NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512726 | 2rru | 11443 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 1.395 -0.233 -2.056 3 HA3 GLY 1 HA3 GLY 1 2.481 0.987 -1.408 4 HA PRO 2 HA PRO 2 4.488 -3.345 -0.537 5 HB2 PRO 2 HB2 PRO 2 3.437 -5.425 -1.930 6 HB3 PRO 2 HB3 PRO 2 2.874 -4.966 -0.319 7 HG2 PRO 2 HG2 PRO 2 1.687 -4.329 -2.992 8 HG3 PRO 2 HG3 PRO 2 0.875 -4.835 -1.499 9 HD2 PRO 2 HD2 PRO 2 0.958 -2.253 -2.310 10 HD3 PRO 2 HD3 PRO 2 0.942 -2.715 -0.596 11 H LEU 3 H LEU 3 6.024 -4.597 -1.820 12 HA LEU 3 HA LEU 3 6.463 -3.360 -4.444 13 HB2 LEU 3 HB2 LEU 3 8.151 -3.868 -2.262 14 HB3 LEU 3 HB3 LEU 3 8.648 -4.989 -3.528 15 HG LEU 3 HG LEU 3 8.624 -2.806 -5.006 16 HD11 LEU 3 HD11 LEU 3 9.449 -0.882 -3.653 17 HD12 LEU 3 HD12 LEU 3 8.974 -1.763 -2.202 18 HD13 LEU 3 HD13 LEU 3 7.753 -1.286 -3.382 19 HD21 LEU 3 HD21 LEU 3 11.043 -2.420 -3.939 20 HD22 LEU 3 HD22 LEU 3 10.662 -3.796 -4.974 21 HD23 LEU 3 HD23 LEU 3 10.667 -3.987 -3.221 22 H GLY 4 H GLY 4 7.017 -4.614 -6.261 23 HA2 GLY 4 HA2 GLY 4 6.826 -6.406 -7.682 24 HA3 GLY 4 HA3 GLY 4 7.281 -7.400 -6.306 25 H SER 5 H SER 5 5.837 -8.836 -5.629 26 HA SER 5 HA SER 5 3.045 -8.322 -5.500 27 HB2 SER 5 HB2 SER 5 3.083 -8.662 -7.889 28 HB3 SER 5 HB3 SER 5 4.029 -10.139 -7.710 29 HG SER 5 HG SER 5 1.964 -10.817 -7.934 30 H GLU 6 H GLU 6 1.979 -9.817 -4.245 31 HA GLU 6 HA GLU 6 3.678 -11.921 -3.091 32 HB2 GLU 6 HB2 GLU 6 1.810 -10.006 -1.961 33 HB3 GLU 6 HB3 GLU 6 1.421 -11.650 -1.477 34 HG2 GLU 6 HG2 GLU 6 4.137 -10.393 -1.181 35 HG3 GLU 6 HG3 GLU 6 2.921 -10.458 0.092 36 H ALA 7 H ALA 7 2.273 -13.785 -2.149 37 HA ALA 7 HA ALA 7 0.039 -14.481 -3.893 38 HB1 ALA 7 HB1 ALA 7 1.717 -15.456 -5.184 39 HB2 ALA 7 HB2 ALA 7 2.632 -15.981 -3.770 40 HB3 ALA 7 HB3 ALA 7 1.124 -16.790 -4.195 41 H ASP 8 H ASP 8 -0.536 -16.961 -3.198 42 HA ASP 8 HA ASP 8 -0.602 -16.984 -0.253 43 HB2 ASP 8 HB2 ASP 8 -2.800 -16.835 -2.117 44 HB3 ASP 8 HB3 ASP 8 -2.909 -18.311 -1.163 45 HA PRO 9 HA PRO 9 0.743 -21.157 -0.351 46 HB2 PRO 9 HB2 PRO 9 -0.684 -22.278 1.668 47 HB3 PRO 9 HB3 PRO 9 0.643 -21.143 1.944 48 HG2 PRO 9 HG2 PRO 9 -2.309 -20.643 1.943 49 HG3 PRO 9 HG3 PRO 9 -1.073 -20.042 3.064 50 HD2 PRO 9 HD2 PRO 9 -2.074 -18.531 1.052 51 HD3 PRO 9 HD3 PRO 9 -0.401 -18.371 1.625 52 H ARG 10 H ARG 10 -2.754 -20.674 -0.345 53 HA ARG 10 HA ARG 10 -3.207 -23.321 -1.470 54 HB2 ARG 10 HB2 ARG 10 -5.272 -21.179 -0.977 