HD2 ARG 60 1HD ARG 60 1.299 16.902 -2.044 399 HD3 ARG 60 2HD ARG 60 0.068 17.253 -3.239 400 HE ARG 60 HE ARG 60 -0.915 18.212 -0.760 401 HH11 ARG 60 2HH2 ARG 60 1.756 18.879 -2.951 402 HH12 ARG 60 1HH2 ARG 60 1.877 20.547 -2.501 403 HH21 ARG 60 2HH1 ARG 60 -0.756 20.413 -0.166 404 HH22 ARG 60 1HH1 ARG 60 0.438 21.426 -0.906 405 H CYS 61 H CYS 61 -0.976 11.664 -3.574 406 HA CYS 61 HA CYS 61 -0.917 12.087 -6.326 407 HB2 CYS 61 1HB CYS 61 -0.628 9.763 -4.500 408 HB3 CYS 61 2HB CYS 61 -1.105 9.380 -6.142 409 HG CYS 61 HG CYS 61 1.215 11.633 -5.572 410 H GLY 62 H GLY 62 -3.454 11.190 -4.018 411 HA2 GLY 62 1HA GLY 62 -5.700 11.141 -4.304 412 HA3 GLY 62 2HA GLY 62 -5.495 11.556 -5.994 413 H LEU 63 H LEU 63 -4.036 9.545 -7.123 414 HA LEU 63 HA LEU 63 -5.766 7.593 -7.698 415 HB2 LEU 63 1HB LEU 63 -2.790 7.733 -7.653 416 HB3 LEU 63 2HB LEU 63 -3.536 6.177 -7.957 417 HG LEU 63 HG LEU 63 -4.445 8.543 -9.557 418 HD11 LEU 63 1HD1 LEU 63 -2.106 6.975 -10.564 419 HD12 LEU 63 2HD1 LEU 63 -2.637 8.628 -10.958 420 HD13 LEU 63 3HD1 LEU 63 -1.822 8.301 -9.410 421 HD21 LEU 63 1HD2 LEU 63 -4.041 6.146 -11.059 422 HD22 LEU 63 2HD2 LEU 63 -4.911 5.740 -9.560 423 HD23 LEU 63 3HD2 LEU 63 -5.563 6.979 -10.659 424 H LEU 64 H LEU 64 -3.286 7.396 -5.053 425 HA LEU 64 HA LEU 64 -4.143 4.901 -4.133 426 HB2 LEU 64 1HB LEU 64 -2.526 7.154 -2.997 427 HB3 LEU 64 2HB LEU 64 -2.990 5.809 -1.973 428 HG LEU 64 HG LEU 64 -1.466 5.511 -4.574 429 HD11 LEU 64 1HD1 LEU 64 -0.371 5.469 -1.749 430 HD12 LEU 64 2HD1 LEU 64 0.542 5.221 -3.256 431 HD13 LEU 64 3HD1 LEU 64 -0.184 6.808 -2.907 432 HD21 LEU 64 1HD2 LEU 64 -2.612 3.488 -4.092 433 HD22 LEU 64 2HD2 LEU 64 -0.920 3.253 -3.590 434 HD23 LEU 64 3HD2 LEU 64 -2.176 3.567 -2.368 435 H GLN 65 H GLN 65 -5.353 4.362 -2.177 436 HA GLN 65 HA GLN 65 -6.753 6.227 -0.724 437 HB2 GLN 65 1HB GLN 65 -8.063 5.425 -3.279 438 HB3 GLN 65 2HB GLN 65 -9.090 5.337 -1.862 439 HG2 GLN 65 1HG GLN 65 -7.741 7.784 -1.540 440 HG3 GLN 65 2HG GLN 65 -8.039 7.709 -3.265 441 HE21 GLN 65 1HE2 GLN 65 -9.749 6.747 -0.285 442 HE22 GLN 65 2HE2 GLN 65 -11.274 7.476 -0.664 443 H VAL 66 H VAL 66 -8.528 5.127 0.647 444 HA VAL 66 HA VAL 66 -7.517 2.700 1.606 445 HB VAL 66 HB VAL 66 -10.006 4.320 2.058 446 HG11 VAL 66 1HG1 VAL 66 -9.590 1.486 2.734 447 HG12 VAL 66 2HG1 VAL 66 -10.016 2.508 4.127 448 HG13 VAL 66 3HG1 VAL 66 -11.084 2.454 2.704 449 HG21 VAL 66 1HG2 VAL 66 -9.013 4.589 4.312 450 HG22 VAL 66 2HG2 VAL 66 -7.624 3.601 3.800 451 HG23 VAL 66 3HG2 VAL 66 -7.936 5.170 3.019 452 H GLY 67 H GLY 67 -7.737 0.664 0.844 453 HA2 GLY 67 1HA GLY 67 -9.333 -1.060 0.238 454 HA3 GLY 67 2HA GLY 67 -10.108 0.092 -0.831 455 H ASP 68 H ASP 68 -7.433 1.274 -1.675 456 HA ASP 68 HA ASP 68 -7.096 -0.019 -3.992 457 HB2 ASP 68 1HB ASP 68 -5.047 1.436 -2.266 458 HB3 ASP 68 2HB ASP 68 -4.682 0.914 -3.899 459 H ARG 69 H ARG 69 -4.785 -1.133 -4.629 460 HA ARG 69 HA ARG 69 -4.196 -3.079 -2.549 461 HB2 ARG 69 1HB ARG 69 -4.562 -3.573 -5.545 462 HB3 ARG 69 2HB ARG 69 -3.871 -4.760 -4.458 463 HG2 ARG 69 1HG ARG 69 -6.127 -5.400 -4.456 464 HG3 ARG 69 2HG ARG 69 -6.061 -4.380 -3.032 465 HD2 ARG 69 1HD ARG 69 -7.770 -3.197 -3.968 466 HD3 ARG 69 2HD ARG 69 -6.573 -2.529 -5.061 467 HE ARG 69 HE ARG 69 -7.608 -5.131 -5.930 468 HH11 ARG 69 2HH2 ARG 69 -8.112 -1.649 -6.017 469 HH12 ARG 69 1HH2 ARG 69 -9.059 -1.694 -7.466 470 HH21 ARG 69 2HH1 ARG 69 -8.857 -5.190 -7.843 471 HH22 ARG 69 1HH1 ARG 69 -9.486 -3.721 -8.512 472 H VAL 70 H VAL 70 -1.974 -4.030 -2.710 473 HA VAL 70 HA VAL 70 -0.175 -2.350 -4.313 474 HB VAL 70 HB VAL 70 0.184 -3.299 -1.463 475 HG11 VAL 70 1HG1 VAL 70 2.224 -3.168 -3.143 476 HG12 VAL 70 2HG1 VAL 70 2.087 -1.422 -2.823 477 HG13 VAL 70 3HG1 VAL 70 2.363 -2.554 -1.477 478 HG21 VAL 70 1HG2 VAL 70 0.496 -0.494 -1.697 479 HG22 VAL 70 2HG2 VAL 70 -0.988 -0.917 -2.583 480 HG23 VAL 70 3HG2 VAL 70 -0.806 -1.389 -0.877 481 H LEU 71 H LEU 71 0.517 -3.678 -5.922 482 HA LEU 71 HA LEU 71 0.686 -6.497 -5.504 483 HB2 LEU 71 1HB LEU 71 1.422 -4.676 -7.792 484 HB3 LEU 71 2HB LEU 71 1.665 -6.411 -7.835 485 HG LEU 71 HG LEU 71 -0.952 -4.908 -7.680 486 HD11 LEU 71 1HD1 LEU 71 -0.820 -5.091 -9.892 487 HD12 LEU 71 2HD1 LEU 71 0.594 -6.169 -9.793 488 HD13 LEU 71 3HD1 LEU 71 -1.050 -6.844 -9.680 489 HD21 LEU 71 1HD2 LEU 71 -1.516 -6.604 -6.253 490 HD22 LEU 71 2HD2 LEU 71 -1.859 -7.383 -7.816 491 HD23 LEU 71 3HD2 LEU 71 -0.343 -7.743 -6.955 492 H SER 72 H SER 72 3.131 -3.915 -6.274 493 HA SER 72 HA SER 72 4.978 -5.421 -4.622 494 HB2 SER 72 1HB SER 72 6.789 -4.927 -6.366 495 HB3 SER 72 2HB SER 72 5.628 -6.169 -6.792 496 HG SER 72 HG SER 72 4.411 -4.333 -7.895 497 H ILE 73 H ILE 73 7.025 -4.009 -4.161 498 HA ILE 73 HA ILE 73 6.349 -1.164 -4.271 499 HB ILE 73 HB ILE 73 7.297 -2.598 -1.788 500 HG12 ILE 73 1HG1 ILE 73 4.561 -1.400 -2.287 501 HG13 ILE 73 2HG1 ILE 73 4.916 -3.103 -2.494 502 HG21 ILE 73 1HG2 ILE 73 7.839 -0.603 -0.991 503 HG22 ILE 73 2HG2 ILE 73 7.459 0.122 -2.572 504 HG23 ILE 73 3HG2 ILE 73 6.198 0.004 -1.321 505 HD11 ILE 73 1HD1 ILE 73 3.985 -2.608 -0.232 506 HD12 ILE 73 2HD1 ILE 73 5.628 -3.285 -0.136 507 HD13 ILE 73 3HD1 ILE 73 5.371 -1.538 0.089 508 H ASN 74 H ASN 74 7.972 -0.081 -5.236 509 HA ASN 74 HA ASN 74 9.965 0.519 -5.852 510 HB2 ASN 74 1HB ASN 74 11.077 -1.441 -3.775 511 HB3 ASN 74 2HB ASN 74 11.980 -0.150 -4.542 512 HD21 ASN 74 1HD2 ASN 74 11.660 1.968 -3.971 513 HD22 ASN 74 2HD2 ASN 74 10.778 2.465 -2.566 514 H GLY 75 H GLY 75 8.550 -2.295 -6.474 515 HA2 GLY 75 1HA GLY 75 9.029 -3.492 -8.453 516 HA3 GLY 75 2HA GLY 75 10.746 -3.281 -8.171 517 H ILE 76 H ILE 76 9.000 -3.957 -5.258 518 HA ILE 76 HA ILE 76 9.798 -6.778 -5.469 519 HB ILE 76 HB ILE 76 9.691 -5.086 -2.973 520 HG12 ILE 76 1HG1 ILE 76 11.433 -4.441 -4.779 521 HG13 ILE 76 2HG1 ILE 76 11.956 -4.645 -3.119 522 HG21 ILE 76 1HG2 ILE 76 10.064 -7.935 -3.510 523 HG22 ILE 76 2HG2 ILE 76 11.382 -7.226 -2.547 524 HG23 ILE 76 3HG2 ILE 76 9.698 -7.087 -1.988 525 HD11 ILE 76 1HD1 ILE 76 13.262 -6.444 -3.627 526 HD12 ILE 76 2HD1 ILE 76 12.006 -7.172 -4.657 527 HD13 ILE 76 3HD1 ILE 76 13.079 -5.915 -5.317 528 H ALA 77 H ALA 77 8.133 -8.180 -5.520 529 HA ALA 77 HA ALA 77 5.484 -7.279 -5.145 530 HB1 ALA 77 1HB ALA 77 5.259 -9.972 -5.146 531 HB2 ALA 77 2HB ALA 77 5.544 -9.027 -6.627 532 HB3 ALA 77 3HB ALA 77 6.907 -9.821 -5.803 533 H THR 78 H THR 78 4.328 -7.057 -3.296 534 HA THR 78 HA THR 78 5.500 -7.576 -0.793 535 HB THR 78 HB THR 78 3.366 -6.736 0.039 536 HG1 THR 78 1HG THR 78 2.485 -7.273 -2.708 537 HG21 THR 78 1HG2 THR 78 3.203 -5.411 -2.638 538 HG22 THR 78 2HG2 THR 78 3.326 -4.678 -1.021 539 HG23 THR 78 3HG2 THR 78 4.786 -5.293 -1.832 540 H GLU 79 H GLU 79 3.646 -9.585 -3.006 541 HA GLU 79 HA GLU 79 2.834 -11.400 -0.996 542 HB2 GLU 79 1HB GLU 79 3.066 -12.116 -3.928 543 HB3 GLU 79 2HB GLU 79 1.874 -12.654 -2.761 544 HG2 GLU 79 1HG GLU 79 0.547 -11.058 -3.731 545 HG3 GLU 79 2HG GLU 79 1.411 -9.956 -2.678 546 H ASP 80 H ASP 80 5.665 -10.982 -3.108 547 HA ASP 80 HA ASP 80 6.633 -13.583 -2.838 548 HB2 ASP 80 1HB ASP 80 7.336 -11.312 -4.264 549 HB3 ASP 80 2HB ASP 80 8.630 -11.387 -3.085 550 H GLY 81 H GLY 81 6.525 -10.758 -0.757 551 HA2 GLY 81 1HA GLY 81 8.425 -12.039 1.117 552 HA3 GLY 81 2HA GLY 81 8.318 -10.306 0.885 553 H THR 82 H THR 82 7.985 -10.740 3.402 554 HA THR 82 HA THR 82 5.152 -11.274 3.936 555 HB THR 82 HB THR 82 5.889 -11.785 6.165 556 HG1 THR 82 1HG THR 82 8.271 -10.357 5.215 557 HG21 THR 82 1HG2 THR 82 7.065 -13.646 5.561 558 HG22 THR 82 2HG2 THR 82 7.369 -12.928 3.962 559 HG23 THR 82 3HG2 THR 82 8.509 -12.641 5.298 560 H MET 83 H MET 83 4.399 -9.872 5.987 561 HA MET 83 HA MET 83 3.912 -7.390 4.997 562 HB2 MET 83 1HB MET 83 3.189 -8.896 7.235 563 HB3 MET 83 2HB MET 83 4.071 -7.577 7.979 564 HG2 MET 83 1HG MET 83 1.647 -7.353 6.136 565 HG3 MET 83 2HG MET 83 1.721 -6.933 7.836 566 HE1 MET 83 1HE MET 83 2.502 -5.160 4.128 567 HE2 MET 83 2HE MET 83 1.058 -5.782 4.963 568 HE3 MET 83 3HE MET 83 1.439 -4.044 5.018 569 H GLU 84 H GLU 84 6.147 -8.126 7.781 570 HA GLU 84 HA GLU 84 7.166 -5.691 8.152 571 HB2 GLU 84 1HB GLU 84 7.741 -8.175 9.101 572 HB3 GLU 84 2HB GLU 84 9.178 -7.909 8.134 573 HG2 GLU 84 1HG GLU 84 8.582 -5.485 9.621 574 HG3 GLU 84 2HG GLU 84 8.585 -6.844 10.727 575 H GLU 85 H GLU 85 8.093 -8.036 5.581 576 HA GLU 85 HA GLU 85 10.294 -6.667 4.653 577 HB2 GLU 85 1HB GLU 85 8.467 -8.780 3.657 578 HB3 GLU 85 2HB GLU 85 9.236 -7.858 2.381 579 HG2 GLU 85 1HG GLU 85 11.235 -8.419 4.386 580 HG3 GLU 85 2HG GLU 85 10.389 -9.915 4.043 581 H ALA 86 H ALA 86 6.794 -6.385 3.802 582 HA ALA 86 HA ALA 86 7.135 -4.559 1.712 583 HB1 ALA 86 1HB ALA 86 4.792 -4.925 3.624 584 HB2 ALA 86 2HB ALA 86 4.734 -4.159 2.018 585 HB3 ALA 86 3HB ALA 86 5.089 -5.897 2.163 586 H ASN 87 H ASN 87 6.118 -3.981 5.161 587 HA ASN 87 HA ASN 87 6.096 -1.289 5.068 588 HB2 ASN 87 1HB ASN 87 6.682 -3.322 7.218 589 HB3 ASN 87 2HB ASN 87 7.046 -1.651 7.598 590 HD21 ASN 87 1HD2 ASN 87 4.756 -3.980 7.754 591 HD22 ASN 87 2HD2 ASN 87 3.308 -3.036 7.858 592 H GLN 88 H GLN 88 8.870 -3.519 5.811 593 HA GLN 88 HA GLN 88 10.739 -1.610 6.389 594 HB2 GLN 88 1HB GLN 88 11.127 -3.984 6.797 595 HB3 GLN 88 2HB GLN 88 11.047 -4.347 5.085 596 HG2 GLN 88 1HG GLN 88 13.325 -4.155 5.155 597 HG3 GLN 88 2HG GLN 88 13.018 -2.431 5.079 598 HE21 GLN 88 1HE2 GLN 88 13.743 -1.185 6.638 599 HE22 GLN 88 2HE2 GLN 88 14.315 -1.689 8.193 600 H LEU 89 H LEU 89 9.795 -3.032 3.200 601 HA LEU 89 HA LEU 89 11.743 -1.813 1.664 602 HB2 LEU 89 1HB LEU 89 8.946 -2.758 1.099 603 HB3 LEU 89 2HB LEU 89 9.927 -2.020 -0.151 604 HG LEU 89 HG LEU 89 10.967 -4.366 1.428 605 HD11 LEU 89 1HD1 LEU 89 8.676 -4.389 -0.330 606 HD12 LEU 89 2HD1 LEU 89 10.002 -5.359 -1.014 607 HD13 LEU 89 3HD1 LEU 89 9.396 -5.710 0.622 608 HD21 LEU 89 1HD2 LEU 89 12.291 -4.759 -0.600 609 HD22 LEU 89 2HD2 LEU 89 11.543 -3.336 -1.364 610 HD23 LEU 89 3HD2 LEU 89 12.574 -3.136 0.073 611 H LEU 90 H LEU 90 8.596 -0.586 2.891 612 HA LEU 90 HA LEU 90 8.613 1.780 1.390 613 HB2 LEU 90 1HB LEU 90 7.026 0.518 3.415 614 HB3 LEU 90 2HB LEU 90 7.283 2.194 3.857 615 HG LEU 90 HG LEU 90 5.933 1.083 1.402 616 HD11 LEU 90 1HD1 LEU 90 4.734 3.346 2.821 617 HD12 LEU 90 2HD1 LEU 90 4.028 1.787 2.331 618 HD13 LEU 90 3HD1 LEU 90 4.959 1.906 3.843 619 HD21 LEU 90 1HD2 LEU 90 6.880 2.692 0.175 620 HD22 LEU 90 2HD2 LEU 90 5.812 3.805 1.062 621 HD23 LEU 90 3HD2 LEU 90 7.489 3.560 1.605 622 H ARG 91 H ARG 91 9.996 0.873 4.584 623 HA ARG 91 HA ARG 91 10.655 3.367 5.438 624 HB2 ARG 91 1HB ARG 91 11.152 0.724 6.248 625 HB3 ARG 91 2HB ARG 91 12.763 1.355 5.975 626 HG2 ARG 91 1HG ARG 91 11.917 3.441 7.361 627 HG3 ARG 91 2HG ARG 91 10.648 2.360 7.904 628 HD2 ARG 91 1HD ARG 91 12.091 1.071 9.172 629 HD3 ARG 91 2HD ARG 91 13.407 1.216 8.024 630 HE ARG 91 HE ARG 91 12.913 3.781 9.231 631 HH11 ARG 91 2HH2 ARG 91 14.272 0.621 9.976 632 HH12 ARG 91 1HH2 ARG 91 15.348 1.229 11.190 633 HH21 ARG 91 2HH1 ARG 91 14.333 4.583 10.832 634 HH22 ARG 91 1HH1 ARG 91 15.383 3.497 11.680 635 H ASP 92 H ASP 92 12.864 1.009 3.739 636 HA ASP 92 HA ASP 92 14.984 2.625 3.421 637 HB2 ASP 92 1HB ASP 92 14.585 0.153 2.698 638 HB3 ASP 92 2HB ASP 92 13.984 0.811 1.189 639 H ALA 93 H ALA 93 12.062 2.279 1.294 640 HA ALA 93 HA ALA 93 12.783 3.876 -0.797 641 HB1 ALA 93 1HB ALA 93 10.011 3.964 0.413 642 HB2 ALA 93 2HB ALA 93 10.487 3.938 -1.303 643 HB3 ALA 93 3HB ALA 93 10.645 2.467 -0.313 644 H ALA 94 H ALA 94 11.248 4.871 2.338 645 HA ALA 94 HA ALA 94 11.071 7.571 1.779 646 HB1 ALA 94 1HB ALA 94 11.173 7.755 4.332 647 HB2 ALA 94 2HB ALA 94 9.933 6.663 3.670 648 HB3 ALA 94 3HB ALA 94 11.437 5.995 4.348 649 H LEU 95 H LEU 95 13.793 5.615 3.121 650 HA LEU 95 HA LEU 95 15.462 7.795 3.654 651 HB2 LEU 95 1HB LEU 95 16.274 4.975 2.951 652 HB3 LEU 95 2HB LEU 95 17.215 6.159 3.836 653 HG LEU 95 HG LEU 95 14.595 4.990 4.812 654 HD11 LEU 95 1HD1 LEU 95 15.794 3.486 6.175 655 HD12 LEU 95 2HD1 LEU 95 16.516 3.345 4.553 656 HD13 LEU 95 3HD1 LEU 95 17.351 4.274 5.821 657 HD21 LEU 95 1HD2 LEU 95 14.647 6.740 6.195 658 HD22 LEU 95 2HD2 LEU 95 16.008 5.916 6.994 659 HD23 LEU 95 3HD2 LEU 95 16.321 7.154 5.754 660 H ALA 96 H ALA 96 14.298 6.495 0.691 661 HA ALA 96 HA ALA 96 16.620 7.482 -0.782 662 HB1 ALA 96 1HB ALA 96 14.892 6.470 -2.646 663 HB2 ALA 96 2HB ALA 96 16.136 5.510 -1.809 664 HB3 ALA 96 3HB ALA 96 14.457 5.499 -1.220 665 H HIS 97 H HIS 97 13.745 8.627 0.541 666 HA HIS 97 HA HIS 97 12.586 10.468 0.256 667 HB2 HIS 97 1HB HIS 97 14.995 11.098 -1.408 668 HB3 HIS 97 2HB HIS 97 13.608 12.165 -1.511 669 HD1 HIS 97 1HD HIS 97 13.244 13.818 0.389 670 HD2 HIS 97 2HD HIS 97 16.158 10.929 1.263 671 HE1 HIS 97 1HE HIS 97 14.355 14.558 2.564 672 H LYS 98 H LYS 98 12.619 7.974 -1.731 673 HA LYS 98 HA LYS 98 10.395 8.978 -3.255 674 HB2 LYS 98 1HB LYS 98 12.273 9.621 -4.692 675 HB3 LYS 98 2HB LYS 98 12.888 7.980 -4.665 676 HG2 LYS 98 1HG LYS 98 10.030 8.462 -5.540 677 HG3 LYS 98 2HG LYS 98 11.331 8.809 -6.661 678 HD2 LYS 98 1HD LYS 98 11.839 6.235 -5.424 679 HD3 LYS 98 2HD LYS 98 10.190 6.254 -6.017 680 HE2 LYS 98 1HE LYS 98 11.083 5.759 -8.056 681 HE3 LYS 98 2HE LYS 98 11.557 7.444 -8.125 682 HZ1 LYS 98 1HZ LYS 98 13.636 6.777 -8.081 683 HZ2 LYS 98 2HZ LYS 98 13.438 6.111 -6.603 684 HZ3 LYS 98 3HZ LYS 98 13.195 5.210 -7.943 685 H VAL 99 H VAL 99 9.213 7.167 -4.335 686 HA VAL 99 HA VAL 99 10.012 4.504 -3.675 687 HB VAL 99 HB VAL 99 9.113 5.423 -1.520 688 HG11 VAL 99 1HG1 VAL 99 6.357 5.177 -1.875 689 HG12 VAL 99 2HG1 VAL 99 7.268 6.685 -1.623 690 HG13 VAL 99 3HG1 VAL 99 6.897 6.135 -3.275 691 HG21 VAL 99 1HG2 VAL 99 8.888 2.936 -2.611 692 HG22 VAL 99 2HG2 VAL 99 8.421 3.351 -0.944 693 HG23 VAL 99 3HG2 VAL 99 7.187 3.292 -2.225 694 H VAL 100 H VAL 100 8.436 2.905 -4.582 695 HA VAL 100 HA VAL 100 6.676 4.151 -6.570 696 HB VAL 100 HB VAL 100 8.738 1.984 -6.967 697 HG11 VAL 100 1HG1 VAL 100 7.484 1.017 -8.535 698 HG12 VAL 100 2HG1 VAL 100 6.146 2.128 -8.151 699 HG13 VAL 100 3HG1 VAL 100 7.341 2.569 -9.395 700 HG21 VAL 100 1HG2 VAL 100 9.892 3.862 -7.506 701 HG22 VAL 100 2HG2 VAL 100 9.021 3.688 -9.048 702 HG23 VAL 100 3HG2 VAL 100 8.420 4.815 -7.808 703 H LEU 101 H LEU 101 4.634 3.321 -6.578 704 HA LEU 101 HA LEU 101 4.271 0.788 -5.133 705 HB2 LEU 101 1HB LEU 101 2.176 2.928 -5.233 706 HB3 LEU 101 2HB LEU 101 2.341 1.585 -4.119 707 HG LEU 101 HG LEU 101 2.821 3.630 -2.959 708 HD11 LEU 101 1HD1 LEU 101 5.516 2.350 -3.429 709 HD12 LEU 101 2HD1 LEU 101 4.873 3.086 -1.940 710 HD13 LEU 101 3HD1 LEU 101 4.211 1.542 -2.528 711 HD21 LEU 101 1HD2 LEU 101 3.646 4.683 -5.276 712 HD22 LEU 101 2HD2 LEU 101 4.091 5.359 -3.691 713 HD23 LEU 101 3HD2 LEU 101 5.233 4.307 -4.562 714 H GLU 102 H GLU 102 3.002 -0.778 -6.107 715 HA GLU 102 HA GLU 102 1.989 -0.012 -8.735 716 HB2 GLU 102 1HB GLU 102 3.939 -1.522 -8.897 717 HB3 GLU 102 2HB GLU 102 3.160 -2.683 -7.840 718 HG2 GLU 102 1HG GLU 102 1.532 -3.275 -9.461 719 HG3 GLU 102 2HG GLU 102 1.737 -1.784 -10.359 720 H VAL 103 H VAL 103 -0.213 0.094 -8.687 721 HA VAL 103 HA VAL 103 -1.600 -1.710 -6.846 722 HB VAL 103 HB VAL 103 -2.899 0.557 -8.304 723 HG11 VAL 103 1HG1 VAL 103 -3.718 -1.287 -6.377 724 HG12 VAL 103 2HG1 VAL 103 -3.461 0.219 -5.463 725 HG13 VAL 103 3HG1 VAL 103 -4.568 0.202 -6.857 726 HG21 VAL 103 1HG2 VAL 103 -2.176 1.794 -6.005 727 HG22 VAL 103 2HG2 VAL 103 -0.730 0.796 -6.292 728 HG23 VAL 103 3HG2 VAL 103 -1.279 1.945 -7.535 729 H GLU 104 H GLU 104 -3.572 -2.806 -7.622 730 HA GLU 104 HA GLU 104 -3.393 -3.284 -10.496 731 HB2 GLU 104 1HB GLU 104 -2.627 -5.190 -8.967 732 HB3 GLU 104 2HB GLU 104 -4.283 -5.315 -8.408 733 HG2 GLU 104 1HG GLU 104 -5.094 -5.938 -10.582 734 HG3 GLU 104 2HG GLU 104 -3.626 -5.402 -11.376 735 H PHE 105 H PHE 105 -5.334 -3.303 -11.682 736 HA PHE 105 HA PHE 105 -7.855 -3.569 -10.524 737 HB2 PHE 105 1HB PHE 105 -8.532 -1.121 -10.774 738 HB3 PHE 105 2HB PHE 105 -7.345 -1.364 -9.508 739 HD1 PHE 105 1HD PHE 105 -7.474 -0.598 -13.163 740 HD2 PHE 105 2HD PHE 105 -5.523 0.047 -9.450 741 HE1 PHE 105 1HE PHE 105 -5.971 1.096 -14.246 742 HE2 PHE 105 2HE PHE 105 -4.020 1.741 -10.534 743 HZ PHE 105 HZ PHE 105 -4.262 2.245 -12.919 744 H ASP 106 H ASP 106 -9.621 -3.122 -12.124 745 HA ASP 106 HA ASP 106 -8.601 -3.679 -14.737 746 HB2 ASP 106 1HB ASP 106 -11.502 -3.307 -13.869 747 HB3 ASP 106 2HB ASP 106 -10.940 -4.123 -15.314 748 H SER 107 H SER 107 -8.075 -1.932 -16.062 749 HA SER 107 HA SER 107 -9.461 0.560 -15.577 750 HB2 SER 107 1HB SER 107 -6.811 0.053 -15.978 751 HB3 SER 107 2HB SER 107 -7.291 0.382 -17.631 752 HG SER 107 HG SER 107 -8.075 2.159 -15.506 753 H GLY 108 H GLY 108 -11.516 -0.041 -16.560 754 HA2 GLY 108 1HA GLY 108 -11.384 -0.081 -19.511 755 HA3 GLY 108 2HA GLY 108 -12.409 -1.194 -18.628 756 HA PRO 109 HA PRO 109 -14.783 2.640 -19.346 757 HB2 PRO 109 1HB PRO 109 -16.795 1.594 -20.870 758 HB3 PRO 109 2HB PRO 109 -15.382 2.372 -21.553 759 HG2 PRO 109 1HG PRO 109 -16.028 -0.509 -21.420 760 HG3 PRO 109 2HG PRO 109 -14.867 0.309 -22.446 761 HD2 PRO 109 1HD PRO 109 -14.294 -1.234 -20.097 762 HD3 PRO 109 2HD PRO 109 -13.147 -0.320 -21.057 763 H SER 110 H SER 110 -14.919 2.342 -17.003 764 HA SER 110 HA SER 110 -16.492 0.629 -15.746 765 HB2 SER 110 1HB SER 110 -15.261 2.304 -14.519 766 HB3 SER 110 2HB SER 110 -16.160 3.614 -15.260 767 HG SER 110 HG SER 110 -16.715 2.396 -12.956 768 H SER 111 H SER 111 -18.759 0.669 -14.932 769 HA SER 111 HA SER 111 -20.597 0.839 -16.873 770 HB2 SER 111 1HB SER 111 -22.304 0.893 -15.056 771 HB3 SER 111 2HB SER 111 -21.025 -0.261 -14.733 772 HG SER 111 HG SER 111 -21.783 1.962 -13.279 773 H GLY 112 H GLY 112 -21.279 2.536 -18.123 774 HA2 GLY 112 1HA GLY 112 -22.445 4.549 -18.353 775 HA3 GLY 112 2HA GLY 112 -21.849 5.091 -16.797 Start of MODEL 13 1 H1 GLY 1 H GLY 1 7.671 -21.071 -18.310 2 HA2 GLY 1 1HA GLY 1 7.425 -18.625 -16.787 3 HA3 GLY 1 2HA GLY 1 8.923 -19.494 -16.518 4 H SER 2 H SER 2 10.588 -18.810 -17.781 5 HA SER 2 HA SER 2 11.722 -18.114 -19.496 6 HB2 SER 2 1HB SER 2 10.005 -19.908 -20.644 7 HB3 SER 2 2HB SER 2 9.575 -18.469 -21.546 8 HG SER 2 HG SER 2 12.351 -18.929 -21.239 9 H SER 3 H SER 3 12.176 -16.020 -20.176 10 HA SER 3 HA SER 3 10.032 -14.343 -21.027 11 HB2 SER 3 1HB SER 3 10.692 -14.317 -18.285 12 HB3 SER 3 2HB SER 3 11.521 -12.917 -18.937 13 HG SER 3 HG SER 3 8.840 -13.302 -19.790 14 H GLY 4 H GLY 4 11.177 -14.098 -22.991 15 HA2 GLY 4 1HA GLY 4 13.976 -13.280 -22.891 16 HA3 GLY 4 2HA GLY 4 13.034 -13.706 -24.307 17 H SER 5 H SER 5 14.273 -11.606 -25.000 18 HA SER 5 HA SER 5 13.807 -9.164 -24.031 19 HB2 SER 5 1HB SER 5 14.017 -8.356 -26.433 20 HB3 SER 5 2HB SER 5 15.280 -9.449 -25.904 21 HG SER 5 HG SER 5 12.920 -10.330 -27.330 22 H SER 6 H SER 6 12.333 -7.358 -24.952 23 HA SER 6 HA SER 6 9.750 -8.447 -25.710 24 HB2 SER 6 1HB SER 6 10.381 -7.323 -23.147 25 HB3 SER 6 2HB SER 6 9.365 -6.161 -23.977 26 HG SER 6 HG SER 6 7.760 -7.781 -24.285 27 H GLY 7 H GLY 7 9.164 -7.471 -27.610 28 HA2 GLY 7 1HA GLY 7 10.379 -4.890 -28.283 29 HA3 GLY 7 2HA GLY 7 9.603 -6.016 -29.378 30 H GLY 8 H GLY 8 7.233 -6.186 -29.403 31 HA2 GLY 8 1HA GLY 8 5.984 -3.660 -28.554 32 HA3 GLY 8 2HA GLY 8 5.435 -4.723 -29.834 33 H GLY 9 H GLY 9 4.121 -3.632 -27.269 34 HA2 GLY 9 1HA GLY 9 3.742 -5.383 -25.260 35 HA3 GLY 9 2HA GLY 9 2.453 -4.424 -25.960 36 H GLN 10 H GLN 10 2.383 -7.193 -24.805 37 HA GLN 10 HA GLN 10 1.057 -8.387 -27.069 38 HB2 GLN 10 1HB GLN 10 3.334 -9.357 -27.131 39 HB3 GLN 10 2HB GLN 10 3.196 -9.844 -25.453 40 HG2 GLN 10 1HG GLN 10 1.696 -11.574 -25.922 41 HG3 GLN 10 2HG GLN 10 1.029 -10.766 -27.328 42 HE21 GLN 10 1HE2 GLN 10 1.714 -13.417 -27.371 43 HE22 GLN 10 2HE2 GLN 10 3.069 -13.687 -28.416 44 H ILE 11 H ILE 11 -0.973 -8.167 -26.109 45 HA ILE 11 HA ILE 11 -2.665 -8.622 -24.768 46 HB ILE 11 HB ILE 11 -0.870 -10.902 -23.955 47 HG12 ILE 11 1HG1 ILE 11 -3.368 -11.399 -25.436 48 HG13 ILE 11 2HG1 ILE 11 -2.197 -10.440 -26.319 49 HG21 ILE 11 1HG2 ILE 11 -3.607 -10.146 -22.987 50 HG22 ILE 11 2HG2 ILE 11 -3.169 -11.862 -23.162 51 HG23 ILE 11 3HG2 ILE 11 -2.219 -10.806 -22.089 52 HD11 ILE 11 1HD1 ILE 11 -2.161 -13.191 -26.170 53 HD12 ILE 11 2HD1 ILE 11 -0.738 -12.189 -26.544 54 HD13 ILE 11 3HD1 ILE 11 -1.015 -12.756 -24.879 55 H VAL 12 H VAL 12 -3.493 -8.136 -22.649 56 HA VAL 12 HA VAL 12 -1.449 -7.332 -20.716 57 HB VAL 12 HB VAL 12 -3.704 -5.639 -21.799 58 HG11 VAL 12 1HG1 VAL 12 -2.696 -5.718 -19.128 59 HG12 VAL 12 2HG1 VAL 12 -2.127 -4.213 -19.890 60 HG13 VAL 12 3HG1 VAL 12 -3.868 -4.585 -19.843 61 HG21 VAL 12 1HG2 VAL 12 -1.140 -5.867 -22.707 62 HG22 VAL 12 2HG2 VAL 12 -2.142 -4.405 -22.864 63 HG23 VAL 12 3HG2 VAL 12 -0.972 -4.543 -21.530 64 H HIS 13 H HIS 13 -1.914 -9.091 -19.368 65 HA HIS 13 HA HIS 13 -4.356 -10.155 -18.851 66 HB2 HIS 13 1HB HIS 13 -1.739 -10.356 -17.826 67 HB3 HIS 13 2HB HIS 13 -2.759 -10.055 -16.434 68 HD1 HIS 13 1HD HIS 13 -1.557 -12.746 -16.396 69 HD2 HIS 13 2HD HIS 13 -5.099 -11.984 -18.510 70 HE1 HIS 13 1HE HIS 13 -2.722 -14.999 -16.676 71 H THR 14 H THR 14 -2.735 -7.916 -16.493 72 HA THR 14 HA THR 14 -5.362 -6.652 -16.091 73 HB THR 14 HB THR 14 -3.400 -7.238 -13.834 74 HG1 THR 14 1HG THR 14 -4.791 -9.193 -13.601 75 HG21 THR 14 1HG2 THR 14 -5.674 -7.416 -12.612 76 HG22 THR 14 2HG2 THR 14 -5.212 -5.782 -13.147 77 HG23 THR 14 3HG2 THR 14 -6.403 -6.720 -14.080 78 H GLU 15 H GLU 15 -5.248 -4.465 -15.150 79 HA GLU 15 HA GLU 15 -3.020 -3.113 -16.365 80 HB2 GLU 15 1HB GLU 15 -5.743 -2.318 -15.356 81 HB3 GLU 15 2HB GLU 15 -4.511 -1.075 -15.451 82 HG2 GLU 15 1HG GLU 15 -4.528 -2.732 -17.876 83 HG3 GLU 15 2HG GLU 15 -6.109 -2.038 -17.576 84 H THR 16 H THR 16 -1.737 -1.474 -15.206 85 HA THR 16 HA THR 16 -1.895 -1.527 -12.309 86 HB THR 16 HB THR 16 0.701 -2.072 -12.405 87 HG1 THR 16 1HG THR 16 1.071 -2.277 -14.611 88 HG21 THR 16 1HG2 THR 16 -0.882 -4.495 -13.223 89 HG22 THR 16 2HG2 THR 16 0.234 -4.287 -11.852 90 HG23 THR 16 3HG2 THR 16 -1.425 -3.650 -11.754 91 H THR 17 H THR 17 -1.265 0.368 -11.382 92 HA THR 17 HA THR 17 -0.179 2.362 -13.259 93 HB THR 17 HB THR 17 -2.599 2.545 -12.238 94 HG1 THR 17 1HG THR 17 -1.239 4.255 -13.264 95 HG21 THR 17 1HG2 THR 17 -0.824 3.427 -9.901 96 HG22 THR 17 2HG2 THR 17 -2.556 3.807 -10.056 97 HG23 THR 17 3HG2 THR 17 -2.030 2.118 -9.860 98 H GLU 18 H GLU 18 1.681 3.419 -12.795 99 HA GLU 18 HA GLU 18 2.934 2.584 -10.304 100 HB2 GLU 18 1HB GLU 18 4.104 1.981 -12.431 101 HB3 GLU 18 2HB GLU 18 4.210 3.679 -12.851 102 HG2 GLU 18 1HG GLU 18 5.722 4.159 -11.068 103 HG3 GLU 18 2HG GLU 18 5.304 2.699 -10.194 104 H VAL 19 H VAL 19 3.461 4.091 -8.743 105 HA VAL 19 HA VAL 19 3.226 6.910 -9.531 106 HB VAL 19 HB VAL 19 2.117 5.513 -7.092 107 HG11 VAL 19 1HG1 VAL 19 1.939 8.486 -7.597 108 HG12 VAL 19 2HG1 VAL 19 1.616 7.581 -6.099 109 HG13 VAL 19 3HG1 VAL 19 3.288 7.775 -6.680 110 HG21 VAL 19 1HG2 VAL 19 0.802 5.476 -9.258 111 HG22 VAL 19 2HG2 VAL 19 -0.030 6.206 -7.864 112 HG23 VAL 19 3HG2 VAL 19 0.680 7.246 -9.122 113 H VAL 20 H VAL 20 4.914 8.197 -8.900 114 HA VAL 20 HA VAL 20 6.962 6.867 -7.280 115 HB VAL 20 HB VAL 20 7.057 9.080 -9.331 116 HG11 VAL 20 1HG1 VAL 20 9.420 8.018 -7.756 117 HG12 VAL 20 2HG1 VAL 20 9.390 9.374 -8.909 118 HG13 VAL 20 3HG1 VAL 20 8.557 9.519 -7.342 119 HG21 VAL 20 1HG2 VAL 20 7.608 6.192 -9.324 120 HG22 VAL 20 2HG2 VAL 20 7.285 7.297 -10.681 121 HG23 VAL 20 3HG2 VAL 20 8.927 7.173 -10.005 122 H LEU 21 H LEU 21 6.401 7.305 -5.161 123 HA LEU 21 HA LEU 21 5.537 9.979 -4.486 124 HB2 LEU 21 1HB LEU 21 5.260 7.340 -3.407 125 HB3 LEU 21 2HB LEU 21 5.971 8.378 -2.187 126 HG LEU 21 HG LEU 21 4.081 10.002 -2.570 127 HD11 LEU 21 1HD1 LEU 21 3.452 9.249 -4.824 128 HD12 LEU 21 2HD1 LEU 21 2.876 7.709 -4.144 129 HD13 LEU 21 3HD1 LEU 21 2.070 9.233 -3.702 130 HD21 LEU 21 1HD2 LEU 21 3.680 7.232 -1.475 131 HD22 LEU 21 2HD2 LEU 21 3.880 8.778 -0.615 132 HD23 LEU 21 3HD2 LEU 21 2.352 8.418 -1.454 133 H CYS 22 H CYS 22 6.661 11.385 -3.022 134 HA CYS 22 HA CYS 22 9.465 10.671 -2.625 135 HB2 CYS 22 1HB CYS 22 9.748 13.310 -3.068 136 HB3 CYS 22 2HB CYS 22 9.946 12.098 -4.318 137 HG CYS 22 HG CYS 22 8.028 14.512 -4.148 138 H GLY 23 H GLY 23 9.574 10.538 -0.400 139 HA2 GLY 23 1HA GLY 23 8.404 12.775 1.132 140 HA3 GLY 23 2HA GLY 23 8.134 11.110 1.608 141 H ASP 24 H ASP 24 9.254 12.355 3.596 142 HA ASP 24 HA ASP 24 12.119 12.330 3.268 143 HB2 ASP 24 1HB ASP 24 11.010 12.825 5.973 144 HB3 ASP 24 2HB ASP 24 12.174 13.765 5.061 145 HA PRO 25 HA PRO 25 12.551 8.608 5.551 146 HB2 PRO 25 1HB PRO 25 14.742 9.006 7.136 147 HB3 PRO 25 2HB PRO 25 14.850 8.634 5.427 148 HG2 PRO 25 1HG PRO 25 15.272 11.223 6.791 149 HG3 PRO 25 2HG PRO 25 15.778 10.732 5.186 150 HD2 PRO 25 1HD PRO 25 13.570 12.441 5.842 151 HD3 PRO 25 2HD PRO 25 14.006 11.856 4.248 152 H LEU 26 H LEU 26 12.809 11.366 7.721 153 HA LEU 26 HA LEU 26 11.940 9.833 9.951 154 HB2 LEU 26 1HB LEU 26 12.655 12.644 9.363 155 HB3 LEU 26 2HB LEU 26 11.538 12.398 10.691 156 HG LEU 26 HG LEU 26 14.023 12.532 11.245 157 HD11 LEU 26 1HD1 LEU 26 12.277 10.253 12.191 158 HD12 LEU 26 2HD1 LEU 26 13.846 10.648 12.933 159 HD13 LEU 26 3HD1 LEU 26 12.530 11.846 12.944 160 HD21 LEU 26 1HD2 LEU 26 14.981 10.044 11.110 161 HD22 LEU 26 2HD2 LEU 26 13.965 10.020 9.649 162 HD23 LEU 26 3HD2 LEU 26 15.242 11.247 9.825 163 H SER 27 H SER 27 10.388 12.234 7.727 164 HA SER 27 HA SER 27 7.893 11.953 9.006 165 HB2 SER 27 1HB SER 27 9.058 13.676 7.091 166 HB3 SER 27 2HB SER 27 7.744 12.895 6.235 167 HG SER 27 HG SER 27 7.625 14.488 8.633 168 H GLY 28 H GLY 28 9.603 10.354 6.327 169 HA2 GLY 28 1HA GLY 28 9.149 8.385 5.308 170 HA3 GLY 28 2HA GLY 28 7.726 8.194 6.312 171 H PHE 29 H PHE 29 5.862 8.074 5.151 172 HA PHE 29 HA PHE 29 5.621 9.883 2.857 173 HB2 PHE 29 1HB PHE 29 4.991 6.900 3.198 174 HB3 PHE 29 2HB PHE 29 4.230 7.835 1.927 175 HD1 PHE 29 2HD PHE 29 6.069 9.331 0.566 176 HD2 PHE 29 1HD PHE 29 6.811 5.657 2.556 177 HE1 PHE 29 2HE PHE 29 8.053 8.928 -0.918 178 HE2 PHE 29 1HE PHE 29 8.795 5.254 1.072 179 HZ PHE 29 HZ PHE 29 9.392 6.895 -0.647 180 H GLY 30 H GLY 30 3.321 7.373 3.974 181 HA2 GLY 30 1HA GLY 30 1.748 8.377 5.797 182 HA3 GLY 30 2HA GLY 30 1.371 9.499 4.504 183 H LEU 31 H LEU 31 1.897 5.905 4.811 184 HA LEU 31 HA LEU 31 -0.775 5.475 3.797 185 HB2 LEU 31 1HB LEU 31 -0.268 4.449 1.830 186 HB3 LEU 31 2HB LEU 31 0.908 5.748 1.852 187 HG LEU 31 HG LEU 31 2.264 3.663 3.084 188 HD11 LEU 31 1HD1 LEU 31 1.234 2.336 0.639 189 HD12 LEU 31 2HD1 LEU 31 1.780 1.646 2.186 190 HD13 LEU 31 3HD1 LEU 31 0.152 2.356 2.053 191 HD21 LEU 31 1HD2 LEU 31 3.615 4.770 1.669 192 HD22 LEU 31 2HD2 LEU 31 3.144 3.493 0.521 193 HD23 LEU 31 3HD2 LEU 31 2.317 5.069 0.488 194 H GLN 32 H GLN 32 -1.609 3.426 4.384 195 HA GLN 32 HA GLN 32 0.225 1.881 6.045 196 HB2 GLN 32 1HB GLN 32 -2.417 3.060 6.690 197 HB3 GLN 32 2HB GLN 32 -2.279 1.367 7.124 198 HG2 GLN 32 1HG GLN 32 -0.014 3.240 7.841 199 HG3 GLN 32 2HG GLN 32 -1.476 3.280 8.806 200 HE21 GLN 32 1HE2 GLN 32 -2.187 1.392 9.879 201 HE22 GLN 32 2HE2 GLN 32 -1.093 0.122 10.313 202 H LEU 33 H LEU 33 0.338 -0.293 5.570 203 HA LEU 33 HA LEU 33 -1.388 -1.215 3.423 204 HB2 LEU 33 1HB LEU 33 1.192 -2.166 4.634 205 HB3 LEU 33 2HB LEU 33 0.237 -3.216 3.607 206 HG LEU 33 HG LEU 33 1.472 -0.560 2.838 207 HD11 LEU 33 1HD1 LEU 33 3.232 -1.722 2.156 208 HD12 LEU 33 2HD1 LEU 33 2.511 -3.188 2.863 209 HD13 LEU 33 3HD1 LEU 33 2.198 -2.774 1.160 210 HD21 LEU 33 1HD2 LEU 33 -0.436 -0.482 1.564 211 HD22 LEU 33 2HD2 LEU 33 0.648 -1.397 0.488 212 HD23 LEU 33 3HD2 LEU 33 -0.575 -2.254 1.457 213 H GLN 34 H GLN 34 -2.470 -3.333 3.561 214 HA GLN 34 HA GLN 34 -2.996 -4.100 6.318 215 HB2 GLN 34 1HB GLN 34 -4.968 -2.920 5.946 216 HB3 GLN 34 2HB GLN 34 -4.960 -3.222 4.220 217 HG2 GLN 34 1HG GLN 34 -5.920 -5.351 4.438 218 HG3 GLN 34 2HG GLN 34 -5.285 -5.595 6.053 219 HE21 GLN 34 1HE2 GLN 34 -7.760 -4.113 4.102 220 HE22 GLN 34 2HE2 GLN 34 -8.878 -3.721 5.365 221 H GLY 35 H GLY 35 -2.408 -6.209 6.552 222 HA2 GLY 35 1HA GLY 35 -3.176 -8.113 4.469 223 HA3 GLY 35 2HA GLY 35 -1.469 -7.961 4.833 224 H GLY 36 H GLY 36 -1.088 -9.945 5.839 225 HA2 GLY 36 1HA GLY 36 -2.799 -11.257 7.591 226 HA3 GLY 36 2HA GLY 36 -1.061 -11.463 7.494 227 H ILE 37 H ILE 37 -2.296 -11.706 9.971 228 HA ILE 37 HA ILE 37 -2.221 -9.180 11.330 229 HB ILE 37 HB ILE 37 -2.644 -12.032 12.201 230 HG12 ILE 37 1HG1 ILE 37 -4.865 -10.568 12.876 231 HG13 ILE 37 2HG1 ILE 37 -4.366 -9.778 11.394 232 HG21 ILE 37 1HG2 ILE 37 -2.015 -11.457 14.255 233 HG22 ILE 37 2HG2 ILE 37 -1.860 -9.741 13.811 234 HG23 ILE 37 3HG2 ILE 37 -3.442 -10.394 14.301 235 HD11 ILE 37 1HD1 ILE 37 -5.463 -11.466 10.329 236 HD12 ILE 37 2HD1 ILE 37 -4.053 -12.468 10.750 237 HD13 ILE 37 3HD1 ILE 37 -5.495 -12.478 11.794 238 H PHE 38 H PHE 38 -0.222 -12.200 11.231 239 HA PHE 38 HA PHE 38 1.740 -11.061 12.959 240 HB2 PHE 38 1HB PHE 38 1.172 -13.561 11.384 241 HB3 PHE 38 2HB PHE 38 2.878 -13.236 11.623 242 HD1 PHE 38 2HD PHE 38 -0.253 -13.186 13.673 243 HD2 PHE 38 1HD PHE 38 3.849 -14.250 13.440 244 HE1 PHE 38 2HE PHE 38 -0.383 -14.190 15.970 245 HE2 PHE 38 1HE PHE 38 3.719 -15.254 15.737 246 HZ PHE 38 HZ PHE 38 1.604 -15.212 16.974 247 H ALA 39 H ALA 39 4.119 -10.987 12.259 248 HA ALA 39 HA ALA 39 4.224 -9.541 9.724 249 HB1 ALA 39 1HB ALA 39 5.177 -8.172 11.319 250 HB2 ALA 39 2HB ALA 39 5.757 -9.538 12.303 251 HB3 ALA 39 3HB ALA 39 6.623 -9.082 10.816 252 H THR 40 H THR 40 5.908 -12.155 11.591 253 HA THR 40 HA THR 40 7.540 -12.859 9.347 254 HB THR 40 HB THR 40 8.448 -14.470 10.891 255 HG1 THR 40 1HG THR 40 5.984 -13.969 12.402 256 HG21 THR 40 1HG2 THR 40 8.133 -11.834 11.760 257 HG22 THR 40 2HG2 THR 40 7.424 -12.769 13.098 258 HG23 THR 40 3HG2 THR 40 9.105 -13.070 12.594 259 H GLU 41 H GLU 41 5.847 -13.044 7.701 260 HA GLU 41 HA GLU 41 5.243 -15.709 7.269 261 HB2 GLU 41 1HB GLU 41 3.200 -14.201 8.764 262 HB3 GLU 41 2HB GLU 41 2.565 -14.886 7.281 263 HG2 GLU 41 1HG GLU 41 4.303 -16.785 8.724 264 HG3 GLU 41 2HG GLU 41 2.954 -16.251 9.707 265 H THR 42 H THR 42 5.093 -15.943 5.063 266 HA THR 42 HA THR 42 5.325 -13.711 3.398 267 HB THR 42 HB THR 42 4.310 -16.442 2.518 268 HG1 THR 42 1HG THR 42 6.395 -17.213 3.058 269 HG21 THR 42 1HG2 THR 42 4.864 -15.241 0.576 270 HG22 THR 42 2HG2 THR 42 6.065 -14.237 1.423 271 HG23 THR 42 3HG2 THR 42 6.459 -15.916 0.985 272 H LEU 43 H LEU 43 3.872 -13.019 1.638 273 HA LEU 43 HA LEU 43 1.118 -12.999 2.646 274 HB2 LEU 43 1HB LEU 43 2.640 -11.018 0.950 275 HB3 LEU 43 2HB LEU 43 0.920 -10.921 1.268 276 HG LEU 43 HG LEU 43 3.070 -10.852 3.403 277 HD11 LEU 43 1HD1 LEU 43 1.999 -8.381 3.468 278 HD12 LEU 43 2HD1 LEU 43 3.449 -8.806 2.527 279 HD13 LEU 43 3HD1 LEU 43 1.862 -8.726 1.727 280 HD21 LEU 43 1HD2 LEU 43 1.123 -11.663 4.429 281 HD22 LEU 43 2HD2 LEU 43 1.119 -9.916 4.768 282 HD23 LEU 43 3HD2 LEU 43 0.067 -10.578 3.494 283 H SER 44 H SER 44 -0.344 -14.195 1.561 284 HA SER 44 HA SER 44 0.450 -15.359 -0.911 285 HB2 SER 44 1HB SER 44 -1.688 -15.740 1.102 286 HB3 SER 44 2HB SER 44 -2.229 -16.016 -0.542 287 HG SER 44 HG SER 44 -0.400 -17.501 -0.807 288 H SER 45 H SER 45 -1.383 -12.575 0.187 289 HA SER 45 HA SER 45 -2.086 -12.071 -2.589 290 HB2 SER 45 1HB SER 45 -3.918 -12.431 -0.344 291 HB3 SER 45 2HB SER 45 -4.083 -10.817 -1.005 292 HG SER 45 HG SER 45 -5.408 -12.631 -1.999 293 HA PRO 46 HA PRO 46 -0.558 -8.087 -1.728 294 HB2 PRO 46 1HB PRO 46 -2.075 -6.434 -3.289 295 HB3 PRO 46 2HB PRO 46 -0.759 -7.405 -3.918 296 HG2 PRO 46 1HG PRO 46 -3.671 -7.837 -4.183 297 HG3 PRO 46 2HG PRO 46 -2.369 -8.524 -5.132 298 HD2 PRO 46 1HD PRO 46 -3.867 -9.838 -3.069 299 HD3 PRO 46 2HD PRO 46 -2.490 -10.485 -3.939 300 HA PRO 47 HA PRO 47 -2.794 -6.404 1.483 301 HB2 PRO 47 1HB PRO 47 -1.016 -4.506 2.323 302 HB3 PRO 47 2HB PRO 47 -0.922 -6.188 2.806 303 HG2 PRO 47 1HG PRO 47 0.750 -4.723 0.858 304 HG3 PRO 47 2HG PRO 47 1.079 -6.245 1.661 305 HD2 PRO 47 1HD PRO 47 0.225 -5.886 -1.054 306 HD3 PRO 47 2HD PRO 47 0.442 -7.410 -0.216 307 H LEU 48 H LEU 48 -4.265 -4.791 1.965 308 HA LEU 48 HA LEU 48 -4.475 -2.891 -0.240 309 HB2 LEU 48 1HB LEU 48 -6.538 -3.315 1.894 310 HB3 LEU 48 2HB LEU 48 -6.740 -2.718 0.259 311 HG LEU 48 HG LEU 48 -5.708 -5.470 0.375 312 HD11 LEU 48 1HD1 LEU 48 -7.051 -5.701 2.330 313 HD12 LEU 48 2HD1 LEU 48 -8.406 -4.821 1.584 314 HD13 LEU 48 3HD1 LEU 48 -7.949 -6.431 0.978 315 HD21 LEU 48 1HD2 LEU 48 -6.908 -3.873 -1.493 316 HD22 LEU 48 2HD2 LEU 48 -6.763 -5.644 -1.593 317 HD23 LEU 48 3HD2 LEU 48 -8.260 -4.907 -0.973 318 H VAL 49 H VAL 49 -5.287 -0.626 0.413 319 HA VAL 49 HA VAL 49 -3.377 0.415 2.263 320 HB VAL 49 HB VAL 49 -5.565 1.612 0.566 321 HG11 VAL 49 1HG1 VAL 49 -3.682 3.579 1.504 322 HG12 VAL 49 2HG1 VAL 49 -5.455 3.548 1.667 323 HG13 VAL 49 3HG1 VAL 49 -4.434 2.761 2.895 324 HG21 VAL 49 1HG2 VAL 49 -2.535 1.645 0.377 325 HG22 VAL 49 2HG2 VAL 49 -3.669 0.792 -0.698 326 HG23 VAL 49 3HG2 VAL 49 -3.631 2.571 -0.676 327 H CYS 50 H CYS 50 -3.813 -0.303 4.357 328 HA CYS 50 HA CYS 50 -6.303 -0.570 5.469 329 HB2 CYS 50 1HB CYS 50 -3.888 -1.196 6.335 330 HB3 CYS 50 2HB CYS 50 -3.997 0.344 7.165 331 HG CYS 50 HG CYS 50 -4.684 -1.454 8.873 332 H PHE 51 H PHE 51 -3.980 2.229 5.690 333 HA PHE 51 HA PHE 51 -6.251 4.025 5.753 334 HB2 PHE 51 1HB PHE 51 -5.933 3.667 8.128 335 HB3 PHE 51 2HB PHE 51 -4.195 3.516 7.954 336 HD1 PHE 51 1HD PHE 51 -6.990 5.865 8.205 337 HD2 PHE 51 2HD PHE 51 -2.779 5.483 7.847 338 HE1 PHE 51 1HE PHE 51 -6.717 8.278 8.838 339 HE2 PHE 51 2HE PHE 51 -2.506 7.896 8.480 340 HZ PHE 51 HZ PHE 51 -4.479 9.265 8.968 341 H ILE 52 H ILE 52 -5.367 6.412 5.829 342 HA ILE 52 HA ILE 52 -2.732 6.582 4.603 343 HB ILE 52 HB ILE 52 -5.322 7.138 3.260 344 HG12 ILE 52 1HG1 ILE 52 -2.597 6.329 2.204 345 HG13 ILE 52 2HG1 ILE 52 -3.848 5.204 2.695 346 HG21 ILE 52 1HG2 ILE 52 -2.912 8.938 3.092 347 HG22 ILE 52 2HG2 ILE 52 -4.027 8.738 1.718 348 HG23 ILE 52 3HG2 ILE 52 -4.630 9.367 3.270 349 HD11 ILE 52 1HD1 ILE 52 -5.408 6.412 1.030 350 HD12 ILE 52 2HD1 ILE 52 -3.943 7.210 0.409 351 HD13 ILE 52 3HD1 ILE 52 -4.095 5.438 0.325 352 H GLU 53 H GLU 53 -1.646 8.486 5.108 353 HA GLU 53 HA GLU 53 -2.757 9.909 7.286 354 HB2 GLU 53 1HB GLU 53 -0.145 9.754 5.870 355 HB3 GLU 53 2HB GLU 53 -0.491 11.316 6.585 356 HG2 GLU 53 1HG GLU 53 -1.277 9.470 8.570 357 HG3 GLU 53 2HG GLU 53 0.185 8.773 7.902 358 HA PRO 54 HA PRO 54 -4.489 13.189 5.025 359 HB2 PRO 54 1HB PRO 54 -4.763 15.059 6.999 360 HB3 PRO 54 2HB PRO 54 -5.893 13.739 6.765 361 HG2 PRO 54 1HG PRO 54 -3.813 14.052 8.842 362 HG3 PRO 54 2HG PRO 54 -5.203 12.986 8.833 363 HD2 PRO 54 1HD PRO 54 -2.477 12.255 8.325 364 HD3 PRO 54 2HD PRO 54 -3.881 11.214 8.202 365 H ASP 55 H ASP 55 -3.978 14.907 3.726 366 HA ASP 55 HA ASP 55 -2.689 16.392 2.815 367 HB2 ASP 55 1HB ASP 55 -2.002 16.719 5.717 368 HB3 ASP 55 2HB ASP 55 -0.881 17.441 4.581 369 H SER 56 H SER 56 -1.783 13.447 3.535 370 HA SER 56 HA SER 56 1.074 13.756 3.445 371 HB2 SER 56 1HB SER 56 1.151 11.640 4.288 372 HB3 SER 56 2HB SER 56 -0.548 11.893 4.632 373 HG SER 56 HG SER 56 -1.017 10.339 3.249 374 HA PRO 57 HA PRO 57 1.491 12.698 -0.773 375 HB2 PRO 57 1HB PRO 57 3.254 10.618 -0.946 376 HB3 PRO 57 2HB PRO 57 3.751 12.273 -0.657 377 HG2 PRO 57 1HG PRO 57 3.613 10.020 1.251 378 HG3 PRO 57 2HG PRO 57 4.487 11.531 1.399 379 HD2 PRO 57 1HD PRO 57 2.026 10.837 2.700 380 HD3 PRO 57 2HD PRO 57 2.840 12.388 2.755 381 H ALA 58 H ALA 58 1.089 9.643 0.942 382 HA ALA 58 HA ALA 58 0.119 8.175 -1.164 383 HB1 ALA 58 1HB ALA 58 -1.171 7.788 1.495 384 HB2 ALA 58 2HB ALA 58 -0.327 6.619 0.451 385 HB3 ALA 58 3HB ALA 58 0.608 7.741 1.469 386 H GLU 59 H GLU 59 -1.350 10.844 0.605 387 HA GLU 59 HA GLU 59 -3.955 10.165 -0.431 388 HB2 GLU 59 1HB GLU 59 -3.771 10.975 1.898 389 HB3 GLU 59 2HB GLU 59 -3.021 12.461 1.348 390 HG2 GLU 59 1HG GLU 59 -5.525 12.620 1.836 391 HG3 GLU 59 2HG GLU 59 -5.032 13.209 0.261 392 H ARG 60 H ARG 60 -1.437 12.751 -0.676 393 HA ARG 60 HA ARG 60 -2.750 14.467 -2.289 394 HB2 ARG 60 1HB ARG 60 0.159 13.676 -2.013 395 HB3 ARG 60 2HB ARG 60 -0.279 14.786 -3.297 396 HG2 ARG 60 1HG ARG 60 -1.657 15.862 -1.140 397 HG3 ARG 60 2HG ARG 60 -0.226 15.223 -0.356 398 HD2 ARG 60 1HD ARG 60 1.251 16.558 -1.703 399 HD3 ARG 60 2HD ARG 60 0.001 16.910 -2.879 400 HE ARG 60 HE ARG 60 -0.919 17.899 -0.383 401 HH11 ARG 60 2HH2 ARG 60 1.691 18.528 -2.659 402 HH12 ARG 60 1HH2 ARG 60 1.830 20.202 -2.233 403 HH21 ARG 60 2HH1 ARG 60 -0.736 20.106 0.178 404 HH22 ARG 60 1HH1 ARG 60 0.440 21.105 -0.609 405 H CYS 61 H CYS 61 -1.396 11.278 -3.040 406 HA CYS 61 HA CYS 61 -1.168 11.558 -5.800 407 HB2 CYS 61 1HB CYS 61 -0.329 9.671 -4.212 408 HB3 CYS 61 2HB CYS 61 -1.907 8.953 -4.470 409 HG CYS 61 HG CYS 61 -1.777 8.438 -6.863 410 H GLY 62 H GLY 62 -3.897 11.123 -3.583 411 HA2 GLY 62 1HA GLY 62 -6.118 11.234 -3.937 412 HA3 GLY 62 2HA GLY 62 -5.805 11.733 -5.588 413 H LEU 63 H LEU 63 -4.662 9.728 -6.920 414 HA LEU 63 HA LEU 63 -6.673 7.920 -7.374 415 HB2 LEU 63 1HB LEU 63 -5.391 7.435 -9.094 416 HB3 LEU 63 2HB LEU 63 -4.208 8.560 -8.460 417 HG LEU 63 HG LEU 63 -3.299 6.551 -7.108 418 HD11 LEU 63 1HD1 LEU 63 -3.954 4.432 -7.549 419 HD12 LEU 63 2HD1 LEU 63 -5.481 5.242 -7.976 420 HD13 LEU 63 3HD1 LEU 63 -4.332 4.780 -9.254 421 HD21 LEU 63 1HD2 LEU 63 -1.835 7.322 -8.692 422 HD22 LEU 63 2HD2 LEU 63 -2.158 5.688 -9.320 423 HD23 LEU 63 3HD2 LEU 63 -2.984 7.095 -10.033 424 H LEU 64 H LEU 64 -4.011 7.844 -5.006 425 HA LEU 64 HA LEU 64 -4.568 5.097 -4.327 426 HB2 LEU 64 1HB LEU 64 -2.318 6.524 -4.294 427 HB3 LEU 64 2HB LEU 64 -2.845 6.857 -2.656 428 HG LEU 64 HG LEU 64 -2.830 4.005 -3.548 429 HD11 LEU 64 1HD1 LEU 64 -0.594 3.708 -3.656 430 HD12 LEU 64 2HD1 LEU 64 -0.621 5.409 -4.179 431 HD13 LEU 64 3HD1 LEU 64 -0.248 5.004 -2.487 432 HD21 LEU 64 1HD2 LEU 64 -2.232 5.451 -0.956 433 HD22 LEU 64 2HD2 LEU 64 -3.650 4.449 -1.348 434 HD23 LEU 64 3HD2 LEU 64 -2.045 3.696 -1.189 435 H GLN 65 H GLN 65 -5.886 4.377 -2.710 436 HA GLN 65 HA GLN 65 -6.581 6.099 -0.573 437 HB2 GLN 65 1HB GLN 65 -8.999 6.205 -0.994 438 HB3 GLN 65 2HB GLN 65 -8.126 6.965 -2.310 439 HG2 GLN 65 1HG GLN 65 -8.322 4.861 -3.654 440 HG3 GLN 65 2HG GLN 65 -9.196 4.102 -2.338 441 HE21 GLN 65 1HE2 GLN 65 -11.057 3.776 -3.459 442 HE22 GLN 65 2HE2 GLN 65 -12.134 5.037 -3.960 443 H VAL 66 H VAL 66 -8.025 4.937 1.037 444 HA VAL 66 HA VAL 66 -7.114 2.443 1.602 445 HB VAL 66 HB VAL 66 -9.714 3.821 2.267 446 HG11 VAL 66 1HG1 VAL 66 -9.090 1.051 2.627 447 HG12 VAL 66 2HG1 VAL 66 -9.082 1.841 4.221 448 HG13 VAL 66 3HG1 VAL 66 -10.520 1.954 3.179 449 HG21 VAL 66 1HG2 VAL 66 -7.082 3.454 3.729 450 HG22 VAL 66 2HG2 VAL 66 -7.819 4.972 3.163 451 HG23 VAL 66 3HG2 VAL 66 -8.564 4.067 4.502 452 H GLY 67 H GLY 67 -7.478 0.376 0.914 453 HA2 GLY 67 1HA GLY 67 -9.038 -1.276 0.147 454 HA3 GLY 67 2HA GLY 67 -9.798 -0.061 -0.862 455 H ASP 68 H ASP 68 -7.298 1.201 -1.802 456 HA ASP 68 HA ASP 68 -6.912 -0.147 -4.092 457 HB2 ASP 68 1HB ASP 68 -5.053 1.647 -2.487 458 HB3 ASP 68 2HB ASP 68 -4.566 1.024 -4.051 459 H ARG 69 H ARG 69 -5.300 -1.693 -4.857 460 HA ARG 69 HA ARG 69 -4.216 -3.273 -2.699 461 HB2 ARG 69 1HB ARG 69 -4.663 -3.797 -5.671 462 HB3 ARG 69 2HB ARG 69 -3.733 -4.902 -4.679 463 HG2 ARG 69 1HG ARG 69 -5.760 -5.882 -4.262 464 HG3 ARG 69 2HG ARG 69 -5.952 -4.593 -3.091 465 HD2 ARG 69 1HD ARG 69 -7.906 -4.244 -4.284 466 HD3 ARG 69 2HD ARG 69 -6.844 -3.250 -5.261 467 HE ARG 69 HE ARG 69 -6.971 -4.831 -6.996 468 HH11 ARG 69 2HH2 ARG 69 -8.251 -6.225 -4.029 469 HH12 ARG 69 1HH2 ARG 69 -8.880 -7.636 -4.813 470 HH21 ARG 69 2HH1 ARG 69 -7.801 -6.692 -8.030 471 HH22 ARG 69 1HH1 ARG 69 -8.623 -7.904 -7.104 472 H VAL 70 H VAL 70 -1.943 -3.941 -2.688 473 HA VAL 70 HA VAL 70 -0.247 -2.242 -4.385 474 HB VAL 70 HB VAL 70 -0.063 -2.934 -1.460 475 HG11 VAL 70 1HG1 VAL 70 2.142 -2.149 -3.358 476 HG12 VAL 70 2HG1 VAL 70 2.198 -1.657 -1.649 477 HG13 VAL 70 3HG1 VAL 70 2.139 -3.384 -2.076 478 HG21 VAL 70 1HG2 VAL 70 -0.280 -0.409 -3.086 479 HG22 VAL 70 2HG2 VAL 70 -1.233 -0.936 -1.677 480 HG23 VAL 70 3HG2 VAL 70 0.443 -0.375 -1.459 481 H LEU 71 H LEU 71 0.298 -3.706 -5.981 482 HA LEU 71 HA LEU 71 0.747 -6.435 -5.431 483 HB2 LEU 71 1HB LEU 71 1.536 -4.734 -7.800 484 HB3 LEU 71 2HB LEU 71 1.610 -6.484 -7.741 485 HG LEU 71 HG LEU 71 -0.872 -4.753 -7.635 486 HD11 LEU 71 1HD1 LEU 71 -1.203 -6.559 -9.662 487 HD12 LEU 71 2HD1 LEU 71 -0.616 -4.890 -9.855 488 HD13 LEU 71 3HD1 LEU 71 0.545 -6.234 -9.742 489 HD21 LEU 71 1HD2 LEU 71 -0.458 -7.595 -6.862 490 HD22 LEU 71 2HD2 LEU 71 -1.633 -6.396 -6.269 491 HD23 LEU 71 3HD2 LEU 71 -1.903 -7.212 -7.828 492 H SER 72 H SER 72 3.060 -3.783 -6.359 493 HA SER 72 HA SER 72 5.004 -5.178 -4.699 494 HB2 SER 72 1HB SER 72 6.767 -4.532 -6.372 495 HB3 SER 72 2HB SER 72 5.606 -5.689 -6.992 496 HG SER 72 HG SER 72 4.513 -3.982 -8.105 497 H ILE 73 H ILE 73 6.962 -3.609 -4.216 498 HA ILE 73 HA ILE 73 6.049 -0.837 -4.120 499 HB ILE 73 HB ILE 73 6.890 -2.501 -1.749 500 HG12 ILE 73 1HG1 ILE 73 4.388 -0.856 -2.223 501 HG13 ILE 73 2HG1 ILE 73 4.494 -2.588 -2.470 502 HG21 ILE 73 1HG2 ILE 73 7.373 0.295 -2.263 503 HG22 ILE 73 2HG2 ILE 73 6.245 0.100 -0.900 504 HG23 ILE 73 3HG2 ILE 73 7.834 -0.701 -0.862 505 HD11 ILE 73 1HD1 ILE 73 3.696 -1.532 -0.126 506 HD12 ILE 73 2HD1 ILE 73 4.611 -3.057 -0.201 507 HD13 ILE 73 3HD1 ILE 73 5.450 -1.533 0.177 508 H ASN 74 H ASN 74 7.571 0.275 -5.214 509 HA ASN 74 HA ASN 74 9.540 1.131 -5.639 510 HB2 ASN 74 1HB ASN 74 10.093 -0.101 -3.174 511 HB3 ASN 74 2HB ASN 74 11.302 -0.800 -4.232 512 HD21 ASN 74 1HD2 ASN 74 11.173 1.331 -2.015 513 HD22 ASN 74 2HD2 ASN 74 12.111 2.653 -2.625 514 H GLY 75 H GLY 75 8.358 -1.881 -6.317 515 HA2 GLY 75 1HA GLY 75 8.850 -2.753 -8.517 516 HA3 GLY 75 2HA GLY 75 10.555 -2.508 -8.195 517 H ILE 76 H ILE 76 9.160 -3.462 -5.273 518 HA ILE 76 HA ILE 76 9.934 -6.242 -5.796 519 HB ILE 76 HB ILE 76 9.883 -4.664 -3.221 520 HG12 ILE 76 1HG1 ILE 76 11.679 -4.193 -5.042 521 HG13 ILE 76 2HG1 ILE 76 12.170 -4.410 -3.374 522 HG21 ILE 76 1HG2 ILE 76 11.242 -6.768 -2.482 523 HG22 ILE 76 2HG2 ILE 76 9.463 -6.811 -2.492 524 HG23 ILE 76 3HG2 ILE 76 10.378 -7.562 -3.821 525 HD11 ILE 76 1HD1 ILE 76 13.168 -5.827 -5.560 526 HD12 ILE 76 2HD1 ILE 76 13.348 -6.297 -3.853 527 HD13 ILE 76 3HD1 ILE 76 12.019 -6.972 -4.827 528 H ALA 77 H ALA 77 8.367 -7.761 -5.846 529 HA ALA 77 HA ALA 77 5.674 -7.027 -5.471 530 HB1 ALA 77 1HB ALA 77 5.341 -9.535 -5.742 531 HB2 ALA 77 2HB ALA 77 6.245 -8.739 -7.053 532 HB3 ALA 77 3HB ALA 77 7.114 -9.681 -5.817 533 H THR 78 H THR 78 4.235 -7.417 -3.770 534 HA THR 78 HA THR 78 5.510 -7.802 -1.199 535 HB THR 78 HB THR 78 3.216 -7.143 -0.396 536 HG1 THR 78 1HG THR 78 1.679 -6.727 -2.169 537 HG21 THR 78 1HG2 THR 78 3.269 -4.895 -1.134 538 HG22 THR 78 2HG2 THR 78 4.949 -5.403 -1.431 539 HG23 THR 78 3HG2 THR 78 3.785 -5.349 -2.776 540 H GLU 79 H GLU 79 3.413 -9.583 -3.460 541 HA GLU 79 HA GLU 79 2.621 -11.507 -1.601 542 HB2 GLU 79 1HB GLU 79 2.922 -12.045 -4.571 543 HB3 GLU 79 2HB GLU 79 1.720 -12.684 -3.467 544 HG2 GLU 79 1HG GLU 79 1.109 -10.086 -3.160 545 HG3 GLU 79 2HG GLU 79 1.874 -9.946 -4.730 546 H ASP 80 H ASP 80 5.678 -10.807 -2.948 547 HA ASP 80 HA ASP 80 6.514 -13.577 -2.645 548 HB2 ASP 80 1HB ASP 80 7.021 -11.825 -4.696 549 HB3 ASP 80 2HB ASP 80 8.413 -11.506 -3.681 550 H GLY 81 H GLY 81 5.915 -11.778 -0.372 551 HA2 GLY 81 1HA GLY 81 8.416 -11.992 1.040 552 HA3 GLY 81 2HA GLY 81 7.932 -10.337 0.731 553 H THR 82 H THR 82 7.896 -10.405 3.226 554 HA THR 82 HA THR 82 5.317 -11.479 4.156 555 HB THR 82 HB THR 82 6.513 -11.251 6.435 556 HG1 THR 82 1HG THR 82 8.117 -9.754 5.237 557 HG21 THR 82 1HG2 THR 82 8.444 -13.014 5.366 558 HG22 THR 82 2HG2 THR 82 6.863 -13.481 6.039 559 HG23 THR 82 3HG2 THR 82 7.038 -13.201 4.290 560 H MET 83 H MET 83 4.242 -10.160 5.906 561 HA MET 83 HA MET 83 3.476 -7.782 4.925 562 HB2 MET 83 1HB MET 83 2.642 -9.246 6.968 563 HB3 MET 83 2HB MET 83 3.726 -8.261 7.931 564 HG2 MET 83 1HG MET 83 1.452 -7.297 7.968 565 HG3 MET 83 2HG MET 83 2.555 -6.195 7.169 566 HE1 MET 83 1HE MET 83 0.806 -4.850 5.763 567 HE2 MET 83 2HE MET 83 2.320 -5.310 4.946 568 HE3 MET 83 3HE MET 83 0.770 -5.419 4.077 569 H GLU 84 H GLU 84 5.767 -8.142 7.737 570 HA GLU 84 HA GLU 84 6.418 -5.568 8.052 571 HB2 GLU 84 1HB GLU 84 7.393 -8.025 8.956 572 HB3 GLU 84 2HB GLU 84 8.798 -7.308 8.193 573 HG2 GLU 84 1HG GLU 84 7.123 -5.578 10.017 574 HG3 GLU 84 2HG GLU 84 8.178 -6.774 10.745 575 H GLU 85 H GLU 85 8.156 -7.895 5.858 576 HA GLU 85 HA GLU 85 10.036 -6.326 4.852 577 HB2 GLU 85 1HB GLU 85 8.340 -8.503 3.696 578 HB3 GLU 85 2HB GLU 85 9.277 -7.568 2.548 579 HG2 GLU 85 1HG GLU 85 10.887 -8.254 4.905 580 HG3 GLU 85 2HG GLU 85 10.210 -9.693 4.169 581 H ALA 86 H ALA 86 6.557 -6.303 3.879 582 HA ALA 86 HA ALA 86 6.811 -4.470 1.796 583 HB1 ALA 86 1HB ALA 86 4.742 -5.835 3.275 584 HB2 ALA 86 2HB ALA 86 4.290 -4.125 3.073 585 HB3 ALA 86 3HB ALA 86 4.667 -5.120 1.646 586 H ASN 87 H ASN 87 5.928 -3.972 5.288 587 HA ASN 87 HA ASN 87 5.714 -1.244 5.118 588 HB2 ASN 87 1HB ASN 87 6.295 -3.222 7.329 589 HB3 ASN 87 2HB ASN 87 6.539 -1.525 7.687 590 HD21 ASN 87 1HD2 ASN 87 4.232 -3.932 6.567 591 HD22 ASN 87 2HD2 ASN 87 2.781 -3.095 7.006 592 H GLN 88 H GLN 88 8.521 -3.434 5.696 593 HA GLN 88 HA GLN 88 10.314 -1.406 6.386 594 HB2 GLN 88 1HB GLN 88 10.754 -3.724 6.989 595 HB3 GLN 88 2HB GLN 88 10.728 -4.225 5.310 596 HG2 GLN 88 1HG GLN 88 12.981 -3.917 5.311 597 HG3 GLN 88 2HG GLN 88 12.650 -2.196 5.303 598 HE21 GLN 88 1HE2 GLN 88 13.411 -1.017 6.888 599 HE22 GLN 88 2HE2 GLN 88 13.963 -1.572 8.433 600 H LEU 89 H LEU 89 9.475 -3.041 3.280 601 HA LEU 89 HA LEU 89 11.460 -1.963 1.705 602 HB2 LEU 89 1HB LEU 89 8.645 -2.863 1.166 603 HB3 LEU 89 2HB LEU 89 9.641 -2.205 -0.117 604 HG LEU 89 HG LEU 89 10.565 -4.524 1.585 605 HD11 LEU 89 1HD1 LEU 89 9.806 -5.733 -0.711 606 HD12 LEU 89 2HD1 LEU 89 8.798 -5.649 0.754 607 HD13 LEU 89 3HD1 LEU 89 8.539 -4.490 -0.572 608 HD21 LEU 89 1HD2 LEU 89 11.336 -3.884 -1.259 609 HD22 LEU 89 2HD2 LEU 89 12.160 -3.141 0.133 610 HD23 LEU 89 3HD2 LEU 89 12.175 -4.909 -0.070 611 H LEU 90 H LEU 90 8.382 -0.545 2.873 612 HA LEU 90 HA LEU 90 8.515 1.734 1.218 613 HB2 LEU 90 1HB LEU 90 6.905 0.748 3.474 614 HB3 LEU 90 2HB LEU 90 7.041 2.493 3.388 615 HG LEU 90 HG LEU 90 5.888 0.612 1.326 616 HD11 LEU 90 1HD1 LEU 90 4.514 3.070 2.308 617 HD12 LEU 90 2HD1 LEU 90 3.847 1.492 1.826 618 HD13 LEU 90 3HD1 LEU 90 4.636 1.678 3.410 619 HD21 LEU 90 1HD2 LEU 90 6.681 1.948 -0.274 620 HD22 LEU 90 2HD2 LEU 90 5.507 3.151 0.312 621 HD23 LEU 90 3HD2 LEU 90 7.190 3.193 0.891 622 H ARG 91 H ARG 91 9.928 0.827 4.362 623 HA ARG 91 HA ARG 91 10.585 3.368 5.192 624 HB2 ARG 91 1HB ARG 91 10.996 0.717 6.084 625 HB3 ARG 91 2HB ARG 91 12.619 1.347 5.884 626 HG2 ARG 91 1HG ARG 91 11.770 3.441 7.196 627 HG3 ARG 91 2HG ARG 91 10.389 2.455 7.632 628 HD2 ARG 91 1HD ARG 91 11.773 0.840 8.783 629 HD3 ARG 91 2HD ARG 91 13.243 1.484 8.080 630 HE ARG 91 HE ARG 91 11.743 3.448 9.665 631 HH11 ARG 91 2HH2 ARG 91 14.194 0.924 9.747 632 HH12 ARG 91 1HH2 ARG 91 14.933 1.512 11.199 633 HH21 ARG 91 2HH1 ARG 91 12.717 4.223 11.581 634 HH22 ARG 91 1HH1 ARG 91 14.087 3.401 12.249 635 H ASP 92 H ASP 92 12.874 0.874 3.830 636 HA ASP 92 HA ASP 92 15.007 2.395 3.447 637 HB2 ASP 92 1HB ASP 92 14.546 -0.090 2.811 638 HB3 ASP 92 2HB ASP 92 14.020 0.524 1.256 639 H ALA 93 H ALA 93 12.052 2.202 1.385 640 HA ALA 93 HA ALA 93 12.978 3.700 -0.772 641 HB1 ALA 93 1HB ALA 93 10.119 3.829 0.169 642 HB2 ALA 93 2HB ALA 93 10.762 3.638 -1.480 643 HB3 ALA 93 3HB ALA 93 10.798 2.266 -0.346 644 H ALA 94 H ALA 94 11.305 4.672 2.289 645 HA ALA 94 HA ALA 94 11.062 7.367 1.695 646 HB1 ALA 94 1HB ALA 94 9.857 6.569 3.546 647 HB2 ALA 94 2HB ALA 94 11.274 5.740 4.234 648 HB3 ALA 94 3HB ALA 94 11.162 7.515 4.301 649 H LEU 95 H LEU 95 13.778 5.488 3.154 650 HA LEU 95 HA LEU 95 15.366 7.723 3.730 651 HB2 LEU 95 1HB LEU 95 16.293 4.918 3.114 652 HB3 LEU 95 2HB LEU 95 17.140 6.141 4.040 653 HG LEU 95 HG LEU 95 14.486 4.961 4.890 654 HD11 LEU 95 1HD1 LEU 95 16.468 3.976 6.590 655 HD12 LEU 95 2HD1 LEU 95 15.550 3.069 5.364 656 HD13 LEU 95 3HD1 LEU 95 17.132 3.773 4.951 657 HD21 LEU 95 1HD2 LEU 95 14.519 6.596 6.392 658 HD22 LEU 95 2HD2 LEU 95 15.963 5.837 7.105 659 HD23 LEU 95 3HD2 LEU 95 16.142 7.115 5.878 660 H ALA 96 H ALA 96 14.383 6.309 0.745 661 HA ALA 96 HA ALA 96 16.735 7.348 -0.641 662 HB1 ALA 96 1HB ALA 96 15.076 6.223 -2.538 663 HB2 ALA 96 2HB ALA 96 16.389 5.371 -1.692 664 HB3 ALA 96 3HB ALA 96 14.716 5.242 -1.097 665 H HIS 97 H HIS 97 13.692 8.356 0.466 666 HA HIS 97 HA HIS 97 12.443 10.111 0.057 667 HB2 HIS 97 1HB HIS 97 14.838 10.998 -1.568 668 HB3 HIS 97 2HB HIS 97 13.436 12.012 -1.287 669 HD1 HIS 97 1HD HIS 97 14.219 13.740 0.350 670 HD2 HIS 97 2HD HIS 97 15.414 9.868 1.436 671 HE1 HIS 97 1HE HIS 97 15.339 13.951 2.632 672 H LYS 98 H LYS 98 12.612 7.634 -1.788 673 HA LYS 98 HA LYS 98 10.684 8.642 -3.670 674 HB2 LYS 98 1HB LYS 98 13.125 8.894 -4.629 675 HB3 LYS 98 2HB LYS 98 12.997 7.166 -4.892 676 HG2 LYS 98 1HG LYS 98 10.555 7.999 -5.859 677 HG3 LYS 98 2HG LYS 98 11.537 9.403 -6.228 678 HD2 LYS 98 1HD LYS 98 11.975 8.174 -8.140 679 HD3 LYS 98 2HD LYS 98 13.253 7.533 -7.126 680 HE2 LYS 98 1HE LYS 98 10.917 5.993 -6.525 681 HE3 LYS 98 2HE LYS 98 10.964 6.144 -8.271 682 HZ1 LYS 98 1HZ LYS 98 12.377 4.445 -8.045 683 HZ2 LYS 98 2HZ LYS 98 13.490 5.607 -7.767 684 HZ3 LYS 98 3HZ LYS 98 12.808 4.813 -6.514 685 H VAL 99 H VAL 99 9.383 6.929 -4.578 686 HA VAL 99 HA VAL 99 9.984 4.222 -3.924 687 HB VAL 99 HB VAL 99 9.210 5.223 -1.744 688 HG11 VAL 99 1HG1 VAL 99 6.420 5.148 -2.876 689 HG12 VAL 99 2HG1 VAL 99 7.024 5.944 -1.403 690 HG13 VAL 99 3HG1 VAL 99 7.406 6.625 -3.003 691 HG21 VAL 99 1HG2 VAL 99 7.470 3.009 -2.881 692 HG22 VAL 99 2HG2 VAL 99 9.127 2.798 -2.263 693 HG23 VAL 99 3HG2 VAL 99 7.825 3.313 -1.163 694 H VAL 100 H VAL 100 8.623 2.769 -5.082 695 HA VAL 100 HA VAL 100 6.800 4.145 -6.932 696 HB VAL 100 HB VAL 100 8.826 1.973 -7.301 697 HG11 VAL 100 1HG1 VAL 100 7.458 1.901 -9.673 698 HG12 VAL 100 2HG1 VAL 100 7.302 0.701 -8.368 699 HG13 VAL 100 3HG1 VAL 100 6.129 2.034 -8.496 700 HG21 VAL 100 1HG2 VAL 100 9.016 4.539 -7.880 701 HG22 VAL 100 2HG2 VAL 100 9.666 3.306 -8.987 702 HG23 VAL 100 3HG2 VAL 100 8.091 4.065 -9.325 703 H LEU 101 H LEU 101 4.690 3.589 -6.764 704 HA LEU 101 HA LEU 101 4.116 1.097 -5.320 705 HB2 LEU 101 1HB LEU 101 2.196 3.386 -5.569 706 HB3 LEU 101 2HB LEU 101 2.225 2.085 -4.395 707 HG LEU 101 HG LEU 101 2.844 4.122 -3.301 708 HD11 LEU 101 1HD1 LEU 101 4.729 3.411 -2.163 709 HD12 LEU 101 2HD1 LEU 101 4.129 1.900 -2.886 710 HD13 LEU 101 3HD1 LEU 101 5.502 2.757 -3.627 711 HD21 LEU 101 1HD2 LEU 101 3.746 5.062 -5.613 712 HD22 LEU 101 2HD2 LEU 101 4.293 5.714 -4.050 713 HD23 LEU 101 3HD2 LEU 101 5.307 4.546 -4.931 714 H GLU 102 H GLU 102 2.997 -0.488 -6.361 715 HA GLU 102 HA GLU 102 1.898 0.278 -8.954 716 HB2 GLU 102 1HB GLU 102 3.817 -1.151 -9.307 717 HB3 GLU 102 2HB GLU 102 3.286 -2.286 -8.082 718 HG2 GLU 102 1HG GLU 102 1.755 -3.298 -9.478 719 HG3 GLU 102 2HG GLU 102 1.301 -1.792 -10.251 720 H VAL 103 H VAL 103 -0.305 0.326 -8.852 721 HA VAL 103 HA VAL 103 -1.611 -1.466 -6.954 722 HB VAL 103 HB VAL 103 -3.049 0.604 -8.551 723 HG11 VAL 103 1HG1 VAL 103 -3.317 0.155 -5.596 724 HG12 VAL 103 2HG1 VAL 103 -4.547 0.618 -6.797 725 HG13 VAL 103 3HG1 VAL 103 -3.964 -1.062 -6.722 726 HG21 VAL 103 1HG2 VAL 103 -2.408 2.290 -6.749 727 HG22 VAL 103 2HG2 VAL 103 -1.072 1.190 -6.334 728 HG23 VAL 103 3HG2 VAL 103 -1.160 1.910 -7.960 729 H GLU 104 H GLU 104 -3.517 -2.713 -7.653 730 HA GLU 104 HA GLU 104 -3.245 -3.434 -10.467 731 HB2 GLU 104 1HB GLU 104 -2.612 -5.157 -8.645 732 HB3 GLU 104 2HB GLU 104 -4.323 -5.244 -8.273 733 HG2 GLU 104 1HG GLU 104 -4.709 -5.727 -10.783 734 HG3 GLU 104 2HG GLU 104 -2.974 -5.925 -10.920 735 H PHE 105 H PHE 105 -5.134 -3.625 -11.741 736 HA PHE 105 HA PHE 105 -7.709 -3.747 -10.733 737 HB2 PHE 105 1HB PHE 105 -8.367 -1.334 -11.180 738 HB3 PHE 105 2HB PHE 105 -7.222 -1.466 -9.861 739 HD1 PHE 105 2HD PHE 105 -7.324 -0.891 -13.543 740 HD2 PHE 105 1HD PHE 105 -5.317 -0.146 -9.879 741 HE1 PHE 105 2HE PHE 105 -5.794 0.722 -14.709 742 HE2 PHE 105 1HE PHE 105 -3.787 1.467 -11.045 743 HZ PHE 105 HZ PHE 105 -4.044 1.881 -13.446 744 H ASP 106 H ASP 106 -9.345 -2.822 -12.551 745 HA ASP 106 HA ASP 106 -8.087 -3.529 -15.086 746 HB2 ASP 106 1HB ASP 106 -10.566 -4.145 -15.691 747 HB3 ASP 106 2HB ASP 106 -9.630 -5.261 -14.716 748 H SER 107 H SER 107 -7.743 -1.449 -15.988 749 HA SER 107 HA SER 107 -9.507 0.672 -15.520 750 HB2 SER 107 1HB SER 107 -7.246 1.227 -16.035 751 HB3 SER 107 2HB SER 107 -7.218 0.198 -17.453 752 HG SER 107 HG SER 107 -8.373 1.685 -18.628 753 H GLY 108 H GLY 108 -11.610 -0.306 -16.097 754 HA2 GLY 108 1HA GLY 108 -12.231 0.115 -18.904 755 HA3 GLY 108 2HA GLY 108 -12.433 -1.527 -18.326 756 HA PRO 109 HA PRO 109 -16.341 0.353 -17.277 757 HB2 PRO 109 1HB PRO 109 -17.880 -1.860 -17.726 758 HB3 PRO 109 2HB PRO 109 -17.534 -0.666 -18.962 759 HG2 PRO 109 1HG PRO 109 -16.404 -3.379 -18.637 760 HG3 PRO 109 2HG PRO 109 -16.405 -2.353 -20.058 761 HD2 PRO 109 1HD PRO 109 -14.196 -2.838 -18.293 762 HD3 PRO 109 2HD PRO 109 -14.232 -1.724 -19.645 763 H SER 110 H SER 110 -17.972 0.054 -15.583 764 HA SER 110 HA SER 110 -17.067 -1.915 -13.660 765 HB2 SER 110 1HB SER 110 -16.927 -0.358 -11.850 766 HB3 SER 110 2HB SER 110 -16.015 0.360 -13.163 767 HG SER 110 HG SER 110 -18.259 1.313 -11.874 768 H SER 111 H SER 111 -18.771 -1.863 -11.686 769 HA SER 111 HA SER 111 -21.360 -0.987 -12.480 770 HB2 SER 111 1HB SER 111 -20.598 -3.553 -13.325 771 HB3 SER 111 2HB SER 111 -21.514 -3.863 -11.863 772 HG SER 111 HG SER 111 -23.347 -3.053 -12.764 773 H GLY 112 H GLY 112 -19.608 -3.375 -10.358 774 HA2 GLY 112 1HA GLY 112 -19.665 -2.110 -7.992 775 HA3 GLY 112 2HA GLY 112 -21.306 -2.716 -8.104 Start of MODEL 14 1 H1 GLY 1 H GLY 1 12.058 -24.254 -15.060 2 HA2 GLY 1 1HA GLY 1 14.202 -23.499 -16.956 3 HA3 GLY 1 2HA GLY 1 14.476 -24.308 -15.426 4 H SER 2 H SER 2 15.588 -25.947 -16.856 5 HA SER 2 HA SER 2 15.657 -27.944 -17.703 6 HB2 SER 2 1HB SER 2 13.375 -28.045 -16.083 7 HB3 SER 2 2HB SER 2 12.803 -28.682 -17.612 8 HG SER 2 HG SER 2 13.756 -30.512 -17.072 9 H SER 3 H SER 3 14.820 -29.339 -19.640 10 HA SER 3 HA SER 3 14.328 -27.518 -21.758 11 HB2 SER 3 1HB SER 3 14.742 -30.524 -21.597 12 HB3 SER 3 2HB SER 3 14.335 -29.744 -23.112 13 HG SER 3 HG SER 3 16.430 -28.496 -21.711 14 H GLY 4 H GLY 4 12.312 -26.860 -22.399 15 HA2 GLY 4 1HA GLY 4 10.188 -28.668 -22.848 16 HA3 GLY 4 2HA GLY 4 9.937 -27.842 -21.323 17 H SER 5 H SER 5 8.427 -27.627 -23.913 18 HA SER 5 HA SER 5 9.133 -25.178 -25.087 19 HB2 SER 5 1HB SER 5 6.784 -27.056 -25.219 20 HB3 SER 5 2HB SER 5 6.565 -25.435 -25.847 21 HG SER 5 HG SER 5 8.705 -25.926 -27.041 22 H SER 6 H SER 6 9.238 -23.438 -23.638 23 HA SER 6 HA SER 6 6.681 -22.707 -22.489 24 HB2 SER 6 1HB SER 6 7.627 -22.184 -20.327 25 HB3 SER 6 2HB SER 6 8.072 -23.835 -20.711 26 HG SER 6 HG SER 6 10.122 -22.717 -21.649 27 H GLY 7 H GLY 7 6.394 -20.392 -22.282 28 HA2 GLY 7 1HA GLY 7 8.606 -18.707 -23.217 29 HA3 GLY 7 2HA GLY 7 7.116 -18.712 -24.139 30 H GLY 8 H GLY 8 8.577 -17.989 -20.945 31 HA2 GLY 8 1HA GLY 8 6.146 -16.495 -20.199 32 HA3 GLY 8 2HA GLY 8 7.374 -17.093 -19.101 33 H GLY 9 H GLY 9 6.431 -14.511 -21.302 34 HA2 GLY 9 1HA GLY 9 8.855 -13.010 -20.509 35 HA3 GLY 9 2HA GLY 9 8.152 -12.915 -22.111 36 H GLN 10 H GLN 10 6.193 -11.747 -22.471 37 HA GLN 10 HA GLN 10 5.513 -10.046 -20.211 38 HB2 GLN 10 1HB GLN 10 5.460 -9.660 -23.208 39 HB3 GLN 10 2HB GLN 10 4.396 -8.694 -22.207 40 HG2 GLN 10 1HG GLN 10 6.224 -7.301 -22.095 41 HG3 GLN 10 2HG GLN 10 6.694 -8.372 -20.790 42 HE21 GLN 10 1HE2 GLN 10 7.247 -7.365 -24.051 43 HE22 GLN 10 2HE2 GLN 10 8.713 -8.239 -24.352 44 H ILE 11 H ILE 11 3.820 -10.965 -19.096 45 HA ILE 11 HA ILE 11 1.686 -12.186 -20.675 46 HB ILE 11 HB ILE 11 2.387 -12.341 -17.742 47 HG12 ILE 11 1HG1 ILE 11 2.317 -14.827 -19.255 48 HG13 ILE 11 2HG1 ILE 11 3.456 -13.691 -19.951 49 HG21 ILE 11 1HG2 ILE 11 0.520 -14.342 -18.445 50 HG22 ILE 11 2HG2 ILE 11 0.301 -12.970 -17.332 51 HG23 ILE 11 3HG2 ILE 11 -0.129 -12.799 -19.051 52 HD11 ILE 11 1HD1 ILE 11 4.040 -15.323 -17.833 53 HD12 ILE 11 2HD1 ILE 11 4.862 -13.774 -18.138 54 HD13 ILE 11 3HD1 ILE 11 3.517 -13.854 -16.974 55 H VAL 12 H VAL 12 -0.336 -11.298 -20.827 56 HA VAL 12 HA VAL 12 -0.635 -8.677 -19.583 57 HB VAL 12 HB VAL 12 -0.880 -9.056 -22.057 58 HG11 VAL 12 1HG1 VAL 12 -3.534 -10.320 -21.309 59 HG12 VAL 12 2HG1 VAL 12 -2.859 -10.085 -22.939 60 HG13 VAL 12 3HG1 VAL 12 -2.102 -11.245 -21.821 61 HG21 VAL 12 1HG2 VAL 12 -2.317 -7.407 -20.295 62 HG22 VAL 12 2HG2 VAL 12 -2.070 -7.166 -22.041 63 HG23 VAL 12 3HG2 VAL 12 -3.520 -8.016 -21.456 64 H HIS 13 H HIS 13 -1.638 -8.602 -17.644 65 HA HIS 13 HA HIS 13 -4.093 -10.068 -17.344 66 HB2 HIS 13 1HB HIS 13 -1.899 -11.410 -16.536 67 HB3 HIS 13 2HB HIS 13 -2.199 -10.475 -15.085 68 HD1 HIS 13 1HD HIS 13 -3.267 -12.094 -13.499 69 HD2 HIS 13 2HD HIS 13 -4.929 -12.307 -17.344 70 HE1 HIS 13 1HE HIS 13 -5.223 -13.726 -13.343 71 H THR 14 H THR 14 -5.453 -8.457 -16.752 72 HA THR 14 HA THR 14 -6.228 -6.602 -15.795 73 HB THR 14 HB THR 14 -4.342 -7.165 -13.470 74 HG1 THR 14 1HG THR 14 -6.152 -8.794 -13.012 75 HG21 THR 14 1HG2 THR 14 -5.943 -5.386 -13.019 76 HG22 THR 14 2HG2 THR 14 -7.261 -6.306 -13.783 77 HG23 THR 14 3HG2 THR 14 -6.576 -6.853 -12.234 78 H GLU 15 H GLU 15 -5.658 -4.383 -14.810 79 HA GLU 15 HA GLU 15 -3.418 -3.455 -16.369 80 HB2 GLU 15 1HB GLU 15 -5.796 -2.133 -15.043 81 HB3 GLU 15 2HB GLU 15 -4.420 -1.160 -15.523 82 HG2 GLU 15 1HG GLU 15 -6.283 -1.379 -17.269 83 HG3 GLU 15 2HG GLU 15 -4.666 -1.740 -17.839 84 H THR 16 H THR 16 -2.165 -1.485 -15.266 85 HA THR 16 HA THR 16 -1.830 -1.774 -12.420 86 HB THR 16 HB THR 16 0.708 -2.279 -12.856 87 HG1 THR 16 1HG THR 16 1.100 -2.927 -14.970 88 HG21 THR 16 1HG2 THR 16 -0.940 -4.627 -13.787 89 HG22 THR 16 2HG2 THR 16 0.351 -4.572 -12.562 90 HG23 THR 16 3HG2 THR 16 -1.281 -3.984 -12.163 91 H THR 17 H THR 17 -0.950 0.038 -11.467 92 HA THR 17 HA THR 17 -0.056 2.123 -13.343 93 HB THR 17 HB THR 17 -2.506 2.277 -12.402 94 HG1 THR 17 1HG THR 17 -2.078 4.581 -12.308 95 HG21 THR 17 1HG2 THR 17 -2.562 3.491 -10.198 96 HG22 THR 17 2HG2 THR 17 -2.007 1.810 -10.011 97 HG23 THR 17 3HG2 THR 17 -0.829 3.144 -9.988 98 H GLU 18 H GLU 18 1.720 3.301 -12.765 99 HA GLU 18 HA GLU 18 3.055 2.290 -10.405 100 HB2 GLU 18 1HB GLU 18 4.201 2.309 -12.664 101 HB3 GLU 18 2HB GLU 18 4.160 4.060 -12.629 102 HG2 GLU 18 1HG GLU 18 5.535 4.110 -10.591 103 HG3 GLU 18 2HG GLU 18 5.459 2.365 -10.446 104 H VAL 19 H VAL 19 3.002 3.445 -8.529 105 HA VAL 19 HA VAL 19 2.440 6.318 -8.770 106 HB VAL 19 HB VAL 19 1.783 4.293 -6.628 107 HG11 VAL 19 1HG1 VAL 19 2.071 7.229 -6.460 108 HG12 VAL 19 2HG1 VAL 19 0.535 6.589 -5.828 109 HG13 VAL 19 3HG1 VAL 19 2.082 5.996 -5.177 110 HG21 VAL 19 1HG2 VAL 19 -0.458 5.847 -7.405 111 HG22 VAL 19 2HG2 VAL 19 0.363 5.340 -8.900 112 HG23 VAL 19 3HG2 VAL 19 -0.156 4.120 -7.713 113 H VAL 20 H VAL 20 4.149 7.618 -8.384 114 HA VAL 20 HA VAL 20 6.336 6.492 -6.792 115 HB VAL 20 HB VAL 20 6.226 8.729 -8.821 116 HG11 VAL 20 1HG1 VAL 20 8.305 9.420 -8.264 117 HG12 VAL 20 2HG1 VAL 20 7.910 8.708 -6.680 118 HG13 VAL 20 3HG1 VAL 20 8.859 7.777 -7.864 119 HG21 VAL 20 1HG2 VAL 20 7.088 5.866 -8.881 120 HG22 VAL 20 2HG2 VAL 20 6.283 6.848 -10.129 121 HG23 VAL 20 3HG2 VAL 20 8.027 7.045 -9.828 122 H LEU 21 H LEU 21 6.016 6.964 -4.661 123 HA LEU 21 HA LEU 21 4.955 9.608 -4.022 124 HB2 LEU 21 1HB LEU 21 5.251 7.066 -2.425 125 HB3 LEU 21 2HB LEU 21 4.782 8.598 -1.714 126 HG LEU 21 HG LEU 21 3.265 6.999 -3.789 127 HD11 LEU 21 1HD1 LEU 21 1.538 6.855 -2.065 128 HD12 LEU 21 2HD1 LEU 21 3.079 6.169 -1.495 129 HD13 LEU 21 3HD1 LEU 21 2.565 7.782 -0.945 130 HD21 LEU 21 1HD2 LEU 21 2.705 9.782 -2.735 131 HD22 LEU 21 2HD2 LEU 21 3.011 9.294 -4.420 132 HD23 LEU 21 3HD2 LEU 21 1.518 8.776 -3.600 133 H CYS 22 H CYS 22 6.092 11.106 -2.754 134 HA CYS 22 HA CYS 22 8.852 10.346 -2.154 135 HB2 CYS 22 1HB CYS 22 9.236 12.930 -2.749 136 HB3 CYS 22 2HB CYS 22 9.411 11.648 -3.930 137 HG CYS 22 HG CYS 22 8.026 13.956 -4.656 138 H GLY 23 H GLY 23 9.051 10.488 0.054 139 HA2 GLY 23 1HA GLY 23 7.889 12.822 1.400 140 HA3 GLY 23 2HA GLY 23 7.426 11.224 1.951 141 H ASP 24 H ASP 24 8.606 12.648 3.868 142 HA ASP 24 HA ASP 24 11.437 12.406 3.751 143 HB2 ASP 24 1HB ASP 24 9.383 13.489 5.625 144 HB3 ASP 24 2HB ASP 24 10.828 12.880 6.407 145 HA PRO 25 HA PRO 25 11.671 8.541 5.812 146 HB2 PRO 25 1HB PRO 25 13.922 8.756 7.347 147 HB3 PRO 25 2HB PRO 25 13.964 8.445 5.623 148 HG2 PRO 25 1HG PRO 25 14.567 10.952 7.069 149 HG3 PRO 25 2HG PRO 25 15.002 10.496 5.433 150 HD2 PRO 25 1HD PRO 25 12.911 12.298 6.215 151 HD3 PRO 25 2HD PRO 25 13.271 11.753 4.589 152 H LEU 26 H LEU 26 11.345 11.355 7.694 153 HA LEU 26 HA LEU 26 10.909 9.866 10.122 154 HB2 LEU 26 1HB LEU 26 11.245 12.667 9.315 155 HB3 LEU 26 2HB LEU 26 10.047 12.432 10.573 156 HG LEU 26 HG LEU 26 12.866 11.342 10.746 157 HD11 LEU 26 1HD1 LEU 26 11.767 14.037 11.486 158 HD12 LEU 26 2HD1 LEU 26 13.090 13.313 12.431 159 HD13 LEU 26 3HD1 LEU 26 13.301 13.611 10.689 160 HD21 LEU 26 1HD2 LEU 26 11.718 10.135 12.309 161 HD22 LEU 26 2HD2 LEU 26 12.134 11.567 13.280 162 HD23 LEU 26 3HD2 LEU 26 10.506 11.411 12.576 163 H SER 27 H SER 27 8.950 11.851 7.803 164 HA SER 27 HA SER 27 6.561 11.030 9.125 165 HB2 SER 27 1HB SER 27 7.257 13.222 7.614 166 HB3 SER 27 2HB SER 27 6.381 12.279 6.425 167 HG SER 27 HG SER 27 4.522 12.323 7.698 168 H GLY 28 H GLY 28 8.668 9.794 6.671 169 HA2 GLY 28 1HA GLY 28 8.554 7.847 5.523 170 HA3 GLY 28 2HA GLY 28 6.974 7.531 6.212 171 H PHE 29 H PHE 29 5.376 7.380 4.709 172 HA PHE 29 HA PHE 29 5.495 9.260 2.464 173 HB2 PHE 29 1HB PHE 29 5.014 6.237 2.599 174 HB3 PHE 29 2HB PHE 29 4.400 7.164 1.244 175 HD1 PHE 29 2HD PHE 29 6.397 8.925 0.391 176 HD2 PHE 29 1HD PHE 29 6.923 5.072 2.090 177 HE1 PHE 29 2HE PHE 29 8.622 8.723 -0.754 178 HE2 PHE 29 1HE PHE 29 9.148 4.871 0.945 179 HZ PHE 29 HZ PHE 29 9.971 6.699 -0.463 180 H GLY 30 H GLY 30 3.914 8.482 5.223 181 HA2 GLY 30 1HA GLY 30 1.826 8.778 5.996 182 HA3 GLY 30 2HA GLY 30 1.579 9.858 4.638 183 H LEU 31 H LEU 31 2.018 6.265 5.060 184 HA LEU 31 HA LEU 31 -0.600 5.856 3.898 185 HB2 LEU 31 1HB LEU 31 -0.012 4.975 1.936 186 HB3 LEU 31 2HB LEU 31 1.396 6.000 2.131 187 HG LEU 31 HG LEU 31 2.275 3.749 3.375 188 HD11 LEU 31 1HD1 LEU 31 1.505 1.779 2.463 189 HD12 LEU 31 2HD1 LEU 31 0.000 2.721 2.594 190 HD13 LEU 31 3HD1 LEU 31 0.827 2.578 1.024 191 HD21 LEU 31 1HD2 LEU 31 3.635 4.829 1.800 192 HD22 LEU 31 2HD2 LEU 31 3.353 3.210 1.118 193 HD23 LEU 31 3HD2 LEU 31 2.451 4.610 0.489 194 H GLN 32 H GLN 32 -1.428 3.709 4.320 195 HA GLN 32 HA GLN 32 0.250 2.202 6.159 196 HB2 GLN 32 1HB GLN 32 -2.452 3.384 6.644 197 HB3 GLN 32 2HB GLN 32 -2.230 1.742 7.213 198 HG2 GLN 32 1HG GLN 32 0.010 3.627 7.832 199 HG3 GLN 32 2HG GLN 32 -1.505 3.967 8.646 200 HE21 GLN 32 1HE2 GLN 32 -2.180 2.735 10.288 201 HE22 GLN 32 2HE2 GLN 32 -1.356 1.347 10.914 202 H LEU 33 H LEU 33 0.320 0.020 5.713 203 HA LEU 33 HA LEU 33 -1.417 -0.885 3.552 204 HB2 LEU 33 1HB LEU 33 1.083 -2.096 4.741 205 HB3 LEU 33 2HB LEU 33 0.178 -2.752 3.392 206 HG LEU 33 HG LEU 33 1.521 -0.036 3.392 207 HD11 LEU 33 1HD1 LEU 33 2.875 -1.589 1.574 208 HD12 LEU 33 2HD1 LEU 33 3.426 -1.192 3.220 209 HD13 LEU 33 3HD1 LEU 33 2.580 -2.727 2.910 210 HD21 LEU 33 1HD2 LEU 33 1.207 -0.299 0.883 211 HD22 LEU 33 2HD2 LEU 33 0.072 -1.615 1.264 212 HD23 LEU 33 3HD2 LEU 33 -0.254 0.036 1.843 213 H GLN 34 H GLN 34 -2.428 -3.053 3.708 214 HA GLN 34 HA GLN 34 -2.884 -3.826 6.473 215 HB2 GLN 34 1HB GLN 34 -4.884 -2.678 6.161 216 HB3 GLN 34 2HB GLN 34 -4.916 -2.969 4.433 217 HG2 GLN 34 1HG GLN 34 -5.760 -5.172 4.680 218 HG3 GLN 34 2HG GLN 34 -5.197 -5.312 6.334 219 HE21 GLN 34 1HE2 GLN 34 -7.567 -3.871 4.195 220 HE22 GLN 34 2HE2 GLN 34 -8.772 -3.495 5.381 221 H GLY 35 H GLY 35 -2.216 -5.916 6.666 222 HA2 GLY 35 1HA GLY 35 -3.040 -7.836 4.620 223 HA3 GLY 35 2HA GLY 35 -1.320 -7.642 4.895 224 H GLY 36 H GLY 36 -1.257 -9.896 5.633 225 HA2 GLY 36 1HA GLY 36 -2.752 -11.042 7.618 226 HA3 GLY 36 2HA GLY 36 -1.069 -11.403 7.294 227 H ILE 37 H ILE 37 -2.102 -11.554 9.912 228 HA ILE 37 HA ILE 37 -1.475 -9.084 11.254 229 HB ILE 37 HB ILE 37 -2.340 -11.817 12.184 230 HG12 ILE 37 1HG1 ILE 37 -4.216 -9.982 12.992 231 HG13 ILE 37 2HG1 ILE 37 -3.699 -9.302 11.462 232 HG21 ILE 37 1HG2 ILE 37 -0.948 -9.820 13.685 233 HG22 ILE 37 2HG2 ILE 37 -2.631 -9.904 14.259 234 HG23 ILE 37 3HG2 ILE 37 -1.626 -11.372 14.233 235 HD11 ILE 37 1HD1 ILE 37 -5.532 -10.835 11.019 236 HD12 ILE 37 2HD1 ILE 37 -4.040 -11.583 10.399 237 HD13 ILE 37 3HD1 ILE 37 -4.735 -12.130 11.944 238 H PHE 38 H PHE 38 -0.099 -12.422 10.975 239 HA PHE 38 HA PHE 38 2.145 -11.788 12.581 240 HB2 PHE 38 1HB PHE 38 1.194 -13.967 10.681 241 HB3 PHE 38 2HB PHE 38 2.885 -13.981 11.140 242 HD1 PHE 38 1HD PHE 38 -0.518 -13.861 12.655 243 HD2 PHE 38 2HD PHE 38 3.526 -15.071 13.086 244 HE1 PHE 38 1HE PHE 38 -1.105 -15.066 14.777 245 HE2 PHE 38 2HE PHE 38 2.940 -16.275 15.208 246 HZ PHE 38 HZ PHE 38 0.631 -16.258 16.029 247 H ALA 39 H ALA 39 3.309 -9.998 11.827 248 HA ALA 39 HA ALA 39 3.819 -9.337 9.229 249 HB1 ALA 39 1HB ALA 39 5.761 -9.033 11.550 250 HB2 ALA 39 2HB ALA 39 5.609 -7.986 10.118 251 HB3 ALA 39 3HB ALA 39 4.311 -8.024 11.335 252 H THR 40 H THR 40 5.458 -11.748 11.326 253 HA THR 40 HA THR 40 7.423 -12.305 9.272 254 HB THR 40 HB THR 40 8.217 -13.937 11.025 255 HG1 THR 40 1HG THR 40 6.094 -14.417 11.899 256 HG21 THR 40 1HG2 THR 40 8.195 -12.126 13.019 257 HG22 THR 40 2HG2 THR 40 9.215 -11.885 11.580 258 HG23 THR 40 3HG2 THR 40 7.649 -11.048 11.712 259 H GLU 41 H GLU 41 5.790 -12.790 7.586 260 HA GLU 41 HA GLU 41 5.620 -15.515 7.243 261 HB2 GLU 41 1HB GLU 41 3.342 -14.340 8.703 262 HB3 GLU 41 2HB GLU 41 2.843 -15.184 7.251 263 HG2 GLU 41 1HG GLU 41 4.894 -16.649 8.818 264 HG3 GLU 41 2HG GLU 41 3.403 -16.385 9.700 265 H THR 42 H THR 42 5.483 -15.842 5.044 266 HA THR 42 HA THR 42 5.528 -13.799 3.250 267 HB THR 42 HB THR 42 4.580 -16.698 3.013 268 HG1 THR 42 1HG THR 42 6.827 -16.126 3.666 269 HG21 THR 42 1HG2 THR 42 5.459 -14.758 0.809 270 HG22 THR 42 2HG2 THR 42 5.100 -16.488 0.598 271 HG23 THR 42 3HG2 THR 42 3.796 -15.355 1.024 272 H LEU 43 H LEU 43 3.986 -13.122 1.550 273 HA LEU 43 HA LEU 43 1.319 -12.868 2.750 274 HB2 LEU 43 1HB LEU 43 2.995 -11.028 1.071 275 HB3 LEU 43 2HB LEU 43 1.251 -10.862 1.108 276 HG LEU 43 HG LEU 43 3.084 -10.709 3.518 277 HD11 LEU 43 1HD1 LEU 43 1.983 -8.660 1.657 278 HD12 LEU 43 2HD1 LEU 43 2.019 -8.267 3.393 279 HD13 LEU 43 3HD1 LEU 43 3.524 -8.702 2.548 280 HD21 LEU 43 1HD2 LEU 43 1.303 -10.947 4.814 281 HD22 LEU 43 2HD2 LEU 43 0.485 -9.604 3.981 282 HD23 LEU 43 3HD2 LEU 43 0.307 -11.267 3.374 283 H SER 44 H SER 44 -0.203 -14.131 1.841 284 HA SER 44 HA SER 44 0.332 -15.366 -0.649 285 HB2 SER 44 1HB SER 44 -1.793 -15.495 1.453 286 HB3 SER 44 2HB SER 44 -2.287 -15.969 -0.161 287 HG SER 44 HG SER 44 -1.119 -17.771 -0.027 288 H SER 45 H SER 45 -1.283 -12.455 0.465 289 HA SER 45 HA SER 45 -2.135 -12.001 -2.277 290 HB2 SER 45 1HB SER 45 -3.805 -11.996 0.188 291 HB3 SER 45 2HB SER 45 -4.034 -10.602 -0.849 292 HG SER 45 HG SER 45 -4.277 -12.226 -2.657 293 HA PRO 46 HA PRO 46 -0.367 -8.076 -1.637 294 HB2 PRO 46 1HB PRO 46 -1.885 -6.402 -3.174 295 HB3 PRO 46 2HB PRO 46 -0.652 -7.456 -3.836 296 HG2 PRO 46 1HG PRO 46 -3.592 -7.752 -3.933 297 HG3 PRO 46 2HG PRO 46 -2.377 -8.534 -4.924 298 HD2 PRO 46 1HD PRO 46 -3.823 -9.704 -2.741 299 HD3 PRO 46 2HD PRO 46 -2.527 -10.446 -3.658 300 HA PRO 47 HA PRO 47 -2.318 -6.133 1.607 301 HB2 PRO 47 1HB PRO 47 -0.471 -4.202 2.180 302 HB3 PRO 47 2HB PRO 47 -0.342 -5.852 2.756 303 HG2 PRO 47 1HG PRO 47 1.168 -4.522 0.591 304 HG3 PRO 47 2HG PRO 47 1.557 -5.995 1.456 305 HD2 PRO 47 1HD PRO 47 0.483 -5.796 -1.196 306 HD3 PRO 47 2HD PRO 47 0.764 -7.268 -0.286 307 H LEU 48 H LEU 48 -3.825 -4.571 2.025 308 HA LEU 48 HA LEU 48 -4.119 -2.731 -0.221 309 HB2 LEU 48 1HB LEU 48 -6.102 -3.269 1.981 310 HB3 LEU 48 2HB LEU 48 -6.388 -2.522 0.422 311 HG LEU 48 HG LEU 48 -5.357 -5.319 0.403 312 HD11 LEU 48 1HD1 LEU 48 -7.002 -5.374 2.229 313 HD12 LEU 48 2HD1 LEU 48 -8.226 -4.678 1.140 314 HD13 LEU 48 3HD1 LEU 48 -7.549 -6.290 0.804 315 HD21 LEU 48 1HD2 LEU 48 -6.233 -3.590 -1.518 316 HD22 LEU 48 2HD2 LEU 48 -6.188 -5.362 -1.680 317 HD23 LEU 48 3HD2 LEU 48 -7.700 -4.550 -1.207 318 H VAL 49 H VAL 49 -5.097 -0.490 0.491 319 HA VAL 49 HA VAL 49 -3.143 0.624 2.291 320 HB VAL 49 HB VAL 49 -5.285 1.748 0.491 321 HG11 VAL 49 1HG1 VAL 49 -3.336 3.397 2.127 322 HG12 VAL 49 2HG1 VAL 49 -4.676 3.973 1.105 323 HG13 VAL 49 3HG1 VAL 49 -5.022 3.098 2.616 324 HG21 VAL 49 1HG2 VAL 49 -3.242 2.776 -0.609 325 HG22 VAL 49 2HG2 VAL 49 -2.255 1.721 0.431 326 HG23 VAL 49 3HG2 VAL 49 -3.388 1.007 -0.741 327 H CYS 50 H CYS 50 -3.634 -0.067 4.387 328 HA CYS 50 HA CYS 50 -6.134 -0.318 5.456 329 HB2 CYS 50 1HB CYS 50 -3.694 -0.829 6.390 330 HB3 CYS 50 2HB CYS 50 -3.926 0.705 7.205 331 HG CYS 50 HG CYS 50 -6.679 -0.590 7.422 332 H PHE 51 H PHE 51 -3.875 2.535 5.586 333 HA PHE 51 HA PHE 51 -6.165 4.292 5.527 334 HB2 PHE 51 1HB PHE 51 -5.969 4.029 7.922 335 HB3 PHE 51 2HB PHE 51 -4.226 3.865 7.845 336 HD1 PHE 51 1HD PHE 51 -2.795 5.835 7.688 337 HD2 PHE 51 2HD PHE 51 -7.014 6.219 7.934 338 HE1 PHE 51 1HE PHE 51 -2.540 8.266 8.256 339 HE2 PHE 51 2HE PHE 51 -6.759 8.651 8.503 340 HZ PHE 51 HZ PHE 51 -4.525 9.645 8.657 341 H ILE 52 H ILE 52 -5.325 6.692 5.561 342 HA ILE 52 HA ILE 52 -2.640 6.854 4.438 343 HB ILE 52 HB ILE 52 -5.163 7.762 3.060 344 HG12 ILE 52 1HG1 ILE 52 -2.921 5.967 2.091 345 HG13 ILE 52 2HG1 ILE 52 -4.430 5.383 2.765 346 HG21 ILE 52 1HG2 ILE 52 -3.931 9.038 1.546 347 HG22 ILE 52 2HG2 ILE 52 -3.235 9.466 3.128 348 HG23 ILE 52 3HG2 ILE 52 -2.380 8.330 2.058 349 HD11 ILE 52 1HD1 ILE 52 -4.679 7.417 0.582 350 HD12 ILE 52 2HD1 ILE 52 -4.072 5.812 0.108 351 HD13 ILE 52 3HD1 ILE 52 -5.658 5.966 0.901 352 H GLU 53 H GLU 53 -1.584 8.797 4.902 353 HA GLU 53 HA GLU 53 -2.761 10.243 7.039 354 HB2 GLU 53 1HB GLU 53 -0.102 10.120 5.678 355 HB3 GLU 53 2HB GLU 53 -0.488 11.642 6.456 356 HG2 GLU 53 1HG GLU 53 -1.290 9.848 8.399 357 HG3 GLU 53 2HG GLU 53 0.044 8.973 7.673 358 HA PRO 54 HA PRO 54 -4.444 13.438 4.615 359 HB2 PRO 54 1HB PRO 54 -4.967 15.275 6.571 360 HB3 PRO 54 2HB PRO 54 -6.021 13.918 6.224 361 HG2 PRO 54 1HG PRO 54 -4.152 14.282 8.485 362 HG3 PRO 54 2HG PRO 54 -5.496 13.167 8.340 363 HD2 PRO 54 1HD PRO 54 -2.710 12.540 8.079 364 HD3 PRO 54 2HD PRO 54 -4.058 11.451 7.820 365 H ASP 55 H ASP 55 -3.687 14.934 3.240 366 HA ASP 55 HA ASP 55 -2.449 16.575 2.521 367 HB2 ASP 55 1HB ASP 55 -2.732 17.363 5.080 368 HB3 ASP 55 2HB ASP 55 -1.020 16.997 5.147 369 H SER 56 H SER 56 -1.519 13.633 3.490 370 HA SER 56 HA SER 56 1.306 13.961 3.591 371 HB2 SER 56 1HB SER 56 1.308 11.810 4.340 372 HB3 SER 56 2HB SER 56 -0.423 12.034 4.496 373 HG SER 56 HG SER 56 -0.643 10.460 3.074 374 HA PRO 57 HA PRO 57 2.196 13.119 -0.602 375 HB2 PRO 57 1HB PRO 57 4.007 11.074 -0.675 376 HB3 PRO 57 2HB PRO 57 4.438 12.720 -0.257 377 HG2 PRO 57 1HG PRO 57 4.134 10.376 1.519 378 HG3 PRO 57 2HG PRO 57 4.958 11.891 1.831 379 HD2 PRO 57 1HD PRO 57 2.384 11.102 2.820 380 HD3 PRO 57 2HD PRO 57 3.157 12.660 3.036 381 H ALA 58 H ALA 58 1.566 10.034 0.966 382 HA ALA 58 HA ALA 58 0.839 8.696 -1.372 383 HB1 ALA 58 1HB ALA 58 1.027 7.122 0.234 384 HB2 ALA 58 2HB ALA 58 0.743 8.304 1.535 385 HB3 ALA 58 3HB ALA 58 -0.637 7.553 0.697 386 H GLU 59 H GLU 59 -0.773 11.148 0.558 387 HA GLU 59 HA GLU 59 -3.333 10.464 -0.570 388 HB2 GLU 59 1HB GLU 59 -2.936 11.263 1.854 389 HB3 GLU 59 2HB GLU 59 -2.676 12.861 1.184 390 HG2 GLU 59 1HG GLU 59 -4.957 13.011 1.550 391 HG3 GLU 59 2HG GLU 59 -4.998 12.338 -0.068 392 H ARG 60 H ARG 60 -0.711 12.873 -0.871 393 HA ARG 60 HA ARG 60 -2.021 14.797 -2.267 394 HB2 ARG 60 1HB ARG 60 0.842 13.774 -2.349 395 HB3 ARG 60 2HB ARG 60 0.353 15.087 -3.402 396 HG2 ARG 60 1HG ARG 60 -0.674 15.700 -0.794 397 HG3 ARG 60 2HG ARG 60 0.983 15.174 -0.570 398 HD2 ARG 60 1HD ARG 60 1.870 16.954 -1.795 399 HD3 ARG 60 2HD ARG 60 0.466 17.086 -2.835 400 HE ARG 60 HE ARG 60 -0.467 18.603 -1.324 401 HH11 ARG 60 2HH2 ARG 60 2.021 16.743 0.328 402 HH12 ARG 60 1HH2 ARG 60 1.928 17.673 1.787 403 HH21 ARG 60 2HH1 ARG 60 -0.592 19.829 0.600 404 HH22 ARG 60 1HH1 ARG 60 0.431 19.440 1.943 405 H CYS 61 H CYS 61 -0.854 11.594 -3.303 406 HA CYS 61 HA CYS 61 -0.897 12.044 -6.055 407 HB2 CYS 61 1HB CYS 61 -0.680 9.736 -4.252 408 HB3 CYS 61 2HB CYS 61 -1.505 9.357 -5.750 409 HG CYS 61 HG CYS 61 0.295 10.475 -7.333 410 H GLY 62 H GLY 62 -3.384 11.476 -3.596 411 HA2 GLY 62 1HA GLY 62 -5.629 11.616 -3.710 412 HA3 GLY 62 2HA GLY 62 -5.485 12.212 -5.351 413 H LEU 63 H LEU 63 -4.490 10.281 -6.904 414 HA LEU 63 HA LEU 63 -6.533 8.540 -7.332 415 HB2 LEU 63 1HB LEU 63 -5.326 8.042 -9.104 416 HB3 LEU 63 2HB LEU 63 -4.108 9.142 -8.492 417 HG LEU 63 HG LEU 63 -3.119 7.140 -7.244 418 HD11 LEU 63 1HD1 LEU 63 -4.157 5.221 -9.169 419 HD12 LEU 63 2HD1 LEU 63 -4.000 5.103 -7.400 420 HD13 LEU 63 3HD1 LEU 63 -5.435 5.874 -8.116 421 HD21 LEU 63 1HD2 LEU 63 -1.839 6.421 -9.168 422 HD22 LEU 63 2HD2 LEU 63 -3.079 7.060 -10.273 423 HD23 LEU 63 3HD2 LEU 63 -2.132 8.174 -9.259 424 H LEU 64 H LEU 64 -3.895 8.329 -4.977 425 HA LEU 64 HA LEU 64 -4.427 5.550 -4.437 426 HB2 LEU 64 1HB LEU 64 -2.200 6.977 -4.288 427 HB3 LEU 64 2HB LEU 64 -2.775 7.287 -2.662 428 HG LEU 64 HG LEU 64 -2.703 4.448 -3.600 429 HD11 LEU 64 1HD1 LEU 64 -0.182 5.271 -2.373 430 HD12 LEU 64 2HD1 LEU 64 -0.491 4.241 -3.791 431 HD13 LEU 64 3HD1 LEU 64 -0.454 6.012 -3.968 432 HD21 LEU 64 1HD2 LEU 64 -2.408 5.911 -0.984 433 HD22 LEU 64 2HD2 LEU 64 -3.584 4.660 -1.453 434 HD23 LEU 64 3HD2 LEU 64 -1.884 4.220 -1.166 435 H GLN 65 H GLN 65 -5.832 4.744 -2.951 436 HA GLN 65 HA GLN 65 -6.637 6.410 -0.774 437 HB2 GLN 65 1HB GLN 65 -9.071 6.236 -1.271 438 HB3 GLN 65 2HB GLN 65 -8.218 7.178 -2.478 439 HG2 GLN 65 1HG GLN 65 -7.994 4.768 -3.673 440 HG3 GLN 65 2HG GLN 65 -9.422 4.425 -2.717 441 HE21 GLN 65 1HE2 GLN 65 -11.170 6.086 -2.792 442 HE22 GLN 65 2HE2 GLN 65 -11.540 6.821 -4.316 443 H VAL 66 H VAL 66 -7.807 5.172 0.902 444 HA VAL 66 HA VAL 66 -6.787 2.717 1.401 445 HB VAL 66 HB VAL 66 -9.341 4.070 2.229 446 HG11 VAL 66 1HG1 VAL 66 -8.693 1.247 2.527 447 HG12 VAL 66 2HG1 VAL 66 -8.865 2.053 4.105 448 HG13 VAL 66 3HG1 VAL 66 -10.192 2.122 2.921 449 HG21 VAL 66 1HG2 VAL 66 -6.761 3.437 3.702 450 HG22 VAL 66 2HG2 VAL 66 -7.229 5.020 3.036 451 HG23 VAL 66 3HG2 VAL 66 -8.161 4.306 4.374 452 H GLY 67 H GLY 67 -7.193 0.596 0.851 453 HA2 GLY 67 1HA GLY 67 -8.794 -1.064 0.156 454 HA3 GLY 67 2HA GLY 67 -9.511 0.118 -0.922 455 H ASP 68 H ASP 68 -7.086 1.299 -1.983 456 HA ASP 68 HA ASP 68 -6.657 -0.091 -4.177 457 HB2 ASP 68 1HB ASP 68 -4.698 1.549 -2.527 458 HB3 ASP 68 2HB ASP 68 -4.229 0.895 -4.083 459 H ARG 69 H ARG 69 -5.307 -1.849 -4.881 460 HA ARG 69 HA ARG 69 -4.262 -3.421 -2.695 461 HB2 ARG 69 1HB ARG 69 -4.611 -4.193 -5.635 462 HB3 ARG 69 2HB ARG 69 -4.255 -5.292 -4.317 463 HG2 ARG 69 1HG ARG 69 -6.507 -5.582 -4.147 464 HG3 ARG 69 2HG ARG 69 -6.539 -4.004 -3.385 465 HD2 ARG 69 1HD ARG 69 -8.087 -3.681 -5.113 466 HD3 ARG 69 2HD ARG 69 -6.624 -3.094 -5.878 467 HE ARG 69 HE ARG 69 -6.773 -4.860 -7.390 468 HH11 ARG 69 2HH2 ARG 69 -8.535 -5.736 -4.473 469 HH12 ARG 69 1HH2 ARG 69 -9.114 -7.235 -5.119 470 HH21 ARG 69 2HH1 ARG 69 -7.537 -6.838 -8.244 471 HH22 ARG 69 1HH1 ARG 69 -8.542 -7.866 -7.278 472 H VAL 70 H VAL 70 -2.052 -3.748 -2.407 473 HA VAL 70 HA VAL 70 -0.310 -2.433 -4.345 474 HB VAL 70 HB VAL 70 0.042 -3.330 -1.484 475 HG11 VAL 70 1HG1 VAL 70 2.272 -1.886 -1.942 476 HG12 VAL 70 2HG1 VAL 70 2.204 -3.657 -2.110 477 HG13 VAL 70 3HG1 VAL 70 2.062 -2.620 -3.550 478 HG21 VAL 70 1HG2 VAL 70 0.124 -0.566 -2.741 479 HG22 VAL 70 2HG2 VAL 70 -1.257 -1.254 -1.853 480 HG23 VAL 70 3HG2 VAL 70 0.281 -0.954 -1.010 481 H LEU 71 H LEU 71 0.563 -3.675 -5.913 482 HA LEU 71 HA LEU 71 0.621 -6.533 -5.556 483 HB2 LEU 71 1HB LEU 71 1.414 -4.746 -7.859 484 HB3 LEU 71 2HB LEU 71 1.457 -6.498 -7.896 485 HG LEU 71 HG LEU 71 -0.930 -4.668 -7.806 486 HD11 LEU 71 1HD1 LEU 71 -0.721 -5.111 -9.995 487 HD12 LEU 71 2HD1 LEU 71 0.297 -6.544 -9.718 488 HD13 LEU 71 3HD1 LEU 71 -1.472 -6.669 -9.576 489 HD21 LEU 71 1HD2 LEU 71 -2.297 -6.823 -7.558 490 HD22 LEU 71 2HD2 LEU 71 -0.807 -7.541 -6.899 491 HD23 LEU 71 3HD2 LEU 71 -1.550 -6.138 -6.094 492 H SER 72 