55 HB3 ARG 10 HB3 ARG 10 -5.532 -22.909 -1.153 56 HG2 ARG 10 HG2 ARG 10 -4.099 -21.572 1.133 57 HG3 ARG 10 HG3 ARG 10 -5.750 -22.196 1.166 58 HD2 ARG 10 HD2 ARG 10 -4.607 -24.419 0.400 59 HD3 ARG 10 HD3 ARG 10 -3.159 -23.676 1.078 60 HE ARG 10 HE ARG 10 -5.144 -23.441 2.993 61 HH11 ARG 10 HH11 ARG 10 -3.455 -25.997 1.339 62 HH12 ARG 10 HH12 ARG 10 -3.593 -27.116 2.654 63 HH21 ARG 10 HH21 ARG 10 -5.331 -24.905 4.732 64 HH22 ARG 10 HH22 ARG 10 -4.661 -26.495 4.583 65 H LEU 11 H LEU 11 -1.967 -20.770 -2.799 66 HA LEU 11 HA LEU 11 -3.581 -20.940 -5.258 67 HB2 LEU 11 HB2 LEU 11 -3.773 -18.734 -4.359 68 HB3 LEU 11 HB3 LEU 11 -2.030 -18.621 -4.127 69 HG LEU 11 HG LEU 11 -1.796 -18.710 -6.631 70 HD11 LEU 11 HD11 LEU 11 -4.128 -17.764 -7.596 71 HD12 LEU 11 HD12 LEU 11 -4.723 -18.892 -6.377 72 HD13 LEU 11 HD13 LEU 11 -3.652 -19.462 -7.657 73 HD21 LEU 11 HD21 LEU 11 -3.475 -16.353 -5.919 74 HD22 LEU 11 HD22 LEU 11 -1.951 -16.428 -6.804 75 HD23 LEU 11 HD23 LEU 11 -1.962 -16.621 -5.051 76 H ILE 12 H ILE 12 -0.302 -20.383 -4.003 77 HA ILE 12 HA ILE 12 1.109 -20.551 -6.382 78 HB ILE 12 HB ILE 12 3.049 -21.251 -5.045 79 HG12 ILE 12 HG12 ILE 12 2.315 -21.198 -2.428 80 HG13 ILE 12 HG13 ILE 12 0.911 -21.985 -3.142 81 HG21 ILE 12 HG21 ILE 12 1.485 -18.910 -4.703 82 HG22 ILE 12 HG22 ILE 12 2.192 -19.327 -3.143 83 HG23 ILE 12 HG23 ILE 12 3.231 -19.097 -4.549 84 HD11 ILE 12 HD11 ILE 12 3.186 -23.240 -2.337 85 HD12 ILE 12 HD12 ILE 12 2.019 -23.887 -3.490 86 HD13 ILE 12 HD13 ILE 12 3.462 -23.055 -4.069 87 H GLU 13 H GLU 13 -0.326 -23.081 -4.459 88 HA GLU 13 HA GLU 13 1.052 -25.309 -5.378 89 HB2 GLU 13 HB2 GLU 13 -1.013 -26.583 -4.855 90 HB3 GLU 13 HB3 GLU 13 -0.533 -25.488 -3.567 91 HG2 GLU 13 HG2 GLU 13 -2.674 -24.867 -3.582 92 HG3 GLU 13 HG3 GLU 13 -2.221 -23.916 -4.996 93 H SER 14 H SER 14 -1.625 -23.545 -6.848 94 HA SER 14 HA SER 14 -1.966 -25.388 -9.009 95 HB2 SER 14 HB2 SER 14 -2.932 -22.555 -8.583 96 HB3 SER 14 HB3 SER 14 -3.358 -23.525 -9.992 97 HG SER 14 HG SER 14 -3.942 -24.093 -7.274 98 H LEU 15 H LEU 15 -0.593 -22.106 -8.797 99 HA LEU 15 HA LEU 15 0.243 -21.773 -11.390 100 HB2 LEU 15 HB2 LEU 15 1.618 -20.926 -8.847 101 HB3 LEU 15 HB3 LEU 15 2.062 -20.346 -10.450 102 HG LEU 15 HG LEU 15 -0.755 -19.942 -9.928 103 HD11 LEU 15 HD11 LEU 15 -0.315 -19.715 -7.642 104 HD12 LEU 15 HD12 LEU 15 -0.284 -18.066 -8.265 105 HD13 LEU 15 HD13 LEU 15 1.228 -18.910 -7.926 