H SER 72 3.044 -3.921 -6.280 493 HA SER 72 HA SER 72 4.933 -5.502 -4.748 494 HB2 SER 72 1HB SER 72 6.677 -4.724 -6.559 495 HB3 SER 72 2HB SER 72 5.690 -6.140 -6.864 496 HG SER 72 HG SER 72 4.158 -4.591 -7.974 497 H ILE 73 H ILE 73 7.058 -4.050 -4.424 498 HA ILE 73 HA ILE 73 6.268 -1.241 -4.216 499 HB ILE 73 HB ILE 73 7.379 -2.956 -1.995 500 HG12 ILE 73 1HG1 ILE 73 4.820 -1.335 -2.121 501 HG13 ILE 73 2HG1 ILE 73 4.910 -3.058 -2.429 502 HG21 ILE 73 1HG2 ILE 73 8.393 -0.599 -2.301 503 HG22 ILE 73 2HG2 ILE 73 6.805 -0.011 -1.755 504 HG23 ILE 73 3HG2 ILE 73 7.774 -1.066 -0.699 505 HD11 ILE 73 1HD1 ILE 73 4.269 -2.587 -0.074 506 HD12 ILE 73 2HD1 ILE 73 5.825 -3.447 -0.158 507 HD13 ILE 73 3HD1 ILE 73 5.793 -1.696 0.158 508 H ASN 74 H ASN 74 7.684 -0.126 -5.439 509 HA ASN 74 HA ASN 74 9.571 0.626 -6.212 510 HB2 ASN 74 1HB ASN 74 10.399 -0.593 -3.731 511 HB3 ASN 74 2HB ASN 74 11.606 -1.011 -4.931 512 HD21 ASN 74 1HD2 ASN 74 11.616 0.822 -2.596 513 HD22 ASN 74 2HD2 ASN 74 12.149 2.363 -3.182 514 H GLY 75 H GLY 75 8.279 -2.283 -6.719 515 HA2 GLY 75 1HA GLY 75 8.645 -3.360 -8.818 516 HA3 GLY 75 2HA GLY 75 10.371 -3.129 -8.622 517 H ILE 76 H ILE 76 9.140 -3.858 -5.561 518 HA ILE 76 HA ILE 76 9.940 -6.650 -5.900 519 HB ILE 76 HB ILE 76 9.690 -5.009 -3.378 520 HG12 ILE 76 1HG1 ILE 76 11.425 -4.256 -5.134 521 HG13 ILE 76 2HG1 ILE 76 11.947 -4.484 -3.477 522 HG21 ILE 76 1HG2 ILE 76 11.189 -6.854 -2.491 523 HG22 ILE 76 2HG2 ILE 76 9.494 -7.293 -2.811 524 HG23 ILE 76 3HG2 ILE 76 10.769 -7.771 -3.958 525 HD11 ILE 76 1HD1 ILE 76 12.192 -6.629 -5.634 526 HD12 ILE 76 2HD1 ILE 76 13.502 -5.511 -5.180 527 HD13 ILE 76 3HD1 ILE 76 12.879 -6.682 -3.993 528 H ALA 77 H ALA 77 8.481 -8.283 -5.738 529 HA ALA 77 HA ALA 77 5.727 -7.593 -5.492 530 HB1 ALA 77 1HB ALA 77 6.823 -10.405 -5.420 531 HB2 ALA 77 2HB ALA 77 5.343 -9.791 -6.194 532 HB3 ALA 77 3HB ALA 77 6.933 -9.442 -6.912 533 H THR 78 H THR 78 4.503 -7.510 -3.671 534 HA THR 78 HA THR 78 5.744 -8.032 -1.150 535 HB THR 78 HB THR 78 3.702 -7.054 -0.287 536 HG1 THR 78 1HG THR 78 2.663 -7.487 -2.990 537 HG21 THR 78 1HG2 THR 78 5.025 -5.822 -2.522 538 HG22 THR 78 2HG2 THR 78 3.276 -5.594 -2.761 539 HG23 THR 78 3HG2 THR 78 4.052 -5.021 -1.266 540 H GLU 79 H GLU 79 3.972 -9.938 -3.454 541 HA GLU 79 HA GLU 79 2.954 -11.729 -1.494 542 HB2 GLU 79 1HB GLU 79 3.250 -12.398 -4.432 543 HB3 GLU 79 2HB GLU 79 2.001 -12.910 -3.315 544 HG2 GLU 79 1HG GLU 79 1.570 -10.244 -3.164 545 HG3 GLU 79 2HG GLU 79 2.305 -10.282 -4.754 546 H ASP 80 H ASP 80 5.997 -11.194 -3.056 547 HA ASP 80 HA ASP 80 6.781 -13.951 -2.661 548 HB2 ASP 80 1HB ASP 80 7.361 -12.225 -4.683 549 HB3 ASP 80 2HB ASP 80 8.711 -11.858 -3.627 550 H GLY 81 H GLY 81 6.195 -11.924 -0.454 551 HA2 GLY 81 1HA GLY 81 8.622 -12.345 1.072 552 HA3 GLY 81 2HA GLY 81 8.255 -10.667 0.725 553 H THR 82 H THR 82 8.121 -10.667 3.208 554 HA THR 82 HA THR 82 5.479 -11.615 4.089 555 HB THR 82 HB THR 82 6.600 -11.305 6.393 556 HG1 THR 82 1HG THR 82 8.265 -9.878 5.197 557 HG21 THR 82 1HG2 THR 82 6.994 -13.544 6.151 558 HG22 THR 82 2HG2 THR 82 7.113 -13.370 4.383 559 HG23 THR 82 3HG2 THR 82 8.553 -13.126 5.401 560 H MET 83 H MET 83 4.275 -10.212 5.605 561 HA MET 83 HA MET 83 3.658 -7.854 4.513 562 HB2 MET 83 1HB MET 83 2.744 -9.267 6.624 563 HB3 MET 83 2HB MET 83 3.659 -8.087 7.541 564 HG2 MET 83 1HG MET 83 1.416 -7.494 5.553 565 HG3 MET 83 2HG MET 83 1.344 -7.300 7.293 566 HE1 MET 83 1HE MET 83 1.567 -4.071 4.820 567 HE2 MET 83 2HE MET 83 2.638 -5.180 3.931 568 HE3 MET 83 3HE MET 83 1.062 -5.753 4.529 569 H GLU 84 H GLU 84 5.812 -8.214 7.430 570 HA GLU 84 HA GLU 84 6.476 -5.644 7.771 571 HB2 GLU 84 1HB GLU 84 8.835 -6.705 8.433 572 HB3 GLU 84 2HB GLU 84 7.399 -7.016 9.388 573 HG2 GLU 84 1HG GLU 84 7.419 -9.232 8.873 574 HG3 GLU 84 2HG GLU 84 7.580 -8.907 7.158 575 H GLU 85 H GLU 85 8.309 -7.989 5.672 576 HA GLU 85 HA GLU 85 10.222 -6.430 4.727 577 HB2 GLU 85 1HB GLU 85 8.567 -8.608 3.512 578 HB3 GLU 85 2HB GLU 85 9.558 -7.684 2.401 579 HG2 GLU 85 1HG GLU 85 11.023 -8.405 4.861 580 HG3 GLU 85 2HG GLU 85 10.423 -9.817 4.013 581 H ALA 86 H ALA 86 6.885 -6.588 3.283 582 HA ALA 86 HA ALA 86 7.202 -4.723 1.318 583 HB1 ALA 86 1HB ALA 86 4.951 -5.766 2.978 584 HB2 ALA 86 2HB ALA 86 4.647 -4.263 2.074 585 HB3 ALA 86 3HB ALA 86 5.151 -5.735 1.210 586 H ASN 87 H ASN 87 6.255 -4.168 4.778 587 HA ASN 87 HA ASN 87 6.027 -1.430 4.524 588 HB2 ASN 87 1HB ASN 87 6.468 -3.366 6.800 589 HB3 ASN 87 2HB ASN 87 6.728 -1.667 7.139 590 HD21 ASN 87 1HD2 ASN 87 4.553 -4.013 7.384 591 HD22 ASN 87 2HD2 ASN 87 3.057 -3.154 7.239 592 H GLN 88 H GLN 88 8.756 -3.579 5.598 593 HA GLN 88 HA GLN 88 10.540 -1.656 6.307 594 HB2 GLN 88 1HB GLN 88 10.939 -4.028 6.714 595 HB3 GLN 88 2HB GLN 88 11.003 -4.367 4.996 596 HG2 GLN 88 1HG GLN 88 13.260 -4.108 5.205 597 HG3 GLN 88 2HG GLN 88 12.927 -2.388 5.224 598 HE21 GLN 88 1HE2 GLN 88 13.522 -1.243 6.909 599 HE22 GLN 88 2HE2 GLN 88 13.991 -1.845 8.464 600 H LEU 89 H LEU 89 9.600 -2.803 3.056 601 HA LEU 89 HA LEU 89 11.736 -1.645 1.657 602 HB2 LEU 89 1HB LEU 89 9.002 -2.644 0.980 603 HB3 LEU 89 2HB LEU 89 9.879 -1.705 -0.212 604 HG LEU 89 HG LEU 89 11.023 -4.179 1.103 605 HD11 LEU 89 1HD1 LEU 89 8.880 -4.621 -0.150 606 HD12 LEU 89 2HD1 LEU 89 9.716 -4.071 -1.622 607 HD13 LEU 89 3HD1 LEU 89 10.313 -5.497 -0.739 608 HD21 LEU 89 1HD2 LEU 89 11.829 -3.017 -1.554 609 HD22 LEU 89 2HD2 LEU 89 12.505 -2.390 -0.031 610 HD23 LEU 89 3HD2 LEU 89 12.734 -4.100 -0.469 611 H LEU 90 H LEU 90 8.442 -0.436 2.539 612 HA LEU 90 HA LEU 90 8.637 1.989 1.206 613 HB2 LEU 90 1HB LEU 90 7.019 0.876 3.438 614 HB3 LEU 90 2HB LEU 90 7.023 2.617 3.239 615 HG LEU 90 HG LEU 90 5.192 1.160 2.088 616 HD11 LEU 90 1HD1 LEU 90 5.208 3.508 1.788 617 HD12 LEU 90 2HD1 LEU 90 6.669 3.446 0.773 618 HD13 LEU 90 3HD1 LEU 90 5.131 2.795 0.159 619 HD21 LEU 90 1HD2 LEU 90 7.273 1.021 -0.097 620 HD22 LEU 90 2HD2 LEU 90 6.944 -0.331 1.013 621 HD23 LEU 90 3HD2 LEU 90 5.656 0.280 -0.052 622 H ARG 91 H ARG 91 9.962 0.871 4.320 623 HA ARG 91 HA ARG 91 10.540 3.394 5.314 624 HB2 ARG 91 1HB ARG 91 10.912 0.677 6.102 625 HB3 ARG 91 2HB ARG 91 12.514 1.387 6.122 626 HG2 ARG 91 1HG ARG 91 11.259 3.394 7.378 627 HG3 ARG 91 2HG ARG 91 10.080 2.149 7.742 628 HD2 ARG 91 1HD ARG 91 11.509 1.012 9.164 629 HD3 ARG 91 2HD ARG 91 12.927 1.356 8.193 630 HE ARG 91 HE ARG 91 13.310 3.270 9.482 631 HH11 ARG 91 2HH2 ARG 91 9.970 2.251 9.915 632 HH12 ARG 91 1HH2 ARG 91 9.645 3.407 11.163 633 HH21 ARG 91 2HH1 ARG 91 12.883 4.794 11.129 634 HH22 ARG 91 1HH1 ARG 91 11.313 4.863 11.859 635 H ASP 92 H ASP 92 12.856 0.909 3.978 636 HA ASP 92 HA ASP 92 15.003 2.540 3.784 637 HB2 ASP 92 1HB ASP 92 14.612 -0.035 3.245 638 HB3 ASP 92 2HB ASP 92 14.411 0.527 1.597 639 H ALA 93 H ALA 93 12.112 2.272 1.726 640 HA ALA 93 HA ALA 93 13.227 3.662 -0.503 641 HB1 ALA 93 1HB ALA 93 10.991 3.518 -1.394 642 HB2 ALA 93 2HB ALA 93 11.334 1.983 -0.561 643 HB3 ALA 93 3HB ALA 93 10.308 3.210 0.220 644 H ALA 94 H ALA 94 11.550 4.489 2.525 645 HA ALA 94 HA ALA 94 10.845 7.117 1.744 646 HB1 ALA 94 1HB ALA 94 10.853 7.265 4.415 647 HB2 ALA 94 2HB ALA 94 9.588 6.379 3.531 648 HB3 ALA 94 3HB ALA 94 10.947 5.494 4.264 649 H LEU 95 H LEU 95 13.724 5.565 3.198 650 HA LEU 95 HA LEU 95 14.972 7.972 3.967 651 HB2 LEU 95 1HB LEU 95 16.254 5.322 3.300 652 HB3 LEU 95 2HB LEU 95 16.938 6.614 4.266 653 HG LEU 95 HG LEU 95 14.447 5.067 5.029 654 HD11 LEU 95 1HD1 LEU 95 15.850 3.367 5.419 655 HD12 LEU 95 2HD1 LEU 95 17.296 4.400 5.304 656 HD13 LEU 95 3HD1 LEU 95 16.375 4.324 6.825 657 HD21 LEU 95 1HD2 LEU 95 15.691 7.458 6.068 658 HD22 LEU 95 2HD2 LEU 95 14.162 6.674 6.532 659 HD23 LEU 95 3HD2 LEU 95 15.689 6.166 7.293 660 H ALA 96 H ALA 96 14.238 6.629 0.901 661 HA ALA 96 HA ALA 96 16.526 7.908 -0.373 662 HB1 ALA 96 1HB ALA 96 14.574 5.773 -1.029 663 HB2 ALA 96 2HB ALA 96 15.003 6.845 -2.384 664 HB3 ALA 96 3HB ALA 96 16.277 5.956 -1.514 665 H HIS 97 H HIS 97 13.196 8.452 0.499 666 HA HIS 97 HA HIS 97 11.986 10.294 0.306 667 HB2 HIS 97 1HB HIS 97 13.899 11.536 -1.658 668 HB3 HIS 97 2HB HIS 97 12.812 12.324 -0.531 669 HD1 HIS 97 1HD HIS 97 15.572 13.347 -0.350 670 HD2 HIS 97 2HD HIS 97 14.396 9.900 1.731 671 HE1 HIS 97 1HE HIS 97 17.238 13.063 1.562 672 H LYS 98 H LYS 98 12.401 7.891 -1.718 673 HA LYS 98 HA LYS 98 10.244 8.753 -3.421 674 HB2 LYS 98 1HB LYS 98 12.119 9.569 -4.717 675 HB3 LYS 98 2HB LYS 98 12.954 8.035 -4.572 676 HG2 LYS 98 1HG LYS 98 10.234 7.666 -5.622 677 HG3 LYS 98 2HG LYS 98 11.146 8.790 -6.610 678 HD2 LYS 98 1HD LYS 98 13.048 6.846 -6.216 679 HD3 LYS 98 2HD LYS 98 11.594 5.869 -6.149 680 HE2 LYS 98 1HE LYS 98 10.906 7.183 -8.340 681 HE3 LYS 98 2HE LYS 98 12.610 7.583 -8.439 682 HZ1 LYS 98 1HZ LYS 98 13.000 5.569 -9.192 683 HZ2 LYS 98 2HZ LYS 98 12.332 4.863 -7.880 684 HZ3 LYS 98 3HZ LYS 98 11.404 5.226 -9.173 685 H VAL 99 H VAL 99 8.975 7.009 -4.114 686 HA VAL 99 HA VAL 99 9.995 4.337 -3.771 687 HB VAL 99 HB VAL 99 9.290 5.037 -1.495 688 HG11 VAL 99 1HG1 VAL 99 6.991 5.442 -0.953 689 HG12 VAL 99 2HG1 VAL 99 7.428 6.541 -2.284 690 HG13 VAL 99 3HG1 VAL 99 6.471 5.077 -2.616 691 HG21 VAL 99 1HG2 VAL 99 7.814 3.047 -1.085 692 HG22 VAL 99 2HG2 VAL 99 7.716 2.823 -2.848 693 HG23 VAL 99 3HG2 VAL 99 9.286 2.692 -2.020 694 H VAL 100 H VAL 100 8.953 2.901 -5.144 695 HA VAL 100 HA VAL 100 6.768 4.091 -6.704 696 HB VAL 100 HB VAL 100 8.738 1.932 -7.484 697 HG11 VAL 100 1HG1 VAL 100 7.744 1.838 -9.551 698 HG12 VAL 100 2HG1 VAL 100 6.319 2.205 -8.550 699 HG13 VAL 100 3HG1 VAL 100 7.127 3.505 -9.458 700 HG21 VAL 100 1HG2 VAL 100 9.133 4.743 -7.293 701 HG22 VAL 100 2HG2 VAL 100 10.219 3.518 -7.993 702 HG23 VAL 100 3HG2 VAL 100 9.020 4.337 -9.023 703 H LEU 101 H LEU 101 4.871 2.892 -7.057 704 HA LEU 101 HA LEU 101 4.754 0.279 -5.756 705 HB2 LEU 101 1HB LEU 101 2.529 2.239 -5.347 706 HB3 LEU 101 2HB LEU 101 2.907 0.780 -4.452 707 HG LEU 101 HG LEU 101 4.751 3.166 -4.383 708 HD11 LEU 101 1HD1 LEU 101 3.433 3.488 -2.078 709 HD12 LEU 101 2HD1 LEU 101 2.968 4.317 -3.584 710 HD13 LEU 101 3HD1 LEU 101 2.101 2.849 -3.071 711 HD21 LEU 101 1HD2 LEU 101 5.335 0.781 -3.531 712 HD22 LEU 101 2HD2 LEU 101 5.705 2.193 -2.512 713 HD23 LEU 101 3HD2 LEU 101 4.272 1.196 -2.165 714 H GLU 102 H GLU 102 3.059 -1.106 -6.597 715 HA GLU 102 HA GLU 102 2.022 -0.103 -9.134 716 HB2 GLU 102 1HB GLU 102 3.826 -1.684 -9.599 717 HB3 GLU 102 2HB GLU 102 3.144 -2.864 -8.497 718 HG2 GLU 102 1HG GLU 102 1.789 -3.680 -10.121 719 HG3 GLU 102 2HG GLU 102 1.096 -2.094 -10.398 720 H VAL 103 H VAL 103 -0.164 0.121 -8.950 721 HA VAL 103 HA VAL 103 -1.559 -1.608 -7.069 722 HB VAL 103 HB VAL 103 -2.879 0.556 -8.644 723 HG11 VAL 103 1HG1 VAL 103 -3.079 -0.425 -5.778 724 HG12 VAL 103 2HG1 VAL 103 -4.025 0.920 -6.460 725 HG13 VAL 103 3HG1 VAL 103 -4.231 -0.727 -7.101 726 HG21 VAL 103 1HG2 VAL 103 -2.055 2.080 -6.644 727 HG22 VAL 103 2HG2 VAL 103 -0.673 0.959 -6.655 728 HG23 VAL 103 3HG2 VAL 103 -1.077 1.889 -8.119 729 H GLU 104 H GLU 104 -3.640 -2.626 -7.755 730 HA GLU 104 HA GLU 104 -3.516 -3.321 -10.586 731 HB2 GLU 104 1HB GLU 104 -2.816 -5.099 -8.741 732 HB3 GLU 104 2HB GLU 104 -4.546 -5.274 -8.522 733 HG2 GLU 104 1HG GLU 104 -4.443 -5.389 -11.245 734 HG3 GLU 104 2HG GLU 104 -2.845 -6.008 -10.881 735 H PHE 105 H PHE 105 -5.466 -3.269 -11.722 736 HA PHE 105 HA PHE 105 -7.969 -3.466 -10.493 737 HB2 PHE 105 1HB PHE 105 -8.606 -1.018 -10.814 738 HB3 PHE 105 2HB PHE 105 -7.384 -1.234 -9.577 739 HD1 PHE 105 1HD PHE 105 -7.655 -0.559 -13.238 740 HD2 PHE 105 2HD PHE 105 -5.495 0.096 -9.645 741 HE1 PHE 105 1HE PHE 105 -6.158 1.063 -14.433 742 HE2 PHE 105 2HE PHE 105 -3.998 1.717 -10.840 743 HZ PHE 105 HZ PHE 105 -4.347 2.182 -13.220 744 H ASP 106 H ASP 106 -9.690 -2.265 -12.157 745 HA ASP 106 HA ASP 106 -8.737 -3.120 -14.775 746 HB2 ASP 106 1HB ASP 106 -11.504 -3.123 -13.501 747 HB3 ASP 106 2HB ASP 106 -11.289 -3.321 -15.229 748 H SER 107 H SER 107 -8.264 -1.275 -15.991 749 HA SER 107 HA SER 107 -9.433 1.207 -15.337 750 HB2 SER 107 1HB SER 107 -7.126 0.971 -16.244 751 HB3 SER 107 2HB SER 107 -7.773 0.368 -17.756 752 HG SER 107 HG SER 107 -7.219 2.816 -17.413 753 H GLY 108 H GLY 108 -11.704 1.125 -15.630 754 HA2 GLY 108 1HA GLY 108 -12.569 0.820 -18.440 755 HA3 GLY 108 2HA GLY 108 -13.444 0.070 -17.119 756 HA PRO 109 HA PRO 109 -15.117 4.275 -17.681 757 HB2 PRO 109 1HB PRO 109 -17.701 3.601 -18.261 758 HB3 PRO 109 2HB PRO 109 -16.500 3.938 -19.491 759 HG2 PRO 109 1HG PRO 109 -17.602 1.330 -18.643 760 HG3 PRO 109 2HG PRO 109 -16.746 1.732 -20.118 761 HD2 PRO 109 1HD PRO 109 -15.686 0.343 -17.843 762 HD3 PRO 109 2HD PRO 109 -14.801 0.847 -19.268 763 H SER 110 H SER 110 -16.849 1.566 -16.227 764 HA SER 110 HA SER 110 -17.834 1.357 -14.304 765 HB2 SER 110 1HB SER 110 -15.554 1.787 -13.423 766 HB3 SER 110 2HB SER 110 -15.875 3.510 -13.390 767 HG SER 110 HG SER 110 -17.251 1.477 -11.850 768 H SER 111 H SER 111 -19.967 2.007 -14.416 769 HA SER 111 HA SER 111 -20.965 4.331 -15.166 770 HB2 SER 111 1HB SER 111 -22.324 2.349 -14.589 771 HB3 SER 111 2HB SER 111 -22.007 2.597 -12.883 772 HG SER 111 HG SER 111 -24.073 3.463 -13.450 773 H GLY 112 H GLY 112 -20.831 6.446 -14.504 774 HA2 GLY 112 1HA GLY 112 -20.951 8.173 -12.984 775 HA3 GLY 112 2HA GLY 112 -20.705 7.053 -11.658 Start of MODEL 15 1 H1 GLY 1 H GLY 1 24.883 -0.265 -17.886 2 HA2 GLY 1 1HA GLY 1 24.809 1.661 -19.067 3 HA3 GLY 1 2HA GLY 1 26.255 1.021 -19.822 4 H SER 2 H SER 2 22.779 1.582 -20.157 5 HA SER 2 HA SER 2 21.455 1.617 -21.875 6 HB2 SER 2 1HB SER 2 24.022 2.271 -22.985 7 HB3 SER 2 2HB SER 2 23.202 1.247 -24.147 8 HG SER 2 HG SER 2 22.766 3.870 -23.625 9 H SER 3 H SER 3 20.334 0.183 -23.408 10 HA SER 3 HA SER 3 21.531 -2.255 -24.148 11 HB2 SER 3 1HB SER 3 20.306 -3.807 -22.795 12 HB3 SER 3 2HB SER 3 21.001 -2.642 -21.684 13 HG SER 3 HG SER 3 19.027 -1.777 -21.258 14 H GLY 4 H GLY 4 19.932 -3.634 -25.414 15 HA2 GLY 4 1HA GLY 4 17.510 -2.149 -26.193 16 HA3 GLY 4 2HA GLY 4 18.674 -2.626 -27.413 17 H SER 5 H SER 5 15.831 -3.537 -25.867 18 HA SER 5 HA SER 5 15.911 -6.076 -27.087 19 HB2 SER 5 1HB SER 5 17.157 -6.614 -25.003 20 HB3 SER 5 2HB SER 5 15.838 -5.983 -24.038 21 HG SER 5 HG SER 5 15.483 -8.184 -24.110 22 H SER 6 H SER 6 13.749 -7.052 -27.145 23 HA SER 6 HA SER 6 11.639 -6.058 -25.658 24 HB2 SER 6 1HB SER 6 12.277 -4.558 -28.146 25 HB3 SER 6 2HB SER 6 10.602 -5.058 -28.016 26 HG SER 6 HG SER 6 10.518 -4.024 -25.904 27 H GLY 7 H GLY 7 9.756 -7.345 -26.026 28 HA2 GLY 7 1HA GLY 7 8.960 -8.669 -28.249 29 HA3 GLY 7 2HA GLY 7 10.215 -9.712 -27.609 30 H GLY 8 H GLY 8 8.057 -11.089 -27.536 31 HA2 GLY 8 1HA GLY 8 6.992 -12.344 -25.911 32 HA3 GLY 8 2HA GLY 8 7.187 -11.046 -24.749 33 H GLY 9 H GLY 9 5.218 -10.288 -24.111 34 HA2 GLY 9 1HA GLY 9 3.477 -8.748 -25.102 35 HA3 GLY 9 2HA GLY 9 3.100 -10.092 -26.162 36 H GLN 10 H GLN 10 0.913 -10.132 -25.269 37 HA GLN 10 HA GLN 10 -0.660 -10.796 -23.924 38 HB2 GLN 10 1HB GLN 10 1.408 -12.834 -23.793 39 HB3 GLN 10 2HB GLN 10 0.554 -12.772 -22.264 40 HG2 GLN 10 1HG GLN 10 -1.573 -13.184 -23.302 41 HG3 GLN 10 2HG GLN 10 -0.963 -12.804 -24.900 42 HE21 GLN 10 1HE2 GLN 10 -1.249 -15.162 -22.401 43 HE22 GLN 10 2HE2 GLN 10 -0.588 -16.525 -23.241 44 H ILE 11 H ILE 11 -1.221 -9.132 -22.547 45 HA ILE 11 HA ILE 11 0.443 -8.778 -20.164 46 HB ILE 11 HB ILE 11 -0.568 -6.591 -19.986 47 HG12 ILE 11 1HG1 ILE 11 -2.414 -7.666 -22.040 48 HG13 ILE 11 2HG1 ILE 11 -2.710 -6.537 -20.733 49 HG21 ILE 11 1HG2 ILE 11 0.599 -5.551 -21.725 50 HG22 ILE 11 2HG2 ILE 11 1.433 -7.108 -21.507 51 HG23 ILE 11 3HG2 ILE 11 0.296 -6.890 -22.859 52 HD11 ILE 11 1HD1 ILE 11 -2.910 -5.248 -22.739 53 HD12 ILE 11 2HD1 ILE 11 -1.314 -4.825 -22.074 54 HD13 ILE 11 3HD1 ILE 11 -1.437 -5.964 -23.436 55 H VAL 12 H VAL 12 -1.018 -7.957 -18.200 56 HA VAL 12 HA VAL 12 -2.797 -10.156 -17.694 57 HB VAL 12 HB VAL 12 -1.214 -9.432 -16.018 58 HG11 VAL 12 1HG1 VAL 12 -1.999 -7.110 -14.880 59 HG12 VAL 12 2HG1 VAL 12 -0.728 -7.217 -16.121 60 HG13 VAL 12 3HG1 VAL 12 -2.386 -6.760 -16.582 61 HG21 VAL 12 1HG2 VAL 12 -3.980 -8.654 -15.054 62 HG22 VAL 12 2HG2 VAL 12 -3.496 -10.336 -15.382 63 HG23 VAL 12 3HG2 VAL 12 -2.657 -9.398 -14.123 64 H HIS 13 H HIS 13 -5.044 -10.045 -17.332 65 HA HIS 13 HA HIS 13 -6.480 -8.394 -18.941 66 HB2 HIS 13 1HB HIS 13 -7.228 -9.890 -16.427 67 HB3 HIS 13 2HB HIS 13 -8.416 -8.998 -17.357 68 HD1 HIS 13 1HD HIS 13 -9.424 -10.162 -19.359 69 HD2 HIS 13 2HD HIS 13 -5.947 -12.055 -17.972 70 HE1 HIS 13 1HE HIS 13 -9.222 -12.340 -20.674 71 H THR 14 H THR 14 -6.068 -8.038 -15.343 72 HA THR 14 HA THR 14 -7.324 -5.519 -15.256 73 HB THR 14 HB THR 14 -5.339 -6.914 -13.383 74 HG1 THR 14 1HG THR 14 -7.441 -7.965 -13.973 75 HG21 THR 14 1HG2 THR 14 -5.515 -4.612 -12.629 76 HG22 THR 14 2HG2 THR 14 -7.253 -4.559 -13.012 77 HG23 THR 14 3HG2 THR 14 -6.672 -5.543 -11.648 78 H GLU 15 H GLU 15 -6.069 -3.540 -14.288 79 HA GLU 15 HA GLU 15 -3.857 -3.129 -16.135 80 HB2 GLU 15 1HB GLU 15 -5.890 -1.249 -14.894 81 HB3 GLU 15 2HB GLU 15 -4.397 -0.629 -15.569 82 HG2 GLU 15 1HG GLU 15 -6.549 -2.224 -17.029 83 HG3 GLU 15 2HG GLU 15 -6.107 -0.550 -17.304 84 H THR 16 H THR 16 -2.396 -1.124 -15.146 85 HA THR 16 HA THR 16 -1.952 -1.525 -12.303 86 HB THR 16 HB THR 16 0.589 -1.902 -13.036 87 HG1 THR 16 1HG THR 16 -0.148 -1.628 -15.342 88 HG21 THR 16 1HG2 THR 16 -0.666 -3.664 -11.827 89 HG22 THR 16 2HG2 THR 16 -1.555 -4.073 -13.314 90 HG23 THR 16 3HG2 THR 16 0.193 -4.389 -13.208 91 H THR 17 H THR 17 -1.100 0.249 -11.285 92 HA THR 17 HA THR 17 -0.316 2.463 -13.062 93 HB THR 17 HB THR 17 -2.721 2.392 -11.821 94 HG1 THR 17 1HG THR 17 -2.477 4.717 -12.003 95 HG21 THR 17 1HG2 THR 17 -1.497 2.217 -9.527 96 HG22 THR 17 2HG2 THR 17 -0.946 3.881 -9.834 97 HG23 THR 17 3HG2 THR 17 -2.686 3.530 -9.698 98 H GLU 18 H GLU 18 1.507 3.570 -12.539 99 HA GLU 18 HA GLU 18 2.861 2.558 -10.170 100 HB2 GLU 18 1HB GLU 18 4.022 2.197 -12.334 101 HB3 GLU 18 2HB GLU 18 3.990 3.919 -12.657 102 HG2 GLU 18 1HG GLU 18 5.537 4.410 -10.917 103 HG3 GLU 18 2HG GLU 18 5.239 2.894 -10.090 104 H VAL 19 H VAL 19 2.991 3.890 -8.418 105 HA VAL 19 HA VAL 19 2.617 6.759 -8.919 106 HB VAL 19 HB VAL 19 1.960 4.991 -6.562 107 HG11 VAL 19 1HG1 VAL 19 2.435 7.915 -6.686 108 HG12 VAL 19 2HG1 VAL 19 0.941 7.408 -5.860 109 HG13 VAL 19 3HG1 VAL 19 2.517 6.792 -5.307 110 HG21 VAL 19 1HG2 VAL 19 -0.118 4.966 -7.373 111 HG22 VAL 19 2HG2 VAL 19 -0.147 6.743 -7.482 112 HG23 VAL 19 3HG2 VAL 19 0.489 5.778 -8.836 113 H VAL 20 H VAL 20 4.099 8.244 -8.076 114 HA VAL 20 HA VAL 20 6.454 7.023 -6.810 115 HB VAL 20 HB VAL 20 6.258 9.201 -8.893 116 HG11 VAL 20 1HG1 VAL 20 7.907 9.626 -6.949 117 HG12 VAL 20 2HG1 VAL 20 8.844 8.277 -7.637 118 HG13 VAL 20 3HG1 VAL 20 8.525 9.730 -8.616 119 HG21 VAL 20 1HG2 VAL 20 8.198 7.127 -9.406 120 HG22 VAL 20 2HG2 VAL 20 6.605 6.404 -9.080 121 HG23 VAL 20 3HG2 VAL 20 6.785 7.616 -10.371 122 H LEU 21 H LEU 21 6.138 7.498 -4.667 123 HA LEU 21 HA LEU 21 5.159 10.157 -4.004 124 HB2 LEU 21 1HB LEU 21 5.672 7.732 -2.277 125 HB3 LEU 21 2HB LEU 21 4.988 9.248 -1.727 126 HG LEU 21 HG LEU 21 3.751 7.255 -3.637 127 HD11 LEU 21 1HD1 LEU 21 2.053 6.988 -1.962 128 HD12 LEU 21 2HD1 LEU 21 3.645 6.768 -1.195 129 HD13 LEU 21 3HD1 LEU 21 2.753 8.292 -0.972 130 HD21 LEU 21 1HD2 LEU 21 2.679 9.985 -2.872 131 HD22 LEU 21 2HD2 LEU 21 3.319 9.521 -4.467 132 HD23 LEU 21 3HD2 LEU 21 1.839 8.753 -3.844 133 H CYS 22 H CYS 22 6.342 11.658 -2.751 134 HA CYS 22 HA CYS 22 9.163 10.958 -2.408 135 HB2 CYS 22 1HB CYS 22 8.457 13.777 -3.120 136 HB3 CYS 22 2HB CYS 22 9.935 12.882 -3.412 137 HG CYS 22 HG CYS 22 7.636 13.534 -5.321 138 H GLY 23 H GLY 23 9.519 10.965 -0.215 139 HA2 GLY 23 1HA GLY 23 8.393 13.187 1.349 140 HA3 GLY 23 2HA GLY 23 8.084 11.539 1.857 141 H ASP 24 H ASP 24 9.313 12.693 3.802 142 HA ASP 24 HA ASP 24 12.164 12.599 3.358 143 HB2 ASP 24 1HB ASP 24 10.318 13.738 5.434 144 HB3 ASP 24 2HB ASP 24 11.897 13.231 6.001 145 HA PRO 25 HA PRO 25 12.541 8.835 5.580 146 HB2 PRO 25 1HB PRO 25 14.888 9.101 6.953 147 HB3 PRO 25 2HB PRO 25 14.816 8.719 5.244 148 HG2 PRO 25 1HG PRO 25 15.520 11.280 6.542 149 HG3 PRO 25 2HG PRO 25 15.844 10.755 4.902 150 HD2 PRO 25 1HD PRO 25 13.815 12.599 5.744 151 HD3 PRO 25 2HD PRO 25 14.065 11.985 4.122 152 H LEU 26 H LEU 26 12.197 11.711 7.301 153 HA LEU 26 HA LEU 26 11.834 10.243 9.796 154 HB2 LEU 26 1HB LEU 26 12.534 12.990 9.031 155 HB3 LEU 26 2HB LEU 26 11.372 12.889 10.339 156 HG LEU 26 HG LEU 26 13.736 11.118 10.599 157 HD11 LEU 26 1HD1 LEU 26 15.247 12.685 10.110 158 HD12 LEU 26 2HD1 LEU 26 14.030 13.983 10.086 159 HD13 LEU 26 3HD1 LEU 26 14.748 13.465 11.630 160 HD21 LEU 26 1HD2 LEU 26 11.891 12.674 12.339 161 HD22 LEU 26 2HD2 LEU 26 12.515 11.015 12.508 162 HD23 LEU 26 3HD2 LEU 26 13.546 12.402 12.934 163 H SER 27 H SER 27 10.102 12.510 7.561 164 HA SER 27 HA SER 27 7.665 11.998 8.968 165 HB2 SER 27 1HB SER 27 8.656 14.091 7.378 166 HB3 SER 27 2HB SER 27 7.421 13.362 6.371 167 HG SER 27 HG SER 27 6.767 13.805 9.108 168 H GLY 28 H GLY 28 9.434 10.080 7.039 169 HA2 GLY 28 1HA GLY 28 9.046 8.475 5.498 170 HA3 GLY 28 2HA GLY 28 7.568 8.224 6.405 171 H PHE 29 H PHE 29 5.824 8.099 5.066 172 HA PHE 29 HA PHE 29 5.707 10.064 2.889 173 HB2 PHE 29 1HB PHE 29 5.026 7.078 3.056 174 HB3 PHE 29 2HB PHE 29 4.342 8.079 1.792 175 HD1 PHE 29 1HD PHE 29 6.370 9.690 0.736 176 HD2 PHE 29 2HD PHE 29 6.760 5.771 2.315 177 HE1 PHE 29 1HE PHE 29 8.425 9.332 -0.661 178 HE2 PHE 29 2HE PHE 29 8.815 5.412 0.919 179 HZ PHE 29 HZ PHE 29 9.623 7.197 -0.552 180 H GLY 30 H GLY 30 3.331 7.534 3.805 181 HA2 GLY 30 1HA GLY 30 1.680 8.554 5.574 182 HA3 GLY 30 2HA GLY 30 1.350 9.643 4.241 183 H LEU 31 H LEU 31 1.680 6.090 4.936 184 HA LEU 31 HA LEU 31 -0.871 5.571 3.812 185 HB2 LEU 31 1HB LEU 31 -0.397 4.597 1.809 186 HB3 LEU 31 2HB LEU 31 0.725 5.942 1.813 187 HG LEU 31 HG LEU 31 2.212 3.897 2.953 188 HD11 LEU 31 1HD1 LEU 31 1.719 1.875 2.115 189 HD12 LEU 31 2HD1 LEU 31 0.087 2.553 1.902 190 HD13 LEU 31 3HD1 LEU 31 1.227 2.531 0.535 191 HD21 LEU 31 1HD2 LEU 31 2.059 5.004 0.149 192 HD22 LEU 31 2HD2 LEU 31 3.208 5.403 1.450 193 HD23 LEU 31 3HD2 LEU 31 3.292 3.819 0.642 194 H GLN 32 H GLN 32 -1.641 3.556 4.493 195 HA GLN 32 HA GLN 32 0.307 2.048 6.057 196 HB2 GLN 32 1HB GLN 32 -2.367 3.098 6.736 197 HB3 GLN 32 2HB GLN 32 -2.204 1.390 7.093 198 HG2 GLN 32 1HG GLN 32 0.113 3.109 7.898 199 HG3 GLN 32 2HG GLN 32 -1.375 3.379 8.783 200 HE21 GLN 32 1HE2 GLN 32 -2.235 1.804 10.086 201 HE22 GLN 32 2HE2 GLN 32 -1.378 0.378 10.569 202 H LEU 33 H LEU 33 0.508 -0.136 5.614 203 HA LEU 33 HA LEU 33 -1.159 -1.126 3.441 204 HB2 LEU 33 1HB LEU 33 1.507 -1.878 4.590 205 HB3 LEU 33 2HB LEU 33 0.608 -3.030 3.623 206 HG LEU 33 HG LEU 33 1.561 -0.294 2.733 207 HD11 LEU 33 1HD1 LEU 33 3.012 -1.562 1.202 208 HD12 LEU 33 2HD1 LEU 33 3.371 -1.904 2.912 209 HD13 LEU 33 3HD1 LEU 33 2.453 -3.081 1.943 210 HD21 LEU 33 1HD2 LEU 33 -0.164 -2.344 1.341 211 HD22 LEU 33 2HD2 LEU 33 -0.475 -0.611 1.600 212 HD23 LEU 33 3HD2 LEU 33 0.784 -1.127 0.453 213 H GLN 34 H GLN 34 -2.151 -3.267 3.565 214 HA GLN 34 HA GLN 34 -2.470 -4.230 6.278 215 HB2 GLN 34 1HB GLN 34 -4.458 -3.040 6.271 216 HB3 GLN 34 2HB GLN 34 -4.618 -3.094 4.526 217 HG2 GLN 34 1HG GLN 34 -5.569 -5.248 4.534 218 HG3 GLN 34 2HG GLN 34 -4.830 -5.687 6.061 219 HE21 GLN 34 1HE2 GLN 34 -7.424 -4.008 4.471 220 HE22 GLN 34 2HE2 GLN 34 -8.445 -3.750 5.847 221 H GLY 35 H GLY 35 -1.801 -6.329 6.191 222 HA2 GLY 35 1HA GLY 35 -2.957 -8.092 4.198 223 HA3 GLY 35 2HA GLY 35 -1.225 -7.860 4.073 224 H GLY 36 H GLY 36 -3.085 -10.197 4.972 225 HA2 GLY 36 1HA GLY 36 -3.211 -11.731 6.638 226 HA3 GLY 36 2HA GLY 36 -1.464 -11.598 6.581 227 H ILE 37 H ILE 37 -1.545 -12.173 8.918 228 HA ILE 37 HA ILE 37 -2.104 -9.776 10.520 229 HB ILE 37 HB ILE 37 -3.748 -10.978 11.415 230 HG12 ILE 37 1HG1 ILE 37 -1.821 -12.804 12.782 231 HG13 ILE 37 2HG1 ILE 37 -1.591 -11.080 12.997 232 HG21 ILE 37 1HG2 ILE 37 -3.945 -13.451 11.282 233 HG22 ILE 37 2HG2 ILE 37 -3.774 -12.662 9.696 234 HG23 ILE 37 3HG2 ILE 37 -2.383 -13.497 10.430 235 HD11 ILE 37 1HD1 ILE 37 -3.094 -11.453 14.717 236 HD12 ILE 37 2HD1 ILE 37 -4.259 -11.153 13.406 237 HD13 ILE 37 3HD1 ILE 37 -3.869 -12.822 13.884 238 H PHE 38 H PHE 38 -0.615 -13.008 11.195 239 HA PHE 38 HA PHE 38 1.397 -12.050 12.771 240 HB2 PHE 38 1HB PHE 38 1.426 -14.377 10.756 241 HB3 PHE 38 2HB PHE 38 2.472 -14.262 12.158 242 HD1 PHE 38 1HD PHE 38 1.553 -14.567 14.421 243 HD2 PHE 38 2HD PHE 38 -0.871 -15.061 10.974 244 HE1 PHE 38 1HE PHE 38 -0.163 -15.773 15.800 245 HE2 PHE 38 2HE PHE 38 -2.587 -16.266 12.353 246 HZ PHE 38 HZ PHE 38 -2.212 -16.608 14.750 247 H ALA 39 H ALA 39 3.281 -10.945 12.459 248 HA ALA 39 HA ALA 39 3.884 -9.784 10.024 249 HB1 ALA 39 1HB ALA 39 4.605 -9.074 12.344 250 HB2 ALA 39 2HB ALA 39 5.821 -10.373 12.295 251 HB3 ALA 39 3HB ALA 39 5.897 -9.036 11.121 252 H THR 40 H THR 40 5.085 -12.816 11.562 253 HA THR 40 HA THR 40 7.018 -13.335 9.554 254 HB THR 40 HB THR 40 6.918 -15.644 10.680 255 HG1 THR 40 1HG THR 40 5.389 -15.691 12.474 256 HG21 THR 40 1HG2 THR 40 8.463 -14.411 11.915 257 HG22 THR 40 2HG2 THR 40 7.348 -13.039 12.122 258 HG23 THR 40 3HG2 THR 40 7.170 -14.492 13.136 259 H GLU 41 H GLU 41 6.589 -15.966 8.761 260 HA GLU 41 HA GLU 41 5.489 -17.242 7.366 261 HB2 GLU 41 1HB GLU 41 3.120 -15.344 7.293 262 HB3 GLU 41 2HB GLU 41 3.132 -17.067 6.974 263 HG2 GLU 41 1HG GLU 41 4.205 -16.713 9.611 264 HG3 GLU 41 2HG GLU 41 2.783 -15.695 9.508 265 H THR 42 H THR 42 3.503 -15.999 5.305 266 HA THR 42 HA THR 42 5.281 -14.203 3.865 267 HB THR 42 HB THR 42 4.396 -16.950 2.835 268 HG1 THR 42 1HG THR 42 6.485 -17.395 3.438 269 HG21 THR 42 1HG2 THR 42 6.001 -14.703 1.504 270 HG22 THR 42 2HG2 THR 42 5.821 -16.351 0.855 271 HG23 THR 42 3HG2 THR 42 4.402 -15.284 0.982 272 H LEU 43 H LEU 43 4.229 -13.116 2.062 273 HA LEU 43 HA LEU 43 1.386 -12.852 2.635 274 HB2 LEU 43 1HB LEU 43 3.428 -11.134 1.251 275 HB3 LEU 43 2HB LEU 43 1.711 -10.835 1.069 276 HG LEU 43 HG LEU 43 3.284 -10.786 3.658 277 HD11 LEU 43 1HD1 LEU 43 2.422 -8.722 1.717 278 HD12 LEU 43 2HD1 LEU 43 2.176 -8.335 3.437 279 HD13 LEU 43 3HD1 LEU 43 3.801 -8.748 2.842 280 HD21 LEU 43 1HD2 LEU 43 1.217 -11.578 4.355 281 HD22 LEU 43 2HD2 LEU 43 1.045 -9.814 4.525 282 HD23 LEU 43 3HD2 LEU 43 0.327 -10.648 3.126 283 H SER 44 H SER 44 -0.015 -14.053 1.478 284 HA SER 44 HA SER 44 0.876 -15.196 -0.978 285 HB2 SER 44 1HB SER 44 -1.466 -15.506 0.859 286 HB3 SER 44 2HB SER 44 -1.756 -15.900 -0.824 287 HG SER 44 HG SER 44 -0.291 -17.286 1.094 288 H SER 45 H SER 45 -0.962 -12.408 0.116 289 HA SER 45 HA SER 45 -1.507 -11.803 -2.674 290 HB2 SER 45 1HB SER 45 -3.464 -12.179 -0.523 291 HB3 SER 45 2HB SER 45 -3.586 -10.572 -1.212 292 HG SER 45 HG SER 45 -4.744 -12.620 -2.221 293 HA PRO 46 HA PRO 46 0.003 -7.867 -1.589 294 HB2 PRO 46 1HB PRO 46 -1.421 -6.140 -3.157 295 HB3 PRO 46 2HB PRO 46 -0.083 -7.100 -3.758 296 HG2 PRO 46 1HG PRO 46 -2.982 -7.491 -4.182 297 HG3 PRO 46 2HG PRO 46 -1.640 -8.156 -5.092 298 HD2 PRO 46 1HD PRO 46 -3.250 -9.532 -3.158 299 HD3 PRO 46 2HD PRO 46 -1.837 -10.160 -3.982 300 HA PRO 47 HA PRO 47 -2.363 -6.264 1.566 301 HB2 PRO 47 1HB PRO 47 -0.636 -4.373 2.521 302 HB3 PRO 47 2HB PRO 47 -0.544 -6.066 2.964 303 HG2 PRO 47 1HG PRO 47 1.186 -4.538 1.118 304 HG3 PRO 47 2HG PRO 47 1.499 -6.078 1.894 305 HD2 PRO 47 1HD PRO 47 0.744 -5.657 -0.841 306 HD3 PRO 47 2HD PRO 47 0.943 -7.199 -0.034 307 H LEU 48 H LEU 48 -3.978 -4.805 1.872 308 HA LEU 48 HA LEU 48 -4.120 -2.844 -0.252 309 HB2 LEU 48 1HB LEU 48 -6.142 -3.450 1.903 310 HB3 LEU 48 2HB LEU 48 -6.402 -2.573 0.408 311 HG LEU 48 HG LEU 48 -5.380 -5.251 -0.105 312 HD11 LEU 48 1HD1 LEU 48 -8.024 -5.088 1.365 313 HD12 LEU 48 2HD1 LEU 48 -7.287 -6.538 0.644 314 HD13 LEU 48 3HD1 LEU 48 -6.512 -5.743 2.036 315 HD21 LEU 48 1HD2 LEU 48 -6.378 -3.906 -1.834 316 HD22 LEU 48 2HD2 LEU 48 -7.394 -5.341 -1.558 317 HD23 LEU 48 3HD2 LEU 48 -7.892 -3.760 -0.908 318 H VAL 49 H VAL 49 -4.916 -0.573 0.360 319 HA VAL 49 HA VAL 49 -3.037 0.470 2.250 320 HB VAL 49 HB VAL 49 -5.099 1.635 0.391 321 HG11 VAL 49 1HG1 VAL 49 -5.267 3.342 1.873 322 HG12 VAL 49 2HG1 VAL 49 -3.750 2.919 2.702 323 HG13 VAL 49 3HG1 VAL 49 -3.705 3.825 1.170 324 HG21 VAL 49 1HG2 VAL 49 -3.324 1.237 -0.965 325 HG22 VAL 49 2HG2 VAL 49 -2.730 2.766 -0.272 326 HG23 VAL 49 3HG2 VAL 49 -2.159 1.211 0.381 327 H CYS 50 H CYS 50 -3.685 -0.435 4.275 328 HA CYS 50 HA CYS 50 -6.161 -0.578 5.312 329 HB2 CYS 50 1HB CYS 50 -3.789 -1.160 6.306 330 HB3 CYS 50 2HB CYS 50 -3.937 0.405 7.081 331 HG CYS 50 HG CYS 50 -4.671 -1.724 8.610 332 H PHE 51 H PHE 51 -3.874 2.224 5.799 333 HA PHE 51 HA PHE 51 -6.193 3.993 5.697 334 HB2 PHE 51 1HB PHE 51 -5.842 3.726 8.072 335 HB3 PHE 51 2HB PHE 51 -4.107 3.566 7.882 336 HD1 PHE 51 1HD PHE 51 -2.692 5.537 7.655 337 HD2 PHE 51 2HD PHE 51 -6.890 5.917 8.146 338 HE1 PHE 51 1HE PHE 51 -2.407 7.967 8.214 339 HE2 PHE 51 2HE PHE 51 -6.605 8.347 8.706 340 HZ PHE 51 HZ PHE 51 -4.367 9.343 8.733 341 H ILE 52 H ILE 52 -5.372 6.396 5.680 342 HA ILE 52 HA ILE 52 -2.758 6.590 4.409 343 HB ILE 52 HB ILE 52 -5.381 7.037 3.100 344 HG12 ILE 52 1HG1 ILE 52 -2.697 6.444 1.850 345 HG13 ILE 52 2HG1 ILE 52 -3.647 5.190 2.623 346 HG21 ILE 52 1HG2 ILE 52 -4.139 8.657 1.508 347 HG22 ILE 52 2HG2 ILE 52 -4.810 9.287 3.032 348 HG23 ILE 52 3HG2 ILE 52 -3.067 8.949 2.899 349 HD11 ILE 52 1HD1 ILE 52 -3.921 5.866 -0.002 350 HD12 ILE 52 2HD1 ILE 52 -5.248 5.181 0.968 351 HD13 ILE 52 3HD1 ILE 52 -5.145 6.941 0.717 352 H GLU 53 H GLU 53 -1.749 8.613 4.714 353 HA GLU 53 HA GLU 53 -2.794 10.028 6.941 354 HB2 GLU 53 1HB GLU 53 -0.262 10.005 5.351 355 HB3 GLU 53 2HB GLU 53 -0.643 11.516 6.153 356 HG2 GLU 53 1HG GLU 53 -1.199 9.597 8.122 357 HG3 GLU 53 2HG GLU 53 0.212 8.940 7.318 358 HA PRO 54 HA PRO 54 -4.777 13.180 4.705 359 HB2 PRO 54 1HB PRO 54 -4.985 15.107 6.632 360 HB3 PRO 54 2HB PRO 54 -6.079 13.743 6.519 361 HG2 PRO 54 1HG PRO 54 -3.877 14.197 8.438 362 HG3 PRO 54 2HG PRO 54 -5.226 13.086 8.559 363 HD2 PRO 54 1HD PRO 54 -2.516 12.429 7.889 364 HD3 PRO 54 2HD PRO 54 -3.887 11.338 7.896 365 H ASP 55 H ASP 55 -4.268 14.634 3.175 366 HA ASP 55 HA ASP 55 -3.091 16.115 2.115 367 HB2 ASP 55 1HB ASP 55 -1.793 16.840 4.783 368 HB3 ASP 55 2HB ASP 55 -1.815 17.839 3.343 369 H SER 56 H SER 56 -1.977 13.351 3.234 370 HA SER 56 HA SER 56 0.820 13.753 3.303 371 HB2 SER 56 1HB SER 56 0.889 11.579 3.998 372 HB3 SER 56 2HB SER 56 -0.843 11.775 4.184 373 HG SER 56 HG SER 56 -1.047 10.204 2.756 374 HA PRO 57 HA PRO 57 1.783 13.050 -0.894 375 HB2 PRO 57 1HB PRO 57 3.775 11.180 -0.950 376 HB3 PRO 57 2HB PRO 57 4.049 12.859 -0.530 377 HG2 PRO 57 1HG PRO 57 3.947 10.497 1.245 378 HG3 PRO 57 2HG PRO 57 4.626 12.081 1.563 379 HD2 PRO 57 1HD PRO 57 2.127 11.059 2.531 380 HD3 PRO 57 2HD PRO 57 2.752 12.681 2.752 381 H ALA 58 H ALA 58 1.320 9.968 0.714 382 HA ALA 58 HA ALA 58 0.812 8.506 -1.605 383 HB1 ALA 58 1HB ALA 58 1.007 8.032 1.119 384 HB2 ALA 58 2HB ALA 58 -0.710 7.706 0.785 385 HB3 ALA 58 3HB ALA 58 0.553 6.829 -0.111 386 H GLU 59 H GLU 59 -1.146 10.785 0.285 387 HA GLU 59 HA GLU 59 -3.531 9.955 -1.091 388 HB2 GLU 59 1HB GLU 59 -3.540 10.607 1.342 389 HB3 GLU 59 2HB GLU 59 -3.111 12.242 0.882 390 HG2 GLU 59 1HG GLU 59 -5.463 12.357 1.065 391 HG3 GLU 59 2HG GLU 59 -5.221 12.163 -0.660 392 H ARG 60 H ARG 60 -1.200 12.691 -0.987 393 HA ARG 60 HA ARG 60 -2.532 14.505 -2.463 394 HB2 ARG 60 1HB ARG 60 0.365 13.796 -2.088 395 HB3 ARG 60 2HB ARG 60 0.005 14.875 -3.421 396 HG2 ARG 60 1HG ARG 60 -1.548 15.934 -1.352 397 HG3 ARG 60 2HG ARG 60 -0.116 15.382 -0.506 398 HD2 ARG 60 1HD ARG 60 1.344 16.735 -1.890 399 HD3 ARG 60 2HD ARG 60 0.067 17.063 -3.044 400 HE ARG 60 HE ARG 60 -0.898 18.020 -0.583 401 HH11 ARG 60 2HH2 ARG 60 1.857 18.673 -2.673 402 HH12 ARG 60 1HH2 ARG 60 2.000 20.328 -2.183 403 HH21 ARG 60 2HH1 ARG 60 -0.710 20.203 0.064 404 HH22 ARG 60 1HH1 ARG 60 0.529 21.204 -0.615 405 H CYS 61 H CYS 61 -0.691 11.611 -3.571 406 HA CYS 61 HA CYS 61 -0.752 12.207 -6.292 407 HB2 CYS 61 1HB CYS 61 -0.382 9.673 -4.707 408 HB3 CYS 61 2HB CYS 61 -0.532 9.601 -6.451 409 HG CYS 61 HG CYS 61 1.785 9.946 -6.793 410 H GLY 62 H GLY 62 -3.111 10.890 -3.986 411 HA2 GLY 62 1HA GLY 62 -5.361 10.691 -4.229 412 HA3 GLY 62 2HA GLY 62 -5.232 11.166 -5.911 413 H LEU 63 H LEU 63 -3.450 9.269 -6.973 414 HA LEU 63 HA LEU 63 -4.985 7.230 -7.733 415 HB2 LEU 63 1HB LEU 63 -2.130 7.766 -7.595 416 HB3 LEU 63 2HB LEU 63 -2.476 6.050 -7.500 417 HG LEU 63 HG LEU 63 -2.074 6.664 -9.791 418 HD11 LEU 63 1HD1 LEU 63 -5.061 6.293 -9.651 419 HD12 LEU 63 2HD1 LEU 63 -3.892 5.615 -10.809 420 HD13 LEU 63 3HD1 LEU 63 -3.937 5.013 -9.135 421 HD21 LEU 63 1HD2 LEU 63 -2.863 9.102 -9.348 422 HD22 LEU 63 2HD2 LEU 63 -3.073 8.389 -10.965 423 HD23 LEU 63 3HD2 LEU 63 -4.458 8.492 -9.852 424 H LEU 64 H LEU 64 -2.697 7.016 -4.912 425 HA LEU 64 HA LEU 64 -3.638 4.511 -4.097 426 HB2 LEU 64 1HB LEU 64 -2.014 6.701 -2.869 427 HB3 LEU 64 2HB LEU 64 -2.587 5.392 -1.854 428 HG LEU 64 HG LEU 64 -0.908 5.032 -4.352 429 HD11 LEU 64 1HD1 LEU 64 0.965 5.254 -3.156 430 HD12 LEU 64 2HD1 LEU 64 -0.055 6.070 -1.946 431 HD13 LEU 64 3HD1 LEU 64 0.307 4.335 -1.781 432 HD21 LEU 64 1HD2 LEU 64 -1.236 2.839 -4.197 433 HD22 LEU 64 2HD2 LEU 64 -0.901 2.840 -2.449 434 HD23 LEU 64 3HD2 LEU 64 -2.543 3.192 -3.041 435 H GLN 65 H GLN 65 -4.943 3.959 -2.201 436 HA GLN 65 HA GLN 65 -6.390 5.834 -0.801 437 HB2 GLN 65 1HB GLN 65 -7.594 5.026 -3.409 438 HB3 GLN 65 2HB GLN 65 -8.680 4.969 -2.035 439 HG2 GLN 65 1HG GLN 65 -7.316 7.401 -1.680 440 HG3 GLN 65 2HG GLN 65 -7.532 7.310 -3.417 441 HE21 GLN 65 1HE2 GLN 65 -9.534 7.414 -4.323 442 HE22 GLN 65 2HE2 GLN 65 -10.981 7.808 -3.456 443 H VAL 66 H VAL 66 -8.199 4.750 0.514 444 HA VAL 66 HA VAL 66 -7.253 2.294 1.477 445 HB VAL 66 HB VAL 66 -9.761 3.911 1.888 446 HG11 VAL 66 1HG1 VAL 66 -9.544 2.067 4.005 447 HG12 VAL 66 2HG1 VAL 66 -10.803 2.135 2.749 448 HG13 VAL 66 3HG1 VAL 66 -9.365 1.112 2.513 449 HG21 VAL 66 1HG2 VAL 66 -7.387 3.313 3.686 450 HG22 VAL 66 2HG2 VAL 66 -7.666 4.826 2.791 451 HG23 VAL 66 3HG2 VAL 66 -8.779 4.344 4.094 452 H GLY 67 H GLY 67 -7.585 0.236 0.800 453 HA2 GLY 67 1HA GLY 67 -8.971 -1.500 0.059 454 HA3 GLY 67 2HA GLY 67 -10.002 -0.345 -0.763 455 H ASP 68 H ASP 68 -6.547 0.184 -1.066 456 HA ASP 68 HA ASP 68 -6.759 -0.775 -3.803 457 HB2 ASP 68 1HB ASP 68 -4.729 1.143 -2.565 458 HB3 ASP 68 2HB ASP 68 -4.851 0.749 -4.268 459 H ARG 69 H ARG 69 -5.619 -2.668 -4.245 460 HA ARG 69 HA ARG 69 -3.936 -3.736 -2.249 461 HB2 ARG 69 1HB ARG 69 -5.122 -4.611 -4.828 462 HB3 ARG 69 2HB ARG 69 -3.536 -5.296 -4.535 463 HG2 ARG 69 1HG ARG 69 -4.368 -6.724 -2.980 464 HG3 ARG 69 2HG ARG 69 -5.083 -5.404 -2.076 465 HD2 ARG 69 1HD ARG 69 -7.079 -5.431 -3.551 466 HD3 ARG 69 2HD ARG 69 -6.356 -6.676 -4.548 467 HE ARG 69 HE ARG 69 -6.488 -7.456 -1.739 468 HH11 ARG 69 2HH2 ARG 69 -8.323 -7.284 -4.737 469 HH12 ARG 69 1HH2 ARG 69 -9.419 -8.548 -4.288 470 HH21 ARG 69 2HH1 ARG 69 -7.932 -9.124 -1.147 471 HH22 ARG 69 1HH1 ARG 69 -9.195 -9.602 -2.232 472 H VAL 70 H VAL 70 -1.638 -4.049 -2.327 473 HA VAL 70 HA VAL 70 -0.309 -2.409 -4.368 474 HB VAL 70 HB VAL 70 0.323 -3.051 -1.495 475 HG11 VAL 70 1HG1 VAL 70 2.381 -3.410 -2.802 476 HG12 VAL 70 2HG1 VAL 70 2.207 -1.789 -3.517 477 HG13 VAL 70 3HG1 VAL 70 2.500 -1.964 -1.770 478 HG21 VAL 70 1HG2 VAL 70 -0.683 -0.749 -2.982 479 HG22 VAL 70 2HG2 VAL 70 -0.676 -1.065 -1.230 480 HG23 VAL 70 3HG2 VAL 70 0.754 -0.348 -2.011 481 H LEU 71 H LEU 71 0.149 -3.827 -6.023 482 HA LEU 71 HA LEU 71 0.705 -6.523 -5.678 483 HB2 LEU 71 1HB LEU 71 1.507 -4.630 -7.892 484 HB3 LEU 71 2HB LEU 71 1.617 -6.377 -7.977 485 HG LEU 71 HG LEU 71 -0.890 -4.695 -7.788 486 HD11 LEU 71 1HD1 LEU 71 -1.433 -5.768 -9.940 487 HD12 LEU 71 2HD1 LEU 71 0.069 -4.814 -10.012 488 HD13 LEU 71 3HD1 LEU 71 0.145 -6.590 -9.914 489 HD21 LEU 71 1HD2 LEU 71 -1.446 -6.489 -6.406 490 HD22 LEU 71 2HD2 LEU 71 -2.046 -6.987 -8.006 491 HD23 LEU 71 3HD2 LEU 71 -0.520 -7.657 -7.380 492 H SER 72 H SER 72 3.049 -3.828 -6.377 493 HA SER 72 HA SER 72 4.943 -5.310 -4.744 494 HB2 SER 72 1HB SER 72 6.723 -4.483 -6.463 495 HB3 SER 72 2HB SER 72 5.754 -5.884 -6.874 496 HG SER 72 HG SER 72 4.894 -3.247 -7.641 497 H ILE 73 H ILE 73 6.914 -3.809 -4.185 498 HA ILE 73 HA ILE 73 6.082 -1.009 -4.113 499 HB ILE 73 HB ILE 73 6.933 -2.645 -1.722 500 HG12 ILE 73 1HG1 ILE 73 4.332 -1.167 -2.201 501 HG13 ILE 73 2HG1 ILE 73 4.546 -2.878 -2.514 502 HG21 ILE 73 1HG2 ILE 73 6.067 -0.029 -1.008 503 HG22 ILE 73 2HG2 ILE 73 7.662 -0.782 -0.771 504 HG23 ILE 73 3HG2 ILE 73 7.320 0.128 -2.262 505 HD11 ILE 73 1HD1 ILE 73 5.359 -3.105 -0.083 506 HD12 ILE 73 2HD1 ILE 73 4.780 -1.439 0.159 507 HD13 ILE 73 3HD1 ILE 73 3.634 -2.721 -0.298 508 H ASN 74 H ASN 74 7.646 0.076 -5.175 509 HA ASN 74 HA ASN 74 9.640 0.882 -5.572 510 HB2 ASN 74 1HB ASN 74 10.134 -0.417 -3.113 511 HB3 ASN 74 2HB ASN 74 11.361 -1.080 -4.175 512 HD21 ASN 74 1HD2 ASN 74 11.305 0.909 -1.886 513 HD22 ASN 74 2HD2 ASN 74 12.208 2.277 -2.445 514 H GLY 75 H GLY 75 8.394 -2.101 -6.277 515 HA2 GLY 75 1HA GLY 75 8.892 -2.967 -8.481 516 HA3 GLY 75 2HA GLY 75 10.598 -2.772 -8.132 517 H ILE 76 H ILE 76 9.209 -3.697 -5.221 518 HA ILE 76 HA ILE 76 9.883 -6.498 -5.760 519 HB ILE 76 HB ILE 76 9.868 -4.914 -3.188 520 HG12 ILE 76 1HG1 ILE 76 11.701 -4.524 -4.972 521 HG13 ILE 76 2HG1 ILE 76 12.178 -4.804 -3.309 522 HG21 ILE 76 1HG2 ILE 76 11.072 -7.040 -2.359 523 HG22 ILE 76 2HG2 ILE 76 9.299 -7.066 -2.506 524 HG23 ILE 76 3HG2 ILE 76 10.307 -7.839 -3.753 525 HD11 ILE 76 1HD1 ILE 76 12.755 -7.109 -3.756 526 HD12 ILE 76 2HD1 ILE 76 11.989 -7.050 -5.362 527 HD13 ILE 76 3HD1 ILE 76 13.483 -6.133 -5.055 528 H ALA 77 H ALA 77 8.315 -8.029 -5.711 529 HA ALA 77 HA ALA 77 5.621 -7.198 -5.370 530 HB1 ALA 77 1HB ALA 77 6.013 -8.875 -6.987 531 HB2 ALA 77 2HB ALA 77 7.043 -9.822 -5.886 532 HB3 ALA 77 3HB ALA 77 5.284 -9.756 -5.623 533 H THR 78 H THR 78 4.370 -7.198 -3.557 534 HA THR 78 HA THR 78 5.579 -7.760 -1.053 535 HB THR 78 HB THR 78 3.477 -6.925 -0.193 536 HG1 THR 78 1HG THR 78 2.506 -7.452 -2.910 537 HG21 THR 78 1HG2 THR 78 3.337 -5.644 -2.926 538 HG22 THR 78 2HG2 THR 78 3.222 -4.883 -1.321 539 HG23 THR 78 3HG2 THR 78 4.808 -5.381 -1.958 540 H GLU 79 H GLU 79 3.840 -9.695 -3.394 541 HA GLU 79 HA GLU 79 2.896 -11.581 -1.535 542 HB2 GLU 79 1HB GLU 79 3.417 -11.845 -4.530 543 HB3 GLU 79 2HB GLU 79 2.506 -12.991 -3.568 544 HG2 GLU 79 1HG GLU 79 0.928 -11.106 -2.922 545 HG3 GLU 79 2HG GLU 79 1.795 -10.056 -4.026 546 H ASP 80 H ASP 80 6.027 -10.814 -2.726 547 HA ASP 80 HA ASP 80 6.939 -13.523 -2.187 548 HB2 ASP 80 1HB ASP 80 8.007 -11.213 -3.818 549 HB3 ASP 80 2HB ASP 80 9.153 -12.370 -3.171 550 H GLY 81 H GLY 81 6.220 -12.126 0.094 551 HA2 GLY 81 1HA GLY 81 8.628 -11.960 1.564 552 HA3 GLY 81 2HA GLY 81 8.057 -10.345 1.194 553 H THR 82 H THR 82 7.737 -10.090 3.555 554 HA THR 82 HA THR 82 5.283 -11.444 4.466 555 HB THR 82 HB THR 82 6.386 -10.756 6.780 556 HG1 THR 82 1HG THR 82 8.669 -11.014 4.974 557 HG21 THR 82 1HG2 THR 82 6.524 -13.064 6.647 558 HG22 THR 82 2HG2 THR 82 7.023 -13.026 4.939 559 HG23 THR 82 3HG2 THR 82 8.221 -12.735 6.223 560 H MET 83 H MET 83 4.252 -10.017 6.356 561 HA MET 83 HA MET 83 3.273 -7.781 5.026 562 HB2 MET 83 1HB MET 83 2.201 -9.230 6.902 563 HB3 MET 83 2HB MET 83 3.178 -8.325 8.040 564 HG2 MET 83 1HG MET 83 0.917 -7.331 7.864 565 HG3 MET 83 2HG MET 83 2.125 -6.198 7.293 566 HE1 MET 83 1HE MET 83 1.026 -5.283 3.936 567 HE2 MET 83 2HE MET 83 0.765 -4.695 5.595 568 HE3 MET 83 3HE MET 83 2.366 -5.300 5.106 569 H GLU 84 H GLU 84 5.668 -8.169 7.704 570 HA GLU 84 HA GLU 84 5.946 -5.455 8.205 571 HB2 GLU 84 1HB GLU 84 7.173 -7.943 9.045 572 HB3 GLU 84 2HB GLU 84 8.434 -6.764 8.741 573 HG2 GLU 84 1HG GLU 84 6.753 -5.153 10.105 574 HG3 GLU 84 2HG GLU 84 6.200 -6.681 10.762 575 H GLU 85 H GLU 85 7.939 -7.722 6.178 576 HA GLU 85 HA GLU 85 9.842 -6.035 5.349 577 HB2 GLU 85 1HB GLU 85 8.413 -8.339 4.047 578 HB3 GLU 85 2HB GLU 85 9.501 -7.395 3.049 579 HG2 GLU 85 1HG GLU 85 10.787 -7.907 5.600 580 HG3 GLU 85 2HG GLU 85 10.179 -9.422 4.962 581 H ALA 86 H ALA 86 6.559 -6.431 3.850 582 HA ALA 86 HA ALA 86 6.831 -4.666 1.779 583 HB1 ALA 86 1HB ALA 86 4.636 -5.130 1.522 584 HB2 ALA 86 2HB ALA 86 4.811 -6.174 2.953 585 HB3 ALA 86 3HB ALA 86 4.231 -4.501 3.137 586 H ASN 87 H ASN 87 6.020 -4.014 5.238 587 HA ASN 87 HA ASN 87 5.597 -1.285 4.822 588 HB2 ASN 87 1HB ASN 87 5.966 -3.127 7.162 589 HB3 ASN 87 2HB ASN 87 6.336 -1.443 7.474 590 HD21 ASN 87 1HD2 ASN 87 3.926 -3.793 7.045 591 HD22 ASN 87 2HD2 ASN 87 2.519 -2.785 7.124 592 H GLN 88 H GLN 88 8.411 -3.348 5.731 593 HA GLN 88 HA GLN 88 10.109 -1.258 6.432 594 HB2 GLN 88 1HB GLN 88 10.583 -3.540 7.122 595 HB3 GLN 88 2HB GLN 88 10.652 -4.093 5.461 596 HG2 GLN 88 1HG GLN 88 12.888 -3.707 5.525 597 HG3 GLN 88 2HG GLN 88 12.519 -1.994 5.518 598 HE21 GLN 88 1HE2 GLN 88 13.275 -0.831 7.108 599 HE22 GLN 88 2HE2 GLN 88 13.746 -1.381 8.681 600 H LEU 89 H LEU 89 9.393 -2.913 3.321 601 HA LEU 89 HA LEU 89 11.468 -1.853 1.826 602 HB2 LEU 89 1HB LEU 89 8.710 -2.845 1.190 603 HB3 LEU 89 2HB LEU 89 9.710 -2.146 -0.068 604 HG LEU 89 HG LEU 89 10.499 -4.516 1.649 605 HD11 LEU 89 1HD1 LEU 89 8.866 -5.467 0.368 606 HD12 LEU 89 2HD1 LEU 89 9.074 -4.309 -0.968 607 HD13 LEU 89 3HD1 LEU 89 10.250 -5.626 -0.739 608 HD21 LEU 89 1HD2 LEU 89 12.518 -3.597 0.993 609 HD22 LEU 89 2HD2 LEU 89 12.187 -4.756 -0.317 610 HD23 LEU 89 3HD2 LEU 89 11.875 -3.022 -0.564 611 H LEU 90 H LEU 90 8.365 -0.448 2.900 612 HA LEU 90 HA LEU 90 8.523 1.801 1.184 613 HB2 LEU 90 1HB LEU 90 6.770 0.741 3.241 614 HB3 LEU 90 2HB LEU 90 6.966 2.475 3.398 615 HG LEU 90 HG LEU 90 5.875 0.922 1.050 616 HD11 LEU 90 1HD1 LEU 90 4.516 3.316 2.151 617 HD12 LEU 90 2HD1 LEU 90 3.850 1.765 1.588 618 HD13 LEU 90 3HD1 LEU 90 4.581 1.885 3.207 619 HD21 LEU 90 1HD2 LEU 90 7.071 3.665 1.091 620 HD22 LEU 90 2HD2 LEU 90 7.118 2.411 -0.171 621 HD23 LEU 90 3HD2 LEU 90 5.635 3.361 0.084 622 H ARG 91 H ARG 91 9.798 0.954 4.403 623 HA ARG 91 HA ARG 91 10.376 3.519 5.225 624 HB2 ARG 91 1HB ARG 91 10.766 0.892 6.187 625 HB3 ARG 91 2HB ARG 91 12.393 1.528 6.052 626 HG2 ARG 91 1HG ARG 91 11.430 3.653 7.268 627 HG3 ARG 91 2HG ARG 91 10.082 2.618 7.695 628 HD2 ARG 91 1HD ARG 91 11.317 1.409 9.214 629 HD3 ARG 91 2HD ARG 91 12.735 1.371 8.186 630 HE ARG 91 HE ARG 91 13.508 3.373 9.173 631 HH11 ARG 91 2HH2 ARG 91 10.198 2.721 10.174 632 HH12 ARG 91 1HH2 ARG 91 10.197 3.935 11.409 633 HH21 ARG 91 2HH1 ARG 91 13.507 4.975 10.802 634 HH22 ARG 91 1HH1 ARG 91 12.092 5.226 11.769 635 H ASP 92 H ASP 92 12.732 1.025 3.980 636 HA ASP 92 HA ASP 92 14.877 2.568 3.695 637 HB2 ASP 92 1HB ASP 92 14.604 0.094 3.126 638 HB3 ASP 92 2HB ASP 92 13.939 0.577 1.578 639 H ALA 93 H ALA 93 12.059 2.260 1.449 640 HA ALA 93 HA ALA 93 13.065 3.747 -0.668 641 HB1 ALA 93 1HB ALA 93 10.159 3.884 0.089 642 HB2 ALA 93 2HB ALA 93 10.909 3.599 -1.500 643 HB3 ALA 93 3HB ALA 93 10.868 2.295 -0.289 644 H ALA 94 H ALA 94 11.387 4.728 2.368 645 HA ALA 94 HA ALA 94 11.023 7.404 1.718 646 HB1 ALA 94 1HB ALA 94 10.611 5.679 3.911 647 HB2 ALA 94 2HB ALA 94 11.650 6.986 4.527 648 HB3 ALA 94 3HB ALA 94 10.090 7.374 3.763 649 H LEU 95 H LEU 95 13.870 5.584 2.895 650 HA LEU 95 HA LEU 95 15.384 7.899 3.510 651 HB2 LEU 95 1HB LEU 95 16.415 5.138 2.875 652 HB3 LEU 95 2HB LEU 95 17.206 6.391 3.810 653 HG LEU 95 HG LEU 95 14.688 4.910 4.620 654 HD11 LEU 95 1HD1 LEU 95 16.640 4.371 6.495 655 HD12 LEU 95 2HD1 LEU 95 16.105 3.285 5.190 656 HD13 LEU 95 3HD1 LEU 95 17.532 4.323 4.955 657 HD21 LEU 95 1HD2 LEU 95 15.502 6.048 6.898 658 HD22 LEU 95 2HD2 LEU 95 16.095 7.274 5.751 659 HD23 LEU 95 3HD2 LEU 95 14.369 6.837 5.774 660 H ALA 96 H ALA 96 14.323 6.476 0.572 661 HA ALA 96 HA ALA 96 16.626 7.447 -0.918 662 HB1 ALA 96 1HB ALA 96 14.810 6.500 -2.753 663 HB2 ALA 96 2HB ALA 96 16.068 5.514 -1.970 664 HB3 ALA 96 3HB ALA 96 14.411 5.525 -1.319 665 H HIS 97 H HIS 97 13.455 8.420 0.157 666 HA HIS 97 HA HIS 97 12.458 10.385 -0.036 667 HB2 HIS 97 1HB HIS 97 14.426 11.265 -2.151 668 HB3 HIS 97 2HB HIS 97 13.435 12.266 -1.109 669 HD1 HIS 97 1HD HIS 97 16.380 12.870 -1.096 670 HD2 HIS 97 2HD HIS 97 14.663 10.032 1.471 671 HE1 HIS 97 1HE HIS 97 17.987 12.621 0.871 672 H LYS 98 H LYS 98 12.616 7.908 -2.118 673 HA LYS 98 HA LYS 98 10.337 8.866 -3.593 674 HB2 LYS 98 1HB LYS 98 12.046 9.682 -5.065 675 HB3 LYS 98 2HB LYS 98 12.934 8.174 -4.986 676 HG2 LYS 98 1HG LYS 98 10.293 7.465 -5.793 677 HG3 LYS 98 2HG LYS 98 10.699 8.897 -6.718 678 HD2 LYS 98 1HD LYS 98 12.877 7.797 -7.388 679 HD3 LYS 98 2HD LYS 98 12.376 6.349 -6.538 680 HE2 LYS 98 1HE LYS 98 10.652 5.867 -8.080 681 HE3 LYS 98 2HE LYS 98 10.510 7.533 -8.605 682 HZ1 LYS 98 1HZ LYS 98 12.051 5.535 -9.725 683 HZ2 LYS 98 2HZ LYS 98 11.930 7.091 -10.206 684 HZ3 LYS 98 3HZ LYS 98 13.091 6.652 -9.144 685 H VAL 99 H VAL 99 8.928 7.193 -4.082 686 HA VAL 99 HA VAL 99 9.951 4.478 -3.798 687 HB VAL 99 HB VAL 99 9.171 5.238 -1.574 688 HG11 VAL 99 1HG1 VAL 99 6.319 5.151 -2.429 689 HG12 VAL 99 2HG1 VAL 99 7.105 6.092 -1.139 690 HG13 VAL 99 3HG1 VAL 99 7.238 6.621 -2.833 691 HG21 VAL 99 1HG2 VAL 99 8.703 3.087 -1.226 692 HG22 VAL 99 2HG2 VAL 99 7.097 3.290 -1.966 693 HG23 VAL 99 3HG2 VAL 99 8.496 2.863 -2.980 694 H VAL 100 H VAL 100 8.806 2.953 -5.046 695 HA VAL 100 HA VAL 100 6.800 4.172 -6.813 696 HB VAL 100 HB VAL 100 8.899 2.055 -7.258 697 HG11 VAL 100 1HG1 VAL 100 6.266 2.271 -8.492 698 HG12 VAL 100 2HG1 VAL 100 7.577 2.422 -9.687 699 HG13 VAL 100 3HG1 VAL 100 7.493 0.989 -8.634 700 HG21 VAL 100 1HG2 VAL 100 9.021 4.761 -7.593 701 HG22 VAL 100 2HG2 VAL 100 9.983 3.583 -8.518 702 HG23 VAL 100 3HG2 VAL 100 8.478 4.239 -9.206 703 H LEU 101 H LEU 101 4.759 3.355 -6.762 704 HA LEU 101 HA LEU 101 4.433 0.778 -5.388 705 HB2 LEU 101 1HB LEU 101 2.314 2.888 -5.358 706 HB3 LEU 101 2HB LEU 101 2.567 1.543 -4.264 707 HG LEU 101 HG LEU 101 3.048 3.600 -3.119 708 HD11 LEU 101 1HD1 LEU 101 5.782 2.470 -3.666 709 HD12 LEU 101 2HD1 LEU 101 5.074 3.037 -2.134 710 HD13 LEU 101 3HD1 LEU 101 4.535 1.498 -2.848 711 HD21 LEU 101 1HD2 LEU 101 5.367 4.313 -4.852 712 HD22 LEU 101 2HD2 LEU 101 3.733 4.694 -5.446 713 HD23 LEU 101 3HD2 LEU 101 4.287 5.348 -3.886 714 H GLU 102 H GLU 102 2.878 -0.673 -6.252 715 HA GLU 102 HA GLU 102 1.888 0.148 -8.870 716 HB2 GLU 102 1HB GLU 102 3.774 -1.386 -9.189 717 HB3 GLU 102 2HB GLU 102 3.080 -2.542 -8.070 718 HG2 GLU 102 1HG GLU 102 1.528 -3.311 -9.600 719 HG3 GLU 102 2HG GLU 102 1.281 -1.728 -10.311 720 H VAL 103 H VAL 103 -0.314 0.192 -8.867 721 HA VAL 103 HA VAL 103 -1.677 -1.551 -6.948 722 HB VAL 103 HB VAL 103 -2.906 0.748 -8.444 723 HG11 VAL 103 1HG1 VAL 103 -3.476 -0.630 -5.802 724 HG12 VAL 103 2HG1 VAL 103 -4.282 0.863 -6.339 725 HG13 VAL 103 3HG1 VAL 103 -4.476 -0.639 -7.274 726 HG21 VAL 103 1HG2 VAL 103 -2.324 1.947 -6.123 727 HG22 VAL 103 2HG2 VAL 103 -0.919 0.859 -6.219 728 HG23 VAL 103 3HG2 VAL 103 -1.239 2.016 -7.533 729 H GLU 104 H GLU 104 -3.700 -2.617 -7.679 730 HA GLU 104 HA GLU 104 -3.578 -3.147 -10.545 731 HB2 GLU 104 1HB GLU 104 -2.839 -4.992 -8.746 732 HB3 GLU 104 2HB GLU 104 -4.568 -5.256 -8.634 733 HG2 GLU 104 1HG GLU 104 -4.707 -5.646 -11.075 734 HG3 GLU 104 2HG GLU 104 -3.005 -5.268 -11.260 735 H PHE 105 H PHE 105 -5.413 -2.500 -11.580 736 HA PHE 105 HA PHE 105 -7.965 -3.048 -10.405 737 HB2 PHE 105 1HB PHE 105 -8.617 -0.593 -10.502 738 HB3 PHE 105 2HB PHE 105 -7.368 -0.894 -9.310 739 HD1 PHE 105 2HD PHE 105 -7.673 0.019 -12.921 740 HD2 PHE 105 1HD PHE 105 -5.542 0.512 -9.284 741 HE1 PHE 105 2HE PHE 105 -6.216 1.749 -14.009 742 HE2 PHE 105 1HE PHE 105 -4.086 2.242 -10.372 743 HZ PHE 105 HZ PHE 105 -4.440 2.840 -12.722 744 H ASP 106 H ASP 106 -9.775 -2.229 -11.934 745 HA ASP 106 HA ASP 106 -8.790 -2.677 -14.620 746 HB2 ASP 106 1HB ASP 106 -11.613 -2.726 -13.452 747 HB3 ASP 106 2HB ASP 106 -11.242 -3.052 -15.133 748 H SER 107 H SER 107 -8.575 -0.856 -15.929 749 HA SER 107 HA SER 107 -9.757 1.589 -15.044 750 HB2 SER 107 1HB SER 107 -7.456 1.565 -15.928 751 HB3 SER 107 2HB SER 107 -8.016 0.917 -17.456 752 HG SER 107 HG SER 107 -8.196 3.553 -16.430 753 H GLY 108 H GLY 108 -12.008 0.479 -15.363 754 HA2 GLY 108 1HA GLY 108 -12.972 1.228 -18.037 755 HA3 GLY 108 2HA GLY 108 -13.312 -0.379 -17.427 756 HA PRO 109 HA PRO 109 -16.584 2.393 -15.888 757 HB2 PRO 109 1HB PRO 109 -18.731 1.127 -17.011 758 HB3 PRO 109 2HB PRO 109 -17.937 2.504 -17.749 759 HG2 PRO 109 1HG PRO 109 -17.777 -0.350 -18.502 760 HG3 PRO 109 2HG PRO 109 -17.354 1.061 -19.451 761 HD2 PRO 109 1HD PRO 109 -15.540 -0.724 -18.127 762 HD3 PRO 109 2HD PRO 109 -15.125 0.751 -18.978 763 H SER 110 H SER 110 -17.996 2.166 -14.121 764 HA SER 110 HA SER 110 -18.710 1.197 -12.317 765 HB2 SER 110 1HB SER 110 -18.632 -1.388 -13.937 766 HB3 SER 110 2HB SER 110 -19.448 -1.197 -12.398 767 HG SER 110 HG SER 110 -21.042 -0.864 -13.921 768 H SER 111 H SER 111 -17.127 1.367 -10.749 769 HA SER 111 HA SER 111 -15.258 -0.856 -10.630 770 HB2 SER 111 1HB SER 111 -13.388 0.557 -10.205 771 HB3 SER 111 2HB SER 111 -14.200 1.280 -11.579 772 HG SER 111 HG SER 111 -13.517 2.692 -9.643 773 H GLY 112 H GLY 112 -15.305 -1.832 -8.630 774 HA2 GLY 112 1HA GLY 112 -15.122 -1.532 -6.240 775 HA3 GLY 112 2HA GLY 112 -16.269 -0.212 -6.351 Start of MODEL 16 1 H1 GLY 1 H GLY 1 26.972 -3.188 -39.322 2 HA2 GLY 1 1HA GLY 1 25.524 -5.498 -39.606 3 HA3 GLY 1 2HA GLY 1 25.677 -5.288 -37.873 4 H SER 2 H SER 2 23.239 -5.092 -39.577 5 HA SER 2 HA SER 2 22.130 -2.868 -38.359 6 HB2 SER 2 1HB SER 2 23.280 -2.411 -41.060 7 HB3 SER 2 2HB SER 2 21.611 -1.900 -40.900 8 HG SER 2 HG SER 2 22.558 -0.124 -40.108 9 H SER 3 H SER 3 20.584 -4.522 -37.840 10 HA SER 3 HA SER 3 18.455 -4.697 -39.578 11 HB2 SER 3 1HB SER 3 20.486 -6.541 -40.275 12 HB3 SER 3 2HB SER 3 19.292 -7.497 -39.419 13 HG SER 3 HG SER 3 18.512 -7.516 -41.477 14 H GLY 4 H GLY 4 17.025 -4.452 -37.880 15 HA2 GLY 4 1HA GLY 4 16.273 -6.526 -36.240 16 HA3 GLY 4 2HA GLY 4 17.473 -5.639 -35.322 17 H SER 5 H SER 5 14.180 -5.736 -36.410 18 HA SER 5 HA SER 5 13.743 -3.224 -35.028 19 HB2 SER 5 1HB SER 5 12.047 -2.566 -36.747 20 HB3 SER 5 2HB SER 5 13.678 -2.618 -37.386 21 HG SER 5 HG SER 5 11.565 -3.865 -38.378 22 H SER 6 H SER 6 12.974 -4.458 -33.216 23 HA SER 6 HA SER 6 10.733 -6.207 -33.774 24 HB2 SER 6 1HB SER 6 12.650 -5.863 -31.471 25 HB3 SER 6 2HB SER 6 11.074 -6.555 -31.142 26 HG SER 6 HG SER 6 13.245 -7.613 -32.633 27 H GLY 7 H GLY 7 8.675 -5.931 -32.665 28 HA2 GLY 7 1HA GLY 7 8.034 -3.150 -32.182 29 HA3 GLY 7 2HA GLY 7 6.932 -4.510 -32.256 30 H GLY 8 H GLY 8 5.847 -4.683 -30.342 31 HA2 GLY 8 1HA GLY 8 7.445 -4.827 -27.886 32 HA3 GLY 8 2HA GLY 8 6.163 -3.636 -27.977 33 H GLY 9 H GLY 9 5.510 -5.118 -26.021 34 HA2 GLY 9 1HA GLY 9 4.256 -7.621 -26.811 35 HA3 GLY 9 2HA GLY 9 4.396 -6.953 -25.197 36 H GLN 10 H GLN 10 2.039 -7.996 -26.932 37 HA GLN 10 HA GLN 10 0.399 -5.603 -26.617 38 HB2 GLN 10 1HB GLN 10 0.600 -7.593 -28.797 39 HB3 GLN 10 2HB GLN 10 -1.050 -7.298 -28.284 40 HG2 GLN 10 1HG GLN 10 -0.014 -4.719 -28.368 41 HG3 GLN 10 2HG GLN 10 0.843 -5.490 -29.689 42 HE21 GLN 10 1HE2 GLN 10 -0.161 -4.545 -31.362 43 HE22 GLN 10 2HE2 GLN 10 -1.835 -4.737 -31.767 44 H ILE 11 H ILE 11 -1.893 -6.012 -25.933 45 HA ILE 11 HA ILE 11 -3.382 -6.883 -24.557 46 HB ILE 11 HB ILE 11 -2.089 -9.464 -25.429 47 HG12 ILE 11 1HG1 ILE 11 -4.801 -8.437 -26.237 48 HG13 ILE 11 2HG1 ILE 11 -3.359 -7.857 -27.046 49 HG21 ILE 11 1HG2 ILE 11 -3.066 -10.085 -23.405 50 HG22 ILE 11 2HG2 ILE 11 -4.443 -8.976 -23.614 51 HG23 ILE 11 3HG2 ILE 11 -4.325 -10.446 -24.611 52 HD11 ILE 11 1HD1 ILE 11 -2.732 -10.394 -27.292 53 HD12 ILE 11 2HD1 ILE 11 -4.451 -10.682 -26.932 54 HD13 ILE 11 3HD1 ILE 11 -3.989 -9.719 -28.356 55 H VAL 12 H VAL 12 -3.685 -7.530 -22.327 56 HA VAL 12 HA VAL 12 -1.501 -8.502 -20.811 57 HB VAL 12 HB VAL 12 -0.613 -6.293 -21.162 58 HG11 VAL 12 1HG1 VAL 12 -3.344 -5.485 -21.044 59 HG12 VAL 12 2HG1 VAL 12 -2.471 -4.636 -19.746 60 HG13 VAL 12 3HG1 VAL 12 -1.911 -4.502 -21.430 61 HG21 VAL 12 1HG2 VAL 12 -0.112 -5.756 -18.945 62 HG22 VAL 12 2HG2 VAL 12 -1.738 -6.191 -18.365 63 HG23 VAL 12 3HG2 VAL 12 -0.592 -7.467 -18.846 64 H HIS 13 H HIS 13 -2.141 -8.929 -18.596 65 HA HIS 13 HA HIS 13 -5.031 -9.045 -18.387 66 HB2 HIS 13 1HB HIS 13 -2.937 -10.804 -17.750 67 HB3 HIS 13 2HB HIS 13 -3.553 -10.262 -16.202 68 HD1 HIS 13 1HD HIS 13 -4.041 -13.135 -16.702 69 HD2 HIS 13 2HD HIS 13 -6.670 -10.196 -18.134 70 HE1 HIS 13 1HE HIS 13 -6.275 -14.304 -17.094 71 H THR 14 H THR 14 -6.080 -7.402 -17.396 72 HA THR 14 HA THR 14 -6.565 -5.791 -15.941 73 HB THR 14 HB THR 14 -4.340 -6.759 -14.109 74 HG1 THR 14 1HG THR 14 -5.605 -8.634 -13.796 75 HG21 THR 14 1HG2 THR 14 -7.051 -5.480 -13.870 76 HG22 THR 14 2HG2 THR 14 -6.653 -6.727 -12.663 77 HG23 THR 14 3HG2 THR 14 -5.618 -5.289 -12.832 78 H GLU 15 H GLU 15 -5.627 -3.793 -14.756 79 HA GLU 15 HA GLU 15 -3.357 -2.920 -16.367 80 HB2 GLU 15 1HB GLU 15 -5.848 -1.475 -15.430 81 HB3 GLU 15 2HB GLU 15 -4.399 -0.563 -15.804 82 HG2 GLU 15 1HG GLU 15 -4.631 -2.331 -17.977 83 HG3 GLU 15 2HG GLU 15 -6.293 -1.897 -17.631 84 H THR 16 H THR 16 -1.735 -1.576 -15.337 85 HA THR 16 HA THR 16 -1.929 -1.455 -12.410 86 HB THR 16 HB THR 16 0.636 -2.110 -12.591 87 HG1 THR 16 1HG THR 16 -0.677 -3.186 -14.989 88 HG21 THR 16 1HG2 THR 16 -1.794 -3.743 -12.429 89 HG22 THR 16 2HG2 THR 16 -0.499 -4.627 -13.270 90 HG23 THR 16 3HG2 THR 16 -0.225 -3.998 -11.628 91 H THR 17 H THR 17 -1.173 0.394 -11.480 92 HA THR 17 HA THR 17 -0.007 2.343 -13.359 93 HB THR 17 HB THR 17 -2.443 2.642 -12.407 94 HG1 THR 17 1HG THR 17 -1.757 4.981 -12.080 95 HG21 THR 17 1HG2 THR 17 -2.439 3.880 -10.231 96 HG22 THR 17 2HG2 THR 17 -1.911 2.195 -10.006 97 HG23 THR 17 3HG2 THR 17 -0.710 3.509 -10.032 98 H GLU 18 H GLU 18 1.778 3.532 -12.745 99 HA GLU 18 HA GLU 18 3.035 2.498 -10.334 100 HB2 GLU 18 1HB GLU 18 4.295 2.129 -12.420 101 HB3 GLU 18 2HB GLU 18 4.240 3.840 -12.793 102 HG2 GLU 18 1HG GLU 18 5.716 4.411 -11.013 103 HG3 GLU 18 2HG GLU 18 5.428 2.907 -10.162 104 H VAL 19 H VAL 19 3.135 3.816 -8.568 105 HA VAL 19 HA VAL 19 2.737 6.683 -9.047 106 HB VAL 19 HB VAL 19 2.167 4.912 -6.667 107 HG11 VAL 19 1HG1 VAL 19 1.204 6.979 -5.628 108 HG12 VAL 19 2HG1 VAL 19 2.976 7.006 -5.796 109 HG13 VAL 19 3HG1 VAL 19 1.961 7.928 -6.930 110 HG21 VAL 19 1HG2 VAL 19 -0.116 6.357 -7.391 111 HG22 VAL 19 2HG2 VAL 19 0.604 5.845 -8.936 112 HG23 VAL 19 3HG2 VAL 19 0.203 4.632 -7.697 113 H VAL 20 H VAL 20 3.988 8.189 -7.668 114 HA VAL 20 HA VAL 20 6.496 6.990 -6.731 115 HB VAL 20 HB VAL 20 6.107 9.389 -8.523 116 HG11 VAL 20 1HG1 VAL 20 7.982 9.168 -6.442 117 HG12 VAL 20 2HG1 VAL 20 8.879 8.777 -7.929 118 HG13 VAL 20 3HG1 VAL 20 8.002 10.321 -7.799 119 HG21 VAL 20 1HG2 VAL 20 6.938 6.617 -8.919 120 HG22 VAL 20 2HG2 VAL 20 6.476 7.855 -10.111 121 HG23 VAL 20 3HG2 VAL 20 8.150 7.778 -9.512 122 H LEU 21 H LEU 21 6.055 7.132 -4.540 123 HA LEU 21 HA LEU 21 4.918 9.585 -3.519 124 HB2 LEU 21 1HB LEU 21 5.255 6.825 -2.630 125 HB3 LEU 21 2HB LEU 21 5.629 7.990 -1.375 126 HG LEU 21 HG LEU 21 3.456 8.864 -1.344 127 HD11 LEU 21 1HD1 LEU 21 3.408 8.052 -4.152 128 HD12 LEU 21 2HD1 LEU 21 1.886 7.705 -3.297 129 HD13 LEU 21 3HD1 LEU 21 2.539 9.361 -3.316 130 HD21 LEU 21 1HD2 LEU 21 3.495 5.880 -1.677 131 HD22 LEU 21 2HD2 LEU 21 3.278 6.861 -0.207 132 HD23 LEU 21 3HD2 LEU 21 1.958 6.733 -1.395 133 H CYS 22 H CYS 22 6.007 11.194 -2.433 134 HA CYS 22 HA CYS 22 8.896 10.767 -2.180 135 HB2 CYS 22 1HB CYS 22 8.726 12.337 -3.909 136 HB3 CYS 22 2HB CYS 22 7.359 13.157 -3.181 137 HG CYS 22 HG CYS 22 10.406 13.743 -3.030 138 H GLY 23 H GLY 23 9.857 11.568 -0.222 139 HA2 GLY 23 1HA GLY 23 8.496 13.163 1.661 140 HA3 GLY 23 2HA GLY 23 8.271 11.475 2.077 141 H ASP 24 H ASP 24 9.575 12.539 4.021 142 HA ASP 24 HA ASP 24 12.407 12.452 3.390 143 HB2 ASP 24 1HB ASP 24 10.711 13.843 5.388 144 HB3 ASP 24 2HB ASP 24 12.162 13.150 6.084 145 HA PRO 25 HA PRO 25 12.841 8.805 5.792 146 HB2 PRO 25 1HB PRO 25 15.184 9.133 7.160 147 HB3 PRO 25 2HB PRO 25 15.117 8.690 5.465 148 HG2 PRO 25 1HG PRO 25 15.804 11.299 6.673 149 HG3 PRO 25 2HG PRO 25 16.135 10.718 5.053 150 HD2 PRO 25 1HD PRO 25 14.093 12.579 5.825 151 HD3 PRO 25 2HD PRO 25 14.350 11.909 4.226 152 H LEU 26 H LEU 26 12.431 11.729 7.392 153 HA LEU 26 HA LEU 26 11.976 10.295 9.907 154 HB2 LEU 26 1HB LEU 26 13.022 12.933 9.200 155 HB3 LEU 26 2HB LEU 26 11.779 12.995 10.435 156 HG LEU 26 HG LEU 26 14.221 11.212 10.610 157 HD11 LEU 26 1HD1 LEU 26 15.461 12.849 11.528 158 HD12 LEU 26 2HD1 LEU 26 14.371 13.919 10.615 159 HD13 LEU 26 3HD1 LEU 26 14.068 13.603 12.340 160 HD21 LEU 26 1HD2 LEU 26 12.639 12.129 12.975 161 HD22 LEU 26 2HD2 LEU 26 11.974 10.833 11.951 162 HD23 LEU 26 3HD2 LEU 26 13.566 10.630 12.722 163 H SER 27 H SER 27 10.541 12.623 7.549 164 HA SER 27 HA SER 27 8.058 12.567 8.938 165 HB2 SER 27 1HB SER 27 8.960 14.545 7.621 166 HB3 SER 27 2HB SER 27 8.669 13.639 6.150 167 HG SER 27 HG SER 27 6.686 14.445 8.102 168 H GLY 28 H GLY 28 9.686 10.418 6.890 169 HA2 GLY 28 1HA GLY 28 9.071 8.672 5.610 170 HA3 GLY 28 2HA GLY 28 7.682 8.561 6.674 171 H PHE 29 H PHE 29 6.217 7.917 5.018 172 HA PHE 29 HA PHE 29 5.783 9.928 2.930 173 HB2 PHE 29 1HB PHE 29 5.238 6.932 3.276 174 HB3 PHE 29 2HB PHE 29 4.421 7.837 2.017 175 HD1 PHE 29 2HD PHE 29 6.597 9.638 1.111 176 HD2 PHE 29 1HD PHE 29 6.674 5.516 2.115 177 HE1 PHE 29 2HE PHE 29 8.568 9.305 -0.407 178 HE2 PHE 29 1HE PHE 29 8.646 5.183 0.597 179 HZ PHE 29 HZ PHE 29 9.569 7.082 -0.646 180 H GLY 30 H GLY 30 3.489 7.388 3.952 181 HA2 GLY 30 1HA GLY 30 1.877 8.300 5.777 182 HA3 GLY 30 2HA GLY 30 1.533 9.496 4.544 183 H LEU 31 H LEU 31 1.636 5.933 5.150 184 HA LEU 31 HA LEU 31 -0.875 5.581 3.902 185 HB2 LEU 31 1HB LEU 31 -0.373 4.562 1.912 186 HB3 LEU 31 2HB LEU 31 0.762 5.897 1.954 187 HG LEU 31 HG LEU 31 2.167 3.793 3.133 188 HD11 LEU 31 1HD1 LEU 31 1.531 1.825 2.326 189 HD12 LEU 31 2HD1 LEU 31 0.059 2.615 1.710 190 HD13 LEU 31 3HD1 LEU 31 1.488 2.454 0.661 191 HD21 LEU 31 1HD2 LEU 31 3.059 3.803 0.546 192 HD22 LEU 31 2HD2 LEU 31 2.245 5.382 0.660 193 HD23 LEU 31 3HD2 LEU 31 3.541 4.964 1.807 194 H GLN 32 H GLN 32 -1.810 3.675 4.617 195 HA GLN 32 HA GLN 32 -0.007 2.005 6.191 196 HB2 GLN 32 1HB GLN 32 -2.656 3.188 6.769 197 HB3 GLN 32 2HB GLN 32 -2.572 1.477 7.138 198 HG2 GLN 32 1HG GLN 32 -0.588 3.582 8.125 199 HG3 GLN 32 2HG GLN 32 -1.891 2.903 9.080 200 HE21 GLN 32 1HE2 GLN 32 1.312 2.726 8.416 201 HE22 GLN 32 2HE2 GLN 32 1.677 1.106 8.910 202 H LEU 33 H LEU 33 -0.068 -0.246 5.896 203 HA LEU 33 HA LEU 33 -1.762 -1.111 3.662 204 HB2 LEU 33 1HB LEU 33 0.833 -2.283 4.673 205 HB3 LEU 33 2HB LEU 33 -0.098 -2.861 3.306 206 HG LEU 33 HG LEU 33 1.135 -0.098 3.464 207 HD11 LEU 33 1HD1 LEU 33 2.691 -1.194 1.668 208 HD12 LEU 33 2HD1 LEU 33 3.029 -1.406 3.403 209 HD13 LEU 33 3HD1 LEU 33 2.238 -2.710 2.485 210 HD21 LEU 33 1HD2 LEU 33 0.464 -1.356 0.866 211 HD22 LEU 33 2HD2 LEU 33 -0.910 -0.858 1.881 212 HD23 LEU 33 3HD2 LEU 33 0.322 0.335 1.404 213 H GLN 34 H GLN 34 -2.835 -3.180 3.810 214 HA GLN 34 HA GLN 34 -3.043 -4.119 6.561 215 HB2 GLN 34 1HB GLN 34 -5.175 -3.359 6.571 216 HB3 GLN 34 2HB GLN 34 -5.124 -2.979 4.861 217 HG2 GLN 34 1HG GLN 34 -5.744 -5.234 4.238 218 HG3 GLN 34 2HG GLN 34 -5.462 -5.838 5.859 219 HE21 GLN 34 1HE2 GLN 34 -7.719 -4.701 3.681 220 HE22 GLN 34 2HE2 GLN 34 -9.057 -4.401 4.740 221 H GLY 35 H GLY 35 -2.290 -6.187 6.654 222 HA2 GLY 35 1HA GLY 35 -3.078 -8.038 4.512 223 HA3 GLY 35 2HA GLY 35 -1.376 -7.845 4.884 224 H GLY 36 H GLY 36 -1.290 -10.112 5.536 225 HA2 GLY 36 1HA GLY 36 -2.895 -11.352 7.398 226 HA3 GLY 36 2HA GLY 36 -1.206 -11.717 7.108 227 H ILE 37 H ILE 37 -1.718 -12.183 9.612 228 HA ILE 37 HA ILE 37 -1.399 -9.732 11.153 229 HB ILE 37 HB ILE 37 -2.004 -12.585 11.927 230 HG12 ILE 37 1HG1 ILE 37 -3.801 -11.220 10.796 231 HG13 ILE 37 2HG1 ILE 37 -4.204 -11.856 12.378 232 HG21 ILE 37 1HG2 ILE 37 -0.928 -11.979 13.833 233 HG22 ILE 37 2HG2 ILE 37 -1.187 -10.238 13.566 234 HG23 ILE 37 3HG2 ILE 37 -2.515 -11.251 14.182 235 HD11 ILE 37 1HD1 ILE 37 -4.195 -9.113 11.516 236 HD12 ILE 37 2HD1 ILE 37 -4.637 -9.763 13.114 237 HD13 ILE 37 3HD1 ILE 37 -2.953 -9.295 12.778 238 H PHE 38 H PHE 38 -0.014 -13.018 11.716 239 HA PHE 38 HA PHE 38 2.235 -12.347 12.939 240 HB2 PHE 38 1HB PHE 38 1.896 -14.320 10.599 241 HB3 PHE 38 2HB PHE 38 3.198 -14.411 11.768 242 HD1 PHE 38 2HD PHE 38 -0.399 -14.892 11.245 243 HD2 PHE 38 1HD PHE 38 2.809 -15.249 14.000 244 HE1 PHE 38 2HE PHE 38 -1.831 -16.324 12.727 245 HE2 PHE 38 1HE PHE 38 1.377 -16.681 15.482 246 HZ PHE 38 HZ PHE 38 -0.926 -17.202 14.828 247 H ALA 39 H ALA 39 3.380 -10.480 12.444 248 HA ALA 39 HA ALA 39 3.878 -9.377 10.042 249 HB1 ALA 39 1HB ALA 39 6.286 -9.073 11.452 250 HB2 ALA 39 2HB ALA 39 4.856 -8.018 11.548 251 HB3 ALA 39 3HB ALA 39 5.059 -9.348 12.712 252 H THR 40 H THR 40 5.678 -12.105 11.582 253 HA THR 40 HA THR 40 7.362 -12.340 9.226 254 HB THR 40 HB THR 40 8.444 -14.117 10.654 255 HG1 THR 40 1HG THR 40 6.499 -14.768 11.781 256 HG21 THR 40 1HG2 THR 40 9.500 -12.143 11.316 257 HG22 THR 40 2HG2 THR 40 7.960 -11.322 11.667 258 HG23 THR 40 3HG2 THR 40 8.629 -12.494 12.828 259 H GLU 41 H GLU 41 5.802 -12.823 7.604 260 HA GLU 41 HA GLU 41 5.475 -15.544 7.241 261 HB2 GLU 41 1HB GLU 41 3.307 -14.244 8.731 262 HB3 GLU 41 2HB GLU 41 2.719 -14.956 7.242 263 HG2 GLU 41 1HG GLU 41 4.616 -16.621 8.872 264 HG3 GLU 41 2HG GLU 41 3.013 -16.380 9.538 265 H THR 42 H THR 42 5.316 -15.864 5.042 266 HA THR 42 HA THR 42 5.451 -13.750 3.280 267 HB THR 42 HB THR 42 4.465 -16.619 2.838 268 HG1 THR 42 1HG THR 42 6.554 -16.684 3.720 269 HG21 THR 42 1HG2 THR 42 5.867 -14.639 0.964 270 HG22 THR 42 2HG2 THR 42 5.464 -16.330 0.580 271 HG23 THR 42 3HG2 THR 42 4.164 -15.138 0.824 272 H LEU 43 H LEU 43 3.973 -12.978 1.620 273 HA LEU 43 HA LEU 43 1.256 -12.853 2.711 274 HB2 LEU 43 1HB LEU 43 2.870 -10.968 1.003 275 HB3 LEU 43 2HB LEU 43 1.133 -10.818 1.179 276 HG LEU 43 HG LEU 43 3.157 -10.678 3.431 277 HD11 LEU 43 1HD1 LEU 43 3.455 -8.664 2.372 278 HD12 LEU 43 2HD1 LEU 43 1.781 -8.600 1.771 279 HD13 LEU 43 3HD1 LEU 43 2.125 -8.261 3.484 280 HD21 LEU 43 1HD2 LEU 43 0.149 -10.614 3.404 281 HD22 LEU 43 2HD2 LEU 43 1.255 -11.529 4.457 282 HD23 LEU 43 3HD2 LEU 43 1.075 -9.770 4.670 283 H SER 44 H SER 44 -0.115 -14.277 1.790 284 HA SER 44 HA SER 44 0.485 -15.410 -0.718 285 HB2 SER 44 1HB SER 44 -1.446 -16.763 -0.368 286 HB3 SER 44 2HB SER 44 -0.776 -16.502 1.229 287 HG SER 44 HG SER 44 -3.243 -16.112 0.663 288 H SER 45 H SER 45 -1.266 -12.585 0.402 289 HA SER 45 HA SER 45 -2.109 -12.142 -2.344 290 HB2 SER 45 1HB SER 45 -3.827 -12.436 -0.003 291 HB3 SER 45 2HB SER 45 -4.012 -10.834 -0.688 292 HG SER 45 HG SER 45 -4.934 -11.646 -2.469 293 HA PRO 46 HA PRO 46 -0.514 -8.150 -1.659 294 HB2 PRO 46 1HB PRO 46 -2.105 -6.520 -3.169 295 HB3 PRO 46 2HB PRO 46 -0.833 -7.514 -3.849 296 HG2 PRO 46 1HG PRO 46 -3.758 -7.929 -3.941 297 HG3 PRO 46 2HG PRO 46 -2.515 -8.647 -4.947 298 HD2 PRO 46 1HD PRO 46 -3.904 -9.904 -2.775 299 HD3 PRO 46 2HD PRO 46 -2.582 -10.581 -3.705 300 HA PRO 47 HA PRO 47 -2.535 -6.341 1.619 301 HB2 PRO 47 1HB PRO 47 -0.756 -4.359 2.230 302 HB3 PRO 47 2HB PRO 47 -0.572 -6.013 2.777 303 HG2 PRO 47 1HG PRO 47 0.895 -4.595 0.639 304 HG3 PRO 47 2HG PRO 47 1.333 -6.069 1.479 305 HD2 PRO 47 1HD PRO 47 0.256 -5.860 -1.172 306 HD3 PRO 47 2HD PRO 47 0.585 -7.337 -0.288 307 H LEU 48 H LEU 48 -4.026 -4.761 2.134 308 HA LEU 48 HA LEU 48 -4.451 -2.958 -0.120 309 HB2 LEU 48 1HB LEU 48 -6.259 -3.722 2.177 310 HB3 LEU 48 2HB LEU 48 -6.687 -2.663 0.847 311 HG LEU 48 HG LEU 48 -7.112 -5.396 0.992 312 HD11 LEU 48 1HD1 LEU 48 -7.092 -3.528 -1.391 313 HD12 LEU 48 2HD1 LEU 48 -7.799 -5.162 -1.400 314 HD13 LEU 48 3HD1 LEU 48 -8.459 -3.912 -0.317 315 HD21 LEU 48 1HD2 LEU 48 -5.757 -6.233 -1.000 316 HD22 LEU 48 2HD2 LEU 48 -4.680 -4.846 -0.710 317 HD23 LEU 48 3HD2 LEU 48 -4.905 -6.079 0.555 318 H VAL 49 H VAL 49 -5.194 -0.684 0.429 319 HA VAL 49 HA VAL 49 -3.268 0.430 2.241 320 HB VAL 49 HB VAL 49 -5.290 1.483 0.287 321 HG11 VAL 49 1HG1 VAL 49 -3.855 3.708 1.173 322 HG12 VAL 49 2HG1 VAL 49 -5.569 3.347 1.493 323 HG13 VAL 49 3HG1 VAL 49 -4.323 2.861 2.667 324 HG21 VAL 49 1HG2 VAL 49 -3.448 1.147 -0.977 325 HG22 VAL 49 2HG2 VAL 49 -2.903 2.681 -0.259 326 HG23 VAL 49 3HG2 VAL 49 -2.356 1.133 0.429 327 H CYS 50 H CYS 50 -3.999 -0.512 4.268 328 HA CYS 50 HA CYS 50 -6.445 -0.522 5.325 329 HB2 CYS 50 1HB CYS 50 -4.733 -1.435 6.639 330 HB3 CYS 50 2HB CYS 50 -3.765 0.024 6.589 331 HG CYS 50 HG CYS 50 -4.626 1.106 8.515 332 H PHE 51 H PHE 51 -4.102 2.251 5.690 333 HA PHE 51 HA PHE 51 -6.335 4.084 5.427 334 HB2 PHE 51 1HB PHE 51 -6.283 3.848 7.825 335 HB3 PHE 51 2HB PHE 51 -4.550 3.591 7.849 336 HD1 PHE 51 2HD PHE 51 -3.011 5.524 7.590 337 HD2 PHE 51 1HD PHE 51 -7.207 6.048 7.948 338 HE1 PHE 51 2HE PHE 51 -2.660 7.942 8.165 339 HE2 PHE 51 1HE PHE 51 -6.856 8.466 8.522 340 HZ PHE 51 HZ PHE 51 -4.586 9.384 8.624 341 H ILE 52 H ILE 52 -5.480 6.436 5.387 342 HA ILE 52 HA ILE 52 -2.724 6.504 4.407 343 HB ILE 52 HB ILE 52 -5.179 7.519 2.983 344 HG12 ILE 52 1HG1 ILE 52 -2.954 5.646 2.122 345 HG13 ILE 52 2HG1 ILE 52 -4.569 5.161 2.597 346 HG21 ILE 52 1HG2 ILE 52 -2.391 8.511 2.916 347 HG22 ILE 52 2HG2 ILE 52 -3.155 8.219 1.335 348 HG23 ILE 52 3HG2 ILE 52 -3.919 9.324 2.502 349 HD11 ILE 52 1HD1 ILE 52 -5.103 5.367 0.395 350 HD12 ILE 52 2HD1 ILE 52 -5.079 7.124 0.682 351 HD13 ILE 52 3HD1 ILE 52 -3.632 6.306 0.045 352 H GLU 53 H GLU 53 -1.605 8.425 4.874 353 HA GLU 53 HA GLU 53 -2.738 9.871 7.036 354 HB2 GLU 53 1HB GLU 53 -0.085 9.628 5.712 355 HB3 GLU 53 2HB GLU 53 -0.405 11.202 6.412 356 HG2 GLU 53 1HG GLU 53 -1.319 9.416 8.383 357 HG3 GLU 53 2HG GLU 53 0.116 8.629 7.756 358 HA PRO 54 HA PRO 54 -4.317 13.153 4.658 359 HB2 PRO 54 1HB PRO 54 -4.799 14.968 6.643 360 HB3 PRO 54 2HB PRO 54 -5.889 13.650 6.265 361 HG2 PRO 54 1HG PRO 54 -4.025 13.919 8.544 362 HG3 PRO 54 2HG PRO 54 -5.400 12.846 8.371 363 HD2 PRO 54 1HD PRO 54 -2.631 12.143 8.114 364 HD3 PRO 54 2HD PRO 54 -4.008 11.098 7.828 365 H ASP 55 H ASP 55 -3.613 14.789 3.386 366 HA ASP 55 HA ASP 55 -2.317 16.401 2.713 367 HB2 ASP 55 1HB ASP 55 -2.490 17.039 5.325 368 HB3 ASP 55 2HB ASP 55 -0.791 16.611 5.310 369 H SER 56 H SER 56 -1.459 13.374 3.535 370 HA SER 56 HA SER 56 1.380 13.620 3.495 371 HB2 SER 56 1HB SER 56 1.367 11.452 4.203 372 HB3 SER 56 2HB SER 56 -0.340 11.733 4.484 373 HG SER 56 HG SER 56 -0.711 10.186 3.063 374 HA PRO 57 HA PRO 57 1.999 12.822 -0.754 375 HB2 PRO 57 1HB PRO 57 3.755 10.739 -0.960 376 HB3 PRO 57 2HB PRO 57 4.247 12.370 -0.548 377 HG2 PRO 57 1HG PRO 57 3.996 10.009 1.213 378 HG3 PRO 57 2HG PRO 57 4.871 11.501 1.495 379 HD2 PRO 57 1HD PRO 57 2.343 10.755 2.625 380 HD3 PRO 57 2HD PRO 57 3.162 12.292 2.814 381 H ALA 58 H ALA 58 1.396 9.729 0.809 382 HA ALA 58 HA ALA 58 0.529 8.405 -1.472 383 HB1 ALA 58 1HB ALA 58 0.979 7.749 1.121 384 HB2 ALA 58 2HB ALA 58 -0.801 7.797 1.125 385 HB3 ALA 58 3HB ALA 58 0.058 6.719 -0.001 386 H GLU 59 H GLU 59 -1.006 10.856 0.570 387 HA GLU 59 HA GLU 59 -3.600 10.275 -0.478 388 HB2 GLU 59 1HB GLU 59 -3.186 11.135 1.862 389 HB3 GLU 59 2HB GLU 59 -2.670 12.663 1.175 390 HG2 GLU 59 1HG GLU 59 -5.122 12.549 1.920 391 HG3 GLU 59 2HG GLU 59 -4.848 13.141 0.294 392 H ARG 60 H ARG 60 -0.979 12.697 -0.930 393 HA ARG 60 HA ARG 60 -2.378 14.450 -2.499 394 HB2 ARG 60 1HB ARG 60 0.558 13.679 -2.333 395 HB3 ARG 60 2HB ARG 60 0.034 14.868 -3.509 396 HG2 ARG 60 1HG ARG 60 -1.242 15.696 -1.148 397 HG3 ARG 60 2HG ARG 60 0.315 15.127 -0.581 398 HD2 ARG 60 1HD ARG 60 1.514 16.734 -1.811 399 HD3 ARG 60 2HD ARG 60 0.267 16.892 -3.032 400 HE ARG 60 HE ARG 60 0.437 18.372 -0.529 401 HH11 ARG 60 2HH2 ARG 60 -1.805 17.139 -2.944 402 HH12 ARG 60 1HH2 ARG 60 -3.026 18.316 -2.597 403 HH21 ARG 60 2HH1 ARG 60 -1.174 19.925 -0.069 404 HH22 ARG 60 1HH1 ARG 60 -2.665 19.912 -0.950 405 H CYS 61 H CYS 61 -1.134 11.228 -3.173 406 HA CYS 61 HA CYS 61 -0.832 11.433 -5.934 407 HB2 CYS 61 1HB CYS 61 -0.094 9.551 -4.315 408 HB3 CYS 61 2HB CYS 61 -1.710 8.908 -4.526 409 HG CYS 61 HG CYS 61 -0.691 9.887 -7.325 410 H GLY 62 H GLY 62 -3.622 11.218 -3.773 411 HA2 GLY 62 1HA GLY 62 -5.826 11.446 -4.185 412 HA3 GLY 62 2HA GLY 62 -5.451 11.838 -5.852 413 H LEU 63 H LEU 63 -4.367 9.686 -7.024 414 HA LEU 63 HA LEU 63 -6.496 7.960 -7.391 415 HB2 LEU 63 1HB LEU 63 -5.275 7.363 -9.120 416 HB3 LEU 63 2HB LEU 63 -4.033 8.464 -8.558 417 HG LEU 63 HG LEU 63 -3.208 6.447 -7.129 418 HD11 LEU 63 1HD1 LEU 63 -5.425 5.208 -8.012 419 HD12 LEU 63 2HD1 LEU 63 -4.276 4.692 -9.270 420 HD13 LEU 63 3HD1 LEU 63 -3.934 4.349 -7.557 421 HD21 LEU 63 1HD2 LEU 63 -1.945 5.566 -9.166 422 HD22 LEU 63 2HD2 LEU 63 -2.870 6.756 -10.112 423 HD23 LEU 63 3HD2 LEU 63 -1.797 7.301 -8.801 424 H LEU 64 H LEU 64 -3.654 7.773 -5.205 425 HA LEU 64 HA LEU 64 -4.094 5.115 -4.413 426 HB2 LEU 64 1HB LEU 64 -2.127 6.945 -4.087 427 HB3 LEU 64 2HB LEU 64 -2.865 7.003 -2.498 428 HG LEU 64 HG LEU 64 -2.295 4.291 -3.573 429 HD11 LEU 64 1HD1 LEU 64 -0.179 6.350 -3.139 430 HD12 LEU 64 2HD1 LEU 64 0.125 4.694 -2.561 431 HD13 LEU 64 3HD1 LEU 64 -0.240 4.983 -4.279 432 HD21 LEU 64 1HD2 LEU 64 -1.991 5.635 -0.876 433 HD22 LEU 64 2HD2 LEU 64 -3.254 4.488 -1.383 434 HD23 LEU 64 3HD2 LEU 64 -1.569 3.939 -1.213 435 H GLN 65 H GLN 65 -5.416 4.195 -2.888 436 HA GLN 65 HA GLN 65 -6.652 5.831 -0.927 437 HB2 GLN 65 1HB GLN 65 -8.980 5.453 -1.608 438 HB3 GLN 65 2HB GLN 65 -8.120 6.308 -2.872 439 HG2 GLN 65 1HG GLN 65 -7.713 4.065 -4.014 440 HG3 GLN 65 2HG GLN 65 -8.744 3.319 -2.809 441 HE21 GLN 65 1HE2 GLN 65 -9.387 3.088 -5.408 442 HE22 GLN 65 2HE2 GLN 65 -10.791 4.019 -5.812 443 H VAL 66 H VAL 66 -8.476 4.305 0.233 444 HA VAL 66 HA VAL 66 -7.017 2.037 1.084 445 HB VAL 66 HB VAL 66 -9.843 2.980 1.602 446 HG11 VAL 66 1HG1 VAL 66 -9.056 0.432 2.002 447 HG12 VAL 66 2HG1 VAL 66 -8.481 1.160 3.521 448 HG13 VAL 66 3HG1 VAL 66 -10.199 1.281 3.070 449 HG21 VAL 66 1HG2 VAL 66 -8.838 3.655 3.818 450 HG22 VAL 66 2HG2 VAL 66 -7.237 3.322 3.115 451 HG23 VAL 66 3HG2 VAL 66 -8.271 4.590 2.413 452 H GLY 67 H GLY 67 -7.240 -0.133 0.581 453 HA2 GLY 67 1HA GLY 67 -7.990 -1.986 -0.470 454 HA3 GLY 67 2HA GLY 67 -9.476 -1.147 -0.868 455 H ASP 68 H ASP 68 -6.070 -0.232 -1.691 456 HA ASP 68 HA ASP 68 -6.925 -0.058 -4.439 457 HB2 ASP 68 1HB ASP 68 -5.027 1.311 -2.746 458 HB3 ASP 68 2HB ASP 68 -4.133 0.595 -4.072 459 H ARG 69 H ARG 69 -5.390 -2.227 -2.252 460 HA ARG 69 HA ARG 69 -4.298 -4.079 -2.455 461 HB2 ARG 69 1HB ARG 69 -5.201 -3.916 -5.372 462 HB3 ARG 69 2HB ARG 69 -4.420 -5.329 -4.691 463 HG2 ARG 69 1HG ARG 69 -6.484 -6.031 -4.054 464 HG3 ARG 69 2HG ARG 69 -6.444 -4.776 -2.832 465 HD2 ARG 69 1HD ARG 69 -7.994 -3.505 -3.929 466 HD3 ARG 69 2HD ARG 69 -7.186 -3.696 -5.472 467 HE ARG 69 HE ARG 69 -9.364 -5.364 -4.416 468 HH11 ARG 69 2HH2 ARG 69 -6.756 -5.132 -6.767 469 HH12 ARG 69 1HH2 ARG 69 -7.440 -6.313 -7.833 470 HH21 ARG 69 2HH1 ARG 69 -10.267 -6.922 -5.822 471 HH22 ARG 69 1HH1 ARG 69 -9.451 -7.338 -7.292 472 H VAL 70 H VAL 70 -2.086 -4.013 -2.206 473 HA VAL 70 HA VAL 70 -0.540 -2.582 -4.226 474 HB VAL 70 HB VAL 70 0.086 -3.527 -1.424 475 HG11 VAL 70 1HG1 VAL 70 2.057 -1.711 -2.205 476 HG12 VAL 70 2HG1 VAL 70 2.243 -3.471 -2.011 477 HG13 VAL 70 3HG1 VAL 70 1.865 -2.786 -3.610 478 HG21 VAL 70 1HG2 VAL 70 -1.228 -1.655 -1.121 479 HG22 VAL 70 2HG2 VAL 70 0.386 -0.914 -1.234 480 HG23 VAL 70 3HG2 VAL 70 -0.700 -0.899 -2.643 481 H LEU 71 H LEU 71 0.358 -3.734 -5.847 482 HA LEU 71 HA LEU 71 0.538 -6.592 -5.587 483 HB2 LEU 71 1HB LEU 71 1.244 -4.706 -7.838 484 HB3 LEU 71 2HB LEU 71 1.323 -6.453 -7.936 485 HG LEU 71 HG LEU 71 -1.095 -4.674 -7.762 486 HD11 LEU 71 1HD1 LEU 71 -1.135 -5.121 -9.935 487 HD12 LEU 71 2HD1 LEU 71 0.199 -6.290 -9.776 488 HD13 LEU 71 3HD1 LEU 71 -1.483 -6.819 -9.531 489 HD21 LEU 71 1HD2 LEU 71 -1.457 -6.298 -6.002 490 HD22 LEU 71 2HD2 LEU 71 -2.505 -6.667 -7.393 491 HD23 LEU 71 3HD2 LEU 71 -1.038 -7.632 -7.104 492 H SER 72 H SER 72 2.856 -3.869 -6.240 493 HA SER 72 HA SER 72 4.797 -5.338 -4.697 494 HB2 SER 72 1HB SER 72 6.551 -5.046 -6.460 495 HB3 SER 72 2HB SER 72 5.269 -6.136 -6.950 496 HG SER 72 HG SER 72 4.277 -4.287 -8.090 497 H ILE 73 H ILE 73 6.861 -3.879 -4.404 498 HA ILE 73 HA ILE 73 6.149 -1.052 -4.605 499 HB ILE 73 HB ILE 73 7.034 -2.471 -2.091 500 HG12 ILE 73 1HG1 ILE 73 4.535 -0.825 -2.516 501 HG13 ILE 73 2HG1 ILE 73 4.576 -2.549 -2.824 502 HG21 ILE 73 1HG2 ILE 73 7.046 0.420 -2.865 503 HG22 ILE 73 2HG2 ILE 73 6.642 -0.029 -1.191 504 HG23 ILE 73 3HG2 ILE 73 8.207 -0.511 -1.889 505 HD11 ILE 73 1HD1 ILE 73 3.790 -1.997 -0.508 506 HD12 ILE 73 2HD1 ILE 73 5.257 -3.005 -0.506 507 HD13 ILE 73 3HD1 ILE 73 5.375 -1.260 -0.174 508 H ASN 74 H ASN 74 7.700 -0.153 -5.843 509 HA ASN 74 HA ASN 74 9.672 0.448 -6.532 510 HB2 ASN 74 1HB ASN 74 10.957 -1.282 -4.359 511 HB3 ASN 74 2HB ASN 74 11.701 0.063 -5.199 512 HD21 ASN 74 1HD2 ASN 74 12.109 0.873 -3.061 513 HD22 ASN 74 2HD2 ASN 74 10.901 1.779 -2.213 514 H GLY 75 H GLY 75 8.276 -2.361 -6.944 515 HA2 GLY 75 1HA GLY 75 8.760 -3.752 -8.777 516 HA3 GLY 75 2HA GLY 75 10.477 -3.518 -8.514 517 H ILE 76 H ILE 76 8.970 -3.870 -5.482 518 HA ILE 76 HA ILE 76 9.797 -6.675 -5.411 519 HB ILE 76 HB ILE 76 9.389 -4.680 -3.180 520 HG12 ILE 76 1HG1 ILE 76 11.363 -4.438 -4.891 521 HG13 ILE 76 2HG1 ILE 76 11.638 -4.245 -3.171 522 HG21 ILE 76 1HG2 ILE 76 10.011 -7.600 -3.227 523 HG22 ILE 76 2HG2 ILE 76 10.821 -6.579 -2.015 524 HG23 ILE 76 3HG2 ILE 76 9.044 -6.648 -2.076 525 HD11 ILE 76 1HD1 ILE 76 13.152 -5.880 -4.692 526 HD12 ILE 76 2HD1 ILE 76 12.808 -6.235 -2.983 527 HD13 ILE 76 3HD1 ILE 76 11.865 -7.033 -4.264 528 H ALA 77 H ALA 77 8.201 -8.134 -5.676 529 HA ALA 77 HA ALA 77 5.479 -7.394 -5.420 530 HB1 ALA 77 1HB ALA 77 6.618 -9.176 -6.929 531 HB2 ALA 77 2HB ALA 77 6.548 -10.226 -5.494 532 HB3 ALA 77 3HB ALA 77 5.047 -9.578 -6.197 533 H THR 78 H THR 78 4.451 -7.049 -3.519 534 HA THR 78 HA THR 78 5.504 -7.810 -1.043 535 HB THR 78 HB THR 78 3.402 -6.898 -0.204 536 HG1 THR 78 1HG THR 78 2.624 -7.436 -2.984 537 HG21 THR 78 1HG2 THR 78 3.398 -5.423 -2.813 538 HG22 THR 78 2HG2 THR 78 3.482 -4.783 -1.154 539 HG23 THR 78 3HG2 THR 78 4.946 -5.426 -1.935 540 H GLU 79 H GLU 79 3.478 -9.543 -3.368 541 HA GLU 79 HA GLU 79 2.526 -11.416 -1.512 542 HB2 GLU 79 1HB GLU 79 2.877 -11.793 -4.515 543 HB3 GLU 79 2HB GLU 79 1.772 -12.665 -3.472 544 HG2 GLU 79 1HG GLU 79 1.059 -10.042 -2.937 545 HG3 GLU 79 2HG GLU 79 1.530 -9.929 -4.621 546 H ASP 80 H ASP 80 5.639 -10.834 -2.793 547 HA ASP 80 HA ASP 80 6.366 -13.627 -2.406 548 HB2 ASP 80 1HB ASP 80 7.488 -11.367 -4.062 549 HB3 ASP 80 2HB ASP 80 8.607 -12.585 -3.484 550 H GLY 81 H GLY 81 5.847 -11.546 -0.281 551 HA2 GLY 81 1HA GLY 81 8.378 -11.805 1.132 552 HA3 GLY 81 2HA GLY 81 7.851 -10.167 0.800 553 H THR 82 H THR 82 7.909 -10.266 3.323 554 HA THR 82 HA THR 82 5.347 -11.327 4.310 555 HB THR 82 HB THR 82 6.619 -11.052 6.564 556 HG1 THR 82 1HG THR 82 8.223 -9.642 5.269 557 HG21 THR 82 1HG2 THR 82 7.418 -13.218 6.400 558 HG22 THR 82 2HG2 THR 82 6.574 -13.202 4.834 559 HG23 THR 82 3HG2 THR 82 8.321 -12.868 4.907 560 H MET 83 H MET 83 4.118 -10.029 5.833 561 HA MET 83 HA MET 83 3.433 -7.639 4.929 562 HB2 MET 83 1HB MET 83 2.552 -9.112 6.944 563 HB3 MET 83 2HB MET 83 3.618 -8.137 7.937 564 HG2 MET 83 1HG MET 83 1.342 -7.171 7.929 565 HG3 MET 83 2HG MET 83 2.468 -6.063 7.171 566 HE1 MET 83 1HE MET 83 0.812 -4.688 5.659 567 HE2 MET 83 2HE MET 83 2.360 -5.202 4.947 568 HE3 MET 83 3HE MET 83 0.865 -5.287 3.984 569 H GLU 84 H GLU 84 5.805 -8.114 7.651 570 HA GLU 84 HA GLU 84 6.412 -5.517 8.070 571 HB2 GLU 84 1HB GLU 84 7.477 -8.057 8.792 572 HB3 GLU 84 2HB GLU 84 8.838 -7.118 8.212 573 HG2 GLU 84 1HG GLU 84 7.001 -5.586 9.975 574 HG3 GLU 84 2HG GLU 84 7.752 -6.957 10.767 575 H GLU 85 H GLU 85 8.200 -7.786 5.852 576 HA GLU 85 HA GLU 85 10.034 -6.134 4.870 577 HB2 GLU 85 1HB GLU 85 8.378 -8.286 3.529 578 HB3 GLU 85 2HB GLU 85 9.589 -7.416 2.608 579 HG2 GLU 85 1HG GLU 85 10.434 -8.479 5.291 580 HG3 GLU 85 2HG GLU 85 10.161 -9.659 4.024 581 H ALA 86 H ALA 86 6.584 -6.325 3.790 582 HA ALA 86 HA ALA 86 6.746 -4.517 1.706 583 HB1 ALA 86 1HB ALA 86 4.754 -5.941 3.185 584 HB2 ALA 86 2HB ALA 86 4.239 -4.240 3.083 585 HB3 ALA 86 3HB ALA 86 4.596 -5.152 1.597 586 H ASN 87 H ASN 87 5.996 -3.958 5.214 587 HA ASN 87 HA ASN 87 5.687 -1.223 4.940 588 HB2 ASN 87 1HB ASN 87 6.214 -3.145 