106 HD21 LEU 15 HD21 LEU 15 1.071 -17.654 -10.184 107 HD22 LEU 15 HD22 LEU 15 -0.374 -18.066 -11.107 108 HD23 LEU 15 HD23 LEU 15 1.165 -18.839 -11.488 109 H SER 16 H SER 16 1.830 -23.581 -8.811 110 HA SER 16 HA SER 16 4.294 -24.074 -9.941 111 HB2 SER 16 HB2 SER 16 2.641 -25.299 -7.889 112 HB3 SER 16 HB3 SER 16 3.600 -26.501 -8.751 113 HG SER 16 HG SER 16 5.302 -25.782 -7.767 114 H GLN 17 H GLN 17 1.199 -25.558 -10.674 115 HA GLN 17 HA GLN 17 2.332 -27.570 -12.391 116 HB2 GLN 17 HB2 GLN 17 -0.554 -26.720 -12.361 117 HB3 GLN 17 HB3 GLN 17 0.117 -28.292 -12.772 118 HG2 GLN 17 HG2 GLN 17 0.938 -27.878 -10.165 119 HG3 GLN 17 HG3 GLN 17 -0.703 -27.237 -10.208 120 HE21 GLN 17 HE21 GLN 17 -1.528 -28.876 -8.937 121 HE22 GLN 17 HE22 GLN 17 -1.718 -30.494 -9.511 122 H MET 18 H MET 18 0.703 -24.463 -12.806 123 HA MET 18 HA MET 18 0.495 -24.549 -15.615 124 HB2 MET 18 HB2 MET 18 0.774 -22.094 -13.876 125 HB3 MET 18 HB3 MET 18 0.089 -22.163 -15.494 126 HG2 MET 18 HG2 MET 18 -1.208 -23.973 -13.618 127 HG3 MET 18 HG3 MET 18 -1.311 -22.278 -13.145 128 HE1 MET 18 HE1 MET 18 -2.136 -24.825 -16.186 129 HE2 MET 18 HE2 MET 18 -2.547 -23.590 -17.376 130 HE3 MET 18 HE3 MET 18 -0.923 -23.647 -16.690 131 H LEU 19 H LEU 19 2.890 -22.925 -13.531 132 HA LEU 19 HA LEU 19 4.535 -21.943 -15.547 133 HB2 LEU 19 HB2 LEU 19 5.456 -22.940 -12.859 134 HB3 LEU 19 HB3 LEU 19 6.250 -21.742 -13.879 135 HG LEU 19 HG LEU 19 3.505 -21.249 -12.775 136 HD11 LEU 19 HD11 LEU 19 5.680 -20.017 -11.288 137 HD12 LEU 19 HD12 LEU 19 5.653 -21.773 -11.138 138 HD13 LEU 19 HD13 LEU 19 4.226 -20.830 -10.708 139 HD21 LEU 19 HD21 LEU 19 5.518 -19.776 -14.271 140 HD22 LEU 19 HD22 LEU 19 4.964 -18.914 -12.835 141 HD23 LEU 19 HD23 LEU 19 3.800 -19.443 -14.050 142 H SER 20 H SER 20 4.491 -25.108 -13.990 143 HA SER 20 HA SER 20 6.857 -26.049 -15.294 144 HB2 SER 20 HB2 SER 20 6.047 -26.976 -13.137 145 HB3 SER 20 HB3 SER 20 4.647 -27.646 -13.975 146 HG SER 20 HG SER 20 6.680 -28.987 -13.617 147 H MET 21 H MET 21 3.464 -25.979 -16.054 148 HA MET 21 HA MET 21 3.620 -27.938 -18.152 149 HB2 MET 21 HB2 MET 21 1.544 -26.275 -16.915 150 HB3 MET 21 HB3 MET 21 1.329 -26.507 -18.644 151 HG2 MET 21 HG2 MET 21 1.432 -28.931 -18.327 152 HG3 MET 21 HG3 MET 21 1.625 -28.688 -16.592 153 HE1 MET 21 HE1 MET 21 -0.565 -26.039 -16.403 154 HE2 MET 21 HE2 MET 21 -1.782 -27.045 -15.617 155 HE3 MET 21 HE3 MET 21 -0.078 -27.242 -15.209 156 H GLY 22 H GLY 22 4.093 -24.517 -17.865 157 HA2 GLY 22 HA2 GLY 22 5.516 -23.632 -19.729 158 HA3 GLY 22 HA3 GLY 22 4.315 -24.327 -20.807 159 H PHE 23 H PHE 23 3.998 -22.408 -17.827 160 HA PHE 23 HA PHE 23 2.713 -20.287 -19.391 161 HB2 PHE 23 HB2 PHE 23 1.551 -21.638 -16.951 162 HB3 PHE 23 HB3 PHE 23 0.969 -20.099 -17.579 163 HD1 PHE 23 HD1 PHE 23 -0.259 -19.990 -19.663 164 HD2 PHE 23 HD2 PHE 23 1.127 -23.705 -18.116 165 HE1 PHE 23 HE1 PHE 23 -1.748 -21.187 -21.213 166 HE2 PHE 23 HE2 PHE 23 -0.360 -24.908 -19.664 167 HZ PHE 23 HZ PHE 23 -1.801 -23.649 -21.215 168 H SER 24 H SER 24 2.068 -18.491 -17.560 169 HA SER 24 HA SER 24 4.116 -18.173 -15.557 170 HB2 SER 24 HB2 SER 24 4.070 -15.926 -17.511 171 HB3 SER 24 HB3 SER 24 5.389 -16.510 -16.498 172 HG SER 24 HG SER 24 6.032 -17.684 -18.106 173 H ASP 25 H ASP 25 3.940 -15.509 -15.045 174 HA ASP 25 HA ASP 25 1.058 -15.020 -14.681 175 HB2 ASP 25 HB2 ASP 25 1.405 -14.292 -12.436 176 HB3 ASP 25 HB3 ASP 25 2.223 -15.844 -12.595 177 H GLU 26 H GLU 26 3.022 -14.002 -16.652 178 HA GLU 26 HA GLU 26 3.889 -11.421 -16.108 179 HB2 GLU 26 HB2 GLU 26 2.841 -12.414 -18.763 180 HB3 GLU 26 HB3 GLU 26 3.954 -11.077 -18.505 181 HG2 GLU 26 HG2 GLU 26 4.987 -13.466 -17.301 182 HG3 GLU 26 HG3 GLU 26 4.579 -13.757 -18.991 183 H GLY 27 H GLY 27 2.761 -9.728 -15.430 184 HA2 GLY 27 HA2 GLY 27 1.194 -7.995 -15.736 185 HA3 GLY 27 HA3 GLY 27 0.258 -9.055 -16.780 186 H GLY 28 H GLY 28 0.165 -11.287 -14.983 187 HA2 GLY 28 HA2 GLY 28 -0.613 -11.694 -12.702 188 HA3 GLY 28 HA3 GLY 28 -1.459 -10.157 -12.790 189 H TRP 29 H TRP 29 -1.323 -12.803 -15.150 190 HA TRP 29 HA TRP 29 -4.245 -12.812 -15.209 191 HB2 TRP 29 HB2 TRP 29 -4.087 -13.887 -17.316 192 HB3 TRP 29 HB3 TRP 29 -2.820 -12.663 -17.313 193 HD1 TRP 29 HD1 TRP 29 -0.273 -13.534 -17.159 194 HE1 TRP 29 HE1 TRP 29 0.783 -15.806 -17.748 195 HE3 TRP 29 HE3 TRP 29 -4.515 -16.384 -17.318 196 HZ2 TRP 29 HZ2 TRP 29 -0.070 -18.456 -18.219 197 HZ3 TRP 29 HZ3 TRP 29 -4.308 -18.778 -17.846 198 HH2 TRP 29 HH2 TRP 29 -2.131 -19.791 -18.287 199 H LEU 30 H LEU 30 -1.606 -14.662 -14.038 200 HA LEU 30 HA LEU 30 -3.339 -17.000 -13.623 201 HB2 LEU 30 HB2 LEU 30 -1.062 -17.179 -14.787 202 HB3 LEU 30 HB3 LEU 30 -0.371 -16.927 -13.186 203 HG LEU 30 HG LEU 30 -1.576 -18.962 -12.411 204 HD11 LEU 30 HD11 LEU 30 -2.011 -19.723 -15.258 205 HD12 LEU 30 HD12 LEU 30 -3.215 -18.727 -14.441 206 HD13 