7.198 589 HB3 ASN 87 2HB ASN 87 6.543 -1.456 7.530 590 HD21 ASN 87 1HD2 ASN 87 4.141 -3.840 6.724 591 HD22 ASN 87 2HD2 ASN 87 2.725 -2.899 7.059 592 H GLN 88 H GLN 88 8.504 -3.328 5.841 593 HA GLN 88 HA GLN 88 10.267 -1.290 6.417 594 HB2 GLN 88 1HB GLN 88 10.747 -3.580 7.055 595 HB3 GLN 88 2HB GLN 88 10.709 -4.122 5.389 596 HG2 GLN 88 1HG GLN 88 12.942 -3.750 5.277 597 HG3 GLN 88 2HG GLN 88 12.618 -2.032 5.405 598 HE21 GLN 88 1HE2 GLN 88 13.383 -0.965 7.071 599 HE22 GLN 88 2HE2 GLN 88 13.991 -1.635 8.548 600 H LEU 89 H LEU 89 9.287 -2.789 3.319 601 HA LEU 89 HA LEU 89 11.351 -1.751 1.750 602 HB2 LEU 89 1HB LEU 89 8.567 -2.733 1.218 603 HB3 LEU 89 2HB LEU 89 9.511 -2.011 -0.070 604 HG LEU 89 HG LEU 89 10.503 -4.347 1.578 605 HD11 LEU 89 1HD1 LEU 89 9.491 -5.872 0.237 606 HD12 LEU 89 2HD1 LEU 89 8.279 -4.574 0.110 607 HD13 LEU 89 3HD1 LEU 89 9.484 -4.796 -1.181 608 HD21 LEU 89 1HD2 LEU 89 12.118 -2.862 0.271 609 HD22 LEU 89 2HD2 LEU 89 12.181 -4.613 -0.042 610 HD23 LEU 89 3HD2 LEU 89 11.366 -3.532 -1.197 611 H LEU 90 H LEU 90 8.236 -0.391 2.893 612 HA LEU 90 HA LEU 90 8.370 1.901 1.244 613 HB2 LEU 90 1HB LEU 90 6.658 0.794 3.317 614 HB3 LEU 90 2HB LEU 90 6.837 2.530 3.479 615 HG LEU 90 HG LEU 90 5.724 0.974 1.144 616 HD11 LEU 90 1HD1 LEU 90 4.512 3.311 2.628 617 HD12 LEU 90 2HD1 LEU 90 3.715 2.147 1.543 618 HD13 LEU 90 3HD1 LEU 90 4.295 1.620 3.141 619 HD21 LEU 90 1HD2 LEU 90 5.448 3.412 0.187 620 HD22 LEU 90 2HD2 LEU 90 6.898 3.727 1.171 621 HD23 LEU 90 3HD2 LEU 90 6.936 2.475 -0.094 622 H ARG 91 H ARG 91 9.592 1.037 4.498 623 HA ARG 91 HA ARG 91 10.209 3.581 5.319 624 HB2 ARG 91 1HB ARG 91 10.733 0.866 6.162 625 HB3 ARG 91 2HB ARG 91 12.245 1.747 6.250 626 HG2 ARG 91 1HG ARG 91 11.128 3.534 7.599 627 HG3 ARG 91 2HG ARG 91 9.613 2.659 7.506 628 HD2 ARG 91 1HD ARG 91 10.367 0.920 8.921 629 HD3 ARG 91 2HD ARG 91 12.057 1.222 8.568 630 HE ARG 91 HE ARG 91 10.950 3.546 9.836 631 HH11 ARG 91 2HH2 ARG 91 11.873 0.231 10.574 632 HH12 ARG 91 1HH2 ARG 91 12.204 0.559 12.242 633 HH21 ARG 91 2HH1 ARG 91 11.387 3.979 12.037 634 HH22 ARG 91 1HH1 ARG 91 11.925 2.706 13.080 635 H ASP 92 H ASP 92 12.519 1.074 4.013 636 HA ASP 92 HA ASP 92 14.698 2.577 3.771 637 HB2 ASP 92 1HB ASP 92 14.252 0.107 3.087 638 HB3 ASP 92 2HB ASP 92 13.784 0.738 1.520 639 H ALA 93 H ALA 93 12.066 2.186 1.279 640 HA ALA 93 HA ALA 93 13.041 3.774 -0.700 641 HB1 ALA 93 1HB ALA 93 10.804 2.373 -0.361 642 HB2 ALA 93 2HB ALA 93 10.133 3.974 0.036 643 HB3 ALA 93 3HB ALA 93 10.889 3.694 -1.552 644 H ALA 94 H ALA 94 11.250 4.771 2.279 645 HA ALA 94 HA ALA 94 10.994 7.452 1.686 646 HB1 ALA 94 1HB ALA 94 11.559 7.089 4.484 647 HB2 ALA 94 2HB ALA 94 9.987 7.336 3.688 648 HB3 ALA 94 3HB ALA 94 10.627 5.689 3.901 649 H LEU 95 H LEU 95 13.764 5.606 3.064 650 HA LEU 95 HA LEU 95 15.323 7.853 3.672 651 HB2 LEU 95 1HB LEU 95 16.291 5.089 2.946 652 HB3 LEU 95 2HB LEU 95 17.133 6.298 3.894 653 HG LEU 95 HG LEU 95 14.535 4.995 4.748 654 HD11 LEU 95 1HD1 LEU 95 16.662 3.505 4.474 655 HD12 LEU 95 2HD1 LEU 95 17.195 4.322 5.963 656 HD13 LEU 95 3HD1 LEU 95 15.676 3.393 5.952 657 HD21 LEU 95 1HD2 LEU 95 15.638 5.840 7.031 658 HD22 LEU 95 2HD2 LEU 95 16.327 7.056 5.929 659 HD23 LEU 95 3HD2 LEU 95 14.562 6.858 6.043 660 H ALA 96 H ALA 96 14.299 6.516 0.666 661 HA ALA 96 HA ALA 96 16.605 7.612 -0.744 662 HB1 ALA 96 1HB ALA 96 14.554 5.543 -1.223 663 HB2 ALA 96 2HB ALA 96 14.876 6.580 -2.634 664 HB3 ALA 96 3HB ALA 96 16.208 5.684 -1.866 665 H HIS 97 H HIS 97 13.647 8.636 0.522 666 HA HIS 97 HA HIS 97 12.459 10.461 0.252 667 HB2 HIS 97 1HB HIS 97 14.924 11.156 -1.255 668 HB3 HIS 97 2HB HIS 97 13.515 12.146 -1.581 669 HD1 HIS 97 1HD HIS 97 12.722 13.768 0.263 670 HD2 HIS 97 2HD HIS 97 15.933 11.332 1.424 671 HE1 HIS 97 1HE HIS 97 13.587 14.727 2.464 672 H LYS 98 H LYS 98 12.626 8.000 -1.792 673 HA LYS 98 HA LYS 98 10.370 8.938 -3.311 674 HB2 LYS 98 1HB LYS 98 12.576 9.555 -4.563 675 HB3 LYS 98 2HB LYS 98 12.666 7.842 -4.920 676 HG2 LYS 98 1HG LYS 98 10.026 8.339 -5.531 677 HG3 LYS 98 2HG LYS 98 10.739 9.891 -5.923 678 HD2 LYS 98 1HD LYS 98 11.208 8.907 -7.938 679 HD3 LYS 98 2HD LYS 98 12.582 8.229 -7.087 680 HE2 LYS 98 1HE LYS 98 10.104 6.658 -6.688 681 HE3 LYS 98 2HE LYS 98 10.573 6.765 -8.373 682 HZ1 LYS 98 1HZ LYS 98 11.983 5.544 -6.167 683 HZ2 LYS 98 2HZ LYS 98 11.845 5.047 -7.716 684 HZ3 LYS 98 3HZ LYS 98 12.897 6.235 -7.330 685 H VAL 99 H VAL 99 9.159 7.157 -4.257 686 HA VAL 99 HA VAL 99 10.112 4.492 -3.798 687 HB VAL 99 HB VAL 99 9.290 5.322 -1.558 688 HG11 VAL 99 1HG1 VAL 99 7.360 6.625 -2.491 689 HG12 VAL 99 2HG1 VAL 99 6.549 5.078 -2.837 690 HG13 VAL 99 3HG1 VAL 99 6.927 5.529 -1.157 691 HG21 VAL 99 1HG2 VAL 99 7.555 3.031 -2.407 692 HG22 VAL 99 2HG2 VAL 99 9.321 2.868 -2.552 693 HG23 VAL 99 3HG2 VAL 99 8.586 3.213 -0.968 694 H VAL 100 H VAL 100 8.974 2.982 -5.066 695 HA VAL 100 HA VAL 100 6.927 4.210 -6.781 696 HB VAL 100 HB VAL 100 9.101 2.196 -7.300 697 HG11 VAL 100 1HG1 VAL 100 6.425 2.318 -8.523 698 HG12 VAL 100 2HG1 VAL 100 7.764 2.372 -9.694 699 HG13 VAL 100 3HG1 VAL 100 7.641 1.019 -8.544 700 HG21 VAL 100 1HG2 VAL 100 10.004 4.199 -7.900 701 HG22 VAL 100 2HG2 VAL 100 9.124 3.861 -9.410 702 HG23 VAL 100 3HG2 VAL 100 8.419 4.954 -8.195 703 H LEU 101 H LEU 101 4.916 3.291 -6.836 704 HA LEU 101 HA LEU 101 4.646 0.744 -5.395 705 HB2 LEU 101 1HB LEU 101 2.443 2.763 -5.582 706 HB3 LEU 101 2HB LEU 101 2.663 1.459 -4.433 707 HG LEU 101 HG LEU 101 3.090 3.342 -3.160 708 HD11 LEU 101 1HD1 LEU 101 5.149 1.601 -3.570 709 HD12 LEU 101 2HD1 LEU 101 5.942 3.166 -3.872 710 HD13 LEU 101 3HD1 LEU 101 5.116 2.871 -2.323 711 HD21 LEU 101 1HD2 LEU 101 3.915 4.514 -5.705 712 HD22 LEU 101 2HD2 LEU 101 3.209 5.277 -4.260 713 HD23 LEU 101 3HD2 LEU 101 4.964 4.992 -4.349 714 H GLU 102 H GLU 102 2.710 -0.568 -6.126 715 HA GLU 102 HA GLU 102 2.063 -0.016 -8.899 716 HB2 GLU 102 1HB GLU 102 3.932 -1.592 -9.006 717 HB3 GLU 102 2HB GLU 102 3.168 -2.651 -7.837 718 HG2 GLU 102 1HG GLU 102 1.600 -3.456 -9.366 719 HG3 GLU 102 2HG GLU 102 1.574 -1.969 -10.295 720 H VAL 103 H VAL 103 -0.134 0.160 -8.929 721 HA VAL 103 HA VAL 103 -1.634 -1.513 -7.049 722 HB VAL 103 HB VAL 103 -2.919 0.678 -8.587 723 HG11 VAL 103 1HG1 VAL 103 -3.096 -0.489 -5.809 724 HG12 VAL 103 2HG1 VAL 103 -3.843 1.078 -6.205 725 HG13 VAL 103 3HG1 VAL 103 -4.348 -0.393 -7.070 726 HG21 VAL 103 1HG2 VAL 103 -1.078 1.992 -8.120 727 HG22 VAL 103 2HG2 VAL 103 -2.051 2.237 -6.650 728 HG23 VAL 103 3HG2 VAL 103 -0.680 1.102 -6.631 729 H GLU 104 H GLU 104 -3.652 -2.529 -7.844 730 HA GLU 104 HA GLU 104 -3.412 -3.128 -10.690 731 HB2 GLU 104 1HB GLU 104 -2.872 -4.964 -8.849 732 HB3 GLU 104 2HB GLU 104 -4.615 -5.091 -8.732 733 HG2 GLU 104 1HG GLU 104 -4.069 -5.057 -11.519 734 HG3 GLU 104 2HG GLU 104 -2.829 -6.085 -10.828 735 H PHE 105 H PHE 105 -5.367 -3.275 -11.910 736 HA PHE 105 HA PHE 105 -7.905 -3.288 -10.783 737 HB2 PHE 105 1HB PHE 105 -8.460 -0.843 -11.260 738 HB3 PHE 105 2HB PHE 105 -7.303 -1.028 -9.956 739 HD1 PHE 105 1HD PHE 105 -7.366 -0.556 -13.660 740 HD2 PHE 105 2HD PHE 105 -5.394 0.269 -9.995 741 HE1 PHE 105 1HE PHE 105 -5.768 0.962 -14.861 742 HE2 PHE 105 2HE PHE 105 -3.797 1.787 -11.195 743 HZ PHE 105 HZ PHE 105 -4.003 2.116 -13.615 744 H ASP 106 H ASP 106 -9.626 -2.664 -12.479 745 HA ASP 106 HA ASP 106 -8.517 -3.393 -15.062 746 HB2 ASP 106 1HB ASP 106 -11.415 -3.441 -14.095 747 HB3 ASP 106 2HB ASP 106 -10.840 -4.073 -15.625 748 H SER 107 H SER 107 -8.153 -1.539 -16.306 749 HA SER 107 HA SER 107 -9.605 0.830 -15.795 750 HB2 SER 107 1HB SER 107 -7.326 1.064 -16.506 751 HB3 SER 107 2HB SER 107 -7.558 0.004 -17.882 752 HG SER 107 HG SER 107 -7.538 2.466 -18.210 753 H GLY 108 H GLY 108 -11.833 0.028 -16.151 754 HA2 GLY 108 1HA GLY 108 -13.148 0.803 -18.301 755 HA3 GLY 108 2HA GLY 108 -12.518 -0.722 -18.890 756 HA PRO 109 HA PRO 109 -16.308 -1.911 -16.834 757 HB2 PRO 109 1HB PRO 109 -17.054 -3.828 -18.633 758 HB3 PRO 109 2HB PRO 109 -17.557 -2.154 -18.753 759 HG2 PRO 109 1HG PRO 109 -15.527 -3.597 -20.345 760 HG3 PRO 109 2HG PRO 109 -16.339 -2.088 -20.710 761 HD2 PRO 109 1HD PRO 109 -13.653 -2.403 -19.754 762 HD3 PRO 109 2HD PRO 109 -14.504 -0.893 -20.009 763 H SER 110 H SER 110 -16.615 -3.339 -15.209 764 HA SER 110 HA SER 110 -15.715 -5.932 -15.383 765 HB2 SER 110 1HB SER 110 -13.439 -5.315 -15.286 766 HB3 SER 110 2HB SER 110 -13.738 -3.980 -14.191 767 HG SER 110 HG SER 110 -14.395 -6.570 -13.227 768 H SER 111 H SER 111 -17.726 -6.343 -14.377 769 HA SER 111 HA SER 111 -18.186 -5.048 -11.836 770 HB2 SER 111 1HB SER 111 -20.450 -6.177 -12.018 771 HB3 SER 111 2HB SER 111 -20.094 -5.040 -13.303 772 HG SER 111 HG SER 111 -20.366 -7.855 -13.400 773 H GLY 112 H GLY 112 -17.709 -8.291 -13.334 774 HA2 GLY 112 1HA GLY 112 -16.542 -9.364 -10.988 775 HA3 GLY 112 2HA GLY 112 -18.205 -9.898 -11.123 Start of MODEL 17 1 H1 GLY 1 H GLY 1 14.775 3.356 -44.400 2 HA2 GLY 1 1HA GLY 1 17.349 3.061 -43.086 3 HA3 GLY 1 2HA GLY 1 16.091 3.804 -42.118 4 H SER 2 H SER 2 13.851 2.585 -42.213 5 HA SER 2 HA SER 2 13.888 -0.130 -42.845 6 HB2 SER 2 1HB SER 2 15.391 -0.169 -40.814 7 HB3 SER 2 2HB SER 2 14.070 0.477 -39.861 8 HG SER 2 HG SER 2 12.834 -1.418 -40.287 9 H SER 3 H SER 3 11.768 -1.150 -42.336 10 HA SER 3 HA SER 3 9.701 0.671 -42.568 11 HB2 SER 3 1HB SER 3 9.595 -1.667 -43.380 12 HB3 SER 3 2HB SER 3 9.638 -2.263 -41.733 13 HG SER 3 HG SER 3 7.598 -1.192 -41.334 14 H GLY 4 H GLY 4 7.874 1.073 -41.053 15 HA2 GLY 4 1HA GLY 4 8.757 0.925 -38.231 16 HA3 GLY 4 2HA GLY 4 7.862 2.262 -38.926 17 H SER 5 H SER 5 7.156 0.442 -36.642 18 HA SER 5 HA SER 5 4.471 0.106 -37.330 19 HB2 SER 5 1HB SER 5 4.340 -2.387 -37.035 20 HB3 SER 5 2HB SER 5 5.170 -1.901 -38.501 21 HG SER 5 HG SER 5 6.120 -3.600 -36.816 22 H SER 6 H SER 6 3.177 -0.492 -35.415 23 HA SER 6 HA SER 6 4.436 -1.231 -33.031 24 HB2 SER 6 1HB SER 6 4.224 0.828 -31.740 25 HB3 SER 6 2HB SER 6 5.243 1.131 -33.133 26 HG SER 6 HG SER 6 2.747 1.649 -33.955 27 H GLY 7 H GLY 7 2.851 -2.291 -31.882 28 HA2 GLY 7 1HA GLY 7 0.053 -1.450 -32.362 29 HA3 GLY 7 2HA GLY 7 0.559 -3.125 -32.259 30 H GLY 8 H GLY 8 1.174 -4.050 -30.211 31 HA2 GLY 8 1HA GLY 8 1.625 -2.837 -27.832 32 HA3 GLY 8 2HA GLY 8 -0.122 -2.786 -27.966 33 H GLY 9 H GLY 9 0.326 -4.224 -25.917 34 HA2 GLY 9 1HA GLY 9 1.271 -6.856 -26.220 35 HA3 GLY 9 2HA GLY 9 0.250 -6.244 -24.933 36 H GLN 10 H GLN 10 -0.992 -8.229 -24.920 37 HA GLN 10 HA GLN 10 -2.956 -8.223 -27.053 38 HB2 GLN 10 1HB GLN 10 -1.407 -10.661 -26.086 39 HB3 GLN 10 2HB GLN 10 -2.895 -10.781 -27.004 40 HG2 GLN 10 1HG GLN 10 -1.826 -10.335 -28.960 41 HG3 GLN 10 2HG GLN 10 -1.070 -8.900 -28.297 42 HE21 GLN 10 1HE2 GLN 10 1.034 -8.909 -28.234 43 HE22 GLN 10 2HE2 GLN 10 2.081 -10.283 -28.110 44 H ILE 11 H ILE 11 -4.322 -7.156 -25.464 45 HA ILE 11 HA ILE 11 -5.884 -7.117 -23.905 46 HB ILE 11 HB ILE 11 -5.671 -10.109 -24.203 47 HG12 ILE 11 1HG1 ILE 11 -6.453 -9.079 -26.204 48 HG13 ILE 11 2HG1 ILE 11 -7.840 -9.792 -25.405 49 HG21 ILE 11 1HG2 ILE 11 -7.636 -10.390 -22.902 50 HG22 ILE 11 2HG2 ILE 11 -6.515 -9.407 -21.930 51 HG23 ILE 11 3HG2 ILE 11 -7.884 -8.633 -22.764 52 HD11 ILE 11 1HD1 ILE 11 -7.211 -6.931 -25.910 53 HD12 ILE 11 2HD1 ILE 11 -8.789 -7.736 -25.735 54 HD13 ILE 11 3HD1 ILE 11 -7.860 -7.275 -24.289 55 H VAL 12 H VAL 12 -5.969 -6.778 -21.680 56 HA VAL 12 HA VAL 12 -3.768 -7.993 -20.162 57 HB VAL 12 HB VAL 12 -3.528 -5.532 -20.904 58 HG11 VAL 12 1HG1 VAL 12 -5.755 -4.743 -20.380 59 HG12 VAL 12 2HG1 VAL 12 -5.575 -5.240 -18.681 60 HG13 VAL 12 3HG1 VAL 12 -4.584 -3.912 -19.329 61 HG21 VAL 12 1HG2 VAL 12 -2.511 -6.968 -18.819 62 HG22 VAL 12 2HG2 VAL 12 -2.024 -5.308 -19.235 63 HG23 VAL 12 3HG2 VAL 12 -3.237 -5.587 -17.962 64 H HIS 13 H HIS 13 -4.307 -8.810 -18.152 65 HA HIS 13 HA HIS 13 -7.034 -9.279 -17.682 66 HB2 HIS 13 1HB HIS 13 -6.085 -10.136 -15.434 67 HB3 HIS 13 2HB HIS 13 -5.657 -10.963 -16.919 68 HD1 HIS 13 1HD HIS 13 -3.200 -10.376 -17.921 69 HD2 HIS 13 2HD HIS 13 -3.946 -9.174 -13.972 70 HE1 HIS 13 1HE HIS 13 -0.921 -9.904 -16.875 71 H THR 14 H THR 14 -4.602 -7.417 -15.712 72 HA THR 14 HA THR 14 -6.806 -5.614 -14.972 73 HB THR 14 HB THR 14 -4.604 -6.420 -13.037 74 HG1 THR 14 1HG THR 14 -5.815 -8.292 -12.632 75 HG21 THR 14 1HG2 THR 14 -6.359 -4.551 -12.572 76 HG22 THR 14 2HG2 THR 14 -7.564 -5.861 -12.544 77 HG23 THR 14 3HG2 THR 14 -6.236 -5.848 -11.359 78 H GLU 15 H GLU 15 -6.127 -3.442 -14.340 79 HA GLU 15 HA GLU 15 -3.915 -2.671 -16.008 80 HB2 GLU 15 1HB GLU 15 -6.162 -1.190 -14.616 81 HB3 GLU 15 2HB GLU 15 -4.784 -0.306 -15.240 82 HG2 GLU 15 1HG GLU 15 -6.551 -0.372 -16.945 83 HG3 GLU 15 2HG GLU 15 -5.167 -1.290 -17.504 84 H THR 16 H THR 16 -2.133 -1.321 -15.250 85 HA THR 16 HA THR 16 -1.784 -1.329 -12.334 86 HB THR 16 HB THR 16 0.716 -1.904 -13.043 87 HG1 THR 16 1HG THR 16 0.792 -2.680 -15.141 88 HG21 THR 16 1HG2 THR 16 -1.020 -4.283 -13.584 89 HG22 THR 16 2HG2 THR 16 0.318 -4.102 -12.424 90 HG23 THR 16 3HG2 THR 16 -1.299 -3.476 -12.022 91 H THR 17 H THR 17 -0.958 0.511 -11.470 92 HA THR 17 HA THR 17 0.024 2.506 -13.401 93 HB THR 17 HB THR 17 -2.387 2.865 -12.594 94 HG1 THR 17 1HG THR 17 -0.146 4.607 -11.859 95 HG21 THR 17 1HG2 THR 17 -0.872 3.296 -9.966 96 HG22 THR 17 2HG2 THR 17 -2.509 3.922 -10.281 97 HG23 THR 17 3HG2 THR 17 -2.220 2.166 -10.241 98 H GLU 18 H GLU 18 1.723 3.831 -12.745 99 HA GLU 18 HA GLU 18 3.102 2.747 -10.435 100 HB2 GLU 18 1HB GLU 18 4.171 2.914 -12.784 101 HB3 GLU 18 2HB GLU 18 4.244 4.645 -12.520 102 HG2 GLU 18 1HG GLU 18 5.561 4.262 -10.419 103 HG3 GLU 18 2HG GLU 18 5.500 2.534 -10.703 104 H VAL 19 H VAL 19 2.979 3.847 -8.531 105 HA VAL 19 HA VAL 19 2.372 6.714 -8.698 106 HB VAL 19 HB VAL 19 1.747 4.562 -6.692 107 HG11 VAL 19 1HG1 VAL 19 2.321 6.092 -5.105 108 HG12 VAL 19 2HG1 VAL 19 2.132 7.476 -6.207 109 HG13 VAL 19 3HG1 VAL 19 0.696 6.718 -5.478 110 HG21 VAL 19 1HG2 VAL 19 0.288 5.384 -8.767 111 HG22 VAL 19 2HG2 VAL 19 -0.452 4.925 -7.215 112 HG23 VAL 19 3HG2 VAL 19 -0.195 6.643 -7.605 113 H VAL 20 H VAL 20 4.209 7.907 -8.583 114 HA VAL 20 HA VAL 20 6.426 6.861 -7.019 115 HB VAL 20 HB VAL 20 6.133 9.193 -8.920 116 HG11 VAL 20 1HG1 VAL 20 8.833 8.279 -8.070 117 HG12 VAL 20 2HG1 VAL 20 8.243 9.910 -8.470 118 HG13 VAL 20 3HG1 VAL 20 7.892 9.203 -6.875 119 HG21 VAL 20 1HG2 VAL 20 7.119 6.377 -9.163 120 HG22 VAL 20 2HG2 VAL 20 6.199 7.373 -10.316 121 HG23 VAL 20 3HG2 VAL 20 7.945 7.646 -10.100 122 H LEU 21 H LEU 21 6.146 7.192 -4.851 123 HA LEU 21 HA LEU 21 5.018 9.744 -4.012 124 HB2 LEU 21 1HB LEU 21 5.638 7.216 -2.478 125 HB3 LEU 21 2HB LEU 21 4.938 8.666 -1.787 126 HG LEU 21 HG LEU 21 3.694 6.813 -3.829 127 HD11 LEU 21 1HD1 LEU 21 1.882 6.832 -1.966 128 HD12 LEU 21 2HD1 LEU 21 3.352 5.852 -1.750 129 HD13 LEU 21 3HD1 LEU 21 3.201 7.424 -0.928 130 HD21 LEU 21 1HD2 LEU 21 2.869 8.774 -4.662 131 HD22 LEU 21 2HD2 LEU 21 1.676 8.464 -3.379 132 HD23 LEU 21 3HD2 LEU 21 2.995 9.626 -3.105 133 H CYS 22 H CYS 22 6.119 11.149 -2.533 134 HA CYS 22 HA CYS 22 8.976 10.588 -2.287 135 HB2 CYS 22 1HB CYS 22 8.159 13.418 -2.784 136 HB3 CYS 22 2HB CYS 22 9.659 12.597 -3.167 137 HG CYS 22 HG CYS 22 8.066 13.437 -5.274 138 H GLY 23 H GLY 23 9.279 10.407 -0.090 139 HA2 GLY 23 1HA GLY 23 7.952 12.411 1.627 140 HA3 GLY 23 2HA GLY 23 7.940 10.706 2.033 141 H ASP 24 H ASP 24 9.024 12.055 3.994 142 HA ASP 24 HA ASP 24 11.829 12.444 3.487 143 HB2 ASP 24 1HB ASP 24 9.884 13.459 5.343 144 HB3 ASP 24 2HB ASP 24 11.099 12.626 6.292 145 HA PRO 25 HA PRO 25 12.980 8.693 5.452 146 HB2 PRO 25 1HB PRO 25 15.207 9.319 6.906 147 HB3 PRO 25 2HB PRO 25 15.233 9.075 5.171 148 HG2 PRO 25 1HG PRO 25 15.378 11.607 6.689 149 HG3 PRO 25 2HG PRO 25 15.821 11.300 5.021 150 HD2 PRO 25 1HD PRO 25 13.446 12.610 5.952 151 HD3 PRO 25 2HD PRO 25 13.835 12.199 4.294 152 H LEU 26 H LEU 26 12.195 11.327 7.462 153 HA LEU 26 HA LEU 26 11.886 9.475 9.712 154 HB2 LEU 26 1HB LEU 26 12.666 12.272 9.441 155 HB3 LEU 26 2HB LEU 26 11.389 12.046 10.619 156 HG LEU 26 HG LEU 26 13.827 10.292 10.723 157 HD11 LEU 26 1HD1 LEU 26 14.364 12.852 10.558 158 HD12 LEU 26 2HD1 LEU 26 13.799 12.873 12.246 159 HD13 LEU 26 3HD1 LEU 26 15.167 11.835 11.778 160 HD21 LEU 26 1HD2 LEU 26 12.029 9.654 12.170 161 HD22 LEU 26 2HD2 LEU 26 13.315 10.374 13.167 162 HD23 LEU 26 3HD2 LEU 26 11.856 11.317 12.780 163 H SER 27 H SER 27 10.194 12.181 7.975 164 HA SER 27 HA SER 27 7.751 11.602 9.215 165 HB2 SER 27 1HB SER 27 8.384 13.817 8.214 166 HB3 SER 27 2HB SER 27 8.290 13.105 6.615 167 HG SER 27 HG SER 27 5.980 12.552 7.991 168 H GLY 28 H GLY 28 9.547 9.980 6.802 169 HA2 GLY 28 1HA GLY 28 9.084 8.293 5.394 170 HA3 GLY 28 2HA GLY 28 7.657 7.987 6.365 171 H PHE 29 H PHE 29 6.213 7.520 4.670 172 HA PHE 29 HA PHE 29 5.883 9.617 2.660 173 HB2 PHE 29 1HB PHE 29 5.048 6.679 2.973 174 HB3 PHE 29 2HB PHE 29 4.412 7.670 1.675 175 HD1 PHE 29 2HD PHE 29 6.493 9.077 0.489 176 HD2 PHE 29 1HD PHE 29 6.715 5.250 2.309 177 HE1 PHE 29 2HE PHE 29 8.500 8.527 -0.914 178 HE2 PHE 29 1HE PHE 29 8.722 4.700 0.906 179 HZ PHE 29 HZ PHE 29 9.591 6.344 -0.689 180 H GLY 30 H GLY 30 3.443 7.231 3.766 181 HA2 GLY 30 1HA GLY 30 1.902 8.311 5.562 182 HA3 GLY 30 2HA GLY 30 1.606 9.463 4.275 183 H LEU 31 H LEU 31 1.694 5.880 4.870 184 HA LEU 31 HA LEU 31 -0.917 5.560 3.841 185 HB2 LEU 31 1HB LEU 31 -0.630 4.744 1.756 186 HB3 LEU 31 2HB LEU 31 0.665 5.923 1.787 187 HG LEU 31 HG LEU 31 1.844 3.566 2.743 188 HD11 LEU 31 1HD1 LEU 31 1.240 2.207 0.496 189 HD12 LEU 31 2HD1 LEU 31 0.432 1.944 2.060 190 HD13 LEU 31 3HD1 LEU 31 -0.334 2.971 0.824 191 HD21 LEU 31 1HD2 LEU 31 3.104 5.045 1.440 192 HD22 LEU 31 2HD2 LEU 31 2.923 3.600 0.417 193 HD23 LEU 31 3HD2 LEU 31 1.918 5.037 0.112 194 H GLN 32 H GLN 32 -1.779 3.617 4.557 195 HA GLN 32 HA GLN 32 0.122 1.999 6.053 196 HB2 GLN 32 1HB GLN 32 -2.587 2.977 6.580 197 HB3 GLN 32 2HB GLN 32 -2.503 1.238 6.774 198 HG2 GLN 32 1HG GLN 32 -0.697 3.293 8.133 199 HG3 GLN 32 2HG GLN 32 -1.959 2.354 8.905 200 HE21 GLN 32 1HE2 GLN 32 1.278 2.574 8.308 201 HE22 GLN 32 2HE2 GLN 32 1.782 0.943 8.601 202 H LEU 33 H LEU 33 -0.264 -0.404 6.083 203 HA LEU 33 HA LEU 33 -1.489 -1.281 3.560 204 HB2 LEU 33 1HB LEU 33 1.074 -2.210 4.855 205 HB3 LEU 33 2HB LEU 33 0.270 -3.068 3.556 206 HG LEU 33 HG LEU 33 1.269 -0.215 3.346 207 HD11 LEU 33 1HD1 LEU 33 2.569 -2.757 2.327 208 HD12 LEU 33 2HD1 LEU 33 3.142 -1.093 2.064 209 HD13 LEU 33 3HD1 LEU 33 3.129 -1.780 3.706 210 HD21 LEU 33 1HD2 LEU 33 -0.603 -0.790 1.838 211 HD22 LEU 33 2HD2 LEU 33 0.911 -0.451 0.966 212 HD23 LEU 33 3HD2 LEU 33 0.365 -2.132 1.180 213 H GLN 34 H GLN 34 -2.733 -3.178 3.630 214 HA GLN 34 HA GLN 34 -3.140 -4.184 6.339 215 HB2 GLN 34 1HB GLN 34 -5.165 -3.100 5.905 216 HB3 GLN 34 2HB GLN 34 -5.101 -3.424 4.184 217 HG2 GLN 34 1HG GLN 34 -5.241 -5.863 5.891 218 HG3 GLN 34 2HG GLN 34 -6.652 -4.829 5.991 219 HE21 GLN 34 1HE2 GLN 34 -4.978 -7.160 4.210 220 HE22 GLN 34 2HE2 GLN 34 -5.941 -7.184 2.771 221 H GLY 35 H GLY 35 -2.561 -6.297 6.581 222 HA2 GLY 35 1HA GLY 35 -3.107 -8.187 4.437 223 HA3 GLY 35 2HA GLY 35 -1.415 -7.927 4.813 224 H GLY 36 H GLY 36 -1.131 -10.086 5.615 225 HA2 GLY 36 1HA GLY 36 -2.699 -11.445 7.400 226 HA3 GLY 36 2HA GLY 36 -0.957 -11.589 7.281 227 H ILE 37 H ILE 37 -2.202 -11.936 9.758 228 HA ILE 37 HA ILE 37 -2.138 -9.441 11.184 229 HB ILE 37 HB ILE 37 -2.574 -12.311 11.998 230 HG12 ILE 37 1HG1 ILE 37 -4.776 -10.629 12.592 231 HG13 ILE 37 2HG1 ILE 37 -4.270 -10.219 10.965 232 HG21 ILE 37 1HG2 ILE 37 -3.422 -10.567 14.055 233 HG22 ILE 37 2HG2 ILE 37 -2.126 -11.787 14.104 234 HG23 ILE 37 3HG2 ILE 37 -1.752 -10.108 13.645 235 HD11 ILE 37 1HD1 ILE 37 -5.045 -12.964 12.032 236 HD12 ILE 37 2HD1 ILE 37 -5.826 -12.032 10.732 237 HD13 ILE 37 3HD1 ILE 37 -4.216 -12.746 10.472 238 H PHE 38 H PHE 38 -0.173 -12.483 11.040 239 HA PHE 38 HA PHE 38 1.746 -11.563 12.875 240 HB2 PHE 38 1HB PHE 38 1.480 -13.684 10.701 241 HB3 PHE 38 2HB PHE 38 3.057 -13.440 11.426 242 HD1 PHE 38 2HD PHE 38 -0.302 -13.330 13.032 243 HD2 PHE 38 1HD PHE 38 3.418 -15.345 12.708 244 HE1 PHE 38 2HE PHE 38 -0.948 -14.829 14.939 245 HE2 PHE 38 1HE PHE 38 2.772 -16.844 14.615 246 HZ PHE 38 HZ PHE 38 0.597 -16.568 15.708 247 H ALA 39 H ALA 39 3.988 -10.941 12.465 248 HA ALA 39 HA ALA 39 4.163 -9.257 10.099 249 HB1 ALA 39 1HB ALA 39 6.311 -9.375 12.182 250 HB2 ALA 39 2HB ALA 39 5.622 -7.972 11.330 251 HB3 ALA 39 3HB ALA 39 4.727 -8.727 12.671 252 H THR 40 H THR 40 5.543 -12.184 11.597 253 HA THR 40 HA THR 40 7.493 -12.364 9.416 254 HB THR 40 HB THR 40 8.584 -14.002 10.880 255 HG1 THR 40 1HG THR 40 6.356 -13.535 12.701 256 HG21 THR 40 1HG2 THR 40 7.825 -11.352 11.905 257 HG22 THR 40 2HG2 THR 40 8.006 -12.529 13.228 258 HG23 THR 40 3HG2 THR 40 9.358 -12.233 12.110 259 H GLU 41 H GLU 41 5.455 -12.622 7.998 260 HA GLU 41 HA GLU 41 5.264 -15.425 7.520 261 HB2 GLU 41 1HB GLU 41 3.055 -13.941 8.816 262 HB3 GLU 41 2HB GLU 41 2.557 -14.797 7.370 263 HG2 GLU 41 1HG GLU 41 4.327 -16.485 8.968 264 HG3 GLU 41 2HG GLU 41 3.008 -15.896 9.959 265 H THR 42 H THR 42 5.250 -15.748 5.322 266 HA THR 42 HA THR 42 5.564 -13.688 3.541 267 HB THR 42 HB THR 42 4.542 -16.555 3.227 268 HG1 THR 42 1HG THR 42 6.766 -15.900 4.069 269 HG21 THR 42 1HG2 THR 42 5.671 -14.659 1.100 270 HG22 THR 42 2HG2 THR 42 5.249 -16.372 0.863 271 HG23 THR 42 3HG2 THR 42 3.970 -15.176 1.184 272 H LEU 43 H LEU 43 4.134 -13.131 1.626 273 HA LEU 43 HA LEU 43 1.403 -12.738 2.639 274 HB2 LEU 43 1HB LEU 43 3.256 -10.940 1.106 275 HB3 LEU 43 2HB LEU 43 1.519 -10.732 1.002 276 HG LEU 43 HG LEU 43 3.224 -10.539 3.497 277 HD11 LEU 43 1HD1 LEU 43 3.529 -8.519 2.458 278 HD12 LEU 43 2HD1 LEU 43 1.932 -8.550 1.672 279 HD13 LEU 43 3HD1 LEU 43 2.062 -8.179 3.408 280 HD21 LEU 43 1HD2 LEU 43 1.060 -9.807 4.588 281 HD22 LEU 43 2HD2 LEU 43 0.219 -10.495 3.178 282 HD23 LEU 43 3HD2 LEU 43 1.209 -11.543 4.223 283 H SER 44 H SER 44 0.075 -14.178 1.666 284 HA SER 44 HA SER 44 0.763 -15.277 -0.841 285 HB2 SER 44 1HB SER 44 -1.403 -15.607 1.182 286 HB3 SER 44 2HB SER 44 -1.860 -16.003 -0.462 287 HG SER 44 HG SER 44 -0.093 -17.325 1.284 288 H SER 45 H SER 45 -1.027 -12.481 0.280 289 HA SER 45 HA SER 45 -1.815 -12.002 -2.477 290 HB2 SER 45 1HB SER 45 -3.571 -12.291 -0.148 291 HB3 SER 45 2HB SER 45 -3.763 -10.714 -0.886 292 HG SER 45 HG SER 45 -3.840 -13.199 -2.371 293 HA PRO 46 HA PRO 46 -0.239 -8.018 -1.708 294 HB2 PRO 46 1HB PRO 46 -1.796 -6.372 -3.235 295 HB3 PRO 46 2HB PRO 46 -0.507 -7.357 -3.897 296 HG2 PRO 46 1HG PRO 46 -3.429 -7.775 -4.062 297 HG3 PRO 46 2HG PRO 46 -2.162 -8.479 -5.046 298 HD2 PRO 46 1HD PRO 46 -3.599 -9.764 -2.922 299 HD3 PRO 46 2HD PRO 46 -2.254 -10.427 -3.829 300 HA PRO 47 HA PRO 47 -2.330 -6.233 1.538 301 HB2 PRO 47 1HB PRO 47 -0.591 -4.225 2.177 302 HB3 PRO 47 2HB PRO 47 -0.388 -5.878 2.723 303 HG2 PRO 47 1HG PRO 47 1.085 -4.431 0.608 304 HG3 PRO 47 2HG PRO 47 1.535 -5.900 1.450 305 HD2 PRO 47 1HD PRO 47 0.491 -5.701 -1.214 306 HD3 PRO 47 2HD PRO 47 0.832 -7.175 -0.329 307 H LEU 48 H LEU 48 -3.873 -4.702 2.014 308 HA LEU 48 HA LEU 48 -4.289 -2.893 -0.234 309 HB2 LEU 48 1HB LEU 48 -6.112 -3.703 2.036 310 HB3 LEU 48 2HB LEU 48 -6.543 -2.635 0.714 311 HG LEU 48 HG LEU 48 -6.945 -5.365 0.817 312 HD11 LEU 48 1HD1 LEU 48 -7.563 -5.121 -1.594 313 HD12 LEU 48 2HD1 LEU 48 -8.261 -3.883 -0.522 314 HD13 LEU 48 3HD1 LEU 48 -6.867 -3.483 -1.554 315 HD21 LEU 48 1HD2 LEU 48 -4.473 -4.797 -0.823 316 HD22 LEU 48 2HD2 LEU 48 -4.716 -6.027 0.441 317 HD23 LEU 48 3HD2 LEU 48 -5.532 -6.194 -1.132 318 H VAL 49 H VAL 49 -5.121 -0.639 0.337 319 HA VAL 49 HA VAL 49 -3.222 0.515 2.155 320 HB VAL 49 HB VAL 49 -5.283 1.546 0.224 321 HG11 VAL 49 1HG1 VAL 49 -3.974 3.815 0.975 322 HG12 VAL 49 2HG1 VAL 49 -5.565 3.318 1.601 323 HG13 VAL 49 3HG1 VAL 49 -4.091 2.964 2.534 324 HG21 VAL 49 1HG2 VAL 49 -2.826 2.741 -0.271 325 HG22 VAL 49 2HG2 VAL 49 -2.392 1.091 0.237 326 HG23 VAL 49 3HG2 VAL 49 -3.508 1.337 -1.128 327 H CYS 50 H CYS 50 -4.009 -0.568 4.132 328 HA CYS 50 HA CYS 50 -6.459 -0.567 5.168 329 HB2 CYS 50 1HB CYS 50 -4.087 -1.208 6.174 330 HB3 CYS 50 2HB CYS 50 -4.252 0.334 6.991 331 HG CYS 50 HG CYS 50 -5.044 -1.957 8.345 332 H PHE 51 H PHE 51 -4.075 2.157 5.626 333 HA PHE 51 HA PHE 51 -6.325 4.007 5.528 334 HB2 PHE 51 1HB PHE 51 -6.026 3.725 7.907 335 HB3 PHE 51 2HB PHE 51 -4.297 3.489 7.747 336 HD1 PHE 51 1HD PHE 51 -6.973 6.037 7.641 337 HD2 PHE 51 2HD PHE 51 -2.797 5.319 7.879 338 HE1 PHE 51 1HE PHE 51 -6.590 8.451 8.213 339 HE2 PHE 51 2HE PHE 51 -2.415 7.733 8.451 340 HZ PHE 51 HZ PHE 51 -4.316 9.270 8.611 341 H ILE 52 H ILE 52 -5.496 6.351 5.398 342 HA ILE 52 HA ILE 52 -2.841 6.441 4.171 343 HB ILE 52 HB ILE 52 -5.403 7.511 2.989 344 HG12 ILE 52 1HG1 ILE 52 -3.406 5.441 2.034 345 HG13 ILE 52 2HG1 ILE 52 -5.060 5.154 2.539 346 HG21 ILE 52 1HG2 ILE 52 -3.831 8.282 1.129 347 HG22 ILE 52 2HG2 ILE 52 -3.862 9.244 2.626 348 HG23 ILE 52 3HG2 ILE 52 -2.522 8.112 2.323 349 HD11 ILE 52 1HD1 ILE 52 -4.053 6.520 0.035 350 HD12 ILE 52 2HD1 ILE 52 -5.276 5.238 0.202 351 HD13 ILE 52 3HD1 ILE 52 -5.673 6.912 0.660 352 H GLU 53 H GLU 53 -1.663 8.300 4.634 353 HA GLU 53 HA GLU 53 -2.650 9.771 6.846 354 HB2 GLU 53 1HB GLU 53 -0.077 9.533 5.345 355 HB3 GLU 53 2HB GLU 53 -0.341 11.063 6.158 356 HG2 GLU 53 1HG GLU 53 -1.138 9.263 8.112 357 HG3 GLU 53 2HG GLU 53 0.137 8.363 7.315 358 HA PRO 54 HA PRO 54 -4.307 13.070 4.541 359 HB2 PRO 54 1HB PRO 54 -4.716 14.866 6.559 360 HB3 PRO 54 2HB PRO 54 -5.824 13.557 6.203 361 HG2 PRO 54 1HG PRO 54 -3.888 13.792 8.424 362 HG3 PRO 54 2HG PRO 54 -5.273 12.728 8.283 363 HD2 PRO 54 1HD PRO 54 -2.518 12.014 7.931 364 HD3 PRO 54 2HD PRO 54 -3.909 10.979 7.678 365 H ASP 55 H ASP 55 -3.665 14.761 3.293 366 HA ASP 55 HA ASP 55 -2.353 16.326 2.561 367 HB2 ASP 55 1HB ASP 55 -1.007 16.503 5.289 368 HB3 ASP 55 2HB ASP 55 -1.099 17.759 4.070 369 H SER 56 H SER 56 -1.494 13.323 3.290 370 HA SER 56 HA SER 56 1.354 13.583 3.313 371 HB2 SER 56 1HB SER 56 1.340 11.417 4.017 372 HB3 SER 56 2HB SER 56 -0.376 11.674 4.260 373 HG SER 56 HG SER 56 -0.704 10.145 2.811 374 HA PRO 57 HA PRO 57 2.008 12.825 -0.938 375 HB2 PRO 57 1HB PRO 57 3.776 10.752 -1.149 376 HB3 PRO 57 2HB PRO 57 4.257 12.381 -0.719 377 HG2 PRO 57 1HG PRO 57 4.004 10.005 1.020 378 HG3 PRO 57 2HG PRO 57 4.870 11.498 1.321 379 HD2 PRO 57 1HD PRO 57 2.337 10.730 2.426 380 HD3 PRO 57 2HD PRO 57 3.147 12.270 2.634 381 H ALA 58 H ALA 58 1.441 9.697 0.575 382 HA ALA 58 HA ALA 58 0.599 8.383 -1.706 383 HB1 ALA 58 1HB ALA 58 0.275 6.706 -0.226 384 HB2 ALA 58 2HB ALA 58 0.886 7.838 1.005 385 HB3 ALA 58 3HB ALA 58 -0.867 7.670 0.741 386 H GLU 59 H GLU 59 -1.072 10.701 0.438 387 HA GLU 59 HA GLU 59 -3.607 10.157 -0.708 388 HB2 GLU 59 1HB GLU 59 -3.129 11.077 1.643 389 HB3 GLU 59 2HB GLU 59 -2.791 12.620 0.884 390 HG2 GLU 59 1HG GLU 59 -5.155 12.469 1.674 391 HG3 GLU 59 2HG GLU 59 -5.058 12.724 -0.057 392 H ARG 60 H ARG 60 -1.041 12.665 -1.087 393 HA ARG 60 HA ARG 60 -2.363 14.421 -2.646 394 HB2 ARG 60 1HB ARG 60 0.524 13.500 -2.552 395 HB3 ARG 60 2HB ARG 60 0.048 14.655 -3.781 396 HG2 ARG 60 1HG ARG 60 -1.136 15.717 -1.491 397 HG3 ARG 60 2HG ARG 60 0.345 15.032 -0.854 398 HD2 ARG 60 1HD ARG 60 1.718 16.343 -2.361 399 HD3 ARG 60 2HD ARG 60 0.335 16.809 -3.332 400 HE ARG 60 HE ARG 60 -0.337 17.773 -0.835 401 HH11 ARG 60 2HH2 ARG 60 2.517 18.123 -2.864 402 HH12 ARG 60 1HH2 ARG 60 2.918 19.692 -2.250 403 HH21 ARG 60 2HH1 ARG 60 0.191 19.844 -0.025 404 HH22 ARG 60 1HH1 ARG 60 1.586 20.678 -0.624 405 H CYS 61 H CYS 61 -1.253 11.157 -3.420 406 HA CYS 61 HA CYS 61 -1.120 11.393 -6.192 407 HB2 CYS 61 1HB CYS 61 -0.914 9.307 -4.238 408 HB3 CYS 61 2HB CYS 61 -2.017 8.769 -5.489 409 HG CYS 61 HG CYS 61 -0.260 9.952 -7.387 410 H GLY 62 H GLY 62 -3.780 11.129 -3.855 411 HA2 GLY 62 1HA GLY 62 -6.004 11.363 -4.110 412 HA3 GLY 62 2HA GLY 62 -5.728 11.894 -5.756 413 H LEU 63 H LEU 63 -4.810 9.899 -7.226 414 HA LEU 63 HA LEU 63 -6.948 8.194 -7.567 415 HB2 LEU 63 1HB LEU 63 -5.871 7.824 -9.446 416 HB3 LEU 63 2HB LEU 63 -4.540 8.793 -8.846 417 HG LEU 63 HG LEU 63 -3.667 6.715 -9.640 418 HD11 LEU 63 1HD1 LEU 63 -3.253 7.667 -7.051 419 HD12 LEU 63 2HD1 LEU 63 -3.406 5.903 -6.867 420 HD13 LEU 63 3HD1 LEU 63 -2.195 6.579 -7.981 421 HD21 LEU 63 1HD2 LEU 63 -6.097 5.624 -8.786 422 HD22 LEU 63 2HD2 LEU 63 -4.737 4.770 -9.554 423 HD23 LEU 63 3HD2 LEU 63 -4.855 4.840 -7.780 424 H LEU 64 H LEU 64 -4.380 8.117 -5.218 425 HA LEU 64 HA LEU 64 -4.646 5.277 -4.762 426 HB2 LEU 64 1HB LEU 64 -2.480 6.462 -4.613 427 HB3 LEU 64 2HB LEU 64 -3.094 7.388 -3.258 428 HG LEU 64 HG LEU 64 -3.507 4.662 -2.603 429 HD11 LEU 64 1HD1 LEU 64 -0.656 5.116 -3.514 430 HD12 LEU 64 2HD1 LEU 64 -1.354 3.638 -2.809 431 HD13 LEU 64 3HD1 LEU 64 -1.864 4.180 -4.426 432 HD21 LEU 64 1HD2 LEU 64 -2.619 5.314 -0.648 433 HD22 LEU 64 2HD2 LEU 64 -1.168 6.003 -1.415 434 HD23 LEU 64 3HD2 LEU 64 -2.678 6.943 -1.364 435 H GLN 65 H GLN 65 -5.680 4.300 -3.000 436 HA GLN 65 HA GLN 65 -6.788 5.881 -0.947 437 HB2 GLN 65 1HB GLN 65 -9.174 5.480 -1.426 438 HB3 GLN 65 2HB GLN 65 -8.435 6.415 -2.711 439 HG2 GLN 65 1HG GLN 65 -8.009 4.013 -3.801 440 HG3 GLN 65 2HG GLN 65 -9.312 3.520 -2.737 441 HE21 GLN 65 1HE2 GLN 65 -8.442 6.134 -4.992 442 HE22 GLN 65 2HE2 GLN 65 -9.996 6.309 -5.739 443 H VAL 66 H VAL 66 -8.552 4.295 0.284 444 HA VAL 66 HA VAL 66 -7.011 2.061 1.035 445 HB VAL 66 HB VAL 66 -9.865 2.871 1.619 446 HG11 VAL 66 1HG1 VAL 66 -8.280 0.981 3.341 447 HG12 VAL 66 2HG1 VAL 66 -10.042 1.203 3.221 448 HG13 VAL 66 3HG1 VAL 66 -9.161 0.366 1.921 449 HG21 VAL 66 1HG2 VAL 66 -8.780 3.467 3.869 450 HG22 VAL 66 2HG2 VAL 66 -7.225 3.357 3.010 451 HG23 VAL 66 3HG2 VAL 66 -8.448 4.540 2.489 452 H GLY 67 H GLY 67 -7.075 -0.070 0.409 453 HA2 GLY 67 1HA GLY 67 -7.823 -1.951 -0.619 454 HA3 GLY 67 2HA GLY 67 -9.319 -1.139 -1.036 455 H ASP 68 H ASP 68 -5.888 -0.222 -1.779 456 HA ASP 68 HA ASP 68 -6.701 0.003 -4.542 457 HB2 ASP 68 1HB ASP 68 -4.840 1.364 -2.791 458 HB3 ASP 68 2HB ASP 68 -3.932 0.696 -4.133 459 H ARG 69 H ARG 69 -5.167 -2.163 -2.346 460 HA ARG 69 HA ARG 69 -4.043 -3.996 -2.548 461 HB2 ARG 69 1HB ARG 69 -4.932 -3.811 -5.467 462 HB3 ARG 69 2HB ARG 69 -4.097 -5.210 -4.821 463 HG2 ARG 69 1HG ARG 69 -6.144 -5.998 -4.222 464 HG3 ARG 69 2HG ARG 69 -6.122 -4.803 -2.941 465 HD2 ARG 69 1HD ARG 69 -7.696 -3.494 -3.970 466 HD3 ARG 69 2HD ARG 69 -6.933 -3.648 -5.540 467 HE ARG 69 HE ARG 69 -9.037 -5.392 -4.430 468 HH11 ARG 69 2HH2 ARG 69 -6.596 -4.963 -6.928 469 HH12 ARG 69 1HH2 ARG 69 -7.322 -6.102 -8.012 470 HH21 ARG 69 2HH1 ARG 69 -9.995 -6.895 -5.860 471 HH22 ARG 69 1HH1 ARG 69 -9.268 -7.209 -7.401 472 H VAL 70 H VAL 70 -1.839 -3.875 -2.253 473 HA VAL 70 HA VAL 70 -0.284 -2.404 -4.234 474 HB VAL 70 HB VAL 70 0.239 -3.337 -1.412 475 HG11 VAL 70 1HG1 VAL 70 2.398 -3.523 -2.069 476 HG12 VAL 70 2HG1 VAL 70 2.147 -2.553 -3.541 477 HG13 VAL 70 3HG1 VAL 70 2.370 -1.746 -1.970 478 HG21 VAL 70 1HG2 VAL 70 0.615 -0.508 -2.158 479 HG22 VAL 70 2HG2 VAL 70 -1.056 -1.100 -2.318 480 HG23 VAL 70 3HG2 VAL 70 -0.212 -1.229 -0.756 481 H LEU 71 H LEU 71 0.675 -3.511 -5.851 482 HA LEU 71 HA LEU 71 0.904 -6.374 -5.619 483 HB2 LEU 71 1HB LEU 71 1.574 -4.462 -7.860 484 HB3 LEU 71 2HB LEU 71 1.674 -6.208 -7.965 485 HG LEU 71 HG LEU 71 -0.776 -4.470 -7.748 486 HD11 LEU 71 1HD1 LEU 71 -1.246 -6.426 -9.612 487 HD12 LEU 71 2HD1 LEU 71 -0.636 -4.789 -9.957 488 HD13 LEU 71 3HD1 LEU 71 0.503 -6.147 -9.790 489 HD21 LEU 71 1HD2 LEU 71 -0.470 -7.318 -6.874 490 HD22 LEU 71 2HD2 LEU 71 -1.439 -6.002 -6.171 491 HD23 LEU 71 3HD2 LEU 71 -1.978 -6.802 -7.666 492 H SER 72 H SER 72 3.153 -3.590 -6.261 493 HA SER 72 HA SER 72 5.147 -5.077 -4.783 494 HB2 SER 72 1HB SER 72 6.855 -4.349 -6.587 495 HB3 SER 72 2HB SER 72 5.813 -5.708 -6.963 496 HG SER 72 HG SER 72 4.380 -4.149 -8.083 497 H ILE 73 H ILE 73 6.958 -3.648 -4.031 498 HA ILE 73 HA ILE 73 6.194 -0.814 -4.103 499 HB ILE 73 HB ILE 73 7.111 -2.443 -1.733 500 HG12 ILE 73 1HG1 ILE 73 4.560 -0.850 -2.059 501 HG13 ILE 73 2HG1 ILE 73 4.674 -2.548 -2.476 502 HG21 ILE 73 1HG2 ILE 73 6.413 0.464 -1.547 503 HG22 ILE 73 2HG2 ILE 73 7.439 -0.538 -0.493 504 HG23 ILE 73 3HG2 ILE 73 8.043 -0.011 -2.082 505 HD11 ILE 73 1HD1 ILE 73 5.070 -1.268 0.255 506 HD12 ILE 73 2HD1 ILE 73 3.883 -2.506 -0.219 507 HD13 ILE 73 3HD1 ILE 73 5.608 -2.929 -0.095 508 H ASN 74 H ASN 74 7.702 0.233 -5.281 509 HA ASN 74 HA ASN 74 9.667 1.040 -5.794 510 HB2 ASN 74 1HB ASN 74 10.256 -0.100 -3.283 511 HB3 ASN 74 2HB ASN 74 11.457 -0.820 -4.338 512 HD21 ASN 74 1HD2 ASN 74 11.583 1.228 -2.176 513 HD22 ASN 74 2HD2 ASN 74 12.410 2.594 -2.848 514 H GLY 75 H GLY 75 8.413 -1.925 -6.390 515 HA2 GLY 75 1HA GLY 75 8.895 -2.898 -8.542 516 HA3 GLY 75 2HA GLY 75 10.605 -2.701 -8.216 517 H ILE 76 H ILE 76 9.442 -3.476 -5.228 518 HA ILE 76 HA ILE 76 10.086 -6.288 -5.641 519 HB ILE 76 HB ILE 76 9.912 -4.598 -3.144 520 HG12 ILE 76 1HG1 ILE 76 11.793 -4.130 -4.780 521 HG13 ILE 76 2HG1 ILE 76 12.263 -4.525 -3.139 522 HG21 ILE 76 1HG2 ILE 76 9.889 -7.465 -3.491 523 HG22 ILE 76 2HG2 ILE 76 11.360 -6.947 -2.634 524 HG23 ILE 76 3HG2 ILE 76 9.757 -6.496 -2.004 525 HD11 ILE 76 1HD1 ILE 76 13.449 -6.315 -3.854 526 HD12 ILE 76 2HD1 ILE 76 12.020 -6.978 -4.683 527 HD13 ILE 76 3HD1 ILE 76 13.086 -5.829 -5.527 528 H ALA 77 H ALA 77 8.519 -7.799 -5.759 529 HA ALA 77 HA ALA 77 5.805 -7.035 -5.415 530 HB1 ALA 77 1HB ALA 77 7.204 -9.688 -5.921 531 HB2 ALA 77 2HB ALA 77 5.436 -9.489 -5.898 532 HB3 ALA 77 3HB ALA 77 6.411 -8.635 -7.117 533 H THR 78 H THR 78 4.611 -7.026 -3.577 534 HA THR 78 HA THR 78 5.794 -7.777 -1.114 535 HB THR 78 HB THR 78 3.715 -6.924 -0.204 536 HG1 THR 78 1HG THR 78 2.786 -7.338 -2.960 537 HG21 THR 78 1HG2 THR 78 5.059 -5.465 -2.244 538 HG22 THR 78 2HG2 THR 78 3.327 -5.329 -2.632 539 HG23 THR 78 3HG2 THR 78 3.926 -4.806 -1.039 540 H GLU 79 H GLU 79 3.585 -9.390 -3.408 541 HA GLU 79 HA GLU 79 2.640 -11.341 -1.757 542 HB2 GLU 79 1HB GLU 79 3.408 -11.633 -4.695 543 HB3 GLU 79 2HB GLU 79 2.293 -12.667 -3.825 544 HG2 GLU 79 1HG GLU 79 1.427 -9.969 -3.377 545 HG3 GLU 79 2HG GLU 79 1.780 -10.104 -5.088 546 H ASP 80 H ASP 80 5.894 -10.783 -2.853 547 HA ASP 80 HA ASP 80 6.597 -13.509 -2.112 548 HB2 ASP 80 1HB ASP 80 7.290 -12.148 -4.373 549 HB3 ASP 80 2HB ASP 80 8.611 -11.647 -3.336 550 H GLY 81 H GLY 81 5.964 -11.839 0.024 551 HA2 GLY 81 1HA GLY 81 8.431 -11.683 1.455 552 HA3 GLY 81 2HA GLY 81 7.837 -10.092 1.023 553 H THR 82 H THR 82 7.982 -10.569 3.686 554 HA THR 82 HA THR 82 5.352 -11.512 4.550 555 HB THR 82 HB THR 82 6.458 -11.423 6.808 556 HG1 THR 82 1HG THR 82 8.809 -10.845 6.637 557 HG21 THR 82 1HG2 THR 82 8.380 -13.023 6.334 558 HG22 THR 82 2HG2 THR 82 6.845 -13.523 5.585 559 HG23 THR 82 3HG2 THR 82 8.108 -12.752 4.596 560 H MET 83 H MET 83 4.044 -10.247 6.031 561 HA MET 83 HA MET 83 3.350 -7.861 5.107 562 HB2 MET 83 1HB MET 83 2.363 -9.349 7.033 563 HB3 MET 83 2HB MET 83 3.406 -8.442 8.110 564 HG2 MET 83 1HG MET 83 1.148 -7.431 8.047 565 HG3 MET 83 2HG MET 83 2.330 -6.313 7.397 566 HE1 MET 83 1HE MET 83 0.805 -4.842 6.004 567 HE2 MET 83 2HE MET 83 2.277 -5.319 5.125 568 HE3 MET 83 3HE MET 83 0.710 -5.284 4.282 569 H GLU 84 H GLU 84 6.070 -8.543 7.319 570 HA GLU 84 HA GLU 84 6.478 -5.844 8.004 571 HB2 GLU 84 1HB GLU 84 7.440 -8.331 8.865 572 HB3 GLU 84 2HB GLU 84 8.856 -7.577 8.159 573 HG2 GLU 84 1HG GLU 84 7.400 -5.609 9.738 574 HG3 GLU 84 2HG GLU 84 7.684 -7.040 10.710 575 H GLU 85 H GLU 85 7.897 -8.106 5.572 576 HA GLU 85 HA GLU 85 9.948 -6.623 4.673 577 HB2 GLU 85 1HB GLU 85 8.035 -8.534 3.345 578 HB3 GLU 85 2HB GLU 85 9.164 -7.662 2.326 579 HG2 GLU 85 1HG GLU 85 11.056 -8.462 3.803 580 HG3 GLU 85 2HG GLU 85 9.901 -9.401 4.728 581 H ALA 86 H ALA 86 6.465 -6.323 3.737 582 HA ALA 86 HA ALA 86 6.816 -4.364 1.793 583 HB1 ALA 86 1HB ALA 86 4.748 -5.554 1.937 584 HB2 ALA 86 2HB ALA 86 4.521 -5.097 3.643 585 HB3 ALA 86 3HB ALA 86 4.375 -3.867 2.364 586 H ASN 87 H ASN 87 5.927 -4.031 5.305 587 HA ASN 87 HA ASN 87 5.880 -1.311 5.346 588 HB2 ASN 87 1HB ASN 87 6.321 -3.494 7.355 589 HB3 ASN 87 2HB ASN 87 6.861 -1.905 7.859 590 HD21 ASN 87 1HD2 ASN 87 4.175 -3.923 7.031 591 HD22 ASN 87 2HD2 ASN 87 2.892 -2.865 7.516 592 H GLN 88 H GLN 88 8.610 -3.641 5.858 593 HA GLN 88 HA GLN 88 10.506 -1.778 6.591 594 HB2 GLN 88 1HB GLN 88 10.851 -4.171 6.917 595 HB3 GLN 88 2HB GLN 88 10.777 -4.471 5.192 596 HG2 GLN 88 1HG GLN 88 13.055 -4.309 5.265 597 HG3 GLN 88 2HG GLN 88 12.780 -2.578 5.288 598 HE21 GLN 88 1HE2 GLN 88 13.527 -1.439 6.916 599 HE22 GLN 88 2HE2 GLN 88 14.081 -2.043 8.442 600 H LEU 89 H LEU 89 9.734 -3.190 3.335 601 HA LEU 89 HA LEU 89 11.652 -1.933 1.862 602 HB2 LEU 89 1HB LEU 89 8.810 -2.694 1.215 603 HB3 LEU 89 2HB LEU 89 9.899 -2.034 0.011 604 HG LEU 89 HG LEU 89 10.606 -4.492 1.618 605 HD11 LEU 89 1HD1 LEU 89 9.697 -5.905 -0.076 606 HD12 LEU 89 2HD1 LEU 89 8.410 -4.791 0.445 607 HD13 LEU 89 3HD1 LEU 89 9.261 -4.511 -1.093 608 HD21 LEU 89 1HD2 LEU 89 12.230 -4.910 -0.044 609 HD22 LEU 89 2HD2 LEU 89 11.540 -3.690 -1.141 610 HD23 LEU 89 3HD2 LEU 89 12.369 -3.180 0.350 611 H LEU 90 H LEU 90 8.399 -0.660 2.822 612 HA LEU 90 HA LEU 90 8.639 1.772 1.502 613 HB2 LEU 90 1HB LEU 90 6.957 0.589 3.607 614 HB3 LEU 90 2HB LEU 90 7.080 2.336 3.670 615 HG LEU 90 HG LEU 90 6.028 0.627 1.411 616 HD11 LEU 90 1HD1 LEU 90 4.723 1.587 3.572 617 HD12 LEU 90 2HD1 LEU 90 4.527 2.957 2.452 618 HD13 LEU 90 3HD1 LEU 90 3.965 1.335 1.981 619 HD21 LEU 90 1HD2 LEU 90 5.616 2.957 0.327 620 HD22 LEU 90 2HD2 LEU 90 6.970 3.479 1.356 621 HD23 LEU 90 3HD2 LEU 90 7.208 2.178 0.165 622 H ARG 91 H ARG 91 9.807 0.659 4.706 623 HA ARG 91 HA ARG 91 10.438 3.066 5.778 624 HB2 ARG 91 1HB ARG 91 10.942 0.344 6.355 625 HB3 ARG 91 2HB ARG 91 12.541 1.058 6.271 626 HG2 ARG 91 1HG ARG 91 11.287 2.980 7.746 627 HG3 ARG 91 2HG ARG 91 10.316 1.597 8.210 628 HD2 ARG 91 1HD ARG 91 12.007 0.674 9.450 629 HD3 ARG 91 2HD ARG 91 13.208 0.985 8.213 630 HE ARG 91 HE ARG 91 13.728 3.044 9.236 631 HH11 ARG 91 2HH2 ARG 91 10.786 1.713 10.635 632 HH12 ARG 91 1HH2 ARG 91 10.736 2.855 11.936 633 HH21 ARG 91 2HH1 ARG 91 13.662 4.552 10.952 634 HH22 ARG 91 1HH1 ARG 91 12.382 4.481 12.117 635 H ASP 92 H ASP 92 12.804 0.844 4.108 636 HA ASP 92 HA ASP 92 14.810 2.699 3.942 637 HB2 ASP 92 1HB ASP 92 14.798 0.138 