LEU 30 HD13 LEU 30 -2.802 -20.315 -13.796 207 HD21 LEU 30 HD21 LEU 30 0.289 -20.087 -12.858 208 HD22 LEU 30 HD22 LEU 30 0.772 -18.738 -13.886 209 HD23 LEU 30 HD23 LEU 30 -0.068 -20.123 -14.585 210 H THR 31 H THR 31 -2.398 -14.281 -12.069 211 HA THR 31 HA THR 31 -1.963 -15.467 -9.450 212 HB THR 31 HB THR 31 -0.659 -13.481 -10.061 213 HG1 THR 31 HG1 THR 31 -0.747 -13.003 -8.009 214 HG21 THR 31 HG21 THR 31 -2.893 -12.562 -11.277 215 HG22 THR 31 HG22 THR 31 -1.532 -11.538 -10.821 216 HG23 THR 31 HG23 THR 31 -2.947 -11.643 -9.773 217 H ARG 32 H ARG 32 -4.552 -14.254 -11.336 218 HA ARG 32 HA ARG 32 -6.293 -14.235 -8.958 219 HB2 ARG 32 HB2 ARG 32 -6.695 -12.694 -11.528 220 HB3 ARG 32 HB3 ARG 32 -7.733 -12.641 -10.109 221 HG2 ARG 32 HG2 ARG 32 -4.917 -11.993 -9.601 222 HG3 ARG 32 HG3 ARG 32 -5.772 -10.860 -10.650 223 HD2 ARG 32 HD2 ARG 32 -7.410 -11.591 -8.400 224 HD3 ARG 32 HD3 ARG 32 -5.846 -10.990 -7.854 225 HE ARG 32 HE ARG 32 -6.790 -9.240 -9.804 226 HH11 ARG 32 HH11 ARG 32 -7.648 -10.307 -6.603 227 HH12 ARG 32 HH12 ARG 32 -8.411 -8.813 -6.168 228 HH21 ARG 32 HH21 ARG 32 -7.791 -7.268 -9.244 229 HH22 ARG 32 HH22 ARG 32 -8.492 -7.086 -7.671 230 H LEU 33 H LEU 33 -5.784 -15.370 -12.205 231 HA LEU 33 HA LEU 33 -8.272 -16.324 -12.914 232 HB2 LEU 33 HB2 LEU 33 -6.623 -16.500 -14.539 233 HB3 LEU 33 HB3 LEU 33 -5.493 -17.294 -13.444 234 HG LEU 33 HG LEU 33 -6.875 -19.339 -13.553 235 HD11 LEU 33 HD11 LEU 33 -8.529 -19.429 -15.470 236 HD12 LEU 33 HD12 LEU 33 -8.484 -17.666 -15.461 237 HD13 LEU 33 HD13 LEU 33 -9.037 -18.541 -14.033 238 HD21 LEU 33 HD21 LEU 33 -6.430 -19.722 -16.085 239 HD22 LEU 33 HD22 LEU 33 -5.073 -19.447 -14.993 240 HD23 LEU 33 HD23 LEU 33 -5.668 -18.133 -16.008 241 H LEU 34 H LEU 34 -5.729 -18.217 -11.272 242 HA LEU 34 HA LEU 34 -7.188 -20.502 -10.765 243 HB2 LEU 34 HB2 LEU 34 -4.954 -19.170 -9.277 244 HB3 LEU 34 HB3 LEU 34 -5.672 -20.666 -8.685 245 HG LEU 34 HG LEU 34 -3.694 -21.235 -9.876 246 HD11 LEU 34 HD11 LEU 34 -5.912 -21.773 -11.828 247 HD12 LEU 34 HD12 LEU 34 -5.817 -22.573 -10.260 248 HD13 LEU 34 HD13 LEU 34 -4.521 -22.784 -11.436 249 HD21 LEU 34 HD21 LEU 34 -4.609 -20.094 -12.453 250 HD22 LEU 34 HD22 LEU 34 -2.976 -20.322 -11.827 251 HD23 LEU 34 HD23 LEU 34 -3.959 -18.974 -11.255 252 H GLN 35 H GLN 35 -6.907 -17.602 -8.731 253 HA GLN 35 HA GLN 35 -8.410 -18.434 -6.561 254 HB2 GLN 35 HB2 GLN 35 -8.043 -15.718 -7.808 255 