3.454 638 HB3 ASP 92 2HB ASP 92 14.282 0.564 1.834 639 H ALA 93 H ALA 93 12.064 1.898 1.741 640 HA ALA 93 HA ALA 93 12.815 3.291 -0.504 641 HB1 ALA 93 1HB ALA 93 10.851 1.752 -0.226 642 HB2 ALA 93 2HB ALA 93 10.013 3.048 0.661 643 HB3 ALA 93 3HB ALA 93 10.447 3.277 -1.050 644 H ALA 94 H ALA 94 11.294 4.452 2.548 645 HA ALA 94 HA ALA 94 10.804 7.062 1.645 646 HB1 ALA 94 1HB ALA 94 9.642 6.351 3.569 647 HB2 ALA 94 2HB ALA 94 11.119 5.731 4.345 648 HB3 ALA 94 3HB ALA 94 10.856 7.486 4.207 649 H LEU 95 H LEU 95 13.635 5.456 3.183 650 HA LEU 95 HA LEU 95 15.108 7.762 3.673 651 HB2 LEU 95 1HB LEU 95 15.957 4.924 3.093 652 HB3 LEU 95 2HB LEU 95 17.058 6.185 3.610 653 HG LEU 95 HG LEU 95 14.761 4.985 5.168 654 HD11 LEU 95 1HD1 LEU 95 16.726 4.640 6.818 655 HD12 LEU 95 2HD1 LEU 95 16.588 3.571 5.402 656 HD13 LEU 95 3HD1 LEU 95 17.760 4.910 5.395 657 HD21 LEU 95 1HD2 LEU 95 16.337 7.499 5.708 658 HD22 LEU 95 2HD2 LEU 95 14.575 7.252 5.725 659 HD23 LEU 95 3HD2 LEU 95 15.583 6.557 7.017 660 H ALA 96 H ALA 96 14.117 6.307 0.700 661 HA ALA 96 HA ALA 96 16.343 7.462 -0.775 662 HB1 ALA 96 1HB ALA 96 15.924 5.542 -1.897 663 HB2 ALA 96 2HB ALA 96 14.302 5.374 -1.183 664 HB3 ALA 96 3HB ALA 96 14.546 6.418 -2.604 665 H HIS 97 H HIS 97 13.202 8.285 0.406 666 HA HIS 97 HA HIS 97 11.970 10.087 0.166 667 HB2 HIS 97 1HB HIS 97 14.226 11.155 -1.553 668 HB3 HIS 97 2HB HIS 97 12.876 12.100 -0.956 669 HD1 HIS 97 1HD HIS 97 14.329 13.660 0.494 670 HD2 HIS 97 2HD HIS 97 14.742 9.598 1.455 671 HE1 HIS 97 1HE HIS 97 15.622 13.574 2.692 672 H LYS 98 H LYS 98 12.459 7.788 -2.035 673 HA LYS 98 HA LYS 98 10.263 8.702 -3.653 674 HB2 LYS 98 1HB LYS 98 12.135 9.709 -4.851 675 HB3 LYS 98 2HB LYS 98 12.974 8.171 -4.905 676 HG2 LYS 98 1HG LYS 98 10.167 8.212 -5.978 677 HG3 LYS 98 2HG LYS 98 11.381 9.051 -6.924 678 HD2 LYS 98 1HD LYS 98 12.632 6.623 -6.219 679 HD3 LYS 98 2HD LYS 98 10.976 6.159 -6.556 680 HE2 LYS 98 1HE LYS 98 11.891 6.052 -8.705 681 HE3 LYS 98 2HE LYS 98 11.270 7.691 -8.708 682 HZ1 LYS 98 1HZ LYS 98 13.336 8.261 -9.183 683 HZ2 LYS 98 2HZ LYS 98 13.734 7.932 -7.633 684 HZ3 LYS 98 3HZ LYS 98 13.957 6.802 -8.791 685 H VAL 99 H VAL 99 9.049 6.975 -4.449 686 HA VAL 99 HA VAL 99 10.194 4.332 -4.391 687 HB VAL 99 HB VAL 99 9.496 4.848 -2.032 688 HG11 VAL 99 1HG1 VAL 99 7.570 6.106 -2.054 689 HG12 VAL 99 2HG1 VAL 99 6.862 5.206 -3.416 690 HG13 VAL 99 3HG1 VAL 99 6.884 4.486 -1.789 691 HG21 VAL 99 1HG2 VAL 99 8.423 2.681 -1.679 692 HG22 VAL 99 2HG2 VAL 99 8.011 2.584 -3.408 693 HG23 VAL 99 3HG2 VAL 99 9.715 2.547 -2.895 694 H VAL 100 H VAL 100 8.983 2.850 -5.668 695 HA VAL 100 HA VAL 100 6.905 4.185 -7.252 696 HB VAL 100 HB VAL 100 8.981 2.101 -7.836 697 HG11 VAL 100 1HG1 VAL 100 6.241 2.154 -8.884 698 HG12 VAL 100 2HG1 VAL 100 7.483 2.229 -10.157 699 HG13 VAL 100 3HG1 VAL 100 7.486 0.886 -8.989 700 HG21 VAL 100 1HG2 VAL 100 8.461 3.960 -9.960 701 HG22 VAL 100 2HG2 VAL 100 8.616 4.858 -8.430 702 HG23 VAL 100 3HG2 VAL 100 9.925 3.775 -8.964 703 H LEU 101 H LEU 101 4.855 3.625 -6.757 704 HA LEU 101 HA LEU 101 4.464 1.005 -5.506 705 HB2 LEU 101 1HB LEU 101 2.911 3.584 -5.406 706 HB3 LEU 101 2HB LEU 101 2.226 2.059 -4.878 707 HG LEU 101 HG LEU 101 3.363 3.715 -3.179 708 HD11 LEU 101 1HD1 LEU 101 3.477 0.710 -3.222 709 HD12 LEU 101 2HD1 LEU 101 4.119 1.629 -1.840 710 HD13 LEU 101 3HD1 LEU 101 2.407 1.793 -2.300 711 HD21 LEU 101 1HD2 LEU 101 5.750 2.132 -4.171 712 HD22 LEU 101 2HD2 LEU 101 5.503 3.888 -4.325 713 HD23 LEU 101 3HD2 LEU 101 5.709 3.156 -2.715 714 H GLU 102 H GLU 102 3.300 -0.573 -6.520 715 HA GLU 102 HA GLU 102 2.152 0.220 -9.081 716 HB2 GLU 102 1HB GLU 102 4.032 -1.347 -9.310 717 HB3 GLU 102 2HB GLU 102 3.292 -2.460 -8.177 718 HG2 GLU 102 1HG GLU 102 1.822 -3.285 -9.736 719 HG3 GLU 102 2HG GLU 102 1.508 -1.705 -10.428 720 H VAL 103 H VAL 103 -0.044 0.397 -8.979 721 HA VAL 103 HA VAL 103 -1.445 -1.265 -7.031 722 HB VAL 103 HB VAL 103 -2.839 0.792 -8.654 723 HG11 VAL 103 1HG1 VAL 103 -2.914 -0.272 -5.841 724 HG12 VAL 103 2HG1 VAL 103 -3.632 1.314 -6.213 725 HG13 VAL 103 3HG1 VAL 103 -4.220 -0.146 -7.044 726 HG21 VAL 103 1HG2 VAL 103 -0.978 2.147 -8.333 727 HG22 VAL 103 2HG2 VAL 103 -1.966 2.517 -6.899 728 HG23 VAL 103 3HG2 VAL 103 -0.579 1.409 -6.763 729 H GLU 104 H GLU 104 -3.546 -2.274 -7.742 730 HA GLU 104 HA GLU 104 -3.462 -2.950 -10.569 731 HB2 GLU 104 1HB GLU 104 -2.503 -4.715 -8.768 732 HB3 GLU 104 2HB GLU 104 -4.203 -5.113 -8.618 733 HG2 GLU 104 1HG GLU 104 -4.186 -5.188 -11.251 734 HG3 GLU 104 2HG GLU 104 -2.444 -5.282 -11.088 735 H PHE 105 H PHE 105 -5.385 -2.339 -11.454 736 HA PHE 105 HA PHE 105 -7.819 -3.079 -10.118 737 HB2 PHE 105 1HB PHE 105 -8.606 -0.617 -10.322 738 HB3 PHE 105 2HB PHE 105 -7.424 -0.910 -9.062 739 HD1 PHE 105 1HD PHE 105 -7.465 -0.046 -12.701 740 HD2 PHE 105 2HD PHE 105 -5.691 0.592 -8.899 741 HE1 PHE 105 1HE PHE 105 -5.973 1.713 -13.692 742 HE2 PHE 105 2HE PHE 105 -4.199 2.351 -9.890 743 HZ PHE 105 HZ PHE 105 -4.358 2.890 -12.274 744 H ASP 106 H ASP 106 -9.768 -2.126 -11.543 745 HA ASP 106 HA ASP 106 -8.954 -2.668 -14.279 746 HB2 ASP 106 1HB ASP 106 -11.674 -2.813 -12.898 747 HB3 ASP 106 2HB ASP 106 -11.443 -3.096 -14.612 748 H SER 107 H SER 107 -8.354 -0.494 -14.904 749 HA SER 107 HA SER 107 -9.503 1.809 -14.201 750 HB2 SER 107 1HB SER 107 -7.526 1.744 -15.607 751 HB3 SER 107 2HB SER 107 -8.402 0.969 -16.912 752 HG SER 107 HG SER 107 -8.019 3.377 -17.067 753 H GLY 108 H GLY 108 -11.759 1.903 -13.947 754 HA2 GLY 108 1HA GLY 108 -13.425 2.732 -15.865 755 HA3 GLY 108 2HA GLY 108 -13.489 0.996 -16.098 756 HA PRO 109 HA PRO 109 -16.296 2.231 -12.649 757 HB2 PRO 109 1HB PRO 109 -18.724 1.991 -13.880 758 HB3 PRO 109 2HB PRO 109 -17.895 3.523 -13.685 759 HG2 PRO 109 1HG PRO 109 -18.192 1.874 -16.120 760 HG3 PRO 109 2HG PRO 109 -17.756 3.566 -15.987 761 HD2 PRO 109 1HD PRO 109 -15.985 1.374 -16.519 762 HD3 PRO 109 2HD PRO 109 -15.534 3.049 -16.270 763 H SER 110 H SER 110 -17.949 0.925 -11.461 764 HA SER 110 HA SER 110 -18.422 -1.651 -12.433 765 HB2 SER 110 1HB SER 110 -17.057 -2.884 -10.678 766 HB3 SER 110 2HB SER 110 -16.122 -2.165 -11.974 767 HG SER 110 HG SER 110 -16.296 -1.416 -9.231 768 H SER 111 H SER 111 -20.223 -2.434 -11.341 769 HA SER 111 HA SER 111 -21.934 -2.398 -9.999 770 HB2 SER 111 1HB SER 111 -19.855 -3.233 -8.519 771 HB3 SER 111 2HB SER 111 -20.215 -1.783 -7.603 772 HG SER 111 HG SER 111 -22.530 -3.191 -8.190 773 H GLY 112 H GLY 112 -22.887 -0.426 -10.826 774 HA2 GLY 112 1HA GLY 112 -22.227 2.073 -9.475 775 HA3 GLY 112 2HA GLY 112 -23.268 1.851 -10.867 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.210 -37.533 -43.626 2 HA2 GLY 1 1HA GLY 1 3.212 -35.409 -43.159 3 HA3 GLY 1 2HA GLY 1 1.834 -35.292 -44.235 4 H SER 2 H SER 2 2.083 -33.278 -42.420 5 HA SER 2 HA SER 2 -0.323 -33.440 -41.049 6 HB2 SER 2 1HB SER 2 0.347 -33.505 -38.741 7 HB3 SER 2 2HB SER 2 1.105 -34.879 -39.520 8 HG SER 2 HG SER 2 3.034 -34.089 -39.040 9 H SER 3 H SER 3 -0.987 -31.328 -40.395 10 HA SER 3 HA SER 3 0.865 -29.278 -39.972 11 HB2 SER 3 1HB SER 3 0.296 -27.886 -41.991 12 HB3 SER 3 2HB SER 3 1.238 -29.315 -42.366 13 HG SER 3 HG SER 3 -1.499 -28.743 -42.938 14 H GLY 4 H GLY 4 -0.224 -27.307 -39.267 15 HA2 GLY 4 1HA GLY 4 -3.070 -27.055 -39.485 16 HA3 GLY 4 2HA GLY 4 -2.574 -27.620 -37.903 17 H SER 5 H SER 5 -3.813 -25.220 -37.892 18 HA SER 5 HA SER 5 -1.771 -23.536 -36.923 19 HB2 SER 5 1HB SER 5 -2.297 -21.586 -38.433 20 HB3 SER 5 2HB SER 5 -1.466 -22.903 -39.238 21 HG SER 5 HG SER 5 -4.339 -22.792 -39.254 22 H SER 6 H SER 6 -2.646 -22.153 -35.352 23 HA SER 6 HA SER 6 -5.334 -21.327 -35.496 24 HB2 SER 6 1HB SER 6 -5.449 -23.788 -34.687 25 HB3 SER 6 2HB SER 6 -4.716 -23.222 -33.200 26 HG SER 6 HG SER 6 -6.991 -21.799 -34.165 27 H GLY 7 H GLY 7 -5.490 -19.401 -34.356 28 HA2 GLY 7 1HA GLY 7 -3.280 -18.809 -32.482 29 HA3 GLY 7 2HA GLY 7 -4.076 -17.635 -33.511 30 H GLY 8 H GLY 8 -4.953 -16.244 -31.972 31 HA2 GLY 8 1HA GLY 8 -7.365 -16.422 -30.948 32 HA3 GLY 8 2HA GLY 8 -6.503 -17.394 -29.773 33 H GLY 9 H GLY 9 -7.857 -14.677 -29.558 34 HA2 GLY 9 1HA GLY 9 -5.686 -12.808 -29.151 35 HA3 GLY 9 2HA GLY 9 -7.397 -12.545 -28.879 36 H GLN 10 H GLN 10 -7.401 -11.757 -26.774 37 HA GLN 10 HA GLN 10 -7.021 -13.687 -24.750 38 HB2 GLN 10 1HB GLN 10 -5.372 -12.041 -23.486 39 HB3 GLN 10 2HB GLN 10 -4.746 -13.227 -24.614 40 HG2 GLN 10 1HG GLN 10 -5.526 -10.764 -26.008 41 HG3 GLN 10 2HG GLN 10 -4.382 -10.422 -24.726 42 HE21 GLN 10 1HE2 GLN 10 -3.686 -10.008 -27.305 43 HE22 GLN 10 2HE2 GLN 10 -2.496 -11.150 -27.835 44 H ILE 11 H ILE 11 -8.416 -13.227 -23.060 45 HA ILE 11 HA ILE 11 -10.132 -11.000 -23.359 46 HB ILE 11 HB ILE 11 -10.753 -13.245 -22.488 47 HG12 ILE 11 1HG1 ILE 11 -11.465 -11.165 -20.434 48 HG13 ILE 11 2HG1 ILE 11 -11.976 -10.967 -22.098 49 HG21 ILE 11 1HG2 ILE 11 -9.222 -14.027 -21.002 50 HG22 ILE 11 2HG2 ILE 11 -8.888 -12.417 -20.319 51 HG23 ILE 11 3HG2 ILE 11 -10.364 -13.294 -19.849 52 HD11 ILE 11 1HD1 ILE 11 -13.282 -12.957 -22.073 53 HD12 ILE 11 2HD1 ILE 11 -12.454 -13.581 -20.626 54 HD13 ILE 11 3HD1 ILE 11 -13.586 -12.215 -20.484 55 H VAL 12 H VAL 12 -10.443 -9.204 -21.893 56 HA VAL 12 HA VAL 12 -8.170 -7.814 -21.307 57 HB VAL 12 HB VAL 12 -9.621 -6.413 -19.902 58 HG11 VAL 12 1HG1 VAL 12 -10.918 -7.359 -22.481 59 HG12 VAL 12 2HG1 VAL 12 -11.259 -5.824 -21.648 60 HG13 VAL 12 3HG1 VAL 12 -9.644 -6.126 -22.331 61 HG21 VAL 12 1HG2 VAL 12 -12.143 -7.722 -20.373 62 HG22 VAL 12 2HG2 VAL 12 -11.051 -8.826 -19.502 63 HG23 VAL 12 3HG2 VAL 12 -11.406 -7.215 -18.834 64 H HIS 13 H HIS 13 -7.529 -7.030 -18.987 65 HA HIS 13 HA HIS 13 -7.844 -8.981 -16.934 66 HB2 HIS 13 1HB HIS 13 -5.313 -9.340 -16.759 67 HB3 HIS 13 2HB HIS 13 -6.197 -10.257 -17.963 68 HD1 HIS 13 1HD HIS 13 -3.508 -7.708 -17.576 69 HD2 HIS 13 2HD HIS 13 -5.751 -9.412 -20.685 70 HE1 HIS 13 1HE HIS 13 -2.307 -7.096 -19.742 71 H THR 14 H THR 14 -6.777 -8.249 -14.888 72 HA THR 14 HA THR 14 -7.275 -5.640 -14.311 73 HB THR 14 HB THR 14 -5.103 -6.474 -12.659 74 HG1 THR 14 1HG THR 14 -5.800 -8.762 -12.436 75 HG21 THR 14 1HG2 THR 14 -6.763 -6.228 -11.110 76 HG22 THR 14 2HG2 THR 14 -7.934 -6.024 -12.435 77 HG23 THR 14 3HG2 THR 14 -7.610 -7.646 -11.776 78 H GLU 15 H GLU 15 -5.970 -3.752 -13.905 79 HA GLU 15 HA GLU 15 -3.817 -3.628 -15.856 80 HB2 GLU 15 1HB GLU 15 -5.553 -1.451 -14.618 81 HB3 GLU 15 2HB GLU 15 -4.184 -1.113 -15.658 82 HG2 GLU 15 1HG GLU 15 -6.756 -2.572 -16.374 83 HG3 GLU 15 2HG GLU 15 -6.119 -1.104 -17.087 84 H THR 16 H THR 16 -2.389 -1.406 -14.994 85 HA THR 16 HA THR 16 -1.734 -1.782 -12.194 86 HB THR 16 HB THR 16 0.753 -2.107 -13.005 87 HG1 THR 16 1HG THR 16 -0.986 -2.880 -15.239 88 HG21 THR 16 1HG2 THR 16 0.508 -4.543 -13.148 89 HG22 THR 16 2HG2 THR 16 -0.648 -3.951 -11.930 90 HG23 THR 16 3HG2 THR 16 -1.217 -4.384 -13.561 91 H THR 17 H THR 17 -0.750 0.000 -11.254 92 HA THR 17 HA THR 17 -0.137 2.218 -13.075 93 HB THR 17 HB THR 17 -2.553 2.085 -11.813 94 HG1 THR 17 1HG THR 17 -0.651 4.294 -12.146 95 HG21 THR 17 1HG2 THR 17 -0.630 3.526 -9.911 96 HG22 THR 17 2HG2 THR 17 -2.403 3.669 -9.859 97 HG23 THR 17 3HG2 THR 17 -1.625 2.106 -9.510 98 H GLU 18 H GLU 18 1.731 3.238 -12.639 99 HA GLU 18 HA GLU 18 3.096 2.329 -10.257 100 HB2 GLU 18 1HB GLU 18 4.181 2.205 -12.545 101 HB3 GLU 18 2HB GLU 18 4.185 3.956 -12.594 102 HG2 GLU 18 1HG GLU 18 5.578 4.035 -10.537 103 HG3 GLU 18 2HG GLU 18 5.531 2.288 -10.417 104 H VAL 19 H VAL 19 3.009 3.567 -8.438 105 HA VAL 19 HA VAL 19 2.529 6.437 -8.811 106 HB VAL 19 HB VAL 19 1.843 4.465 -6.647 107 HG11 VAL 19 1HG1 VAL 19 0.979 6.516 -5.373 108 HG12 VAL 19 2HG1 VAL 19 2.734 6.218 -5.343 109 HG13 VAL 19 3HG1 VAL 19 2.062 7.472 -6.412 110 HG21 VAL 19 1HG2 VAL 19 0.085 6.575 -7.911 111 HG22 VAL 19 2HG2 VAL 19 0.333 4.979 -8.658 112 HG23 VAL 19 3HG2 VAL 19 -0.393 5.100 -7.037 113 H VAL 20 H VAL 20 4.015 7.921 -8.086 114 HA VAL 20 HA VAL 20 6.384 6.775 -6.777 115 HB VAL 20 HB VAL 20 6.073 9.089 -8.694 116 HG11 VAL 20 1HG1 VAL 20 8.074 9.930 -8.115 117 HG12 VAL 20 2HG1 VAL 20 7.867 9.016 -6.601 118 HG13 VAL 20 3HG1 VAL 20 8.806 8.317 -7.941 119 HG21 VAL 20 1HG2 VAL 20 6.683 6.289 -9.022 120 HG22 VAL 20 2HG2 VAL 20 6.487 7.555 -10.258 121 HG23 VAL 20 3HG2 VAL 20 8.081 7.275 -9.515 122 H LEU 21 H LEU 21 5.886 7.053 -4.610 123 HA LEU 21 HA LEU 21 4.770 9.585 -3.771 124 HB2 LEU 21 1HB LEU 21 5.092 6.880 -2.661 125 HB3 LEU 21 2HB LEU 21 5.313 8.172 -1.498 126 HG LEU 21 HG LEU 21 3.121 8.872 -1.622 127 HD11 LEU 21 1HD1 LEU 21 2.589 9.445 -3.750 128 HD12 LEU 21 2HD1 LEU 21 3.265 7.953 -4.446 129 HD13 LEU 21 3HD1 LEU 21 1.668 7.924 -3.660 130 HD21 LEU 21 1HD2 LEU 21 2.093 6.279 -2.367 131 HD22 LEU 21 2HD2 LEU 21 3.555 6.110 -1.367 132 HD23 LEU 21 3HD2 LEU 21 2.173 7.057 -0.768 133 H CYS 22 H CYS 22 5.839 11.171 -2.573 134 HA CYS 22 HA CYS 22 8.701 10.695 -2.194 135 HB2 CYS 22 1HB CYS 22 8.765 13.320 -2.689 136 HB3 CYS 22 2HB CYS 22 8.956 12.118 -3.950 137 HG CYS 22 HG CYS 22 7.282 14.312 -4.405 138 H GLY 23 H GLY 23 9.298 11.069 -0.077 139 HA2 GLY 23 1HA GLY 23 8.108 13.161 1.479 140 HA3 GLY 23 2HA GLY 23 7.543 11.573 1.958 141 H ASP 24 H ASP 24 8.987 13.067 3.794 142 HA ASP 24 HA ASP 24 11.742 12.444 3.604 143 HB2 ASP 24 1HB ASP 24 9.907 13.815 5.519 144 HB3 ASP 24 2HB ASP 24 11.308 13.068 6.260 145 HA PRO 25 HA PRO 25 11.601 8.643 5.787 146 HB2 PRO 25 1HB PRO 25 13.916 8.636 7.239 147 HB3 PRO 25 2HB PRO 25 13.858 8.271 5.526 148 HG2 PRO 25 1HG PRO 25 14.803 10.731 6.866 149 HG3 PRO 25 2HG PRO 25 15.121 10.179 5.234 150 HD2 PRO 25 1HD PRO 25 13.285 12.238 6.022 151 HD3 PRO 25 2HD PRO 25 13.520 11.605 4.405 152 H LEU 26 H LEU 26 11.587 11.533 7.544 153 HA LEU 26 HA LEU 26 11.225 10.272 10.085 154 HB2 LEU 26 1HB LEU 26 11.348 13.016 8.995 155 HB3 LEU 26 2HB LEU 26 10.351 12.812 10.422 156 HG LEU 26 HG LEU 26 12.864 13.457 10.656 157 HD11 LEU 26 1HD1 LEU 26 12.861 12.690 12.851 158 HD12 LEU 26 2HD1 LEU 26 11.131 12.758 12.439 159 HD13 LEU 26 3HD1 LEU 26 11.986 11.197 12.438 160 HD21 LEU 26 1HD2 LEU 26 14.481 11.794 10.624 161 HD22 LEU 26 2HD2 LEU 26 13.283 10.479 10.695 162 HD23 LEU 26 3HD2 LEU 26 13.493 11.412 9.194 163 H SER 27 H SER 27 9.076 12.100 7.793 164 HA SER 27 HA SER 27 6.794 11.305 9.283 165 HB2 SER 27 1HB SER 27 5.602 12.356 7.219 166 HB3 SER 27 2HB SER 27 6.548 13.407 8.254 167 HG SER 27 HG SER 27 7.224 13.914 6.195 168 H GLY 28 H GLY 28 8.620 10.172 6.457 169 HA2 GLY 28 1HA GLY 28 8.524 7.987 5.674 170 HA3 GLY 28 2HA GLY 28 6.918 7.794 6.349 171 H PHE 29 H PHE 29 5.322 7.644 4.844 172 HA PHE 29 HA PHE 29 5.497 9.414 2.530 173 HB2 PHE 29 1HB PHE 29 5.213 6.372 2.689 174 HB3 PHE 29 2HB PHE 29 4.541 7.228 1.316 175 HD1 PHE 29 1HD PHE 29 6.571 9.273 0.779 176 HD2 PHE 29 2HD PHE 29 7.043 5.203 1.882 177 HE1 PHE 29 1HE PHE 29 8.813 9.228 -0.348 178 HE2 PHE 29 2HE PHE 29 9.286 5.157 0.755 179 HZ PHE 29 HZ PHE 29 10.144 7.170 -0.347 180 H GLY 30 H GLY 30 3.885 8.914 5.214 181 HA2 GLY 30 1HA GLY 30 1.741 8.997 5.907 182 HA3 GLY 30 2HA GLY 30 1.509 10.045 4.522 183 H LEU 31 H LEU 31 2.062 6.479 5.027 184 HA LEU 31 HA LEU 31 -0.491 5.949 3.778 185 HB2 LEU 31 1HB LEU 31 0.206 4.969 1.875 186 HB3 LEU 31 2HB LEU 31 1.459 6.184 2.032 187 HG LEU 31 HG LEU 31 2.635 4.143 3.374 188 HD11 LEU 31 1HD1 LEU 31 1.531 2.572 1.114 189 HD12 LEU 31 2HD1 LEU 31 2.037 2.058 2.742 190 HD13 LEU 31 3HD1 LEU 31 0.451 2.831 2.505 191 HD21 LEU 31 1HD2 LEU 31 3.818 5.322 1.721 192 HD22 LEU 31 2HD2 LEU 31 3.784 3.635 1.154 193 HD23 LEU 31 3HD2 LEU 31 2.684 4.838 0.437 194 H GLN 32 H GLN 32 -1.328 3.891 4.344 195 HA GLN 32 HA GLN 32 0.376 2.438 6.212 196 HB2 GLN 32 1HB GLN 32 -2.335 3.587 6.598 197 HB3 GLN 32 2HB GLN 32 -2.189 1.919 7.115 198 HG2 GLN 32 1HG GLN 32 -0.064 3.926 7.923 199 HG3 GLN 32 2HG GLN 32 -1.585 3.880 8.793 200 HE21 GLN 32 1HE2 GLN 32 -0.657 3.178 10.679 201 HE22 GLN 32 2HE2 GLN 32 -0.059 1.570 10.921 202 H LEU 33 H LEU 33 0.620 0.288 5.728 203 HA LEU 33 HA LEU 33 -0.996 -0.740 3.542 204 HB2 LEU 33 1HB LEU 33 1.606 -1.502 4.821 205 HB3 LEU 33 2HB LEU 33 0.724 -2.674 3.861 206 HG LEU 33 HG LEU 33 1.649 0.038 2.871 207 HD11 LEU 33 1HD1 LEU 33 2.836 -2.723 2.521 208 HD12 LEU 33 2HD1 LEU 33 3.264 -1.322 1.510 209 HD13 LEU 33 3HD1 LEU 33 3.589 -1.290 3.260 210 HD21 LEU 33 1HD2 LEU 33 -0.301 -0.605 1.658 211 HD22 LEU 33 2HD2 LEU 33 1.108 -0.933 0.621 212 HD23 LEU 33 3HD2 LEU 33 0.292 -2.272 1.464 213 H GLN 34 H GLN 34 -1.981 -2.905 3.682 214 HA GLN 34 HA GLN 34 -2.439 -3.791 6.394 215 HB2 GLN 34 1HB GLN 34 -4.392 -2.544 6.317 216 HB3 GLN 34 2HB GLN 34 -4.508 -2.619 4.570 217 HG2 GLN 34 1HG GLN 34 -5.596 -4.679 4.580 218 HG3 GLN 34 2HG GLN 34 -4.800 -5.220 6.045 219 HE21 GLN 34 1HE2 GLN 34 -7.534 -3.735 4.662 220 HE22 GLN 34 2HE2 GLN 34 -8.430 -3.386 6.103 221 H GLY 35 H GLY 35 -1.823 -5.907 6.348 222 HA2 GLY 35 1HA GLY 35 -2.648 -7.505 4.000 223 HA3 GLY 35 2HA GLY 35 -1.050 -7.628 4.706 224 H GLY 36 H GLY 36 -1.373 -9.885 5.211 225 HA2 GLY 36 1HA GLY 36 -3.522 -10.960 6.589 226 HA3 GLY 36 2HA GLY 36 -1.884 -11.584 6.590 227 H ILE 37 H ILE 37 -2.728 -12.171 8.894 228 HA ILE 37 HA ILE 37 -2.568 -9.898 10.705 229 HB ILE 37 HB ILE 37 -3.327 -12.790 11.123 230 HG12 ILE 37 1HG1 ILE 37 -5.074 -10.318 11.214 231 HG13 ILE 37 2HG1 ILE 37 -4.894 -11.321 9.789 232 HG21 ILE 37 1HG2 ILE 37 -3.263 -12.518 13.330 233 HG22 ILE 37 2HG2 ILE 37 -2.311 -11.044 13.033 234 HG23 ILE 37 3HG2 ILE 37 -4.076 -10.937 13.238 235 HD11 ILE 37 1HD1 ILE 37 -6.364 -12.839 10.601 236 HD12 ILE 37 2HD1 ILE 37 -5.423 -13.008 12.103 237 HD13 ILE 37 3HD1 ILE 37 -6.664 -11.739 11.968 238 H PHE 38 H PHE 38 -0.781 -12.766 9.601 239 HA PHE 38 HA PHE 38 1.253 -12.215 11.632 240 HB2 PHE 38 1HB PHE 38 0.580 -14.539 9.739 241 HB3 PHE 38 2HB PHE 38 2.075 -14.511 10.653 242 HD1 PHE 38 2HD PHE 38 -1.580 -14.041 11.296 243 HD2 PHE 38 1HD PHE 38 2.094 -15.702 12.618 244 HE1 PHE 38 2HE PHE 38 -2.757 -15.086 13.251 245 HE2 PHE 38 1HE PHE 38 0.918 -16.748 14.574 246 HZ PHE 38 HZ PHE 38 -1.494 -16.427 14.867 247 H ALA 39 H ALA 39 3.162 -11.266 11.070 248 HA ALA 39 HA ALA 39 3.547 -10.618 8.280 249 HB1 ALA 39 1HB ALA 39 3.844 -8.897 10.003 250 HB2 ALA 39 2HB ALA 39 5.082 -9.890 10.808 251 HB3 ALA 39 3HB ALA 39 5.392 -9.222 9.187 252 H THR 40 H THR 40 5.427 -12.230 10.944 253 HA THR 40 HA THR 40 7.623 -13.034 9.636 254 HB THR 40 HB THR 40 7.352 -13.594 11.951 255 HG1 THR 40 1HG THR 40 7.382 -16.074 11.713 256 HG21 THR 40 1HG2 THR 40 5.308 -15.707 11.659 257 HG22 THR 40 2HG2 THR 40 5.423 -14.418 12.881 258 HG23 THR 40 3HG2 THR 40 4.657 -14.087 11.308 259 H GLU 41 H GLU 41 4.326 -14.195 9.038 260 HA GLU 41 HA GLU 41 5.347 -16.297 7.365 261 HB2 GLU 41 1HB GLU 41 2.463 -15.420 7.824 262 HB3 GLU 41 2HB GLU 41 2.983 -16.916 7.075 263 HG2 GLU 41 1HG GLU 41 4.315 -16.666 9.636 264 HG3 GLU 41 2HG GLU 41 2.603 -16.373 9.873 265 H THR 42 H THR 42 5.174 -16.371 5.077 266 HA THR 42 HA THR 42 5.536 -14.031 3.693 267 HB THR 42 HB THR 42 4.461 -16.763 2.820 268 HG1 THR 42 1HG THR 42 7.045 -15.367 2.812 269 HG21 THR 42 1HG2 THR 42 5.616 -14.420 1.226 270 HG22 THR 42 2HG2 THR 42 5.571 -16.089 0.610 271 HG23 THR 42 3HG2 THR 42 4.053 -15.229 0.962 272 H LEU 43 H LEU 43 4.091 -13.280 1.776 273 HA LEU 43 HA LEU 43 1.429 -12.832 2.927 274 HB2 LEU 43 1HB LEU 43 3.316 -11.120 1.364 275 HB3 LEU 43 2HB LEU 43 1.593 -10.847 1.205 276 HG LEU 43 HG LEU 43 3.224 -10.696 3.753 277 HD11 LEU 43 1HD1 LEU 43 3.657 -8.684 2.791 278 HD12 LEU 43 2HD1 LEU 43 2.164 -8.693 1.821 279 HD13 LEU 43 3HD1 LEU 43 2.098 -8.287 3.553 280 HD21 LEU 43 1HD2 LEU 43 1.027 -9.818 4.721 281 HD22 LEU 43 2HD2 LEU 43 0.241 -10.581 3.318 282 HD23 LEU 43 3HD2 LEU 43 1.169 -11.574 4.467 283 H SER 44 H SER 44 -0.066 -14.150 2.034 284 HA SER 44 HA SER 44 0.399 -15.310 -0.496 285 HB2 SER 44 1HB SER 44 -1.502 -15.589 1.716 286 HB3 SER 44 2HB SER 44 -2.324 -15.678 0.171 287 HG SER 44 HG SER 44 0.084 -17.149 0.332 288 H SER 45 H SER 45 -1.159 -12.399 0.709 289 HA SER 45 HA SER 45 -2.013 -11.853 -2.015 290 HB2 SER 45 1HB SER 45 -4.122 -10.965 -1.318 291 HB3 SER 45 2HB SER 45 -3.971 -12.515 -0.515 292 HG SER 45 HG SER 45 -4.303 -11.440 1.300 293 HA PRO 46 HA PRO 46 -0.113 -8.013 -1.260 294 HB2 PRO 46 1HB PRO 46 -1.475 -6.309 -2.905 295 HB3 PRO 46 2HB PRO 46 -0.231 -7.402 -3.477 296 HG2 PRO 46 1HG PRO 46 -3.164 -7.617 -3.771 297 HG3 PRO 46 2HG PRO 46 -1.907 -8.439 -4.673 298 HD2 PRO 46 1HD PRO 46 -3.530 -9.553 -2.587 299 HD3 PRO 46 2HD PRO 46 -2.197 -10.338 -3.409 300 HA PRO 47 HA PRO 47 -2.197 -5.949 1.816 301 HB2 PRO 47 1HB PRO 47 -0.395 -3.978 2.397 302 HB3 PRO 47 2HB PRO 47 -0.270 -5.607 3.030 303 HG2 PRO 47 1HG PRO 47 1.307 -4.328 0.882 304 HG3 PRO 47 2HG PRO 47 1.679 -5.768 1.808 305 HD2 PRO 47 1HD PRO 47 0.705 -5.666 -0.888 306 HD3 PRO 47 2HD PRO 47 0.967 -7.105 0.078 307 H LEU 48 H LEU 48 -3.743 -4.401 2.119 308 HA LEU 48 HA LEU 48 -3.972 -2.637 -0.192 309 HB2 LEU 48 1HB LEU 48 -6.074 -2.935 1.911 310 HB3 LEU 48 2HB LEU 48 -6.240 -2.555 0.208 311 HG LEU 48 HG LEU 48 -5.111 -5.184 0.449 312 HD11 LEU 48 1HD1 LEU 48 -5.977 -5.528 2.588 313 HD12 LEU 48 2HD1 LEU 48 -7.467 -4.619 2.239 314 HD13 LEU 48 3HD1 LEU 48 -7.212 -6.222 1.510 315 HD21 LEU 48 1HD2 LEU 48 -6.652 -3.937 -1.317 316 HD22 LEU 48 2HD2 LEU 48 -6.652 -5.709 -1.147 317 HD23 LEU 48 3HD2 LEU 48 -7.940 -4.743 -0.389 318 H VAL 49 H VAL 49 -4.884 -0.366 0.329 319 HA VAL 49 HA VAL 49 -3.034 0.835 2.149 320 HB VAL 49 HB VAL 49 -5.168 1.821 0.270 321 HG11 VAL 49 1HG1 VAL 49 -5.394 3.703 1.451 322 HG12 VAL 49 2HG1 VAL 49 -4.136 3.198 2.605 323 HG13 VAL 49 3HG1 VAL 49 -3.682 4.052 1.110 324 HG21 VAL 49 1HG2 VAL 49 -3.217 1.212 -0.902 325 HG22 VAL 49 2HG2 VAL 49 -3.095 2.977 -0.710 326 HG23 VAL 49 3HG2 VAL 49 -2.147 1.900 0.343 327 H CYS 50 H CYS 50 -3.598 0.006 4.224 328 HA CYS 50 HA CYS 50 -6.076 -0.186 5.292 329 HB2 CYS 50 1HB CYS 50 -3.653 -0.687 6.252 330 HB3 CYS 50 2HB CYS 50 -3.870 0.866 7.033 331 HG CYS 50 HG CYS 50 -6.635 -0.454 7.242 332 H PHE 51 H PHE 51 -3.836 2.683 5.411 333 HA PHE 51 HA PHE 51 -6.129 4.428 5.300 334 HB2 PHE 51 1HB PHE 51 -5.982 4.164 7.703 335 HB3 PHE 51 2HB PHE 51 -4.235 4.040 7.664 336 HD1 PHE 51 1HD PHE 51 -7.078 6.341 7.626 337 HD2 PHE 51 2HD PHE 51 -2.846 6.029 7.581 338 HE1 PHE 51 1HE PHE 51 -6.892 8.781 8.186 339 HE2 PHE 51 2HE PHE 51 -2.660 8.469 8.141 340 HZ PHE 51 HZ PHE 51 -4.685 9.816 8.436 341 H ILE 52 H ILE 52 -5.316 6.826 5.311 342 HA ILE 52 HA ILE 52 -2.596 7.001 4.274 343 HB ILE 52 HB ILE 52 -5.110 7.535 2.766 344 HG12 ILE 52 1HG1 ILE 52 -2.384 6.665 1.785 345 HG13 ILE 52 2HG1 ILE 52 -3.556 5.538 2.438 346 HG21 ILE 52 1HG2 ILE 52 -2.768 9.357 2.871 347 HG22 ILE 52 2HG2 ILE 52 -3.399 8.950 1.257 348 HG23 ILE 52 3HG2 ILE 52 -4.471 9.686 2.472 349 HD11 ILE 52 1HD1 ILE 52 -5.213 6.207 0.733 350 HD12 ILE 52 2HD1 ILE 52 -4.086 7.431 0.100 351 HD13 ILE 52 3HD1 ILE 52 -3.696 5.700 -0.049 352 H GLU 53 H GLU 53 -1.574 8.956 4.752 353 HA GLU 53 HA GLU 53 -2.863 10.436 6.808 354 HB2 GLU 53 1HB GLU 53 -0.131 10.214 5.651 355 HB3 GLU 53 2HB GLU 53 -0.529 11.804 6.270 356 HG2 GLU 53 1HG GLU 53 -1.511 10.167 8.285 357 HG3 GLU 53 2HG GLU 53 -0.121 9.251 7.740 358 HA PRO 54 HA PRO 54 -4.350 13.635 4.272 359 HB2 PRO 54 1HB PRO 54 -4.811 15.571 6.145 360 HB3 PRO 54 2HB PRO 54 -5.917 14.246 5.844 361 HG2 PRO 54 1HG PRO 54 -4.053 14.627 8.106 362 HG3 PRO 54 2HG PRO 54 -5.441 13.563 7.995 363 HD2 PRO 54 1HD PRO 54 -2.680 12.811 7.785 364 HD3 PRO 54 2HD PRO 54 -4.071 11.768 7.559 365 H ASP 55 H ASP 55 -3.652 15.225 2.927 366 HA ASP 55 HA ASP 55 -2.315 16.746 2.143 367 HB2 ASP 55 1HB ASP 55 -2.299 17.305 4.936 368 HB3 ASP 55 2HB ASP 55 -0.618 17.366 4.445 369 H SER 56 H SER 56 -1.501 13.780 3.112 370 HA SER 56 HA SER 56 1.355 14.035 3.092 371 HB2 SER 56 1HB SER 56 1.357 11.955 4.027 372 HB3 SER 56 2HB SER 56 -0.349 12.258 4.293 373 HG SER 56 HG SER 56 -0.809 10.666 2.949 374 HA PRO 57 HA PRO 57 1.933 12.781 -1.052 375 HB2 PRO 57 1HB PRO 57 3.668 10.669 -1.054 376 HB3 PRO 57 2HB PRO 57 4.179 12.329 -0.818 377 HG2 PRO 57 1HG PRO 57 3.922 10.168 1.182 378 HG3 PRO 57 2HG PRO 57 4.813 11.672 1.299 379 HD2 PRO 57 1HD PRO 57 2.289 11.073 2.521 380 HD3 PRO 57 2HD PRO 57 3.124 12.614 2.542 381 H ALA 58 H ALA 58 1.200 9.951 0.882 382 HA ALA 58 HA ALA 58 0.351 8.356 -1.240 383 HB1 ALA 58 1HB ALA 58 0.785 7.974 1.387 384 HB2 ALA 58 2HB ALA 58 -0.986 8.146 1.429 385 HB3 ALA 58 3HB ALA 58 -0.239 6.882 0.423 386 H GLU 59 H GLU 59 -1.083 11.145 0.347 387 HA GLU 59 HA GLU 59 -3.685 10.481 -0.703 388 HB2 GLU 59 1HB GLU 59 -3.467 11.434 1.591 389 HB3 GLU 59 2HB GLU 59 -2.749 12.886 0.924 390 HG2 GLU 59 1HG GLU 59 -5.257 13.027 1.422 391 HG3 GLU 59 2HG GLU 59 -4.780 13.521 -0.190 392 H ARG 60 H ARG 60 -0.995 12.827 -1.144 393 HA ARG 60 HA ARG 60 -2.187 14.592 -2.797 394 HB2 ARG 60 1HB ARG 60 0.634 13.498 -2.615 395 HB3 ARG 60 2HB ARG 60 0.249 14.614 -3.910 396 HG2 ARG 60 1HG ARG 60 -0.895 15.876 -1.709 397 HG3 ARG 60 2HG ARG 60 0.519 15.125 -0.998 398 HD2 ARG 60 1HD ARG 60 2.023 16.292 -2.451 399 HD3 ARG 60 2HD ARG 60 0.755 16.697 -3.590 400 HE ARG 60 HE ARG 60 -0.032 17.895 -1.179 401 HH11 ARG 60 2HH2 ARG 60 2.755 18.097 -3.319 402 HH12 ARG 60 1HH2 ARG 60 3.105 19.745 -2.916 403 HH21 ARG 60 2HH1 ARG 60 0.430 20.069 -0.648 404 HH22 ARG 60 1HH1 ARG 60 1.774 20.874 -1.387 405 H CYS 61 H CYS 61 -1.318 11.228 -3.398 406 HA CYS 61 HA CYS 61 -1.108 11.311 -6.173 407 HB2 CYS 61 1HB CYS 61 -1.616 9.183 -4.133 408 HB3 CYS 61 2HB CYS 61 -1.981 8.808 -5.806 409 HG CYS 61 HG CYS 61 0.812 10.234 -4.746 410 H GLY 62 H GLY 62 -3.822 11.458 -3.908 411 HA2 GLY 62 1HA GLY 62 -6.007 11.890 -4.243 412 HA3 GLY 62 2HA GLY 62 -5.652 12.233 -5.924 413 H LEU 63 H LEU 63 -4.904 10.026 -7.174 414 HA LEU 63 HA LEU 63 -7.217 8.480 -7.317 415 HB2 LEU 63 1HB LEU 63 -6.276 8.014 -9.246 416 HB3 LEU 63 2HB LEU 63 -4.801 8.811 -8.736 417 HG LEU 63 HG LEU 63 -4.278 6.604 -9.523 418 HD11 LEU 63 1HD1 LEU 63 -3.480 7.613 -7.083 419 HD12 LEU 63 2HD1 LEU 63 -3.943 5.939 -6.695 420 HD13 LEU 63 3HD1 LEU 63 -2.728 6.257 -7.956 421 HD21 LEU 63 1HD2 LEU 63 -5.406 4.849 -7.616 422 HD22 LEU 63 2HD2 LEU 63 -6.728 5.880 -8.214 423 HD23 LEU 63 3HD2 LEU 63 -5.739 4.946 -9.362 424 H LEU 64 H LEU 64 -4.306 8.243 -5.319 425 HA LEU 64 HA LEU 64 -4.681 5.515 -4.631 426 HB2 LEU 64 1HB LEU 64 -2.608 7.159 -4.496 427 HB3 LEU 64 2HB LEU 64 -3.219 7.434 -2.877 428 HG LEU 64 HG LEU 64 -3.089 4.988 -2.436 429 HD11 LEU 64 1HD1 LEU 64 -1.281 4.387 -4.647 430 HD12 LEU 64 2HD1 LEU 64 -2.651 3.456 -3.995 431 HD13 LEU 64 3HD1 LEU 64 -2.939 4.744 -5.189 432 HD21 LEU 64 1HD2 LEU 64 -0.830 6.804 -2.881 433 HD22 LEU 64 2HD2 LEU 64 -1.228 5.777 -1.483 434 HD23 LEU 64 3HD2 LEU 64 -0.380 5.082 -2.886 435 H GLN 65 H GLN 65 -5.968 4.590 -3.100 436 HA GLN 65 HA GLN 65 -6.968 6.214 -0.975 437 HB2 GLN 65 1HB GLN 65 -8.657 5.457 -3.315 438 HB3 GLN 65 2HB GLN 65 -9.382 5.166 -1.747 439 HG2 GLN 65 1HG GLN 65 -8.321 7.686 -1.362 440 HG3 GLN 65 2HG GLN 65 -8.705 7.750 -3.071 441 HE21 GLN 65 1HE2 GLN 65 -9.982 9.374 -1.318 442 HE22 GLN 65 2HE2 GLN 65 -11.646 8.927 -1.137 443 H VAL 66 H VAL 66 -8.375 4.807 0.558 444 HA VAL 66 HA VAL 66 -6.962 2.505 1.186 445 HB VAL 66 HB VAL 66 -9.701 3.508 1.964 446 HG11 VAL 66 1HG1 VAL 66 -8.575 1.710 3.909 447 HG12 VAL 66 2HG1 VAL 66 -10.137 1.616 3.060 448 HG13 VAL 66 3HG1 VAL 66 -8.684 0.888 2.334 449 HG21 VAL 66 1HG2 VAL 66 -8.472 4.016 4.120 450 HG22 VAL 66 2HG2 VAL 66 -6.962 3.647 3.253 451 HG23 VAL 66 3HG2 VAL 66 -7.993 4.994 2.712 452 H GLY 67 H GLY 67 -7.149 0.356 0.644 453 HA2 GLY 67 1HA GLY 67 -8.569 -1.467 -0.023 454 HA3 GLY 67 2HA GLY 67 -9.423 -0.377 -1.097 455 H ASP 68 H ASP 68 -6.748 0.982 -1.829 456 HA ASP 68 HA ASP 68 -6.319 -0.344 -4.165 457 HB2 ASP 68 1HB ASP 68 -4.357 1.355 -2.553 458 HB3 ASP 68 2HB ASP 68 -4.147 0.945 -4.244 459 H ARG 69 H ARG 69 -5.241 -2.274 -4.634 460 HA ARG 69 HA ARG 69 -3.944 -3.609 -2.492 461 HB2 ARG 69 1HB ARG 69 -4.633 -4.280 -5.368 462 HB3 ARG 69 2HB ARG 69 -3.498 -5.301 -4.509 463 HG2 ARG 69 1HG ARG 69 -5.290 -6.388 -3.637 464 HG3 ARG 69 2HG ARG 69 -5.578 -4.965 -2.655 465 HD2 ARG 69 1HD ARG 69 -7.524 -4.595 -3.761 466 HD3 ARG 69 2HD ARG 69 -6.637 -4.386 -5.258 467 HE ARG 69 HE ARG 69 -7.116 -6.627 -5.862 468 HH11 ARG 69 2HH2 ARG 69 -8.141 -5.983 -2.557 469 HH12 ARG 69 1HH2 ARG 69 -9.064 -7.443 -2.424 470 HH21 ARG 69 2HH1 ARG 69 -8.334 -8.552 -5.686 471 HH22 ARG 69 1HH1 ARG 69 -9.174 -8.914 -4.216 472 H VAL 70 H VAL 70 -1.696 -4.119 -2.324 473 HA VAL 70 HA VAL 70 -0.001 -2.553 -4.136 474 HB VAL 70 HB VAL 70 0.252 -3.410 -1.262 475 HG11 VAL 70 1HG1 VAL 70 2.432 -3.833 -1.711 476 HG12 VAL 70 2HG1 VAL 70 2.413 -2.909 -3.232 477 HG13 VAL 70 3HG1 VAL 70 2.566 -2.058 -1.676 478 HG21 VAL 70 1HG2 VAL 70 1.009 -0.788 -1.431 479 HG22 VAL 70 2HG2 VAL 70 -0.195 -0.890 -2.738 480 HG23 VAL 70 3HG2 VAL 70 -0.644 -1.347 -1.077 481 H LEU 71 H LEU 71 0.552 -3.885 -5.819 482 HA LEU 71 HA LEU 71 0.874 -6.675 -5.469 483 HB2 LEU 71 1HB LEU 71 1.747 -4.883 -7.739 484 HB3 LEU 71 2HB LEU 71 1.639 -6.631 -7.785 485 HG LEU 71 HG LEU 71 -0.572 -4.597 -7.740 486 HD11 LEU 71 1HD1 LEU 71 -0.729 -5.161 -9.877 487 HD12 LEU 71 2HD1 LEU 71 0.608 -6.320 -9.681 488 HD13 LEU 71 3HD1 LEU 71 -1.071 -6.846 -9.414 489 HD21 LEU 71 1HD2 LEU 71 -0.949 -7.527 -7.068 490 HD22 LEU 71 2HD2 LEU 71 -1.050 -6.184 -5.904 491 HD23 LEU 71 3HD2 LEU 71 -2.220 -6.293 -7.241 492 H SER 72 H SER 72 3.264 -4.039 -6.230 493 HA SER 72 HA SER 72 5.164 -5.569 -4.652 494 HB2 SER 72 1HB SER 72 6.926 -4.839 -6.405 495 HB3 SER 72 2HB SER 72 5.865 -6.167 -6.829 496 HG SER 72 HG SER 72 4.521 -4.644 -8.012 497 H ILE 73 H ILE 73 7.259 -4.070 -4.313 498 HA ILE 73 HA ILE 73 6.403 -1.282 -4.088 499 HB ILE 73 HB ILE 73 7.458 -3.039 -1.880 500 HG12 ILE 73 1HG1 ILE 73 5.024 -1.236 -1.995 501 HG13 ILE 73 2HG1 ILE 73 4.991 -2.959 -2.315 502 HG21 ILE 73 1HG2 ILE 73 7.131 -0.046 -1.671 503 HG22 ILE 73 2HG2 ILE 73 7.921 -1.168 -0.538 504 HG23 ILE 73 3HG2 ILE 73 8.679 -0.807 -2.107 505 HD11 ILE 73 1HD1 ILE 73 6.021 -1.723 0.280 506 HD12 ILE 73 2HD1 ILE 73 4.385 -2.389 0.056 507 HD13 ILE 73 3HD1 ILE 73 5.804 -3.458 -0.054 508 H ASN 74 H ASN 74 7.790 -0.163 -5.345 509 HA ASN 74 HA ASN 74 9.670 0.654 -6.077 510 HB2 ASN 74 1HB ASN 74 10.489 -0.445 -3.593 511 HB3 ASN 74 2HB ASN 74 11.658 -1.068 -4.741 512 HD21 ASN 74 1HD2 ASN 74 11.014 1.377 -2.685 513 HD22 ASN 74 2HD2 ASN 74 11.958 2.663 -3.361 514 H GLY 75 H GLY 75 8.466 -2.335 -6.546 515 HA2 GLY 75 1HA GLY 75 8.846 -3.344 -8.701 516 HA3 GLY 75 2HA GLY 75 10.567 -3.106 -8.478 517 H ILE 76 H ILE 76 9.415 -3.865 -5.428 518 HA ILE 76 HA ILE 76 10.165 -6.663 -5.813 519 HB ILE 76 HB ILE 76 10.105 -4.874 -3.384 520 HG12 ILE 76 1HG1 ILE 76 11.960 -4.716 -5.186 521 HG13 ILE 76 2HG1 ILE 76 12.414 -4.804 -3.495 522 HG21 ILE 76 1HG2 ILE 76 9.604 -6.826 -2.332 523 HG22 ILE 76 2HG2 ILE 76 10.288 -7.837 -3.626 524 HG23 ILE 76 3HG2 ILE 76 11.367 -7.031 -2.463 525 HD11 ILE 76 1HD1 ILE 76 13.419 -6.838 -3.743 526 HD12 ILE 76 2HD1 ILE 76 12.098 -7.466 -4.758 527 HD13 ILE 76 3HD1 ILE 76 13.381 -6.470 -5.484 528 H ALA 77 H ALA 77 8.680 -8.268 -5.690 529 HA ALA 77 HA ALA 77 5.948 -7.596 -5.440 530 HB1 ALA 77 1HB ALA 77 6.540 -9.402 -6.872 531 HB2 ALA 77 2HB ALA 77 7.517 -10.188 -5.608 532 HB3 ALA 77 3HB ALA 77 5.743 -10.157 -5.471 533 H THR 78 H THR 78 4.580 -7.649 -3.691 534 HA THR 78 HA THR 78 5.821 -7.959 -1.103 535 HB THR 78 HB THR 78 3.584 -7.110 -0.347 536 HG1 THR 78 1HG THR 78 2.159 -6.626 -2.321 537 HG21 THR 78 1HG2 THR 78 4.115 -4.981 -0.998 538 HG22 THR 78 2HG2 THR 78 5.397 -5.690 -2.010 539 HG23 THR 78 3HG2 THR 78 3.789 -5.373 -2.704 540 H GLU 79 H GLU 79 3.726 -9.817 -3.278 541 HA GLU 79 HA GLU 79 2.852 -11.570 -1.251 542 HB2 GLU 79 1HB GLU 79 2.966 -12.230 -4.213 543 HB3 GLU 79 2HB GLU 79 1.818 -12.807 -3.021 544 HG2 GLU 79 1HG GLU 79 1.407 -10.107 -2.791 545 HG3 GLU 79 2HG GLU 79 1.899 -10.189 -4.471 546 H ASP 80 H ASP 80 5.845 -11.129 -2.881 547 HA ASP 80 HA ASP 80 6.555 -13.916 -2.532 548 HB2 ASP 80 1HB ASP 80 7.106 -12.246 -4.591 549 HB3 ASP 80 2HB ASP 80 8.485 -11.854 -3.583 550 H GLY 81 H GLY 81 6.087 -12.369 -0.153 551 HA2 GLY 81 1HA GLY 81 8.514 -12.732 1.247 552 HA3 GLY 81 2HA GLY 81 8.289 -11.029 0.901 553 H THR 82 H THR 82 8.168 -10.917 3.350 554 HA THR 82 HA THR 82 5.547 -11.774 4.358 555 HB THR 82 HB THR 82 6.794 -11.104 6.583 556 HG1 THR 82 1HG THR 82 9.125 -11.102 6.188 557 HG21 THR 82 1HG2 THR 82 7.368 -13.464 4.786 558 HG22 THR 82 2HG2 THR 82 8.418 -13.224 6.203 559 HG23 THR 82 3HG2 THR 82 6.665 -13.442 6.421 560 H MET 83 H MET 83 4.556 -10.202 6.018 561 HA MET 83 HA MET 83 3.809 -7.957 4.646 562 HB2 MET 83 1HB MET 83 2.876 -9.236 6.817 563 HB3 MET 83 2HB MET 83 3.811 -8.036 7.687 564 HG2 MET 83 1HG MET 83 1.645 -7.424 5.616 565 HG3 MET 83 2HG MET 83 1.451 -7.295 7.353 566 HE1 MET 83 1HE MET 83 1.503 -4.006 5.305 567 HE2 MET 83 2HE MET 83 2.757 -4.728 4.269 568 HE3 MET 83 3HE MET 83 1.304 -5.665 4.692 569 H GLU 84 H GLU 84 5.925 -8.092 7.611 570 HA GLU 84 HA GLU 84 6.578 -5.479 7.705 571 HB2 GLU 84 1HB GLU 84 7.412 -7.838 8.966 572 HB3 GLU 84 2HB GLU 84 8.894 -7.208 8.275 573 HG2 GLU 84 1HG GLU 84 7.895 -4.892 9.298 574 HG3 GLU 84 2HG GLU 84 7.129 -6.022 10.397 575 H GLU 85 H GLU 85 8.050 -8.063 5.669 576 HA GLU 85 HA GLU 85 10.228 -6.776 4.751 577 HB2 GLU 85 1HB GLU 85 8.498 -8.954 3.847 578 HB3 GLU 85 2HB GLU 85 9.151 -8.077 2.478 579 HG2 GLU 85 1HG GLU 85 11.068 -8.723 4.701 580 HG3 GLU 85 2HG GLU 85 10.508 -10.070 3.731 581 H ALA 86 H ALA 86 6.822 -6.445 3.587 582 HA ALA 86 HA ALA 86 7.422 -4.725 1.454 583 HB1 ALA 86 1HB ALA 86 5.055 -5.717 2.925 584 HB2 ALA 86 2HB ALA 86 4.848 -4.102 2.205 585 HB3 ALA 86 3HB ALA 86 5.302 -5.483 1.178 586 H ASN 87 H ASN 87 6.546 -4.164 4.915 587 HA ASN 87 HA ASN 87 6.368 -1.415 4.701 588 HB2 ASN 87 1HB ASN 87 6.824 -3.398 6.929 589 HB3 ASN 87 2HB ASN 87 7.172 -1.718 7.287 590 HD21 ASN 87 1HD2 ASN 87 4.841 -4.077 7.199 591 HD22 ASN 87 2HD2 ASN 87 3.402 -3.114 7.260 592 H GLN 88 H GLN 88 9.065 -3.588 5.847 593 HA GLN 88 HA GLN 88 10.914 -1.728 6.440 594 HB2 GLN 88 1HB GLN 88 11.272 -4.105 6.839 595 HB3 GLN 88 2HB GLN 88 11.282 -4.449 5.121 596 HG2 GLN 88 1HG GLN 88 13.554 -4.265 5.306 597 HG3 GLN 88 2HG GLN 88 13.259 -2.538 5.253 598 HE21 GLN 88 1HE2 GLN 88 13.851 -1.320 6.898 599 HE22 GLN 88 2HE2 GLN 88 14.359 -1.866 8.460 600 H LEU 89 H LEU 89 9.874 -2.852 3.211 601 HA LEU 89 HA LEU 89 12.001 -1.736 1.766 602 HB2 LEU 89 1HB LEU 89 9.222 -2.652 1.132 603 HB3 LEU 89 2HB LEU 89 10.140 -1.777 -0.077 604 HG LEU 89 HG LEU 89 11.245 -4.237 1.283 605 HD11 LEU 89 1HD1 LEU 89 10.244 -4.727 -1.395 606 HD12 LEU 89 2HD1 LEU 89 9.961 -5.626 0.115 607 HD13 LEU 89 3HD1 LEU 89 8.940 -4.226 -0.292 608 HD21 LEU 89 1HD2 LEU 89 12.912 -2.919 0.169 609 HD22 LEU 89 2HD2 LEU 89 12.592 -4.369 -0.811 610 HD23 LEU 89 3HD2 LEU 89 11.911 -2.798 -1.298 611 H LEU 90 H LEU 90 8.692 -0.484 2.570 612 HA LEU 90 HA LEU 90 8.925 1.936 1.278 613 HB2 LEU 90 1HB LEU 90 7.323 0.851 3.532 614 HB3 LEU 90 2HB LEU 90 7.360 2.594 3.349 615 HG LEU 90 HG LEU 90 5.472 1.219 2.220 616 HD11 LEU 90 1HD1 LEU 90 5.418 2.830 0.295 617 HD12 LEU 90 2HD1 LEU 90 5.631 3.575 1.898 618 HD13 LEU 90 3HD1 LEU 90 7.026 3.397 0.807 619 HD21 LEU 90 1HD2 LEU 90 7.171 -0.352 1.144 620 HD22 LEU 90 2HD2 LEU 90 5.861 0.264 0.109 621 HD23 LEU 90 3HD2 LEU 90 7.492 0.966 -0.008 622 H ARG 91 H ARG 91 10.219 0.847 4.429 623 HA ARG 91 HA ARG 91 10.834 3.295 5.465 624 HB2 ARG 91 1HB ARG 91 11.312 0.600 6.120 625 HB3 ARG 91 2HB ARG 91 12.926 1.262 5.956 626 HG2 ARG 91 1HG ARG 91 11.844 3.268 7.413 627 HG3 ARG 91 2HG ARG 91 10.765 1.985 7.925 628 HD2 ARG 91 1HD ARG 91 12.413 0.881 9.105 629 HD3 ARG 91 2HD ARG 91 13.648 1.225 7.910 630 HE ARG 91 HE ARG 91 12.827 3.639 9.306 631 HH11 ARG 91 2HH2 ARG 91 14.845 0.770 9.587 632 HH12 ARG 91 1HH2 ARG 91 15.946 1.498 10.709 633 HH21 ARG 91 2HH1 ARG 91 14.279 4.600 10.785 634 HH22 ARG 91 1HH1 ARG 91 15.622 3.692 11.394 635 H ASP 92 H ASP 92 13.275 1.035 3.976 636 HA ASP 92 HA ASP 92 15.295 2.755 3.720 637 HB2 ASP 92 1HB ASP 92 15.128 0.263 3.049 638 HB3 ASP 92 2HB ASP 92 14.519 0.813 1.501 639 H ALA 93 H ALA 93 12.422 2.347 1.580 640 HA ALA 93 HA ALA 93 13.284 3.978 -0.519 641 HB1 ALA 93 1HB ALA 93 10.991 3.893 -1.225 642 HB2 ALA 93 2HB ALA 93 11.353 2.325 -0.465 643 HB3 ALA 93 3HB ALA 93 10.427 3.554 0.430 644 H ALA 94 H ALA 94 11.538 4.665 2.561 645 HA ALA 94 HA ALA 94 10.934 7.325 2.024 646 HB1 ALA 94 1HB ALA 94 11.553 6.907 4.813 647 HB2 ALA 94 2HB ALA 94 9.961 7.062 4.031 648 HB3 ALA 94 3HB ALA 94 10.734 5.465 4.168 649 H LEU 95 H LEU 95 13.931 5.711 3.112 650 HA LEU 95 HA LEU 95 15.223 8.150 3.815 651 HB2 LEU 95 1HB LEU 95 16.442 5.454 3.218 652 HB3 LEU 95 2HB LEU 95 17.184 6.781 4.090 653 HG LEU 95 HG LEU 95 14.704 5.324 5.042 654 HD11 LEU 95 1HD1 LEU 95 16.590 4.511 6.770 655 HD12 LEU 95 2HD1 LEU 95 16.150 3.603 5.304 656 HD13 LEU 95 3HD1 LEU 95 17.585 4.655 5.302 657 HD21 LEU 95 1HD2 LEU 95 16.314 6.602 7.078 658 HD22 LEU 95 2HD2 LEU 95 15.816 7.771 5.832 659 HD23 LEU 95 3HD2 LEU 95 14.589 6.808 6.690 660 H ALA 96 H ALA 96 14.187 6.897 0.873 661 HA ALA 96 HA ALA 96 16.474 8.020 -0.574 662 HB1 ALA 96 1HB ALA 96 14.847 6.876 -2.459 663 HB2 ALA 96 2HB ALA 96 16.173 6.028 -1.628 664 HB3 ALA 96 3HB ALA 96 14.501 5.857 -1.042 665 H HIS 97 H HIS 97 13.292 8.708 0.555 666 HA HIS 97 HA HIS 97 12.008 10.474 0.295 667 HB2 HIS 97 1HB HIS 97 14.060 11.603 -1.626 668 HB3 HIS 97 2HB HIS 97 12.791 12.487 -0.800 669 HD1 HIS 97 1HD HIS 97 14.981 13.929 0.026 670 HD2 HIS 97 2HD HIS 97 14.492 10.094 1.654 671 HE1 HIS 97 1HE HIS 97 16.439 13.849 2.118 672 H LYS 98 H LYS 98 12.408 8.060 -1.729 673 HA LYS 98 HA LYS 98 10.200 8.883 -3.380 674 HB2 LYS 98 1HB LYS 98 12.434 9.603 -4.513 675 HB3 LYS 98 2HB LYS 98 12.642 7.895 -4.840 676 HG2 LYS 98 1HG LYS 98 10.050 8.176 -5.644 677 HG3 LYS 98 2HG LYS 98 10.612 9.809 -5.942 678 HD2 LYS 98 1HD LYS 98 11.204 8.854 -7.970 679 HD3 LYS 98 2HD LYS 98 12.681 8.535 -7.083 680 HE2 LYS 98 1HE LYS 98 10.791 6.401 -6.535 681 HE3 LYS 98 2HE LYS 98 10.891 6.628 -8.269 682 HZ1 LYS 98 1HZ LYS 98 13.353 6.566 -6.722 683 HZ2 LYS 98 2HZ LYS 98 12.596 5.158 -7.056 684 HZ3 LYS 98 3HZ LYS 98 13.098 6.125 -8.273 685 H VAL 99 H VAL 99 9.089 7.057 -4.315 686 HA VAL 99 HA VAL 99 10.139 4.435 -3.899 687 HB VAL 99 HB VAL 99 9.419 5.074 -1.618 688 HG11 VAL 99 1HG1 VAL 99 7.247 5.653 -1.043 689 HG12 VAL 99 2HG1 VAL 99 7.448 6.491 -2.600 690 HG13 VAL 99 3HG1 VAL 99 6.553 4.954 -2.525 691 HG21 VAL 99 1HG2 VAL 99 9.266 2.839 -1.543 692 HG22 VAL 99 2HG2 VAL 99 7.509 3.064 -1.720 693 HG23 VAL 99 3HG2 VAL 99 8.515 2.753 -3.155 694 H VAL 100 H VAL 100 8.956 2.870 -5.096 695 HA VAL 100 HA VAL 100 6.844 4.063 -6.756 696 HB VAL 100 HB VAL 100 8.896 1.936 -7.396 697 HG11 VAL 100 1HG1 VAL 100 6.308 2.219 -8.463 698 HG12 VAL 100 2HG1 VAL 100 7.405 2.926 -9.674 699 HG13 VAL 100 3HG1 VAL 100 7.651 1.253 -9.119 700 HG21 VAL 100 1HG2 VAL 100 9.355 4.576 -7.362 701 HG22 VAL 100 2HG2 VAL 100 10.073 3.493 -8.578 702 HG23 VAL 100 3HG2 VAL 100 8.626 4.448 -8.981 703 H LEU 101 H LEU 101 4.854 3.103 -6.738 704 HA LEU 101 HA LEU 101 4.702 0.478 -5.430 705 HB2 LEU 101 1HB LEU 101 2.469 2.432 -5.161 706 HB3 LEU 101 2HB LEU 101 2.938 1.106 -4.115 707 HG LEU 101 HG LEU 101 3.352 3.144 -2.952 708 HD11 LEU 101 1HD1 LEU 101 5.330 2.527 -2.105 709 HD12 LEU 101 2HD1 LEU 101 5.262 1.215 -3.306 710 HD13 LEU 101 3HD1 LEU 101 6.168 2.704 -3.665 711 HD21 LEU 101 1HD2 LEU 101 5.336 4.206 -4.902 712 HD22 LEU 101 2HD2 LEU 101 3.610 4.380 -5.301 713 HD23 LEU 101 3HD2 LEU 101 4.246 5.060 -3.784 714 H GLU 102 H GLU 102 3.157 -0.988 -6.285 715 HA GLU 102 HA GLU 102 2.083 -0.098 -8.849 716 HB2 GLU 102 1HB GLU 102 3.906 -1.724 -9.160 717 HB3 GLU 102 2HB GLU 102 3.134 -2.850 -8.061 718 HG2 GLU 102 1HG GLU 102 1.912 -3.699 -9.768 719 HG3 GLU 102 2HG GLU 102 1.168 -2.134 -10.027 720 H VAL 103 H VAL 103 -0.113 0.059 -8.805 721 HA VAL 103 HA VAL 103 -1.527 -1.671 -6.904 722 HB VAL 103 HB VAL 103 -2.769 0.707 -8.216 723 HG11 VAL 103 1HG1 VAL 103 -2.966 -0.244 -5.348 724 HG12 VAL 103 2HG1 VAL 103 -4.085 0.808 -6.247 725 HG13 VAL 103 3HG1 VAL 103 -3.965 -0.920 -6.657 726 HG21 VAL 103 1HG2 VAL 103 -0.456 0.787 -6.348 727 HG22 VAL 103 2HG2 VAL 103 -0.998 1.972 -7.561 728 HG23 VAL 103 3HG2 VAL 103 -1.814 1.879 -5.982 729 H GLU 104 H GLU 104 -3.252 -2.968 -7.605 730 HA GLU 104 HA GLU 104 -3.407 -3.165 -10.510 731 HB2 GLU 104 1HB GLU 104 -2.566 -5.134 -8.943 732 HB3 GLU 104 2HB GLU 104 -4.275 -5.383 -8.647 733 HG2 GLU 104 1HG GLU 104 -4.299 -5.143 -11.381 734 HG3 GLU 104 2HG GLU 104 -2.697 -5.817 -11.152 735 H PHE 105 H PHE 105 -5.315 -2.578 -11.454 736 HA PHE 105 HA PHE 105 -7.793 -3.130 -10.143 737 HB2 PHE 105 1HB PHE 105 -8.441 -0.663 -10.165 738 HB3 PHE 105 2HB PHE 105 -7.152 -1.008 -9.029 739 HD1 PHE 105 1HD PHE 105 -7.570 -0.008 -12.605 740 HD2 PHE 105 2HD PHE 105 -5.321 0.391 -9.029 741 HE1 PHE 105 1HE PHE 105 -6.137 1.737 -13.701 742 HE2 PHE 105 2HE PHE 105 -3.888 2.136 -10.125 743 HZ PHE 105 HZ PHE 105 -4.312 2.788 -12.447 744 H ASP 106 H ASP 106 -9.677 -2.549 -11.556 745 HA ASP 106 HA ASP 106 -8.812 -2.738 -14.310 746 HB2 ASP 106 1HB ASP 106 -11.624 -3.025 -13.157 747 HB3 ASP 106 2HB ASP 106 -11.106 -3.493 -14.764 748 H SER 107 H SER 107 -8.652 -0.717 -15.310 749 HA SER 107 HA SER 107 -9.950 1.534 -14.301 750 HB2 SER 107 1HB SER 107 -7.967 1.973 -15.490 751 HB3 SER 107 2HB SER 107 -8.389 0.894 -16.805 752 HG SER 107 HG SER 107 -9.660 2.422 -17.737 753 H GLY 108 H GLY 108 -12.226 0.871 -14.183 754 HA2 GLY 108 1HA GLY 108 -13.696 -0.009 -16.418 755 HA3 GLY 108 2HA GLY 108 -14.334 0.690 -14.943 756 HA PRO 109 HA PRO 109 -14.607 3.687 -18.493 757 HB2 PRO 109 1HB PRO 109 -17.143 3.261 -19.418 758 HB3 PRO 109 2HB PRO 109 -15.719 2.580 -20.178 759 HG2 PRO 109 1HG PRO 109 -17.735 1.239 -18.482 760 HG3 PRO 109 2HG PRO 109 -16.572 0.522 -19.580 761 HD2 PRO 109 1HD PRO 109 -16.401 0.614 -16.718 762 HD3 PRO 109 2HD PRO 109 -15.185 0.002 -17.822 763 H SER 110 H SER 110 -15.704 5.741 -18.573 764 HA SER 110 HA SER 110 -16.419 7.454 -17.419 765 HB2 SER 110 1HB SER 110 -18.560 6.738 -18.234 766 HB3 SER 110 2HB SER 110 -18.678 5.458 -17.043 767 HG SER 110 HG SER 110 -19.978 7.423 -16.586 768 H SER 111 H SER 111 -14.584 7.181 -15.838 769 HA SER 111 HA SER 111 -15.049 5.812 -13.436 770 HB2 SER 111 1HB SER 111 -12.870 7.068 -14.722 771 HB3 SER 111 2HB SER 111 -13.078 7.973 -13.235 772 HG SER 111 HG SER 111 -12.843 5.089 -13.412 773 H GLY 112 H GLY 112 -15.386 6.735 -11.277 774 HA2 GLY 112 1HA GLY 112 -16.464 9.483 -11.284 775 HA3 GLY 112 2HA GLY 112 -17.390 8.154 -10.615 Start of MODEL 19 1 H1 GLY 1 H GLY 1 6.324 -3.003 -56.679 2 HA2 GLY 1 1HA GLY 1 7.619 -5.151 -55.180 3 HA3 GLY 1 2HA GLY 1 7.882 -3.512 -54.617 4 H SER 2 H SER 2 6.735 -4.475 -52.642 5 HA SER 2 HA SER 2 4.074 -3.557 -52.695 6 HB2 SER 2 1HB SER 2 3.062 -5.761 -51.909 7 HB3 SER 2 2HB SER 2 3.482 -5.691 -53.609 8 HG SER 2 HG SER 2 5.549 -6.614 -51.928 9 H SER 3 H SER 3 3.179 -3.420 -50.483 10 HA SER 3 HA SER 3 4.542 -4.501 -48.311 11 HB2 SER 3 1HB SER 3 5.768 -2.150 -49.373 12 HB3 SER 3 2HB SER 3 4.959 -1.655 -47.899 13 HG SER 3 HG SER 3 6.171 -3.103 -46.689 14 H GLY 4 H GLY 4 2.645 -4.909 -47.213 15 HA2 GLY 4 1HA GLY 4 0.635 -2.756 -47.091 16 HA3 GLY 4 2HA GLY 4 0.341 -4.468 -46.862 17 H SER 5 H SER 5 -0.189 -2.049 -45.084 18 HA SER 5 HA SER 5 1.642 -2.306 -42.943 19 HB2 SER 5 1HB SER 5 -0.211 -0.410 -43.731 20 HB3 SER 5 2HB SER 5 -1.032 -1.144 -42.368 21 HG SER 5 HG SER 5 0.287 0.604 -41.646 22 H SER 6 H SER 6 1.424 -3.496 -41.012 23 HA SER 6 HA SER 6 -0.984 -5.133 -40.861 24 HB2 SER 6 1HB SER 6 0.854 -6.559 -41.605 25 HB3 SER 6 2HB SER 6 1.903 -5.957 -40.338 26 HG SER 6 HG SER 6 0.400 -8.103 -40.186 27 H GLY 7 H GLY 7 -1.535 -5.835 -38.603 28 HA2 GLY 7 1HA GLY 7 -0.654 -3.797 -36.660 29 HA3 GLY 7 2HA GLY 7 -2.189 -4.642 -36.651 30 H GLY 8 H GLY 8 -0.268 -4.470 -34.440 31 HA2 GLY 8 1HA GLY 8 1.014 -7.077 -34.305 32 HA3 GLY 8 2HA GLY 8 1.088 -5.781 -33.127 33 H GLY 9 H GLY 9 0.169 -6.342 -31.208 34 HA2 GLY 9 1HA GLY 9 -2.071 -6.681 -30.217 35 HA3 GLY 9 2HA GLY 9 -2.255 -8.039 -31.310 36 H GLN 10 H GLN 10 -2.219 -7.907 -28.285 37 HA GLN 10 HA GLN 10 -0.555 -10.178 -27.950 38 HB2 GLN 10 1HB GLN 10 0.720 -7.755 -27.486 39 HB3 GLN 10 2HB GLN 10 0.154 -8.177 -25.882 40 HG2 GLN 10 1HG GLN 10 1.237 -10.554 -27.153 41 HG3 GLN 10 2HG GLN 10 2.405 -9.255 -27.292 42 HE21 GLN 10 1HE2 GLN 10 1.351 -11.727 -25.408 43 HE22 GLN 10 2HE2 GLN 10 1.950 -11.251 -23.854 44 H ILE 11 H ILE 11 -0.775 -11.038 -25.604 45 HA ILE 11 HA ILE 11 -3.537 -10.849 -24.910 46 HB ILE 11 HB ILE 11 -1.198 -12.369 -23.767 47 HG12 ILE 11 1HG1 ILE 11 -3.183 -14.090 -24.764 48 HG13 ILE 11 2HG1 ILE 11 -3.055 -12.811 -25.955 49 HG21 ILE 11 1HG2 ILE 11 -3.483 -13.604 -22.834 50 HG22 ILE 11 2HG2 ILE 11 -2.383 -12.573 -21.888 51 HG23 ILE 11 3HG2 ILE 11 -3.844 -11.874 -22.627 52 HD11 ILE 11 1HD1 ILE 11 -1.437 -14.535 -26.524 53 HD12 ILE 11 2HD1 ILE 11 -0.537 -13.116 -25.934 54 HD13 ILE 11 3HD1 ILE 11 -0.775 -14.524 -24.871 55 H VAL 12 H VAL 12 -4.483 -9.923 -23.075 56 HA VAL 12 HA VAL 12 -2.673 -8.385 -21.363 57 HB VAL 12 HB VAL 12 -3.499 -6.866 -23.054 58 HG11 VAL 12 1HG1 VAL 12 -6.344 -7.099 -22.208 59 HG12 VAL 12 2HG1 VAL 12 -5.645 -6.705 -23.796 60 HG13 VAL 12 3HG1 VAL 12 -5.706 -8.396 -23.246 61 HG21 VAL 12 1HG2 VAL 12 -3.285 -5.585 -21.187 62 HG22 VAL 12 2HG2 VAL 12 -5.051 -5.451 -21.365 63 HG23 VAL 12 3HG2 VAL 12 -4.359 -6.620 -20.216 64 H HIS 13 H HIS 13 -3.354 -8.206 -19.191 65 HA HIS 13 HA HIS 13 -5.933 -9.304 -18.513 66 HB2 HIS 13 1HB HIS 13 -3.804 -11.044 -18.594 67 HB3 HIS 13 2HB HIS 13 -3.780 -10.531 -16.918 68 HD1 HIS 13 1HD HIS 13 -4.644 -12.745 -15.948 69 HD2 HIS 13 2HD HIS 13 -7.203 -11.066 -18.817 70 HE1 HIS 13 1HE HIS 13 -6.818 -14.076 -15.833 71 H THR 14 H THR 14 -6.748 -7.697 -17.267 72 HA THR 14 HA THR 14 -6.910 -6.130 -15.700 73 HB THR 14 HB THR 14 -4.464 -7.304 -14.322 74 HG1 THR 14 1HG THR 14 -5.601 -9.180 -14.814 75 HG21 THR 14 1HG2 THR 14 -7.202 -6.255 -13.451 76 HG22 THR 14 2HG2 THR 14 -6.131 -7.172 -12.364 77 HG23 THR 14 3HG2 THR 14 -5.606 -5.600 -13.013 78 H GLU 15 H GLU 15 -5.692 -4.255 -14.546 79 HA GLU 15 HA GLU 15 -3.618 -3.381 -16.405 80 HB2 GLU 15 1HB GLU 15 -5.975 -1.896 -15.219 81 HB3 GLU 15 2HB GLU 15 -4.539 -1.009 -15.692 82 HG2 GLU 15 1HG GLU 15 -5.116 -2.810 -17.842 83 HG3 GLU 15 2HG GLU 15 -6.646 -2.093 -17.378 84 H THR 16 H THR 16 -2.066 -1.737 -15.448 85 HA THR 16 HA THR 16 -1.848 -2.019 -12.531 86 HB THR 16 HB THR 16 0.723 -2.207 -13.114 87 HG1 THR 16 1HG THR 16 0.797 -3.339 -15.293 88 HG21 THR 16 1HG2 THR 16 -1.382 -4.234 -12.959 89 HG22 THR 16 2HG2 THR 16 -0.117 -4.743 -14.104 90 HG23 THR 16 3HG2 THR 16 0.311 -4.346 -12.422 91 H THR 17 H THR 17 -1.085 -0.240 -11.420 92 HA THR 17 HA THR 17 -0.476 2.103 -13.096 93 HB THR 17 HB THR 17 -2.877 1.798 -11.887 94 HG1 THR 17 1HG THR 17 -2.459 3.739 -12.949 95 HG21 THR 17 1HG2 THR 17 -1.479 1.683 -9.601 96 HG22 THR 17 2HG2 THR 17 -1.393 3.447 -9.826 97 HG23 THR 17 3HG2 THR 17 -2.976 2.643 -9.690 98 H GLU 18 H GLU 18 1.224 3.364 -12.481 99 HA GLU 18 HA GLU 18 2.705 2.294 -10.225 100 HB2 GLU 18 1HB GLU 18 3.859 2.368 -12.425 101 HB3 GLU 18 2HB GLU 18 3.607 4.100 -12.512 102 HG2 GLU 18 1HG GLU 18 5.186 4.565 -10.848 103 HG3 GLU 18 2HG GLU 18 4.960 3.023 -10.046 104 H VAL 19 H VAL 19 2.739 3.409 -8.321 105 HA VAL 19 HA VAL 19 2.005 6.252 -8.457 106 HB VAL 19 HB VAL 19 1.537 4.147 -6.342 107 HG11 VAL 19 1HG1 VAL 19 1.352 7.151 -6.196 108 HG12 VAL 19 2HG1 VAL 19 0.277 6.126 -5.216 109 HG13 VAL 19 3HG1 VAL 19 2.042 6.002 -5.025 110 HG21 VAL 19 1HG2 VAL 19 0.007 4.324 -8.383 111 HG22 VAL 19 2HG2 VAL 19 -0.770 4.414 -6.784 112 HG23 VAL 19 3HG2 VAL 19 -0.503 5.899 -7.729 113 H VAL 20 H VAL 20 3.564 7.692 -7.920 114 HA VAL 20 HA VAL 20 5.905 6.608 -6.518 115 HB VAL 20 HB VAL 20 5.609 8.935 -8.426 116 HG11 VAL 20 1HG1 VAL 20 7.379 9.783 -7.323 117 HG12 VAL 20 2HG1 VAL 20 7.712 8.251 -6.480 118 HG13 VAL 20 3HG1 VAL 20 8.307 8.502 -8.138 119 HG21 VAL 20 1HG2 VAL 20 6.170 6.118 -8.801 120 HG22 VAL 20 2HG2 VAL 20 5.923 7.398 -10.013 121 HG23 VAL 20 3HG2 VAL 20 7.546 7.111 -9.340 122 H LEU 21 H LEU 21 6.256 7.280 -4.464 123 HA LEU 21 HA LEU 21 4.831 9.712 -3.632 124 HB2 LEU 21 1HB LEU 21 5.522 7.261 -2.006 125 HB3 LEU 21 2HB LEU 21 4.766 8.715 -1.387 126 HG LEU 21 HG LEU 21 3.610 6.647 -3.252 127 HD11 LEU 21 1HD1 LEU 21 2.950 7.695 -0.508 128 HD12 LEU 21 2HD1 LEU 21 1.724 6.875 -1.503 129 HD13 LEU 21 3HD1 LEU 21 3.216 6.020 -1.046 130 HD21 LEU 21 1HD2 LEU 21 2.784 8.429 -4.405 131 HD22 LEU 21 2HD2 LEU 21 1.559 8.330 -3.116 132 HD23 LEU 21 3HD2 LEU 21 2.873 9.527 -3.006 133 H CYS 22 H CYS 22 5.935 11.045 -1.994 134 HA CYS 22 HA CYS 22 8.816 10.584 -1.937 135 HB2 CYS 22 1HB CYS 22 8.441 12.188 -3.742 136 HB3 CYS 22 2HB CYS 22 7.490 13.211 -2.684 137 HG CYS 22 HG CYS 22 9.246 14.162 -1.287 138 H GLY 23 H GLY 23 9.840 11.583 -0.029 139 HA2 GLY 23 1HA GLY 23 8.546 13.151 1.860 140 HA3 GLY 23 2HA GLY 23 8.206 11.485 2.285 141 H ASP 24 H ASP 24 9.581 12.603 4.208 142 HA ASP 24 HA ASP 24 12.394 12.418 3.635 143 HB2 ASP 24 1HB ASP 24 10.700 13.744 5.595 144 HB3 ASP 24 2HB ASP 24 11.906 12.790 6.435 145 HA PRO 25 HA PRO 25 12.809 8.537 5.640 146 HB2 PRO 25 1HB PRO 25 15.155 8.715 7.031 147 HB3 PRO 25 2HB PRO 25 15.085 8.449 5.301 148 HG2 PRO 25 1HG PRO 25 15.780 10.919 6.769 149 HG3 PRO 25 2HG PRO 25 16.109 10.506 5.098 150 HD2 PRO 25 1HD PRO 25 14.073 12.284 6.058 151 HD3 PRO 25 2HD PRO 25 14.328 11.780 4.399 152 H LEU 26 H LEU 26 12.447 11.288 7.546 153 HA LEU 26 HA LEU 26 12.105 9.665 9.944 154 HB2 LEU 26 1HB LEU 26 12.788 12.445 9.346 155 HB3 LEU 26 2HB LEU 26 11.579 12.291 10.604 156 HG LEU 26 HG LEU 26 14.257 10.874 10.634 157 HD11 LEU 26 1HD1 LEU 26 15.146 12.851 11.137 158 HD12 LEU 26 2HD1 LEU 26 13.548 13.622 11.288 159 HD13 LEU 26 3HD1 LEU 26 14.253 12.757 12.674 160 HD21 LEU 26 1HD2 LEU 26 11.883 10.465 12.142 161 HD22 LEU 26 2HD2 LEU 26 13.479 9.705 12.347 162 HD23 LEU 26 3HD2 LEU 26 13.090 11.206 13.220 163 H SER 27 H SER 27 10.316 12.145 7.981 164 HA SER 27 HA SER 27 7.909 11.582 9.328 165 HB2 SER 27 1HB SER 27 8.440 13.029 6.694 166 HB3 SER 27 2HB SER 27 6.896 13.019 7.523 167 HG SER 27 HG SER 27 9.209 13.820 9.000 168 H GLY 28 H GLY 28 9.683 10.084 6.738 169 HA2 GLY 28 1HA GLY 28 9.255 8.241 5.516 170 HA3 GLY 28 2HA GLY 28 7.808 7.979 6.468 171 H PHE 29 H PHE 29 5.897 8.076 5.376 172 HA PHE 29 HA PHE 29 5.743 9.938 3.125 173 HB2 PHE 29 1HB PHE 29 5.060 6.954 3.323 174 HB3 PHE 29 2HB PHE 29 4.327 7.958 2.087 175 HD1 PHE 29 1HD PHE 29 6.560 9.666 1.248 176 HD2 PHE 29 2HD PHE 29 6.513 5.533 2.210 177 HE1 PHE 29 1HE PHE 29 8.554 9.298 -0.231 178 HE2 PHE 29 2HE PHE 29 8.507 5.166 0.730 179 HZ PHE 29 HZ PHE 29 9.503 7.053 -0.473 180 H GLY 30 H GLY 30 3.376 7.426 4.075 181 HA2 GLY 30 1HA GLY 30 1.798 8.378 5.929 182 HA3 GLY 30 2HA GLY 30 1.458 9.558 4.679 183 H LEU 31 H LEU 31 1.770 5.952 5.060 184 HA LEU 31 HA LEU 31 -0.826 5.644 3.844 185 HB2 LEU 31 1HB LEU 31 -0.222 4.457 1.963 186 HB3 LEU 31 2HB LEU 31 0.891 5.811 1.976 187 HG LEU 31 HG LEU 31 2.376 3.962 3.307 188 HD11 LEU 31 1HD1 LEU 31 0.260 2.481 1.958 189 HD12 LEU 31 2HD1 LEU 31 1.884 1.995 1.414 190 HD13 LEU 31 3HD1 LEU 31 1.470 1.935 3.144 191 HD21 LEU 31 1HD2 LEU 31 3.313 3.470 0.904 192 HD22 LEU 31 2HD2 LEU 31 2.175 4.752 0.425 193 HD23 LEU 31 3HD2 LEU 31 3.448 5.093 1.621 194 H GLN 32 H GLN 32 -1.784 3.610 4.350 195 HA GLN 32 HA GLN 32 -0.165 2.041 6.202 196 HB2 GLN 32 1HB GLN 32 -2.809 3.314 6.570 197 HB3 GLN 32 2HB GLN 32 -2.798 1.616 7.006 198 HG2 GLN 32 1HG GLN 32 -0.454 3.207 7.972 199 HG3 GLN 32 2HG GLN 32 -1.997 3.629 8.689 200 HE21 GLN 32 1HE2 GLN 32 -1.263 2.852 10.681 201 HE22 GLN 32 2HE2 GLN 32 -1.210 1.162 11.059 202 H LEU 33 H LEU 33 0.111 -0.046 5.543 203 HA LEU 33 HA LEU 33 -1.497 -0.987 3.337 204 HB2 LEU 33 1HB LEU 33 0.846 -2.224 4.790 205 HB3 LEU 33 2HB LEU 33 0.079 -2.880 3.357 206 HG LEU 33 HG LEU 33 1.613 -0.277 3.568 207 HD11 LEU 33 1HD1 LEU 33 2.958 -1.536 1.721 208 HD12 LEU 33 2HD1 LEU 33 3.223 -1.926 3.437 209 HD13 LEU 33 3HD1 LEU 33 2.212 -2.989 2.428 210 HD21 LEU 33 1HD2 LEU 33 -0.289 -1.254 1.510 211 HD22 LEU 33 2HD2 LEU 33 0.161 0.404 1.974 212 HD23 LEU 33 3HD2 LEU 33 1.236 -0.549 0.922 213 H GLN 34 H GLN 34 -2.210 -3.413 3.479 214 HA GLN 34 HA GLN 34 -3.082 -4.076 6.145 215 HB2 GLN 34 1HB GLN 34 -5.081 -3.022 5.693 216 HB3 GLN 34 2HB GLN 34 -4.885 -3.145 3.956 217 HG2 GLN 34 1HG GLN 34 -5.243 -5.746 5.391 218 HG3 GLN 34 2HG GLN 34 -6.635 -4.680 5.411 219 HE21 GLN 34 1HE2 GLN 34 -7.754 -6.175 4.128 220 HE22 GLN 34 2HE2 GLN 34 -7.505 -6.300 2.419 221 H GLY 35 H GLY 35 -2.662 -6.218 6.459 222 HA2 GLY 35 1HA GLY 35 -3.248 -8.150 4.398 223 HA3 GLY 35 2HA GLY 35 -1.534 -7.913 4.674 224 H GLY 36 H GLY 36 -1.465 -10.170 5.440 225 HA2 GLY 36 1HA GLY 36 -2.856 -11.438 7.327 226 HA3 GLY 36 2HA GLY 36 -1.108 -11.520 7.235 227 H ILE 37 H ILE 37 -2.848 -11.653 9.643 228 HA ILE 37 HA ILE 37 -2.788 -9.202 11.005 229 HB ILE 37 HB ILE 37 -2.990 -12.069 11.909 230 HG12 ILE 37 1HG1 ILE 37 -5.184 -10.037 12.085 231 HG13 ILE 37 2HG1 ILE 37 -4.805 -10.723 10.517 232 HG21 ILE 37 1HG2 ILE 37 -3.720 -11.180 14.098 233 HG22 ILE 37 2HG2 ILE 37 -2.011 -10.833 13.741 234 HG23 ILE 37 3HG2 ILE 37 -3.233 -9.550 13.575 235 HD11 ILE 37 1HD1 ILE 37 -5.026 -13.032 11.505 236 HD12 ILE 37 2HD1 ILE 37 -5.525 -12.282 13.041 237 HD13 ILE 37 3HD1 ILE 37 -6.532 -12.086 11.586 238 H PHE 38 H PHE 38 -0.638 -12.122 11.284 239 HA PHE 38 HA PHE 38 1.201 -10.756 12.935 240 HB2 PHE 38 1HB PHE 38 1.024 -13.323 11.305 241 HB3 PHE 38 2HB PHE 38 2.593 -12.868 11.940 242 HD1 PHE 38 1HD PHE 38 -0.931 -13.127 13.169 243 HD2 PHE 38 2HD PHE 38 3.186 -13.788 13.961 244 HE1 PHE 38 1HE PHE 38 -1.522 -14.167 15.376 245 HE2 PHE 38 2HE PHE 38 2.594 -14.828 16.168 246 HZ PHE 38 HZ PHE 38 0.248 -15.005 16.849 247 H ALA 39 H ALA 39 3.417 -10.139 12.430 248 HA ALA 39 HA ALA 39 3.576 -8.875 9.853 249 HB1 ALA 39 1HB ALA 39 4.426 -8.217 12.359 250 HB2 ALA 39 2HB ALA 39 5.922 -8.898 11.677 251 HB3 ALA 39 3HB ALA 39 5.115 -7.534 10.867 252 H THR 40 H THR 40 5.445 -11.377 11.706 253 HA THR 40 HA THR 40 7.049 -11.995 9.409 254 HB THR 40 HB THR 40 8.095 -12.233 11.555 255 HG1 THR 40 1HG THR 40 8.440 -14.089 10.166 256 HG21 THR 40 1HG2 THR 40 5.419 -13.232 12.354 257 HG22 THR 40 2HG2 THR 40 6.751 -14.251 12.950 258 HG23 THR 40 3HG2 THR 40 6.702 -12.520 13.361 259 H GLU 41 H GLU 41 5.679 -12.565 7.708 260 HA GLU 41 HA GLU 41 5.101 -15.240 7.544 261 HB2 GLU 41 1HB GLU 41 2.612 -15.246 7.559 262 HB3 GLU 41 2HB GLU 41 3.278 -14.863 9.134 263 HG2 GLU 41 1HG GLU 41 2.134 -12.909 9.153 264 HG3 GLU 41 2HG GLU 41 3.010 -12.375 7.732 265 H THR 42 H THR 42 5.447 -15.534 5.389 266 HA THR 42 HA THR 42 5.587 -13.533 3.530 267 HB THR 42 HB THR 42 4.799 -16.454 3.056 268 HG1 THR 42 1HG THR 42 7.207 -16.621 3.123 269 HG21 THR 42 1HG2 THR 42 6.489 -14.461 1.455 270 HG22 THR 42 2HG2 THR 42 6.269 -16.180 1.049 271 HG23 THR 42 3HG2 THR 42 4.884 -15.064 0.979 272 H LEU 43 H LEU 43 4.267 -12.783 1.805 273 HA LEU 43 HA LEU 43 1.431 -12.927 2.514 274 HB2 LEU 43 1HB LEU 43 3.043 -10.896 0.970 275 HB3 LEU 43 2HB LEU 43 1.293 -10.878 1.058 276 HG LEU 43 HG LEU 43 3.144 -10.677 3.450 277 HD11 LEU 43 1HD1 LEU 43 2.115 -8.654 1.572 278 HD12 LEU 43 2HD1 LEU 43 1.869 -8.273 3.293 279 HD13 LEU 43 3HD1 LEU 43 3.507 -8.602 2.679 280 HD21 LEU 43 1HD2 LEU 43 0.450 -9.699 3.842 281 HD22 LEU 43 2HD2 LEU 43 0.443 -11.405 3.334 282 HD23 LEU 43 3HD2 LEU 43 1.372 -10.907 4.768 283 H SER 44 H SER 44 0.212 -14.320 1.368 284 HA SER 44 HA SER 44 1.256 -15.399 -1.039 285 HB2 SER 44 1HB SER 44 -0.727 -16.105 0.912 286 HB3 SER 44 2HB SER 44 -1.534 -16.058 -0.643 287 HG SER 44 HG SER 44 0.961 -17.459 -0.211 288 H SER 45 H SER 45 -0.731 -12.688 -0.136 289 HA SER 45 HA SER 45 -1.355 -12.313 -2.950 290 HB2 SER 45 1HB SER 45 -3.248 -12.547 -0.699 291 HB3 SER 45 2HB SER 45 -3.467 -11.063 -1.605 292 HG SER 45 HG SER 45 -4.635 -13.118 -2.338 293 HA PRO 46 HA PRO 46 -0.001 -8.246 -2.193 294 HB2 PRO 46 1HB PRO 46 -1.542 -6.699 -3.836 295 HB3 PRO 46 2HB PRO 46 -0.179 -7.641 -4.407 296 HG2 PRO 46 1HG PRO 46 -3.068 -8.186 -4.717 297 HG3 PRO 46 2HG PRO 46 -1.722 -8.856 -5.617 298 HD2 PRO 46 1HD PRO 46 -3.217 -10.157 -3.543 299 HD3 PRO 46 2HD PRO 46 -1.799 -10.781 -4.363 300 HA PRO 47 HA PRO 47 -2.380 -6.575 0.925 301 HB2 PRO 47 1HB PRO 47 -0.654 -4.650 1.809 302 HB3 PRO 47 2HB PRO 47 -0.563 -6.324 2.317 303 HG2 PRO 47 1HG PRO 47 1.170 -4.868 0.416 304 HG3 PRO 47 2HG PRO 47 1.482 -6.377 1.251 305 HD2 PRO 47 1HD PRO 47 0.730 -6.060 -1.499 306 HD3 PRO 47 2HD PRO 47 0.928 -7.571 -0.634 307 H LEU 48 H LEU 48 -3.581 -4.671 1.598 308 HA LEU 48 HA LEU 48 -3.709 -2.796 -0.662 309 HB2 LEU 48 1HB LEU 48 -6.045 -3.564 1.074 310 HB3 LEU 48 2HB LEU 48 -6.056 -2.670 -0.433 311 HG LEU 48 HG LEU 48 -4.879 -5.261 -0.883 312 HD11 LEU 48 1HD1 LEU 48 -7.380 -5.215 0.769 313 HD12 LEU 48 2HD1 LEU 48 -7.167 -6.469 -0.477 314 HD13 LEU 48 3HD1 LEU 48 -5.981 -6.313 0.841 315 HD21 LEU 48 1HD2 LEU 48 -5.797 -3.999 -2.676 316 HD22 LEU 48 2HD2 LEU 48 -6.826 -5.436 -2.470 317 HD23 LEU 48 3HD2 LEU 48 -7.373 -3.856 -1.861 318 H VAL 49 H VAL 49 -4.892 -0.663 0.128 319 HA VAL 49 HA VAL 49 -3.316 0.233 2.381 320 HB VAL 49 HB VAL 49 -5.036 1.575 0.301 321 HG11 VAL 49 1HG1 VAL 49 -4.759 3.674 1.285 322 HG12 VAL 49 2HG1 VAL 49 -5.136 2.627 2.674 323 HG13 VAL 49 3HG1 VAL 49 -3.453 3.113 2.356 324 HG21 VAL 49 1HG2 VAL 49 -2.252 0.873 0.511 325 HG22 VAL 49 2HG2 VAL 49 -3.124 1.630 -0.844 326 HG23 VAL 49 3HG2 VAL 49 -2.415 2.644 0.436 327 H CYS 50 H CYS 50 -4.105 0.816 4.390 328 HA CYS 50 HA CYS 50 -6.897 0.098 4.830 329 HB2 CYS 50 1HB CYS 50 -5.457 -1.153 6.248 330 HB3 CYS 50 2HB CYS 50 -4.506 0.255 6.677 331 HG CYS 50 HG CYS 50 -6.522 1.570 7.810 332 H PHE 51 H PHE 51 -4.463 2.702 4.985 333 HA PHE 51 HA PHE 51 -6.532 4.658 5.099 334 HB2 PHE 51 1HB PHE 51 -6.405 4.221 7.495 335 HB3 PHE 51 2HB PHE 51 -4.666 4.012 7.438 336 HD1 PHE 51 2HD PHE 51 -7.361 6.537 7.211 337 HD2 PHE 51 1HD PHE 51 -3.209 5.846 7.757 338 HE1 PHE 51 2HE PHE 51 -7.050 8.935 7.885 339 HE2 PHE 51 1HE PHE 51 -2.899 8.244 8.430 340 HZ PHE 51 HZ PHE 51 -4.823 9.760 8.486 341 H ILE 52 H ILE 52 -5.638 6.893 4.879 342 HA ILE 52 HA ILE 52 -2.839 6.881 4.020 343 HB ILE 52 HB ILE 52 -5.258 7.685 2.451 344 HG12 ILE 52 1HG1 ILE 52 -2.744 6.099 1.888 345 HG13 ILE 52 2HG1 ILE 52 -4.393 5.510 1.961 346 HG21 ILE 52 1HG2 ILE 52 -4.075 9.731 2.428 347 HG22 ILE 52 2HG2 ILE 52 -2.504 8.912 2.252 348 HG23 ILE 52 3HG2 ILE 52 -3.666 8.907 0.904 349 HD11 ILE 52 1HD1 ILE 52 -4.167 5.728 -0.339 350 HD12 ILE 52 2HD1 ILE 52 -4.773 7.357 0.046 351 HD13 ILE 52 3HD1 ILE 52 -3.031 7.092 -0.204 352 H GLU 53 H GLU 53 -1.698 8.422 5.061 353 HA GLU 53 HA GLU 53 -2.902 10.077 6.900 354 HB2 GLU 53 1HB GLU 53 -0.195 9.681 5.772 355 HB3 GLU 53 2HB GLU 53 -0.474 11.318 6.332 356 HG2 GLU 53 1HG GLU 53 -1.596 9.759 8.374 357 HG3 GLU 53 2HG GLU 53 -0.193 8.825 7.893 358 HA PRO 54 HA PRO 54 -4.221 13.416 4.449 359 HB2 PRO 54 1HB PRO 54 -4.647 15.293 6.389 360 HB3 PRO 54 2HB PRO 54 -5.798 14.027 6.011 361 HG2 PRO 54 1HG PRO 54 -3.973 14.241 8.327 362 HG3 PRO 54 2HG PRO 54 -5.399 13.239 8.142 363 HD2 PRO 54 1HD PRO 54 -2.667 12.385 7.961 364 HD3 PRO 54 2HD PRO 54 -4.092 11.410 7.663 365 H ASP 55 H ASP 55 -3.489 15.124 3.242 366 HA ASP 55 HA ASP 55 -2.046 16.570 2.518 367 HB2 ASP 55 1HB ASP 55 -1.954 16.929 5.412 368 HB3 ASP 55 2HB ASP 55 -0.364 17.225 4.736 369 H SER 56 H SER 56 -1.370 13.558 3.305 370 HA SER 56 HA SER 56 1.487 13.701 3.500 371 HB2 SER 56 1HB SER 56 1.356 11.549 4.247 372 HB3 SER 56 2HB SER 56 -0.349 11.904 4.436 373 HG SER 56 HG SER 56 -0.689 10.313 3.053 374 HA PRO 57 HA PRO 57 2.316 12.774 -0.687 375 HB2 PRO 57 1HB PRO 57 3.992 10.616 -0.745 376 HB3 PRO 57 2HB PRO 57 4.528 12.234 -0.340 377 HG2 PRO 57 1HG PRO 57 4.077 9.928 1.453 378 HG3 PRO 57 2HG PRO 57 4.996 11.389 1.754 379 HD2 PRO 57 1HD PRO 57 2.378 10.774 2.750 380 HD3 PRO 57 2HD PRO 57 3.250 12.281 2.954 381 H ALA 58 H ALA 58 1.356 9.837 0.963 382 HA ALA 58 HA ALA 58 0.584 8.493 -1.384 383 HB1 ALA 58 1HB ALA 58 -0.959 7.674 0.904 384 HB2 ALA 58 2HB ALA 58 0.415 6.847 0.132 385 HB3 ALA 58 3HB ALA 58 0.704 8.030 1.429 386 H GLU 59 H GLU 59 -0.923 10.965 0.665 387 HA GLU 59 HA GLU 59 -3.514 10.483 -0.412 388 HB2 GLU 59 1HB GLU 59 -3.091 11.383 1.904 389 HB3 GLU 59 2HB GLU 59 -2.488 12.866 1.192 390 HG2 GLU 59 1HG GLU 59 -4.795 13.282 1.730 391 HG3 GLU 59 2HG GLU 59 -4.732 13.102 -0.012 392 H ARG 60 H ARG 60 -0.813 12.813 -0.902 393 HA ARG 60 HA ARG 60 -2.064 14.625 -2.463 394 HB2 ARG 60 1HB ARG 60 0.765 13.525 -2.433 395 HB3 ARG 60 2HB ARG 60 0.324 14.709 -3.647 396 HG2 ARG 60 1HG ARG 60 -0.725 15.814 -1.298 397 HG3 ARG 60 2HG ARG 60 0.762 15.070 -0.744 398 HD2 ARG 60 1HD ARG 60 2.120 16.425 -2.116 399 HD3 ARG 60 2HD ARG 60 0.843 16.714 -3.281 400 HE ARG 60 HE ARG 60 0.276 17.815 -0.619 401 HH11 ARG 60 2HH2 ARG 60 1.754 18.426 -3.753 402 HH12 ARG 60 1HH2 ARG 60 1.657 20.149 -3.606 403 HH21 ARG 60 2HH1 ARG 60 0.147 20.088 -0.424 404 HH22 ARG 60 1HH1 ARG 60 0.737 21.101 -1.699 405 H CYS 61 H CYS 61 -1.164 11.286 -3.194 406 HA CYS 61 HA CYS 61 -1.090 11.465 -5.974 407 HB2 CYS 61 1HB CYS 61 -1.513 9.227 -4.012 408 HB3 CYS 61 2HB CYS 61 -1.793 8.935 -5.717 409 HG CYS 61 HG CYS 61 0.466 9.122 -6.576 410 H GLY 62 H GLY 62 -3.690 11.418 -3.567 411 HA2 GLY 62 1HA GLY 62 -5.895 11.840 -3.792 412 HA3 GLY 62 2HA GLY 62 -5.645 12.169 -5.495 413 H LEU 63 H LEU 63 -4.789 9.887 -6.663 414 HA LEU 63 HA LEU 63 -7.099 8.304 -6.715 415 HB2 LEU 63 1HB LEU 63 -6.221 7.686 -8.633 416 HB3 LEU 63 2HB LEU 63 -4.840 8.706 -8.281 417 HG LEU 63 HG LEU 63 -3.935 6.601 -7.007 418 HD11 LEU 63 1HD1 LEU 63 -5.300 4.935 -9.015 419 HD12 LEU 63 2HD1 LEU 63 -4.893 4.597 -7.315 420 HD13 LEU 63 3HD1 LEU 63 -6.349 5.541 -7.711 421 HD21 LEU 63 1HD2 LEU 63 -4.009 6.849 -10.025 422 HD22 LEU 63 2HD2 LEU 63 -2.814 7.551 -8.907 423 HD23 LEU 63 3HD2 LEU 63 -2.903 5.786 -9.121 424 H LEU 64 H LEU 64 -4.024 8.103 -4.922 425 HA LEU 64 HA LEU 64 -4.356 5.421 -4.111 426 HB2 LEU 64 1HB LEU 64 -2.392 7.374 -3.970 427 HB3 LEU 64 2HB LEU 64 -2.850 7.134 -2.295 428 HG LEU 64 HG LEU 64 -1.890 4.996 -4.217 429 HD11 LEU 64 1HD1 LEU 64 -0.352 6.834 -2.982 430 HD12 LEU 64 2HD1 LEU 64 -0.427 5.592 -1.709 431 HD13 LEU 64 3HD1 LEU 64 0.178 5.171 -3.329 432 HD21 LEU 64 1HD2 LEU 64 -2.746 3.439 -2.893 433 HD22 LEU 64 2HD2 LEU 64 -1.906 4.134 -1.486 434 HD23 LEU 64 3HD2 LEU 64 -3.532 4.709 -1.925 435 H GLN 65 H GLN 65 -5.425 4.512 -2.384 436 HA GLN 65 HA GLN 65 -6.207 5.912 -0.148 437 HB2 GLN 65 1HB GLN 65 -8.719 5.967 -0.565 438 HB3 GLN 65 2HB GLN 65 -7.790 7.168 -1.439 439 HG2 GLN 65 1HG GLN 65 -7.741 5.050 -3.223 440 HG3 GLN 65 2HG GLN 65 -9.311 4.828 -2.476 441 HE21 GLN 65 1HE2 GLN 65 -10.531 5.425 -4.184 442 HE22 GLN 65 2HE2 GLN 65 -10.613 7.029 -4.832 443 H VAL 66 H VAL 66 -7.212 4.499 1.413 444 HA VAL 66 HA VAL 66 -6.536 1.934 1.431 445 HB VAL 66 HB VAL 66 -7.413 2.546 3.409 446 HG11 VAL 66 1HG1 VAL 66 -9.230 4.229 1.757 447 HG12 VAL 66 2HG1 VAL 66 -9.814 3.764 3.373 448 HG13 VAL 66 3HG1 VAL 66 -8.275 4.642 3.202 449 HG21 VAL 66 1HG2 VAL 66 -9.259 1.247 3.958 450 HG22 VAL 66 2HG2 VAL 66 -10.090 1.587 2.420 451 HG23 VAL 66 3HG2 VAL 66 -8.695 0.481 2.453 452 H GLY 67 H GLY 67 -7.427 -0.117 0.858 453 HA2 GLY 67 1HA GLY 67 -8.906 -1.525 -0.206 454 HA3 GLY 67 2HA GLY 67 -9.791 -0.153 -0.841 455 H ASP 68 H ASP 68 -6.350 0.172 -1.166 456 HA ASP 68 HA ASP 68 -6.629 -0.597 -3.962 457 HB2 ASP 68 1HB ASP 68 -4.722 1.382 -2.629 458 HB3 ASP 68 2HB ASP 68 -4.684 0.977 -4.333 459 H ARG 69 H ARG 69 -5.415 -2.407 -4.544 460 HA ARG 69 HA ARG 69 -3.780 -3.643 -2.659 461 HB2 ARG 69 1HB ARG 69 -4.836 -4.199 -5.317 462 HB3 ARG 69 2HB ARG 69 -3.142 -4.647 -5.271 463 HG2 ARG 69 1HG ARG 69 -3.556 -6.450 -3.944 464 HG3 ARG 69 2HG ARG 69 -4.503 -5.498 -2.818 465 HD2 ARG 69 1HD ARG 69 -6.172 -6.908 -3.626 466 HD3 ARG 69 2HD ARG 69 -6.338 -5.587 -4.766 467 HE ARG 69 HE ARG 69 -4.425 -7.225 -5.943 468 HH11 ARG 69 2HH2 ARG 69 -7.700 -7.720 -4.754 469 HH12 ARG 69 1HH2 ARG 69 -8.053 -8.990 -5.878 470 HH21 ARG 69 2HH1 ARG 69 -4.890 -8.901 -7.425 471 HH22 ARG 69 1HH1 ARG 69 -6.443 -9.666 -7.407 472 H VAL 70 H VAL 70 -1.411 -4.333 -3.202 473 HA VAL 70 HA VAL 70 -0.004 -2.263 -4.703 474 HB VAL 70 HB VAL 70 0.297 -2.912 -1.786 475 HG11 VAL 70 1HG1 VAL 70 2.477 -1.436 -2.096 476 HG12 VAL 70 2HG1 VAL 70 2.522 -3.205 -2.288 477 HG13 VAL 70 3HG1 VAL 70 2.454 -2.156 -3.724 478 HG21 VAL 70 1HG2 VAL 70 -0.389 -0.807 -1.475 479 HG22 VAL 70 2HG2 VAL 70 0.790 -0.175 -2.649 480 HG23 VAL 70 3HG2 VAL 70 -0.793 -0.766 -3.208 481 H LEU 71 H LEU 71 0.098 -4.059 -6.267 482 HA LEU 71 HA LEU 71 0.960 -6.559 -5.896 483 HB2 LEU 71 1HB LEU 71 1.830 -4.655 -8.075 484 HB3 LEU 71 2HB LEU 71 2.004 -6.398 -8.137 485 HG LEU 71 HG LEU 71 -0.525 -4.759 -8.219 486 HD11 LEU 71 1HD1 LEU 71 1.083 -6.285 -10.119 487 HD12 LEU 71 2HD1 LEU 71 -0.633 -6.756 -10.132 488 HD13 LEU 71 3HD1 LEU 71 -0.175 -5.057 -10.400 489 HD21 LEU 71 1HD2 LEU 71 -0.202 -7.628 -7.391 490 HD22 LEU 71 2HD2 LEU 71 -1.249 -6.358 -6.714 491 HD23 LEU 71 3HD2 LEU 71 -1.653 -7.103 -8.279 492 H SER 72 H SER 72 3.315 -3.892 -6.655 493 HA SER 72 HA SER 72 5.135 -5.257 -4.835 494 HB2 SER 72 1HB SER 72 6.967 -4.354 -6.486 495 HB3 SER 72 2HB SER 72 6.106 -5.827 -6.885 496 HG SER 72 HG SER 72 4.999 -3.349 -7.778 497 H ILE 73 H ILE 73 7.077 -3.665 -4.277 498 HA ILE 73 HA ILE 73 6.107 -0.909 -4.212 499 HB ILE 73 HB ILE 73 6.930 -2.573 -1.837 500 HG12 ILE 73 1HG1 ILE 73 4.440 -0.905 -2.273 501 HG13 ILE 73 2HG1 ILE 73 4.533 -2.614 -2.651 502 HG21 ILE 73 1HG2 ILE 73 7.813 -0.784 -0.874 503 HG22 ILE 73 2HG2 ILE 73 7.469 0.199 -2.318 504 HG23 ILE 73 3HG2 ILE 73 6.250 0.055 -1.029 505 HD11 ILE 73 1HD1 ILE 73 4.942 -3.212 -0.354 506 HD12 ILE 73 2HD1 ILE 73 5.260 -1.520 0.098 507 HD13 ILE 73 3HD1 ILE 73 3.610 -2.032 -0.331 508 H ASN 74 H ASN 74 7.617 0.210 -5.321 509 HA ASN 74 HA ASN 74 9.563 1.108 -5.744 510 HB2 ASN 74 1HB ASN 74 10.082 0.078 -3.209 511 HB3 ASN 74 2HB ASN 74 11.306 -0.733 -4.166 512 HD21 ASN 74 1HD2 ASN 74 10.764 1.848 -2.302 513 HD22 ASN 74 2HD2 ASN 74 11.880 3.005 -2.946 514 H GLY 75 H GLY 75 8.486 -1.929 -6.380 515 HA2 GLY 75 1HA GLY 75 9.103 -2.860 -8.523 516 HA3 GLY 75 2HA GLY 75 10.786 -2.586 -8.120 517 H ILE 76 H ILE 76 9.384 -3.446 -5.214 518 HA ILE 76 HA ILE 76 10.212 -6.223 -5.600 519 HB ILE 76 HB ILE 76 9.851 -4.591 -3.084 520 HG12 ILE 76 1HG1 ILE 76 11.736 -3.893 -4.594 521 HG13 ILE 76 2HG1 ILE 76 12.210 -4.389 -2.981 522 HG21 ILE 76 1HG2 ILE 76 9.573 -6.670 -2.224 523 HG22 ILE 76 2HG2 ILE 76 10.405 -7.470 -3.580 524 HG23 ILE 76 3HG2 ILE 76 11.352 -6.666 -2.305 525 HD11 ILE 76 1HD1 ILE 76 12.475 -6.786 -4.107 526 HD12 ILE 76 2HD1 ILE 76 12.600 -5.831 -5.604 527 HD13 ILE 76 3HD1 ILE 76 13.758 -5.565 -4.279 528 H ALA 77 H ALA 77 8.765 -7.877 -5.552 529 HA ALA 77 HA ALA 77 5.993 -7.207 -5.457 530 HB1 ALA 77 1HB ALA 77 7.564 -9.790 -5.754 531 HB2 ALA 77 2HB ALA 77 5.785 -9.729 -5.764 532 HB3 ALA 77 3HB ALA 77 6.713 -8.873 -7.020 533 H THR 78 H THR 78 4.676 -7.173 -3.702 534 HA THR 78 HA THR 78 5.778 -7.818 -1.138 535 HB THR 78 HB THR 78 3.736 -6.803 -0.339 536 HG1 THR 78 1HG THR 78 2.822 -7.216 -3.097 537 HG21 THR 78 1HG2 THR 78 3.868 -4.725 -1.343 538 HG22 THR 78 2HG2 THR 78 5.254 -5.435 -2.205 539 HG23 THR 78 3HG2 THR 78 3.650 -5.401 -2.974 540 H GLU 79 H GLU 79 4.089 -9.578 -3.611 541 HA GLU 79 HA GLU 79 2.886 -11.406 -1.809 542 HB2 GLU 79 1HB GLU 79 3.433 -11.806 -4.779 543 HB3 GLU 79 2HB GLU 79 2.224 -12.624 -3.809 544 HG2 GLU 79 1HG GLU 79 1.371 -10.141 -3.321 545 HG3 GLU 79 2HG GLU 79 2.249 -9.762 -4.790 546 H ASP 80 H ASP 80 6.076 -10.889 -3.011 547 HA ASP 80 HA ASP 80 6.745 -13.680 -2.543 548 HB2 ASP 80 1HB ASP 80 7.446 -12.098 -4.643 549 HB3 ASP 80 2HB ASP 80 8.770 -11.706 -3.564 550 H GLY 81 H GLY 81 6.123 -11.695 -0.402 551 HA2 GLY 81 1HA GLY 81 8.573 -11.958 1.132 552 HA3 GLY 81 2HA GLY 81 8.079 -10.311 0.790 553 H THR 82 H THR 82 8.041 -10.553 3.344 554 HA THR 82 HA THR 82 5.432 -11.605 4.183 555 HB THR 82 HB THR 82 6.561 -11.274 6.495 556 HG1 THR 82 1HG THR 82 8.161 -9.777 5.307 557 HG21 THR 82 1HG2 THR 82 8.500 -13.062 5.729 558 HG22 THR 82 2HG2 THR 82 6.807 -13.532 6.017 559 HG23 THR 82 3HG2 THR 82 7.373 -13.216 4.360 560 H MET 83 H MET 83 4.210 -10.312 5.819 561 HA MET 83 HA MET 83 3.422 -7.967 4.786 562 HB2 MET 83 1HB MET 83 2.624 -9.487 6.865 563 HB3 MET 83 2HB MET 83 3.499 -8.295 7.806 564 HG2 MET 83 1HG MET 83 1.194 -7.740 5.878 565 HG3 MET 83 2HG MET 83 1.137 -7.624 7.625 566 HE1 MET 83 1HE MET 83 1.109 -4.327 5.295 567 HE2 MET 83 2HE MET 83 2.324 -5.231 4.359 568 HE3 MET 83 3HE MET 83 0.818 -6.030 4.869 569 H GLU 84 H GLU 84 5.656 -8.288 7.648 570 HA GLU 84 HA GLU 84 6.176 -5.678 8.023 571 HB2 GLU 84 1HB GLU 84 7.051 -7.889 9.205 572 HB3 GLU 84 2HB GLU 84 8.453 -7.661 8.177 573 HG2 GLU 84 1HG GLU 84 7.965 -5.088 9.217 574 HG3 GLU 84 2HG GLU 84 7.626 -6.151 10.568 575 H GLU 85 H GLU 85 8.065 -7.925 5.872 576 HA GLU 85 HA GLU 85 9.934 -6.303 4.947 577 HB2 GLU 85 1HB GLU 85 8.355 -8.529 3.763 578 HB3 GLU 85 2HB GLU 85 9.183 -7.524 2.591 579 HG2 GLU 85 1HG GLU 85 10.908 -8.138 4.895 580 HG3 GLU 85 2HG GLU 85 10.324 -9.598 4.123 581 H ALA 86 H ALA 86 6.584 -6.494 3.539 582 HA ALA 86 HA ALA 86 6.838 -4.581 1.612 583 HB1 ALA 86 1HB ALA 86 4.520 -5.361 3.412 584 HB2 ALA 86 2HB ALA 86 4.342 -4.232 2.047 585 HB3 ALA 86 3HB ALA 86 4.859 -5.910 1.754 586 H ASN 87 H ASN 87 6.000 -4.128 5.110 587 HA ASN 87 HA ASN 87 5.687 -1.389 4.926 588 HB2 ASN 87 1HB ASN 87 6.249 -3.365 7.142 589 HB3 ASN 87 2HB ASN 87 6.474 -1.666 7.510 590 HD21 ASN 87 1HD2 ASN 87 4.308 -4.194 7.326 591 HD22 ASN 87 2HD2 ASN 87 2.807 -3.332 7.401 592 H GLN 88 H GLN 88 8.514 -3.539 5.557 593 HA GLN 88 HA GLN 88 10.272 -1.521 6.313 594 HB2 GLN 88 1HB GLN 88 10.743 -3.855 6.814 595 HB3 GLN 88 2HB GLN 88 10.734 -4.284 5.115 596 HG2 GLN 88 1HG GLN 88 12.982 -3.945 5.145 597 HG3 GLN 88 2HG GLN 88 12.628 -2.230 5.209 598 HE21 GLN 88 1HE2 GLN 88 13.442 -1.128 6.814 599 HE22 GLN 88 2HE2 GLN 88 13.965 -1.736 8.350 600 H LEU 89 H LEU 89 9.496 -3.034 3.127 601 HA LEU 89 HA LEU 89 11.473 -1.863 1.618 602 HB2 LEU 89 1HB LEU 89 8.660 -2.731 1.007 603 HB3 LEU 89 2HB LEU 89 9.688 -2.038 -0.231 604 HG LEU 89 HG LEU 89 10.582 -4.414 1.401 605 HD11 LEU 89 1HD1 LEU 89 9.720 -5.905 -0.307 606 HD12 LEU 89 2HD1 LEU 89 8.393 -4.957 0.406 607 HD13 LEU 89 3HD1 LEU 89 9.030 -4.528 -1.200 608 HD21 LEU 89 1HD2 LEU 89 12.262 -3.137 0.089 609 HD22 LEU 89 2HD2 LEU 89 12.080 -4.828 -0.434 610 HD23 LEU 89 3HD2 LEU 89 11.346 -3.518 -1.389 611 H LEU 90 H LEU 90 8.352 -0.526 2.788 612 HA LEU 90 HA LEU 90 8.497 1.831 1.258 613 HB2 LEU 90 1HB LEU 90 6.830 0.676 3.349 614 HB3 LEU 90 2HB LEU 90 7.022 2.408 3.536 615 HG LEU 90 HG LEU 90 5.855 0.905 1.191 616 HD11 LEU 90 1HD1 LEU 90 4.525 3.238 2.471 617 HD12 LEU 90 2HD1 LEU 90 3.836 1.737 1.806 618 HD13 LEU 90 3HD1 LEU 90 4.611 1.727 3.408 619 HD21 LEU 90 1HD2 LEU 90 7.259 3.467 1.171 620 HD22 LEU 90 2HD2 LEU 90 6.722 2.437 -0.177 621 HD23 LEU 90 3HD2 LEU 90 5.586 3.584 0.572 622 H ARG 91 H ARG 91 10.023 0.734 4.251 623 HA ARG 91 HA ARG 91 10.631 3.290 5.203 624 HB2 ARG 91 1HB ARG 91 10.976 0.596 6.054 625 HB3 ARG 91 2HB ARG 91 12.599 1.251 5.968 626 HG2 ARG 91 1HG ARG 91 11.635 3.305 7.270 627 HG3 ARG 91 2HG ARG 91 10.253 2.281 7.606 628 HD2 ARG 91 1HD ARG 91 11.472 0.833 8.982 629 HD3 ARG 91 2HD ARG 91 12.979 1.113 8.132 630 HE ARG 91 HE ARG 91 11.952 3.477 9.547 631 HH11 ARG 91 2HH2 ARG 91 13.971 0.604 9.768 632 HH12 ARG 91 1HH2 ARG 91 14.917 1.214 11.085 633 HH21 ARG 91 2HH1 ARG 91 13.199 4.282 11.284 634 HH22 ARG 91 1HH1 ARG 91 14.474 3.320 11.953 635 H ASP 92 H ASP 92 12.716 0.738 3.635 636 HA ASP 92 HA ASP 92 14.964 2.228 3.397 637 HB2 ASP 92 1HB ASP 92 14.325 -0.278 2.723 638 HB3 ASP 92 2HB ASP 92 14.115 0.415 1.128 639 H ALA 93 H ALA 93 11.949 2.237 1.488 640 HA ALA 93 HA ALA 93 12.947 3.609 -0.763 641 HB1 ALA 93 1HB ALA 93 10.698 3.677 -1.439 642 HB2 ALA 93 2HB ALA 93 10.757 2.236 -0.396 643 HB3 ALA 93 3HB ALA 93 10.096 3.764 0.234 644 H ALA 94 H ALA 94 11.460 4.633 2.359 645 HA ALA 94 HA ALA 94 11.173 7.323 1.763 646 HB1 ALA 94 1HB ALA 94 11.439 7.519 4.332 647 HB2 ALA 94 2HB ALA 94 10.127 6.488 3.712 648 HB3 ALA 94 3HB ALA 94 11.632 5.749 4.311 649 H LEU 95 H LEU 95 14.005 5.436 2.952 650 HA LEU 95 HA LEU 95 15.650 7.625 3.466 651 HB2 LEU 95 1HB LEU 95 16.475 4.865 2.560 652 HB3 LEU 95 2HB LEU 95 17.457 6.030 3.427 653 HG LEU 95 HG LEU 95 15.060 4.506 4.466 654 HD11 LEU 95 1HD1 LEU 95 16.602 3.031 5.079 655 HD12 LEU 95 2HD1 LEU 95 17.922 4.101 4.549 656 HD13 LEU 95 3HD1 LEU 95 17.254 4.258 6.191 657 HD21 LEU 95 1HD2 LEU 95 16.398 6.961 5.540 658 HD22 LEU 95 2HD2 LEU 95 14.677 6.507 5.526 659 HD23 LEU 95 3HD2 LEU 95 15.794 5.727 6.672 660 H ALA 96 H ALA 96 14.354 6.419 0.507 661 HA ALA 96 HA ALA 96 16.544 7.548 -1.053 662 HB1 ALA 96 1HB ALA 96 14.602 6.617 -2.806 663 HB2 ALA 96 2HB ALA 96 16.022 5.701 -2.246 664 HB3 ALA 96 3HB ALA 96 14.456 5.508 -1.421 665 H HIS 97 H HIS 97 13.716 8.550 0.502 666 HA HIS 97 HA HIS 97 12.542 10.403 0.415 667 HB2 HIS 97 1HB HIS 97 14.632 11.250 -1.606 668 HB3 HIS 97 2HB HIS 97 13.355 12.309 -1.042 669 HD1 HIS 97 1HD HIS 97 14.238 13.873 0.679 670 HD2 HIS 97 2HD HIS 97 15.965 10.063 0.996 671 HE1 HIS 97 1HE HIS 97 15.842 13.978 2.661 672 H LYS 98 H LYS 98 12.534 8.041 -1.777 673 HA LYS 98 HA LYS 98 10.139 9.035 -3.017 674 HB2 LYS 98 1HB LYS 98 11.998 9.895 -4.477 675 HB3 LYS 98 2HB LYS 98 12.459 8.235 -4.795 676 HG2 LYS 98 1HG LYS 98 10.216 7.755 -5.734 677 HG3 LYS 98 2HG LYS 98 9.675 9.373 -5.334 678 HD2 LYS 98 1HD LYS 98 10.284 9.784 -7.522 679 HD3 LYS 98 2HD LYS 98 11.853 10.052 -6.788 680 HE2 LYS 98 1HE LYS 98 12.070 7.385 -7.133 681 HE3 LYS 98 2HE LYS 98 10.880 7.684 -8.383 682 HZ1 LYS 98 1HZ LYS 98 13.536 8.904 -8.147 683 HZ2 LYS 98 2HZ LYS 98 12.986 7.935 -9.341 684 HZ3 LYS 98 3HZ LYS 98 12.404 9.454 -9.188 685 H VAL 99 H VAL 99 9.039 7.240 -4.269 686 HA VAL 99 HA VAL 99 10.040 4.596 -3.881 687 HB VAL 99 HB VAL 99 9.177 5.273 -1.614 688 HG11 VAL 99 1HG1 VAL 99 7.062 5.958 -1.247 689 HG12 VAL 99 2HG1 VAL 99 7.055 6.336 -2.987 690 HG13 VAL 99 3HG1 VAL 99 6.377 4.795 -2.408 691 HG21 VAL 99 1HG2 VAL 99 9.198 2.875 -2.813 692 HG22 VAL 99 2HG2 VAL 99 8.584 3.118 -1.160 693 HG23 VAL 99 3HG2 VAL 99 7.448 3.022 -2.527 694 H VAL 100 H VAL 100 8.297 2.965 -4.670 695 HA VAL 100 HA VAL 100 6.442 4.258 -6.519 696 HB VAL 100 HB VAL 100 8.541 2.208 -7.248 697 HG11 VAL 100 1HG1 VAL 100 7.060 3.142 -9.518 698 HG12 VAL 100 2HG1 VAL 100 7.238 1.481 -8.903 699 HG13 VAL 100 3HG1 VAL 100 5.916 2.514 -8.307 700 HG21 VAL 100 1HG2 VAL 100 9.681 4.163 -7.522 701 HG22 VAL 100 2HG2 VAL 100 8.815 4.155 -9.078 702 HG23 VAL 100 3HG2 VAL 100 8.200 5.131 -7.722 703 H LEU 101 H LEU 101 4.532 3.084 -6.856 704 HA LEU 101 HA LEU 101 4.398 0.499 -5.482 705 HB2 LEU 101 1HB LEU 101 2.244 2.601 -5.307 706 HB3 LEU 101 2HB LEU 101 2.317 1.064 -4.469 707 HG LEU 101 HG LEU 101 4.367 3.239 -4.021 708 HD11 LEU 101 1HD1 LEU 101 2.418 4.366 -3.421 709 HD12 LEU 101 2HD1 LEU 101 1.646 2.897 -2.777 710 HD13 LEU 101 3HD1 LEU 101 2.984 3.662 -1.887 711 HD21 LEU 101 1HD2 LEU 101 4.703 0.752 -3.348 712 HD22 LEU 101 2HD2 LEU 101 5.068 2.037 -2.171 713 HD23 LEU 101 3HD2 LEU 101 3.544 1.126 -2.050 714 H GLU 102 H GLU 102 2.850 -0.990 -6.373 715 HA GLU 102 HA GLU 102 1.865 -0.132 -8.980 716 HB2 GLU 102 1HB GLU 102 3.830 -1.582 -9.296 717 HB3 GLU 102 2HB GLU 102 3.133 -2.810 -8.258 718 HG2 GLU 102 1HG GLU 102 1.914 -3.669 -9.970 719 HG3 GLU 102 2HG GLU 102 1.214 -2.103 -10.330 720 H VAL 103 H VAL 103 -0.337 -0.152 -8.972 721 HA VAL 103 HA VAL 103 -1.644 -2.040 -7.151 722 HB VAL 103 HB VAL 103 -2.973 0.277 -8.522 723 HG11 VAL 103 1HG1 VAL 103 -4.676 -0.646 -7.382 724 HG12 VAL 103 2HG1 VAL 103 -3.590 -1.618 -6.361 725 HG13 VAL 103 3HG1 VAL 103 -3.924 0.079 -5.942 726 HG21 VAL 103 1HG2 VAL 103 -0.862 0.407 -6.458 727 HG22 VAL 103 2HG2 VAL 103 -1.460 1.658 -7.575 728 HG23 VAL 103 3HG2 VAL 103 -2.347 1.310 -6.071 729 H GLU 104 H GLU 104 -3.397 -3.352 -7.914 730 HA GLU 104 HA GLU 104 -3.405 -3.578 -10.823 731 HB2 GLU 104 1HB GLU 104 -2.266 -5.503 -9.808 732 HB3 GLU 104 2HB GLU 104 -3.617 -5.783 -8.728 733 HG2 GLU 104 1HG GLU 104 -4.957 -5.841 -11.098 734 HG3 GLU 104 2HG GLU 104 -3.381 -6.354 -11.667 735 H PHE 105 H PHE 105 -5.375 -3.279 -11.789 736 HA PHE 105 HA PHE 105 -7.766 -4.026 -10.369 737 HB2 PHE 105 1HB PHE 105 -8.661 -1.624 -10.819 738 HB3 PHE 105 2HB PHE 105 -7.490 -1.758 -9.522 739 HD1 PHE 105 2HD PHE 105 -7.466 -1.257 -13.230 740 HD2 PHE 105 1HD PHE 105 -5.851 -0.149 -9.465 741 HE1 PHE 105 2HE PHE 105 -6.023 0.462 -14.354 742 HE2 PHE 105 1HE PHE 105 -4.409 1.570 -10.589 743 HZ PHE 105 HZ PHE 105 -4.512 1.855 -13.020 744 H ASP 106 H ASP 106 -9.733 -3.016 -11.909 745 HA ASP 106 HA ASP 106 -8.903 -3.782 -14.598 746 HB2 ASP 106 1HB ASP 106 -11.554 -4.210 -13.145 747 HB3 ASP 106 2HB ASP 106 -11.348 -4.496 -14.862 748 H SER 107 H SER 107 -9.370 -1.125 -12.868 749 HA SER 107 HA SER 107 -10.072 0.900 -13.199 750 HB2 SER 107 1HB SER 107 -9.099 1.283 -15.239 751 HB3 SER 107 2HB SER 107 -9.788 -0.158 -15.959 752 HG SER 107 HG SER 107 -11.519 0.950 -16.648 753 H GLY 108 H GLY 108 -11.972 0.566 -11.861 754 HA2 GLY 108 1HA GLY 108 -14.418 1.200 -13.130 755 HA3 GLY 108 2HA GLY 108 -14.390 -0.506 -12.728 756 HA PRO 109 HA PRO 109 -15.319 2.107 -8.987 757 HB2 PRO 109 1HB PRO 109 -18.051 2.127 -8.951 758 HB3 PRO 109 2HB PRO 109 -17.091 3.456 -9.569 759 HG2 PRO 109 1HG PRO 109 -18.632 1.429 -11.070 760 HG3 PRO 109 2HG PRO 109 -18.031 2.980 -11.621 761 HD2 PRO 109 1HD PRO 109 -16.917 0.403 -12.205 762 HD3 PRO 109 2HD PRO 109 -16.252 1.960 -12.658 763 H SER 110 H SER 110 -15.238 1.164 -7.028 764 HA SER 110 HA SER 110 -16.663 -1.367 -6.902 765 HB2 SER 110 1HB SER 110 -14.739 -2.398 -5.720 766 HB3 SER 110 2HB SER 110 -14.311 -1.915 -7.350 767 HG SER 110 HG SER 110 -13.872 -0.043 -5.235 768 H SER 111 H SER 111 -16.749 -2.139 -4.471 769 HA SER 111 HA SER 111 -16.577 0.064 -2.634 770 HB2 SER 111 1HB SER 111 -19.212 -1.423 -3.011 771 HB3 SER 111 2HB SER 111 -18.905 -0.114 -1.888 772 HG SER 111 HG SER 111 -19.855 0.901 -3.612 773 H GLY 112 H GLY 112 -16.902 -0.710 -0.326 774 HA2 GLY 112 1HA GLY 112 -15.625 -3.246 0.037 775 HA3 GLY 112 2HA GLY 112 -16.167 -2.130 1.275 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -1.050 -21.742 -45.480 2 HA2 GLY 1 1HA GLY 1 -2.777 -19.591 -44.518 3 HA3 GLY 1 2HA GLY 1 -2.732 -21.062 -43.567 4 H SER 2 H SER 2 -1.816 -18.453 -42.673 5 HA SER 2 HA SER 2 -0.173 -17.560 -41.572 6 HB2 SER 2 1HB SER 2 0.057 -19.951 -40.688 7 HB3 SER 2 2HB SER 2 1.357 -20.181 -41.840 8 HG SER 2 HG SER 2 1.505 -19.082 -39.387 9 H SER 3 H SER 3 1.255 -16.030 -42.333 10 HA SER 3 HA SER 3 3.071 -16.872 -44.434 11 HB2 SER 3 1HB SER 3 2.618 -14.676 -45.623 12 HB3 SER 3 2HB SER 3 1.300 -15.829 -45.683 13 HG SER 3 HG SER 3 1.468 -13.726 -43.703 14 H GLY 4 H GLY 4 4.932 -15.286 -44.697 15 HA2 GLY 4 1HA GLY 4 6.108 -14.665 -42.255 16 HA3 GLY 4 2HA GLY 4 6.603 -14.064 -43.825 17 H SER 5 H SER 5 5.030 -13.316 -40.808 18 HA SER 5 HA SER 5 4.961 -10.568 -41.580 19 HB2 SER 5 1HB SER 5 2.597 -10.204 -40.958 20 HB3 SER 5 2HB SER 5 2.725 -11.300 -42.319 21 HG SER 5 HG SER 5 2.461 -13.096 -40.817 22 H SER 6 H SER 6 4.439 -9.155 -39.597 23 HA SER 6 HA SER 6 5.565 -10.495 -37.297 24 HB2 SER 6 1HB SER 6 5.203 -7.576 -38.062 25 HB3 SER 6 2HB SER 6 5.667 -8.042 -36.438 26 HG SER 6 HG SER 6 7.118 -8.351 -38.893 27 H GLY 7 H GLY 7 4.635 -9.827 -35.073 28 HA2 GLY 7 1HA GLY 7 1.706 -9.462 -35.253 29 HA3 GLY 7 2HA GLY 7 2.438 -10.689 -34.238 30 H GLY 8 H GLY 8 3.601 -10.092 -32.315 31 HA2 GLY 8 1HA GLY 8 4.369 -7.594 -31.509 32 HA3 GLY 8 2HA GLY 8 2.662 -7.663 -31.117 33 H GLY 9 H GLY 9 3.927 -7.392 -28.890 34 HA2 GLY 9 1HA GLY 9 4.918 -9.927 -27.849 35 HA3 GLY 9 2HA GLY 9 4.922 -8.366 -27.052 36 H GLN 10 H GLN 10 3.704 -8.474 -25.215 37 HA GLN 10 HA GLN 10 0.957 -9.072 -25.463 38 HB2 GLN 10 1HB GLN 10 1.152 -10.883 -23.554 39 HB3 GLN 10 2HB GLN 10 1.366 -11.355 -25.228 40 HG2 GLN 10 1HG GLN 10 3.878 -11.020 -24.922 41 HG3 GLN 10 2HG GLN 10 3.583 -10.752 -23.216 42 HE21 GLN 10 1HE2 GLN 10 4.529 -12.966 -25.381 43 HE22 GLN 10 2HE2 GLN 10 4.066 -14.446 -24.610 44 H ILE 11 H ILE 11 -0.225 -8.598 -23.403 45 HA ILE 11 HA ILE 11 1.452 -7.031 -21.569 46 HB ILE 11 HB ILE 11 -0.473 -5.498 -21.330 47 HG12 ILE 11 1HG1 ILE 11 -1.834 -5.952 -23.776 48 HG13 ILE 11 2HG1 ILE 11 -1.786 -7.493 -22.944 49 HG21 ILE 11 1HG2 ILE 11 0.312 -4.142 -22.960 50 HG22 ILE 11 2HG2 ILE 11 1.541 -5.421 -23.110 51 HG23 ILE 11 3HG2 ILE 11 0.156 -5.382 -24.228 52 HD11 ILE 11 1HD1 ILE 11 -3.629 -6.656 -21.860 53 HD12 ILE 11 2HD1 ILE 11 -2.409 -5.855 -20.841 54 HD13 ILE 11 3HD1 ILE 11 -3.173 -4.966 -22.181 55 H VAL 12 H VAL 12 0.586 -6.881 -19.341 56 HA VAL 12 HA VAL 12 -0.170 -9.411 -18.411 57 HB VAL 12 HB VAL 12 -0.219 -6.689 -17.093 58 HG11 VAL 12 1HG1 VAL 12 0.061 -9.248 -15.555 59 HG12 VAL 12 2HG1 VAL 12 -0.580 -7.669 -15.041 60 HG13 VAL 12 3HG1 VAL 12 -1.560 -8.733 -16.077 61 HG21 VAL 12 1HG2 VAL 12 1.956 -7.409 -16.131 62 HG22 VAL 12 2HG2 VAL 12 1.896 -8.868 -17.149 63 HG23 VAL 12 3HG2 VAL 12 1.997 -7.259 -17.904 64 H HIS 13 H HIS 13 -2.142 -10.301 -17.827 65 HA HIS 13 HA HIS 13 -4.379 -9.598 -19.166 66 HB2 HIS 13 1HB HIS 13 -3.973 -11.057 -16.559 67 HB3 HIS 13 2HB HIS 13 -5.580 -10.828 -17.220 68 HD1 HIS 13 1HD HIS 13 -3.743 -13.561 -16.935 69 HD2 HIS 13 2HD HIS 13 -4.790 -11.473 -20.419 70 HE1 HIS 13 1HE HIS 13 -3.569 -15.236 -18.852 71 H THR 14 H THR 14 -3.645 -8.739 -15.707 72 HA THR 14 HA THR 14 -5.825 -6.828 -15.738 73 HB THR 14 HB THR 14 -3.789 -7.344 -13.525 74 HG1 THR 14 1HG THR 14 -4.879 -9.288 -13.215 75 HG21 THR 14 1HG2 THR 14 -6.751 -6.580 -13.643 76 HG22 THR 14 2HG2 THR 14 -5.937 -7.102 -12.148 77 HG23 THR 14 3HG2 THR 14 -5.419 -5.610 -12.968 78 H GLU 15 H GLU 15 -5.294 -4.610 -14.637 79 HA GLU 15 HA GLU 15 -3.138 -3.533 -16.253 80 HB2 GLU 15 1HB GLU 15 -5.602 -2.292 -14.977 81 HB3 GLU 15 2HB GLU 15 -4.307 -1.302 -15.621 82 HG2 GLU 15 1HG GLU 15 -6.079 -1.639 -17.320 83 HG3 GLU 15 2HG GLU 15 -4.568 -2.350 -17.852 84 H THR 16 H THR 16 -1.673 -1.889 -15.307 85 HA THR 16 HA THR 16 -1.550 -1.950 -12.381 86 HB THR 16 HB THR 16 1.040 -2.261 -12.822 87 HG1 THR 16 1HG THR 16 -0.324 -3.393 -15.165 88 HG21 THR 16 1HG2 THR 16 -0.003 -4.849 -13.625 89 HG22 THR 16 2HG2 THR 16 0.650 -4.370 -12.040 90 HG23 THR 16 3HG2 THR 16 -1.081 -4.153 -12.392 91 H THR 17 H THR 17 -0.791 -0.086 -11.418 92 HA THR 17 HA THR 17 -0.093 2.071 -13.301 93 HB THR 17 HB THR 17 -2.484 1.952 -12.072 94 HG1 THR 17 1HG THR 17 -2.283 4.325 -12.182 95 HG21 THR 17 1HG2 THR 17 -0.682 3.400 -10.061 96 HG22 THR 17 2HG2 THR 17 -2.457 3.282 -9.996 97 HG23 THR 17 3HG2 THR 17 -1.458 1.829 -9.751 98 H GLU 18 H GLU 18 1.799 3.063 -12.959 99 HA GLU 18 HA GLU 18 3.118 2.387 -10.458 100 HB2 GLU 18 1HB GLU 18 4.247 1.742 -12.604 101 HB3 GLU 18 2HB GLU 18 4.315 3.432 -13.062 102 HG2 GLU 18 1HG GLU 18 5.818 3.976 -11.263 103 HG3 GLU 18 2HG GLU 18 5.497 2.469 -10.429 104 H VAL 19 H VAL 19 3.368 3.948 -8.915 105 HA VAL 19 HA VAL 19 3.186 6.736 -9.826 106 HB VAL 19 HB VAL 19 2.024 5.438 -7.355 107 HG11 VAL 19 1HG1 VAL 19 1.780 8.362 -8.089 108 HG12 VAL 19 2HG1 VAL 19 1.381 7.560 -6.551 109 HG13 VAL 19 3HG1 VAL 19 3.082 7.754 -7.037 110 HG21 VAL 19 1HG2 VAL 19 0.060 6.909 -8.692 111 HG22 VAL 19 2HG2 VAL 19 0.965 6.091 -9.989 112 HG23 VAL 19 3HG2 VAL 19 0.241 5.138 -8.671 113 H VAL 20 H VAL 20 4.799 8.098 -9.134 114 HA VAL 20 HA VAL 20 6.853 6.837 -7.475 115 HB VAL 20 HB VAL 20 6.902 9.174 -9.391 116 HG11 VAL 20 1HG1 VAL 20 8.972 9.777 -8.706 117 HG12 VAL 20 2HG1 VAL 20 8.476 9.014 -7.177 118 HG13 VAL 20 3HG1 VAL 20 9.458 8.103 -8.348 119 HG21 VAL 20 1HG2 VAL 20 8.793 7.269 -10.152 120 HG22 VAL 20 2HG2 VAL 20 7.378 6.309 -9.658 121 HG23 VAL 20 3HG2 VAL 20 7.209 7.562 -10.912 122 H LEU 21 H LEU 21 6.215 7.164 -5.356 123 HA LEU 21 HA LEU 21 5.258 9.801 -4.619 124 HB2 LEU 21 1HB LEU 21 4.757 7.175 -3.766 125 HB3 LEU 21 2HB LEU 21 5.612 7.937 -2.440 126 HG LEU 21 HG LEU 21 3.907 9.854 -2.659 127 HD11 LEU 21 1HD1 LEU 21 1.882 8.021 -3.713 128 HD12 LEU 21 2HD1 LEU 21 2.181 9.739 -4.071 129 HD13 LEU 21 3HD1 LEU 21 3.116 8.479 -4.912 130 HD21 LEU 21 1HD2 LEU 21 3.992 8.196 -0.818 131 HD22 LEU 21 2HD2 LEU 21 2.342 8.750 -1.193 132 HD23 LEU 21 3HD2 LEU 21 2.890 7.150 -1.746 133 H CYS 22 H CYS 22 6.294 11.137 -3.035 134 HA CYS 22 HA CYS 22 9.066 10.389 -2.496 135 HB2 CYS 22 1HB CYS 22 9.373 13.049 -2.790 136 HB3 CYS 22 2HB CYS 22 9.654 11.898 -4.081 137 HG CYS 22 HG CYS 22 6.778 13.379 -3.359 138 H GLY 23 H GLY 23 9.054 10.156 -0.279 139 HA2 GLY 23 1HA GLY 23 7.725 12.285 1.285 140 HA3 GLY 23 2HA GLY 23 7.546 10.589 1.686 141 H ASP 24 H ASP 24 8.506 11.872 3.754 142 HA ASP 24 HA ASP 24 11.378 12.011 3.548 143 HB2 ASP 24 1HB ASP 24 9.728 12.444 6.064 144 HB3 ASP 24 2HB ASP 24 11.312 13.096 5.692 145 HA PRO 25 HA PRO 25 11.884 8.195 5.647 146 HB2 PRO 25 1HB PRO 25 14.204 8.554 7.047 147 HB3 PRO 25 2HB PRO 25 14.165 8.198 5.332 148 HG2 PRO 25 1HG PRO 25 14.728 10.768 6.680 149 HG3 PRO 25 2HG PRO 25 15.093 10.289 5.034 150 HD2 PRO 25 1HD PRO 25 12.966 12.014 5.888 151 HD3 PRO 25 2HD PRO 25 13.261 11.441 4.258 152 H LEU 26 H LEU 26 11.380 11.019 7.414 153 HA LEU 26 HA LEU 26 11.149 9.546 9.907 154 HB2 LEU 26 1HB LEU 26 11.487 12.338 9.087 155 HB3 LEU 26 2HB LEU 26 10.320 12.126 10.377 156 HG LEU 26 HG LEU 26 12.839 10.645 10.778 157 HD11 LEU 26 1HD1 LEU 26 14.257 12.490 11.233 158 HD12 LEU 26 2HD1 LEU 26 13.586 12.753 9.605 159 HD13 LEU 26 3HD1 LEU 26 12.936 13.660 10.993 160 HD21 LEU 26 1HD2 LEU 26 12.586 11.881 13.031 161 HD22 LEU 26 2HD2 LEU 26 10.985 12.360 12.417 162 HD23 LEU 26 3HD2 LEU 26 11.389 10.636 12.599 163 H SER 27 H SER 27 9.103 11.585 7.708 164 HA SER 27 HA SER 27 6.766 10.839 9.119 165 HB2 SER 27 1HB SER 27 5.597 12.221 7.548 166 HB3 SER 27 2HB SER 27 7.129 13.017 7.848 167 HG SER 27 HG SER 27 6.506 11.326 5.577 168 H GLY 28 H GLY 28 8.595 9.679 6.302 169 HA2 GLY 28 1HA GLY 28 8.450 7.567 5.402 170 HA3 GLY 28 2HA GLY 28 6.901 7.317 6.182 171 H PHE 29 H PHE 29 5.243 7.110 4.751 172 HA PHE 29 HA PHE 29 5.272 8.906 2.435 173 HB2 PHE 29 1HB PHE 29 4.776 5.896 2.709 174 HB3 PHE 29 2HB PHE 29 4.097 6.775 1.353 175 HD1 PHE 29 2HD PHE 29 6.033 8.466 0.294 176 HD2 PHE 29 1HD PHE 29 6.674 4.719 2.181 177 HE1 PHE 29 2HE PHE 29 8.193 8.205 -0.957 178 HE2 PHE 29 1HE PHE 29 8.833 4.458 0.929 179 HZ PHE 29 HZ PHE 29 9.567 6.204 -0.625 180 H GLY 30 H GLY 30 3.854 8.480 5.277 181 HA2 GLY 30 1HA GLY 30 1.781 8.697 6.137 182 HA3 GLY 30 2HA GLY 30 1.528 9.803 4.801 183 H LEU 31 H LEU 31 1.788 6.195 5.244 184 HA LEU 31 HA LEU 31 -0.881 5.856 4.271 185 HB2 LEU 31 1HB LEU 31 -0.546 5.052 2.199 186 HB3 LEU 31 2HB LEU 31 0.786 6.189 2.258 187 HG LEU 31 HG LEU 31 1.898 3.841 3.260 188 HD11 LEU 31 1HD1 LEU 31 1.271 2.022 1.945 189 HD12 LEU 31 2HD1 LEU 31 -0.280 2.767 2.400 190 HD13 LEU 31 3HD1 LEU 31 0.395 3.039 0.776 191 HD21 LEU 31 1HD2 LEU 31 2.399 5.700 1.269 192 HD22 LEU 31 2HD2 LEU 31 3.436 4.327 1.723 193 HD23 LEU 31 3HD2 LEU 31 2.274 4.160 0.385 194 H GLN 32 H GLN 32 -1.736 3.874 4.931 195 HA GLN 32 HA GLN 32 0.170 2.246 6.423 196 HB2 GLN 32 1HB GLN 32 -2.530 3.283 7.067 197 HB3 GLN 32 2HB GLN 32 -2.336 1.577 7.418 198 HG2 GLN 32 1HG GLN 32 0.043 3.008 8.288 199 HG3 GLN 32 2HG GLN 32 -1.377 3.798 8.946 200 HE21 GLN 32 1HE2 GLN 32 0.609 2.374 10.392 201 HE22 GLN 32 2HE2 GLN 32 -0.134 1.024 11.183 202 H LEU 33 H LEU 33 0.411 0.118 5.822 203 HA LEU 33 HA LEU 33 -1.408 -0.825 3.732 204 HB2 LEU 33 1HB LEU 33 1.405 -1.608 4.490 205 HB3 LEU 33 2HB LEU 33 0.432 -2.499 3.337 206 HG LEU 33 HG LEU 33 1.338 0.381 3.076 207 HD11 LEU 33 1HD1 LEU 33 2.526 -0.619 1.037 208 HD12 LEU 33 2HD1 LEU 33 3.205 -0.965 2.646 209 HD13 LEU 33 3HD1 LEU 33 2.239 -2.200 1.803 210 HD21 LEU 33 1HD2 LEU 33 -0.454 0.651 1.775 211 HD22 LEU 33 2HD2 LEU 33 0.388 -0.397 0.608 212 HD23 LEU 33 3HD2 LEU 33 -0.803 -1.094 1.734 213 H GLN 34 H GLN 34 -2.761 -2.534 4.070 214 HA GLN 34 HA GLN 34 -2.565 -3.729 6.717 215 HB2 GLN 34 1HB GLN 34 -4.750 -3.127 6.782 216 HB3 GLN 34 2HB GLN 34 -4.791 -2.788 5.064 217 HG2 GLN 34 1HG GLN 34 -5.273 -5.077 4.507 218 HG3 GLN 34 2HG GLN 34 -4.812 -5.649 6.097 219 HE21 GLN 34 1HE2 GLN 34 -7.309 -4.565 4.101 220 HE22 GLN 34 2HE2 GLN 34 -8.592 -4.453 5.260 221 H GLY 35 H GLY 35 -1.932 -5.840 6.891 222 HA2 GLY 35 1HA GLY 35 -2.430 -7.643 4.628 223 HA3 GLY 35 2HA GLY 35 -0.780 -7.416 5.173 224 H GLY 36 H GLY 36 -1.089 -9.866 5.537 225 HA2 GLY 36 1HA GLY 36 -2.702 -11.129 7.256 226 HA3 GLY 36 2HA GLY 36 -0.984 -11.460 7.149 227 H ILE 37 H ILE 37 -2.865 -11.525 9.512 228 HA ILE 37 HA ILE 37 -2.426 -9.316 11.153 229 HB ILE 37 HB ILE 37 -3.028 -12.208 11.767 230 HG12 ILE 37 1HG1 ILE 37 -4.876 -9.810 11.800 231 HG13 ILE 37 2HG1 ILE 37 -4.666 -10.837 10.395 232 HG21 ILE 37 1HG2 ILE 37 -1.951 -11.115 13.698 233 HG22 ILE 37 2HG2 ILE 37 -3.184 -9.834 13.644 234 HG23 ILE 37 3HG2 ILE 37 -3.659 -11.511 14.001 235 HD11 ILE 37 1HD1 ILE 37 -5.133 -12.798 12.156 236 HD12 ILE 37 2HD1 ILE 37 -5.930 -11.483 13.052 237 HD13 ILE 37 3HD1 ILE 37 -6.474 -11.897 11.409 238 H PHE 38 H PHE 38 -0.584 -12.393 10.710 239 HA PHE 38 HA PHE 38 1.383 -11.521 12.626 240 HB2 PHE 38 1HB PHE 38 1.359 -13.846 10.612 241 HB3 PHE 38 2HB PHE 38 2.359 -13.748 12.047 242 HD1 PHE 38 2HD PHE 38 1.279 -13.903 14.305 243 HD2 PHE 38 1HD PHE 38 -0.862 -14.672 10.723 244 HE1 PHE 38 2HE PHE 38 -0.489 -15.106 15.620 245 HE2 PHE 38 1HE PHE 38 -2.630 -15.875 12.038 246 HZ PHE 38 HZ PHE 38 -2.422 -16.077 14.470 247 H ALA 39 H ALA 39 2.869 -10.003 12.054 248 HA ALA 39 HA ALA 39 3.406 -9.030 9.613 249 HB1 ALA 39 1HB ALA 39 5.731 -8.538 10.594 250 HB2 ALA 39 2HB ALA 39 4.329 -7.981 11.538 251 HB3 ALA 39 3HB ALA 39 5.199 -9.456 12.024 252 H THR 40 H THR 40 4.781 -12.012 11.091 253 HA THR 40 HA THR 40 6.579 -12.496 8.940 254 HB THR 40 HB THR 40 7.035 -14.522 10.175 255 HG1 THR 40 1HG THR 40 4.374 -13.914 11.256 256 HG21 THR 40 1HG2 THR 40 6.045 -13.320 12.638 257 HG22 THR 40 2HG2 THR 40 7.729 -13.473 12.082 258 HG23 THR 40 3HG2 THR 40 6.761 -12.057 11.608 259 H GLU 41 H GLU 41 6.158 -15.194 8.301 260 HA GLU 41 HA GLU 41 5.128 -16.462 6.872 261 HB2 GLU 41 1HB GLU 41 2.586 -14.984 7.687 262 HB3 GLU 41 2HB GLU 41 2.630 -16.485 6.784 263 HG2 GLU 41 1HG GLU 41 4.286 -16.770 9.152 264 HG3 GLU 41 2HG GLU 41 2.723 -16.139 9.630 265 H THR 42 H THR 42 5.213 -16.388 4.654 266 HA THR 42 HA THR 42 5.569 -14.019 3.294 267 HB THR 42 HB THR 42 4.555 -16.720 2.259 268 HG1 THR 42 1HG THR 42 6.512 -17.079 3.337 269 HG21 THR 42 1HG2 THR 42 5.642 -14.241 0.970 270 HG22 THR 42 2HG2 THR 42 6.393 -15.770 0.454 271 HG23 THR 42 3HG2 THR 42 4.639 -15.532 0.267 272 H LEU 43 H LEU 43 4.285 -12.911 1.673 273 HA LEU 43 HA LEU 43 1.540 -12.694 2.604 274 HB2 LEU 43 1HB LEU 43 3.431 -10.964 1.068 275 HB3 LEU 43 2HB LEU 43 1.708 -10.720 0.866 276 HG LEU 43 HG LEU 43 3.325 -10.461 3.409 277 HD11 LEU 43 1HD1 LEU 43 1.937 -8.166 3.186 278 HD12 LEU 43 2HD1 LEU 43 3.553 -8.414 2.482 279 HD13 LEU 43 3HD1 LEU 43 2.104 -8.585 1.464 280 HD21 LEU 43 1HD2 LEU 43 0.339 -10.643 3.044 281 HD22 LEU 43 2HD2 LEU 43 1.387 -11.491 4.208 282 HD23 LEU 43 3HD2 LEU 43 1.064 -9.751 4.403 283 H SER 44 H SER 44 0.141 -14.125 1.714 284 HA SER 44 HA SER 44 0.650 -15.266 -0.803 285 HB2 SER 44 1HB SER 44 -0.966 -15.853 1.398 286 HB3 SER 44 2HB SER 44 -2.136 -15.429 0.164 287 HG SER 44 HG SER 44 -0.678 -17.725 0.419 288 H SER 45 H SER 45 -1.008 -12.384 0.350 289 HA SER 45 HA SER 45 -1.801 -11.871 -2.398 290 HB2 SER 45 1HB SER 45 -3.996 -11.597 -1.897 291 HB3 SER 45 2HB SER 45 -3.646 -12.455 -0.410 292 HG SER 45 HG SER 45 -4.724 -10.225 -0.311 293 HA PRO 46 HA PRO 46 -0.112 -7.936 -1.616 294 HB2 PRO 46 1HB PRO 46 -1.636 -6.237 -3.119 295 HB3 PRO 46 2HB PRO 46 -0.379 -7.252 -3.798 296 HG2 PRO 46 1HG PRO 46 -3.313 -7.587 -3.942 297 HG3 PRO 46 2HG PRO 46 -2.074 -8.320 -4.942 298 HD2 PRO 46 1HD PRO 46 -3.529 -9.579 -2.815 299 HD3 PRO 46 2HD PRO 46 -2.211 -10.273 -3.737 300 HA PRO 47 HA PRO 47 -2.101 -6.063 1.638 301 HB2 PRO 47 1HB PRO 47 -0.381 -4.005 2.160 302 HB3 PRO 47 2HB PRO 47 -0.121 -5.639 2.735 303 HG2 PRO 47 1HG PRO 47 1.235 -4.214 0.529 304 HG3 PRO 47 2HG PRO 47 1.749 -5.653 1.386 305 HD2 PRO 47 1HD PRO 47 0.595 -5.539 -1.237 306 HD3 PRO 47 2HD PRO 47 1.002 -6.984 -0.334 307 H LEU 48 H LEU 48 -3.665 -4.564 2.133 308 HA LEU 48 HA LEU 48 -4.066 -2.676 -0.076 309 HB2 LEU 48 1HB LEU 48 -6.193 -3.421 1.891 310 HB3 LEU 48 2HB LEU 48 -6.347 -2.839 0.246 311 HG LEU 48 HG LEU 48 -4.999 -5.448 0.453 312 HD11 LEU 48 1HD1 LEU 48 -7.443 -6.467 0.725 313 HD12 LEU 48 2HD1 LEU 48 -6.371 -6.176 2.115 314 HD13 LEU 48 3HD1 LEU 48 -7.658 -5.010 1.725 315 HD21 LEU 48 1HD2 LEU 48 -7.374 -5.458 -1.141 316 HD22 LEU 48 2HD2 LEU 48 -6.488 -3.943 -1.436 317 HD23 LEU 48 3HD2 LEU 48 -5.671 -5.509 -1.657 318 H VAL 49 H VAL 49 -4.979 -0.518 0.534 319 HA VAL 49 HA VAL 49 -3.402 0.585 2.621 320 HB VAL 49 HB VAL 49 -5.490 1.635 0.722 321 HG11 VAL 49 1HG1 VAL 49 -3.913 3.329 2.683 322 HG12 VAL 49 2HG1 VAL 49 -5.167 3.866 1.539 323 HG13 VAL 49 3HG1 VAL 49 -5.608 2.844 2.928 324 HG21 VAL 49 1HG2 VAL 49 -3.734 2.504 -0.503 325 HG22 VAL 49 2HG2 VAL 49 -2.642 2.573 0.901 326 HG23 VAL 49 3HG2 VAL 49 -3.002 1.010 0.129 327 H CYS 50 H CYS 50 -3.988 1.270 4.679 328 HA CYS 50 HA CYS 50 -6.659 0.398 5.499 329 HB2 CYS 50 1HB CYS 50 -4.904 0.888 7.734 330 HB3 CYS 50 2HB CYS 50 -5.727 -0.589 7.269 331 HG CYS 50 HG CYS 50 -2.927 -0.568 7.555 332 H PHE 51 H PHE 51 -4.084 2.924 5.893 333 HA PHE 51 HA PHE 51 -6.196 4.898 6.188 334 HB2 PHE 51 1HB PHE 51 -5.648 4.367 8.505 335 HB3 PHE 51 2HB PHE 51 -3.945 4.187 8.137 336 HD1 PHE 51 2HD PHE 51 -6.657 6.663 8.536 337 HD2 PHE 51 1HD PHE 51 -2.471 6.043 8.225 338 HE1 PHE 51 2HE PHE 51 -6.253 9.037 9.243 339 HE2 PHE 51 1HE PHE 51 -2.067 8.418 8.932 340 HZ PHE 51 HZ PHE 51 -3.963 9.886 9.433 341 H ILE 52 H ILE 52 -5.399 7.136 5.851 342 HA ILE 52 HA ILE 52 -2.757 7.229 4.600 343 HB ILE 52 HB ILE 52 -5.398 7.864 3.355 344 HG12 ILE 52 1HG1 ILE 52 -2.834 6.562 2.396 345 HG13 ILE 52 2HG1 ILE 52 -4.345 5.761 2.780 346 HG21 ILE 52 1HG2 ILE 52 -4.682 9.930 2.840 347 HG22 ILE 52 2HG2 ILE 52 -2.982 9.551 3.204 348 HG23 ILE 52 3HG2 ILE 52 -3.681 9.083 1.636 349 HD11 ILE 52 1HD1 ILE 52 -4.915 6.016 0.600 350 HD12 ILE 52 2HD1 ILE 52 -5.088 7.757 0.933 351 HD13 ILE 52 3HD1 ILE 52 -3.547 7.118 0.312 352 H GLU 53 H GLU 53 -1.559 8.901 5.354 353 HA GLU 53 HA GLU 53 -2.625 10.524 7.352 354 HB2 GLU 53 1HB GLU 53 -0.024 10.163 5.978 355 HB3 GLU 53 2HB GLU 53 -0.287 11.796 6.559 356 HG2 GLU 53 1HG GLU 53 -1.181 10.196 8.691 357 HG3 GLU 53 2HG GLU 53 0.214 9.324 8.089 358 HA PRO 54 HA PRO 54 -4.180 13.833 5.010 359 HB2 PRO 54 1HB PRO 54 -4.245 15.813 6.893 360 HB3 PRO 54 2HB PRO 54 -5.471 14.567 6.770 361 HG2 PRO 54 1HG PRO 54 -3.292 14.834 8.749 362 HG3 PRO 54 2HG PRO 54 -4.752 13.870 8.847 363 HD2 PRO 54 1HD PRO 54 -2.105 12.922 8.277 364 HD3 PRO 54 2HD PRO 54 -3.582 11.979 8.261 365 H ASP 55 H ASP 55 -3.548 15.325 3.535 366 HA ASP 55 HA ASP 55 -2.208 16.688 2.512 367 HB2 ASP 55 1HB ASP 55 -0.775 17.101 5.177 368 HB3 ASP 55 2HB ASP 55 -0.661 18.151 3.779 369 H SER 56 H SER 56 -1.449 13.751 3.524 370 HA SER 56 HA SER 56 1.399 13.832 3.376 371 HB2 SER 56 1HB SER 56 1.296 11.732 4.257 372 HB3 SER 56 2HB SER 56 -0.383 12.127 4.569 373 HG SER 56 HG SER 56 -0.894 10.508 3.279 374 HA PRO 57 HA PRO 57 1.807 12.654 -0.811 375 HB2 PRO 57 1HB PRO 57 3.391 10.429 -0.910 376 HB3 PRO 57 2HB PRO 57 4.020 12.042 -0.641 377 HG2 PRO 57 1HG PRO 57 3.656 9.847 1.305 378 HG3 PRO 57 2HG PRO 57 4.652 11.282 1.443 379 HD2 PRO 57 1HD PRO 57 2.117 10.823 2.705 380 HD3 PRO 57 2HD PRO 57 3.058 12.301 2.750 381 H ALA 58 H ALA 58 1.092 9.696 0.966 382 HA ALA 58 HA ALA 58 0.021 8.303 -1.170 383 HB1 ALA 58 1HB ALA 58 -0.143 6.770 0.463 384 HB2 ALA 58 2HB ALA 58 0.322 8.019 1.643 385 HB3 ALA 58 3HB ALA 58 -1.397 7.732 1.282 386 H GLU 59 H GLU 59 -1.183 11.079 0.604 387 HA GLU 59 HA GLU 59 -3.870 10.594 -0.326 388 HB2 GLU 59 1HB GLU 59 -3.467 11.443 1.990 389 HB3 GLU 59 2HB GLU 59 -2.728 12.888 1.330 390 HG2 GLU 59 1HG GLU 59 -5.106 13.288 1.934 391 HG3 GLU 59 2HG GLU 59 -4.840 13.517 0.217 392 H ARG 60 H ARG 60 -1.123 12.891 -0.766 393 HA ARG 60 HA ARG 60 -2.334 14.726 -2.330 394 HB2 ARG 60 1HB ARG 60 0.475 13.617 -2.194 395 HB3 ARG 60 2HB ARG 60 0.096 14.722 -3.500 396 HG2 ARG 60 1HG ARG 60 -1.030 16.023 -1.315 397 HG3 ARG 60 2HG ARG 60 0.374 15.262 -0.592 398 HD2 ARG 60 1HD ARG 60 1.896 16.393 -2.054 399 HD3 ARG 60 2HD ARG 60 0.636 16.798 -3.203 400 HE ARG 60 HE ARG 60 -0.086 18.012 -0.744 401 HH11 ARG 60 2HH2 ARG 60 2.492 18.250 -3.127 402 HH12 ARG 60 1HH2 ARG 60 2.810 19.922 -2.804 403 HH21 ARG 60 2HH1 ARG 60 0.333 20.217 -0.317 404 HH22 ARG 60 1HH1 ARG 60 1.574 21.048 -1.195 405 H CYS 61 H CYS 61 -1.195 11.437 -3.160 406 HA CYS 61 HA CYS 61 -1.277 11.711 -5.932 407 HB2 CYS 61 1HB CYS 61 -0.368 9.789 -4.325 408 HB3 CYS 61 2HB CYS 61 -1.939 9.084 -4.652 409 HG CYS 61 HG CYS 61 -1.430 8.195 -6.779 410 H GLY 62 H GLY 62 -3.736 11.293 -3.412 411 HA2 GLY 62 1HA GLY 62 -5.983 11.417 -3.505 412 HA3 GLY 62 2HA GLY 62 -5.858 11.938 -5.173 413 H LEU 63 H LEU 63 -4.914 9.955 -6.667 414 HA LEU 63 HA LEU 63 -6.952 8.191 -6.980 415 HB2 LEU 63 1HB LEU 63 -5.766 7.741 -8.773 416 HB3 LEU 63 2HB LEU 63 -4.446 8.695 -8.127 417 HG LEU 63 HG LEU 63 -3.770 6.510 -6.882 418 HD11 LEU 63 1HD1 LEU 63 -4.874 4.952 -9.117 419 HD12 LEU 63 2HD1 LEU 63 -4.734 4.554 -7.388 420 HD13 LEU 63 3HD1 LEU 63 -6.092 5.549 -7.965 421 HD21 LEU 63 1HD2 LEU 63 -2.308 5.916 -8.653 422 HD22 LEU 63 2HD2 LEU 63 -3.420 6.557 -9.885 423 HD23 LEU 63 3HD2 LEU 63 -2.578 7.670 -8.780 424 H LEU 64 H LEU 64 -4.021 7.851 -4.917 425 HA LEU 64 HA LEU 64 -4.603 5.183 -4.181 426 HB2 LEU 64 1HB LEU 64 -2.402 6.598 -4.104 427 HB3 LEU 64 2HB LEU 64 -2.973 7.061 -2.513 428 HG LEU 64 HG LEU 64 -2.864 4.147 -3.205 429 HD11 LEU 64 1HD1 LEU 64 -0.428 5.685 -2.278 430 HD12 LEU 64 2HD1 LEU 64 -0.547 3.950 -2.659 431 HD13 LEU 64 3HD1 LEU 64 -0.699 5.159 -3.956 432 HD21 LEU 64 1HD2 LEU 64 -2.461 5.737 -0.659 433 HD22 LEU 64 2HD2 LEU 64 -3.871 4.746 -1.102 434 HD23 LEU 64 3HD2 LEU 64 -2.299 3.970 -0.794 435 H GLN 65 H GLN 65 -5.912 4.360 -2.605 436 HA GLN 65 HA GLN 65 -6.781 6.077 -0.497 437 HB2 GLN 65 1HB GLN 65 -9.246 5.585 -0.996 438 HB3 GLN 65 2HB GLN 65 -8.469 6.761 -2.037 439 HG2 GLN 65 1HG GLN 65 -7.950 4.729 -3.609 440 HG3 GLN 65 2HG GLN 65 -9.145 3.864 -2.664 441 HE21 GLN 65 1HE2 GLN 65 -10.552 3.662 -4.368 442 HE22 GLN 65 2HE2 GLN 65 -11.487 4.974 -5.005 443 H VAL 66 H VAL 66 -8.378 4.756 1.001 444 HA VAL 66 HA VAL 66 -7.073 2.375 1.665 445 HB VAL 66 HB VAL 66 -9.733 3.559 2.471 446 HG11 VAL 66 1HG1 VAL 66 -8.842 0.901 2.883 447 HG12 VAL 66 2HG1 VAL 66 -8.651 1.752 4.435 448 HG13 VAL 66 3HG1 VAL 66 -10.236 1.720 3.626 449 HG21 VAL 66 1HG2 VAL 66 -7.185 3.420 4.096 450 HG22 VAL 66 2HG2 VAL 66 -7.533 4.769 2.987 451 HG23 VAL 66 3HG2 VAL 66 -8.621 4.439 4.357 452 H GLY 67 H GLY 67 -7.371 0.267 1.067 453 HA2 GLY 67 1HA GLY 67 -8.894 -1.483 0.448 454 HA3 GLY 67 2HA GLY 67 -9.766 -0.341 -0.554 455 H ASP 68 H ASP 68 -7.200 0.963 -1.522 456 HA ASP 68 HA ASP 68 -6.933 -0.288 -3.873 457 HB2 ASP 68 1HB ASP 68 -4.885 1.267 -2.240 458 HB3 ASP 68 2HB ASP 68 -4.553 0.756 -3.883 459 H ARG 69 H ARG 69 -4.591 -1.264 -4.642 460 HA ARG 69 HA ARG 69 -3.870 -3.260 -2.648 461 HB2 ARG 69 1HB ARG 69 -4.242 -3.562 -5.664 462 HB3 ARG 69 2HB ARG 69 -3.373 -4.752 -4.715 463 HG2 ARG 69 1HG ARG 69 -5.366 -5.722 -4.237 464 HG3 ARG 69 2HG ARG 69 -5.749 -4.323 -3.254 465 HD2 ARG 69 1HD ARG 69 -7.566 -4.437 -4.779 466 HD3 ARG 69 2HD ARG 69 -6.540 -3.193 -5.467 467 HE ARG 69 HE ARG 69 -5.651 -5.613 -6.600 468 HH11 ARG 69 2HH2 ARG 69 -8.642 -3.759 -6.531 469 HH12 ARG 69 1HH2 ARG 69 -9.177 -4.324 -8.079 470 HH21 ARG 69 2HH1 ARG 69 -6.357 -6.358 -8.641 471 HH22 ARG 69 1HH1 ARG 69 -7.869 -5.812 -9.287 472 H VAL 70 H VAL 70 -1.594 -4.190 -3.022 473 HA VAL 70 HA VAL 70 0.127 -2.313 -4.461 474 HB VAL 70 HB VAL 70 0.370 -3.180 -1.579 475 HG11 VAL 70 1HG1 VAL 70 2.486 -1.407 -2.431 476 HG12 VAL 70 2HG1 VAL 70 2.593 -3.003 -1.650 477 HG13 VAL 70 3HG1 VAL 70 2.488 -2.885 -3.423 478 HG21 VAL 70 1HG2 VAL 70 -0.245 -0.635 -3.001 479 HG22 VAL 70 2HG2 VAL 70 -0.826 -1.247 -1.434 480 HG23 VAL 70 3HG2 VAL 70 0.796 -0.526 -1.562 481 H LEU 71 H LEU 71 0.568 -3.763 -6.123 482 HA LEU 71 HA LEU 71 1.048 -6.500 -5.638 483 HB2 LEU 71 1HB LEU 71 1.747 -4.768 -8.013 484 HB3 LEU 71 2HB LEU 71 1.795 -6.519 -7.980 485 HG LEU 71 HG LEU 71 -0.616 -4.710 -7.870 486 HD11 LEU 71 1HD1 LEU 71 -1.093 -6.740 -9.666 487 HD12 LEU 71 2HD1 LEU 71 -0.501 -5.109 -10.064 488 HD13 LEU 71 3HD1 LEU 71 0.652 -6.449 -9.856 489 HD21 LEU 71 1HD2 LEU 71 -1.223 -6.210 -6.202 490 HD22 LEU 71 2HD2 LEU 71 -1.906 -6.942 -7.674 491 HD23 LEU 71 3HD2 LEU 71 -0.393 -7.577 -6.984 492 H SER 72 H SER 72 3.300 -3.803 -6.585 493 HA SER 72 HA SER 72 5.320 -5.223 -5.043 494 HB2 SER 72 1HB SER 72 6.975 -4.321 -6.838 495 HB3 SER 72 2HB SER 72 6.016 -5.733 -7.234 496 HG SER 72 HG SER 72 5.282 -3.021 -7.942 497 H ILE 73 H ILE 73 7.190 -3.720 -4.405 498 HA ILE 73 HA ILE 73 6.332 -0.923 -4.326 499 HB ILE 73 HB ILE 73 7.096 -2.659 -1.987 500 HG12 ILE 73 1HG1 ILE 73 4.723 -0.814 -2.348 501 HG13 ILE 73 2HG1 ILE 73 4.690 -2.513 -2.775 502 HG21 ILE 73 1HG2 ILE 73 7.749 0.120 -2.430 503 HG22 ILE 73 2HG2 ILE 73 6.625 -0.054 -1.060 504 HG23 ILE 73 3HG2 ILE 73 8.165 -0.946 -1.067 505 HD11 ILE 73 1HD1 ILE 73 5.090 -3.204 -0.500 506 HD12 ILE 73 2HD1 ILE 73 5.527 -1.550 -0.008 507 HD13 ILE 73 3HD1 ILE 73 3.841 -1.937 -0.426 508 H ASN 74 H ASN 74 7.873 0.218 -5.359 509 HA ASN 74 HA ASN 74 9.837 1.027 -5.839 510 HB2 ASN 74 1HB ASN 74 10.371 -0.259 -3.331 511 HB3 ASN 74 2HB ASN 74 11.688 -0.716 -4.393 512 HD21 ASN 74 1HD2 ASN 74 12.011 0.878 -2.150 513 HD22 ASN 74 2HD2 ASN 74 12.494 2.476 -2.616 514 H GLY 75 H GLY 75 8.631 -1.892 -6.575 515 HA2 GLY 75 1HA GLY 75 9.200 -2.892 -8.662 516 HA3 GLY 75 2HA GLY 75 10.897 -2.616 -8.323 517 H ILE 76 H ILE 76 9.349 -3.510 -5.423 518 HA ILE 76 HA ILE 76 10.233 -6.281 -5.813 519 HB ILE 76 HB ILE 76 10.002 -4.652 -3.280 520 HG12 ILE 76 1HG1 ILE 76 11.847 -4.087 -5.007 521 HG13 ILE 76 2HG1 ILE 76 12.289 -4.301 -3.325 522 HG21 ILE 76 1HG2 ILE 76 10.736 -7.520 -3.813 523 HG22 ILE 76 2HG2 ILE 76 11.399 -6.649 -2.410 524 HG23 ILE 76 3HG2 ILE 76 9.638 -6.839 -2.589 525 HD11 ILE 76 1HD1 ILE 76 12.919 -6.681 -3.801 526 HD12 ILE 76 2HD1 ILE 76 12.524 -6.415 -5.516 527 HD13 ILE 76 3HD1 ILE 76 13.867 -5.521 -4.764 528 H ALA 77 H ALA 77 8.684 -7.806 -5.958 529 HA ALA 77 HA ALA 77 5.967 -7.122 -5.680 530 HB1 ALA 77 1HB ALA 77 7.492 -9.726 -6.013 531 HB2 ALA 77 2HB ALA 77 5.715 -9.662 -5.928 532 HB3 ALA 77 3HB ALA 77 6.575 -8.819 -7.239 533 H THR 78 H THR 78 4.684 -7.054 -3.900 534 HA THR 78 HA THR 78 5.790 -7.530 -1.343 535 HB THR 78 HB THR 78 3.357 -7.066 -0.677 536 HG1 THR 78 1HG THR 78 1.912 -6.960 -2.416 537 HG21 THR 78 1HG2 THR 78 3.856 -4.850 -0.916 538 HG22 THR 78 2HG2 THR 78 5.208 -5.299 -1.984 539 HG23 THR 78 3HG2 THR 78 3.601 -4.969 -2.674 540 H GLU 79 H GLU 79 4.058 -9.555 -3.659 541 HA GLU 79 HA GLU 79 3.202 -11.439 -1.775 542 HB2 GLU 79 1HB GLU 79 3.757 -11.787 -4.755 543 HB3 GLU 79 2HB GLU 79 2.827 -12.892 -3.761 544 HG2 GLU 79 1HG GLU 79 1.563 -10.498 -3.202 545 HG3 GLU 79 2HG GLU 79 2.061 -10.229 -4.861 546 H ASP 80 H ASP 80 6.316 -10.583 -2.893 547 HA ASP 80 HA ASP 80 7.314 -13.268 -2.413 548 HB2 ASP 80 1HB ASP 80 8.402 -10.816 -3.823 549 HB3 ASP 80 2HB ASP 80 9.521 -12.032 -3.238 550 H GLY 81 H GLY 81 6.346 -11.635 -0.204 551 HA2 GLY 81 1HA GLY 81 8.599 -11.689 1.517 552 HA3 GLY 81 2HA GLY 81 8.229 -10.038 1.060 553 H THR 82 H THR 82 7.994 -10.822 3.734 554 HA THR 82 HA THR 82 5.193 -11.433 4.210 555 HB THR 82 HB THR 82 5.998 -11.498 6.590 556 HG1 THR 82 1HG THR 82 8.015 -10.603 6.964 557 HG21 THR 82 1HG2 THR 82 8.262 -12.974 5.795 558 HG22 THR 82 2HG2 THR 82 6.623 -13.631 6.027 559 HG23 THR 82 3HG2 THR 82 7.155 -13.115 4.408 560 H MET 83 H MET 83 3.891 -10.092 5.706 561 HA MET 83 HA MET 83 3.368 -7.690 4.765 562 HB2 MET 83 1HB MET 83 2.465 -9.157 6.865 563 HB3 MET 83 2HB MET 83 3.358 -7.961 7.783 564 HG2 MET 83 1HG MET 83 1.115 -7.406 5.784 565 HG3 MET 83 2HG MET 83 1.028 -7.216 7.524 566 HE1 MET 83 1HE MET 83 0.718 -4.339 5.201 567 HE2 MET 83 2HE MET 83 2.285 -4.470 4.366 568 HE3 MET 83 3HE MET 83 1.205 -5.882 4.459 569 H GLU 84 H GLU 84 5.519 -8.168 7.668 570 HA GLU 84 HA GLU 84 6.228 -5.595 8.031 571 HB2 GLU 84 1HB GLU 84 6.970 -8.012 9.107 572 HB3 GLU 84 2HB GLU 84 8.461 -7.550 8.311 573 HG2 GLU 84 1HG GLU 84 6.970 -5.554 10.049 574 HG3 GLU 84 2HG GLU 84 8.028 -6.745 10.780 575 H GLU 85 H GLU 85 7.899 -8.018 5.899 576 HA GLU 85 HA GLU 85 9.934 -6.504 5.026 577 HB2 GLU 85 1HB GLU 85 8.402 -8.800 4.009 578 HB3 GLU 85 2HB GLU 85 9.086 -7.846 2.708 579 HG2 GLU 85 1HG GLU 85 10.825 -8.547 5.085 580 HG3 GLU 85 2HG GLU 85 10.516 -9.770 3.868 581 H ALA 86 H ALA 86 6.501 -6.380 3.968 582 HA ALA 86 HA ALA 86 6.911 -4.660 1.789 583 HB1 ALA 86 1HB ALA 86 4.846 -6.129 2.722 584 HB2 ALA 86 2HB ALA 86 4.366 -4.534 3.348 585 HB3 ALA 86 3HB ALA 86 4.628 -4.763 1.603 586 H ASN 87 H ASN 87 5.996 -4.063 5.249 587 HA ASN 87 HA ASN 87 5.782 -1.330 4.989 588 HB2 ASN 87 1HB ASN 87 6.282 -3.254 7.263 589 HB3 ASN 87 2HB ASN 87 6.556 -1.553 7.585 590 HD21 ASN 87 1HD2 ASN 87 4.313 -4.026 7.430 591 HD22 ASN 87 2HD2 ASN 87 2.839 -3.117 7.487 592 H GLN 88 H GLN 88 8.554 -3.540 5.539 593 HA GLN 88 HA GLN 88 10.359 -1.510 6.265 594 HB2 GLN 88 1HB GLN 88 10.766 -3.815 6.931 595 HB3 GLN 88 2HB GLN 88 10.756 -4.360 5.266 596 HG2 GLN 88 1HG GLN 88 13.012 -4.077 5.288 597 HG3 GLN 88 2HG GLN 88 12.700 -2.353 5.230 598 HE21 GLN 88 1HE2 GLN 88 13.447 -1.138 6.795 599 HE22 GLN 88 2HE2 GLN 88 13.977 -1.658 8.361 600 H LEU 89 H LEU 89 9.576 -3.240 3.190 601 HA LEU 89 HA LEU 89 11.589 -2.176 1.629 602 HB2 LEU 89 1HB LEU 89 8.816 -3.177 1.058 603 HB3 LEU 89 2HB LEU 89 9.814 -2.524 -0.225 604 HG LEU 89 HG LEU 89 10.731 -4.785 1.563 605 HD11 LEU 89 1HD1 LEU 89 10.113 -6.298 -0.320 606 HD12 LEU 89 2HD1 LEU 89 8.721 -5.566 0.513 607 HD13 LEU 89 3HD1 LEU 89 9.241 -4.938 -1.069 608 HD21 LEU 89 1HD2 LEU 89 11.678 -4.156 -1.228 609 HD22 LEU 89 2HD2 LEU 89 12.377 -3.357 0.201 610 HD23 LEU 89 3HD2 LEU 89 12.467 -5.127 0.039 611 H LEU 90 H LEU 90 8.662 -0.704 2.948 612 HA LEU 90 HA LEU 90 8.723 1.507 1.126 613 HB2 LEU 90 1HB LEU 90 7.027 0.505 3.295 614 HB3 LEU 90 2HB LEU 90 7.169 2.251 3.270 615 HG LEU 90 HG LEU 90 6.192 0.476 1.018 616 HD11 LEU 90 1HD1 LEU 90 4.495 0.697 2.659 617 HD12 LEU 90 2HD1 LEU 90 4.811 2.437 2.859 618 HD13 LEU 90 3HD1 LEU 90 4.087 1.833 1.350 619 HD21 LEU 90 1HD2 LEU 90 5.722 3.247 0.501 620 HD22 LEU 90 2HD2 LEU 90 7.456 3.014 0.827 621 HD23 LEU 90 3HD2 LEU 90 6.656 2.068 -0.451 622 H ARG 91 H ARG 91 10.031 0.670 4.334 623 HA ARG 91 HA ARG 91 10.611 3.220 5.168 624 HB2 ARG 91 1HB ARG 91 11.061 0.589 6.081 625 HB3 ARG 91 2HB ARG 91 12.678 1.241 5.903 626 HG2 ARG 91 1HG ARG 91 11.762 3.335 7.185 627 HG3 ARG 91 2HG ARG 91 10.409 2.311 7.621 628 HD2 ARG 91 1HD ARG 91 11.712 0.910 8.971 629 HD3 ARG 91 2HD ARG 91 13.173 1.187 8.044 630 HE ARG 91 HE ARG 91 12.170 2.826 10.261 631 HH11 ARG 91 2HH2 ARG 91 14.269 2.756 7.437 632 HH12 ARG 91 1HH2 ARG 91 15.272 4.054 7.992 633 HH21 ARG 91 2HH1 ARG 91 13.493 4.539 10.994 634 HH22 ARG 91 1HH1 ARG 91 14.828 5.075 10.029 635 H ASP 92 H ASP 92 12.867 0.779 3.661 636 HA ASP 92 HA ASP 92 15.015 2.384 3.388 637 HB2 ASP 92 1HB ASP 92 14.725 -0.113 2.807 638 HB3 ASP 92 2HB ASP 92 14.095 0.405 1.256 639 H ALA 93 H ALA 93 12.130 2.006 1.242 640 HA ALA 93 HA ALA 93 13.080 3.613 -0.857 641 HB1 ALA 93 1HB ALA 93 11.085 1.907 -0.672 642 HB2 ALA 93 2HB ALA 93 10.160 3.337 -0.154 643 HB3 ALA 93 3HB ALA 93 10.945 3.316 -1.751 644 H ALA 94 H ALA 94 11.632 4.293 2.306 645 HA ALA 94 HA ALA 94 10.884 6.966 1.669 646 HB1 ALA 94 1HB ALA 94 11.265 6.643 4.469 647 HB2 ALA 94 2HB ALA 94 9.735 6.591 3.561 648 HB3 ALA 94 3HB ALA 94 10.648 5.091 3.853 649 H LEU 95 H LEU 95 13.816 5.288 2.762 650 HA LEU 95 HA LEU 95 15.102 7.682 3.644 651 HB2 LEU 95 1HB LEU 95 16.284 4.980 2.993 652 HB3 LEU 95 2HB LEU 95 17.049 6.267 3.903 653 HG LEU 95 HG LEU 95 14.492 4.930 4.810 654 HD11 LEU 95 1HD1 LEU 95 17.040 4.194 6.130 655 HD12 LEU 95 2HD1 LEU 95 15.585 3.222 5.798 656 HD13 LEU 95 3HD1 LEU 95 16.770 3.521 4.504 657 HD21 LEU 95 1HD2 LEU 95 16.209 5.943 6.893 658 HD22 LEU 95 2HD2 LEU 95 15.864 7.219 5.701 659 HD23 LEU 95 3HD2 LEU 95 14.524 6.364 6.502 660 H ALA 96 H ALA 96 14.174 6.538 0.614 661 HA ALA 96 HA ALA 96 16.524 7.685 -0.703 662 HB1 ALA 96 1HB ALA 96 14.814 6.643 -2.645 663 HB2 ALA 96 2HB ALA 96 16.237 5.827 -1.952 664 HB3 ALA 96 3HB ALA 96 14.620 5.527 -1.272 665 H HIS 97 H HIS 97 13.265 8.344 0.283 666 HA HIS 97 HA HIS 97 12.045 10.166 0.075 667 HB2 HIS 97 1HB HIS 97 14.062 11.414 -1.790 668 HB3 HIS 97 2HB HIS 97 12.910 12.212 -0.737 669 HD1 HIS 97 1HD HIS 97 15.867 12.983 -0.545 670 HD2 HIS 97 2HD HIS 97 14.104 9.986 1.801 671 HE1 HIS 97 1HE HIS 97 17.339 12.736 1.524 672 H LYS 98 H LYS 98 12.586 7.863 -2.103 673 HA LYS 98 HA LYS 98 10.394 8.735 -3.750 674 HB2 LYS 98 1HB LYS 98 12.064 9.751 -5.068 675 HB3 LYS 98 2HB LYS 98 13.183 8.420 -4.855 676 HG2 LYS 98 1HG LYS 98 10.722 7.390 -5.997 677 HG3 LYS 98 2HG LYS 98 11.241 8.775 -6.938 678 HD2 LYS 98 1HD LYS 98 13.493 7.777 -7.225 679 HD3 LYS 98 2HD LYS 98 13.051 6.425 -6.202 680 HE2 LYS 98 1HE LYS 98 11.832 5.391 -7.860 681 HE3 LYS 98 2HE LYS 98 11.168 6.898 -8.459 682 HZ1 LYS 98 1HZ LYS 98 12.600 6.579 -10.105 683 HZ2 LYS 98 2HZ LYS 98 13.754 7.120 -9.085 684 HZ3 LYS 98 3HZ LYS 98 13.523 5.515 -9.279 685 H VAL 99 H VAL 99 9.172 6.994 -4.455 686 HA VAL 99 HA VAL 99 10.356 4.358 -4.364 687 HB VAL 99 HB VAL 99 9.651 4.808 -2.045 688 HG11 VAL 99 1HG1 VAL 99 6.888 5.103 -3.269 689 HG12 VAL 99 2HG1 VAL 99 7.221 4.937 -1.529 690 HG13 VAL 99 3HG1 VAL 99 7.823 6.356 -2.419 691 HG21 VAL 99 1HG2 VAL 99 8.675 2.709 -1.687 692 HG22 VAL 99 2HG2 VAL 99 7.759 2.766 -3.212 693 HG23 VAL 99 3HG2 VAL 99 9.522 2.519 -3.241 694 H VAL 100 H VAL 100 8.945 2.738 -5.408 695 HA VAL 100 HA VAL 100 7.024 4.066 -7.192 696 HB VAL 100 HB VAL 100 9.074 1.925 -7.590 697 HG11 VAL 100 1HG1 VAL 100 7.560 0.590 -8.587 698 HG12 VAL 100 2HG1 VAL 100 6.336 1.879 -8.676 699 HG13 VAL 100 3HG1 VAL 100 7.613 1.778 -9.911 700 HG21 VAL 100 1HG2 VAL 100 9.544 3.171 -9.629 701 HG22 VAL 100 2HG2 VAL 100 8.139 4.226 -9.339 702 HG23 VAL 100 3HG2 VAL 100 9.531 4.274 -8.231 703 H LEU 101 H LEU 101 4.925 3.421 -7.083 704 HA LEU 101 HA LEU 101 4.415 0.966 -5.550 705 HB2 LEU 101 1HB LEU 101 2.609 3.373 -5.773 706 HB3 LEU 101 2HB LEU 101 2.388 1.965 -4.754 707 HG LEU 101 HG LEU 101 3.114 3.832 -3.416 708 HD11 LEU 101 1HD1 LEU 101 4.557 2.674 -2.112 709 HD12 LEU 101 2HD1 LEU 101 4.140 1.361 -3.239 710 HD13 LEU 101 3HD1 LEU 101 5.647 2.281 -3.464 711 HD21 LEU 101 1HD2 LEU 101 5.752 3.994 -4.841 712 HD22 LEU 101 2HD2 LEU 101 4.344 4.891 -5.457 713 HD23 LEU 101 3HD2 LEU 101 4.940 5.193 -3.807 714 H GLU 102 H GLU 102 3.144 -0.606 -6.474 715 HA GLU 102 HA GLU 102 2.065 0.094 -9.094 716 HB2 GLU 102 1HB GLU 102 4.016 -1.393 -9.317 717 HB3 GLU 102 2HB GLU 102 3.316 -2.536 -8.189 718 HG2 GLU 102 1HG GLU 102 2.093 -3.509 -9.834 719 HG3 GLU 102 2HG GLU 102 1.382 -1.972 -10.283 720 H VAL 103 H VAL 103 -0.135 0.178 -8.970 721 HA VAL 103 HA VAL 103 -1.433 -1.670 -7.099 722 HB VAL 103 HB VAL 103 -2.850 0.631 -8.355 723 HG11 VAL 103 1HG1 VAL 103 -4.341 0.235 -6.735 724 HG12 VAL 103 2HG1 VAL 103 -3.422 -1.244 -6.368 725 HG13 VAL 103 3HG1 VAL 103 -3.085 0.257 -5.473 726 HG21 VAL 103 1HG2 VAL 103 -0.943 1.858 -7.794 727 HG22 VAL 103 2HG2 VAL 103 -1.971 2.028 -6.351 728 HG23 VAL 103 3HG2 VAL 103 -0.614 0.876 -6.346 729 H GLU 104 H GLU 104 -3.209 -2.953 -7.807 730 HA GLU 104 HA GLU 104 -3.327 -3.147 -10.716 731 HB2 GLU 104 1HB GLU 104 -2.470 -5.102 -9.017 732 HB3 GLU 104 2HB GLU 104 -4.182 -5.476 -9.043 733 HG2 GLU 104 1HG GLU 104 -3.946 -5.249 -11.664 734 HG3 GLU 104 2HG GLU 104 -2.229 -5.428 -11.366 735 H PHE 105 H PHE 105 -5.311 -2.882 -11.695 736 HA PHE 105 HA PHE 105 -7.710 -3.356 -10.181 737 HB2 PHE 105 1HB PHE 105 -8.456 -0.934 -10.802 738 HB3 PHE 105 2HB PHE 105 -7.290 -1.059 -9.500 739 HD1 PHE 105 2HD PHE 105 -7.228 -0.838 -13.235 740 HD2 PHE 105 1HD PHE 105 -5.569 0.460 -9.551 741 HE1 PHE 105 2HE PHE 105 -5.679 0.699 -14.474 742 HE2 PHE 105 1HE PHE 105 -4.019 1.997 -10.791 743 HZ PHE 105 HZ PHE 105 -4.093 2.098 -13.237 744 H ASP 106 H ASP 106 -9.702 -2.713 -11.655 745 HA ASP 106 HA ASP 106 -8.971 -3.628 -14.314 746 HB2 ASP 106 1HB ASP 106 -11.649 -3.626 -12.842 747 HB3 ASP 106 2HB ASP 106 -11.436 -4.195 -14.486 748 H SER 107 H SER 107 -9.142 -0.773 -12.883 749 HA SER 107 HA SER 107 -9.752 1.257 -13.358 750 HB2 SER 107 1HB SER 107 -8.563 1.264 -15.358 751 HB3 SER 107 2HB SER 107 -9.522 -0.021 -16.065 752 HG SER 107 HG SER 107 -10.414 2.706 -15.643 753 H GLY 108 H GLY 108 -11.748 1.167 -12.132 754 HA2 GLY 108 1HA GLY 108 -14.139 1.246 -13.853 755 HA3 GLY 108 2HA GLY 108 -14.121 0.239 -12.419 756 HA PRO 109 HA PRO 109 -15.257 4.588 -11.324 757 HB2 PRO 109 1HB PRO 109 -17.965 4.356 -11.033 758 HB3 PRO 109 2HB PRO 109 -17.207 4.979 -12.485 759 HG2 PRO 109 1HG PRO 109 -18.452 2.336 -12.032 760 HG3 PRO 109 2HG PRO 109 -18.081 3.129 -13.550 761 HD2 PRO 109 1HD PRO 109 -16.615 0.988 -12.329 762 HD3 PRO 109 2HD PRO 109 -16.180 1.858 -13.786 763 H SER 110 H SER 110 -13.904 3.808 -9.560 764 HA SER 110 HA SER 110 -14.648 2.179 -7.622 765 HB2 SER 110 1HB SER 110 -13.236 3.472 -6.091 766 HB3 SER 110 2HB SER 110 -12.512 3.448 -7.686 767 HG SER 110 HG SER 110 -13.464 5.588 -8.060 768 H SER 111 H SER 111 -16.776 2.000 -6.906 769 HA SER 111 HA SER 111 -18.590 2.462 -5.809 770 HB2 SER 111 1HB SER 111 -17.147 3.278 -3.999 771 HB3 SER 111 2HB SER 111 -17.014 4.851 -4.758 772 HG SER 111 HG SER 111 -19.621 3.840 -4.137 773 H GLY 112 H GLY 112 -19.599 2.829 -7.945 774 HA2 GLY 112 1HA GLY 112 -19.799 5.517 -8.959 775 HA3 GLY 112 2HA GLY 112 -20.577 4.074 -9.577
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