HB3 GLN 35 HB3 GLN 35 -8.992 -15.947 -6.345 256 HG2 GLN 35 HG2 GLN 35 -7.073 -16.806 -5.176 257 HG3 GLN 35 HG3 GLN 35 -6.108 -16.747 -6.650 258 HE21 GLN 35 HE21 GLN 35 -5.596 -15.467 -4.114 259 HE22 GLN 35 HE22 GLN 35 -5.526 -13.769 -4.421 260 H THR 36 H THR 36 -9.453 -17.389 -9.723 261 HA THR 36 HA THR 36 -12.241 -17.231 -8.934 262 HB THR 36 HB THR 36 -12.098 -17.214 -11.737 263 HG1 THR 36 HG1 THR 36 -10.458 -15.495 -11.953 264 HG21 THR 36 HG21 THR 36 -12.424 -15.157 -9.591 265 HG22 THR 36 HG22 THR 36 -13.603 -15.755 -10.757 266 HG23 THR 36 HG23 THR 36 -12.328 -14.653 -11.278 267 H LYS 37 H LYS 37 -10.054 -19.561 -10.190 268 HA LYS 37 HA LYS 37 -12.251 -21.296 -11.070 269 HB2 LYS 37 HB2 LYS 37 -9.270 -21.650 -11.432 270 HB3 LYS 37 HB3 LYS 37 -10.526 -22.666 -12.128 271 HG2 LYS 37 HG2 LYS 37 -9.976 -19.776 -12.764 272 HG3 LYS 37 HG3 LYS 37 -9.696 -21.172 -13.808 273 HD2 LYS 37 HD2 LYS 37 -12.256 -21.578 -13.449 274 HD3 LYS 37 HD3 LYS 37 -12.267 -19.863 -13.030 275 HE2 LYS 37 HE2 LYS 37 -11.419 -19.253 -15.166 276 HE3 LYS 37 HE3 LYS 37 -11.062 -20.930 -15.574 277 HZ1 LYS 37 HZ1 LYS 37 -13.254 -19.676 -16.375 278 HZ2 LYS 37 HZ2 LYS 37 -13.832 -20.329 -14.925 279 HZ3 LYS 37 HZ3 LYS 37 -13.195 -21.346 -16.116 280 H ASN 38 H ASN 38 -11.168 -20.638 -8.242 281 HA ASN 38 HA ASN 38 -10.941 -21.720 -6.254 282 HB2 ASN 38 HB2 ASN 38 -13.054 -22.815 -7.178 283 HB3 ASN 38 HB3 ASN 38 -12.030 -24.175 -7.627 284 HD21 ASN 38 HD21 ASN 38 -11.740 -25.711 -6.177 285 HD22 ASN 38 HD22 ASN 38 -12.074 -25.582 -4.487 286 H TYR 39 H TYR 39 -8.659 -21.629 -7.831 287 HA TYR 39 HA TYR 39 -6.594 -22.548 -8.114 288 HB2 TYR 39 HB2 TYR 39 -7.213 -24.337 -5.775 289 HB3 TYR 39 HB3 TYR 39 -5.672 -23.619 -6.231 290 HD1 TYR 39 HD1 TYR 39 -5.931 -20.875 -6.399 291 HD2 TYR 39 HD2 TYR 39 -8.114 -23.483 -3.842 292 HE1 TYR 39 HE1 TYR 39 -6.339 -19.007 -4.853 293 HE2 TYR 39 HE2 TYR 39 -8.529 -21.621 -2.289 294 HH TYR 39 HH TYR 39 -6.852 -18.788 -2.325 295 H ASP 40 H ASP 40 -7.939 -23.567 -10.010 296 HA ASP 40 HA ASP 40 -7.714 -26.499 -9.841 297 HB2 ASP 40 HB2 ASP 40 -9.705 -24.723 -11.035 298 HB3 ASP 40 HB3 ASP 40 -9.135 -25.961 -12.151 299 H ILE 41 H ILE 41 -6.744 -27.636 -11.554 300 HA ILE 41 HA ILE 41 -4.791 -26.041 -13.047 301 HB ILE 41 HB ILE 41 -4.799 -29.041 -12.866 302 HG12 ILE 41 HG12 ILE 41 -4.886 -28.217 -10.571 303 HG13 ILE 41 HG13 ILE 41 -3.277 -28.834 -10.930 304 HG21 ILE 41 HG21 ILE 41 -2.261 -27.625 -12.863 305 HG22 ILE 41 HG22 ILE 41 -2.831 -28.925 -13.909 306 HG23 ILE 41 HG23 ILE 41 -3.249 -27.251 -14.276 307 HD11 ILE 41 HD11 ILE 41 -4.027 -25.924 -11.019 308 HD12 ILE 41 HD12 ILE 41 -3.299 -26.727 -9.627 309 HD13 ILE 41 HD13 ILE 41 -2.411 -26.619 -11.148 310 H GLY 42 H GLY 42 -7.480 -28.236 -13.471 311 HA2 GLY 42 HA2 GLY 42 -7.043 -28.546 -16.313 312 HA3 GLY 42 HA3 GLY 42 -8.414 -29.148 -15.393 313 H ALA 43 H ALA 43 -8.747 -26.353 -14.257 314 HA ALA 43 HA ALA 43 -10.488 -25.409 -16.378 315 HB1 ALA 43 HB1 ALA 43 -10.242 -23.864 -13.871 316 HB2 ALA 43 HB2 ALA 43 -11.679 -24.353 -14.770 317 HB3 ALA 43 HB3 ALA 43 -10.855 -25.512 -13.728 318 H ALA 44 H ALA 44 -7.582 -24.385 -14.677 319 HA ALA 44 HA ALA 44 -7.475 -21.776 -15.811 320 HB1 ALA 44 HB1 ALA 44 -6.327 -22.483 -13.705 321 HB2 ALA 44 HB2 ALA 44 -5.168 -23.363 -14.702 322 HB3 ALA 44 HB3 ALA 44 -5.302 -21.610 -14.844 323 H LEU 45 H LEU 45 -6.518 -24.922 -16.892 324 HA LEU 45 HA LEU 45 -4.595 -24.120 -18.818 325 HB2 LEU 45 HB2 LEU 45 -6.209 -26.588 -18.342 326 HB3 LEU 45 HB3 LEU 45 -5.305 -26.412 -19.844 327 HG LEU 45 HG LEU 45 -4.045 -26.244 -17.112 328 HD11 LEU 45 HD11 LEU 45 -3.872 -28.617 -18.931 329 HD12 LEU 45 HD12 LEU 45 -5.163 -28.472 -17.740 330 HD13 LEU 45 HD13 LEU 45 -3.480 -28.497 -17.216 331 HD21 LEU 45 HD21 LEU 45 -3.075 -25.367 -19.478 332 HD22 LEU 45 HD22 LEU 45 -2.511 -27.038 -19.493 333 HD23 LEU 45 HD23 LEU 45 -2.071 -25.972 -18.159 334 H ASP 46 H ASP 46 -8.028 -24.055 -18.742 335 HA ASP 46 HA ASP 46 -8.114 -23.523 -21.638 336 HB2 ASP 46 HB2 ASP 46 -9.583 -25.363 -20.278 337 HB3 ASP 46 HB3 ASP 46 -10.663 -23.973 -20.219 338 H THR 47 H THR 47 -7.237 -21.518 -19.926 339 HA THR 47 HA THR 47 -9.459 -19.601 -20.137 340 HB THR 47 HB THR 47 -7.447 -19.452 -17.902 341 HG1 THR 47 HG1 THR 47 -8.944 -21.423 -17.995 342 HG21 THR 47 HG21 THR 47 -8.443 -17.432 -17.798 343 HG22 THR 47 HG22 THR 47 -9.759 -18.319 -17.030 344 HG23 THR 47 HG23 THR 47 -9.829 -17.955 -18.754 345 H ILE 48 H ILE 48 -6.698 -20.400 -21.463 346 HA ILE 48 HA ILE 48 -5.625 -17.661 -21.588 347 HB ILE 48 HB ILE 48 -4.070 -19.932 -22.705 348 HG12 ILE 48 HG12 ILE 48 -3.113 -20.030 -20.216 349 HG13 ILE 48 HG13 ILE 48 -4.777 -19.606 -19.829 350 HG21 ILE 48 HG21 ILE 48 -3.551 -17.285 -21.440 351 HG22 ILE 48 HG22 ILE 48 -2.287 -18.514 -21.408 352 HG23 ILE 48 HG23 ILE 48 -2.933 -17.954 -22.950 353 HD11 ILE 48 HD11 ILE 48 -3.677 -22.140 -20.517 354 HD12 ILE 48 HD12 ILE 48 -5.315 -21.739 -20.000 355 HD13 ILE 48 HD13 ILE 48 -4.893 -21.688 -21.712 356 H GLN 49 H GLN 49 -6.737 -20.397 -23.489 357 HA GLN 49 HA GLN 49 -6.040 -19.620 -26.041 358 HB2 GLN 49 HB2 GLN 49 -8.659 -20.890 -25.227 359 HB3 GLN 49 HB3 GLN 49 -7.934 -20.936 -26.829 360 HG2 GLN 49 HG2 GLN 49 -6.190 -21.936 -24.711 361 HG3 GLN 49 HG3 GLN 49 -7.676 -22.861 -24.920 362 HE21 GLN 49 HE21 GLN 49 -4.691 -21.857 -26.377 363 HE22 GLN 49 HE22 GLN 49 -4.726 -22.966 -27.701 364 H TYR 50 H TYR 50 -9.074 -18.825 -24.343 365 HA TYR 50 HA TYR 50 -9.134 -16.202 -25.505 366 HB2 TYR 50 HB2 TYR 50 -11.109 -16.413 -26.829 367 HB3 TYR 50 HB3 TYR 50 -10.013 -17.692 -27.342 368 HD1 TYR 50 HD1 TYR 50 -10.420 -20.040 -26.527 369 HD2 TYR 50 HD2 TYR 50 -13.257 -16.915 -25.984 370 HE1 TYR 50 HE1 TYR 50 -12.178 -21.713 -26.127 371 HE2 TYR 50 HE2 TYR 50 -15.022 -18.580 -25.582 372 HH TYR 50 HH TYR 50 -15.222 -20.911 -24.851 373 H SER 51 H SER 51 -11.727 -15.497 -25.142 374 HA SER 51 HA SER 51 -12.185 -16.077 -22.289 375 HB2 SER 51 HB2 SER 51 -12.418 -13.525 -23.860 376 HB3 SER 51 HB3 SER 51 -13.347 -13.749 -22.378 377 HG SER 51 HG SER 51 -11.573 -13.082 -21.463 378 H LYS 52 H LYS 52 -14.042 -14.625 -24.965 379 HA LYS 52 HA LYS 52 -16.241 -16.477 -24.315 380 HB2 LYS 52 HB2 LYS 52 -16.434 -13.585 -25.176 381 HB3 LYS 52 HB3 LYS 52 -17.806 -14.672 -25.005 382 HG2 LYS 52 HG2 LYS 52 -16.215 -14.656 -22.606 383 HG3 LYS 52 HG3 LYS 52 -16.702 -13.020 -23.054 384 HD2 LYS 52 HD2 LYS 52 -19.045 -13.866 -23.276 385 HD3 LYS 52 HD3 LYS 52 -18.493 -15.407 -22.617 386 HE2 LYS 52 HE2 LYS 52 -18.416 -14.613 -20.521 387 HE3 LYS 52 HE3 LYS 52 -17.698 -13.085 -21.027 388 HZ1 LYS 52 HZ1 LYS 52 -20.370 -13.622 -20.329 389 HZ2 LYS 52 HZ2 LYS 52 -20.324 -13.106 -21.939 390 HZ3 LYS 52 HZ3 LYS 52 -19.659 -12.138 -20.723 391 H HIS 53 H HIS 53 -14.892 -14.393 -26.865 392 HA HIS 53 HA HIS 53 -16.266 -15.867 -28.935 393 HB2 HIS 53 HB2 HIS 53 -15.013 -14.347 -30.473 394 HB3 HIS 53 HB3 HIS 53 -15.979 -13.498 -29.270 395 HD1 HIS 53 HD1 HIS 53 -14.711 -11.431 -28.765 396 HD2 HIS 53 HD2 HIS 53 -12.243 -14.771 -28.911 397 HE1 HIS 53 HE1 HIS 53 -12.432 -10.614 -28.085 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 0.484 -6.029 -1.315 2 HA2 GLY 1 HA2 GLY 1 0.135 -3.112 -1.020 3 HA3 GLY 1 HA3 GLY 1 1.547 -3.875 -1.736 4 HA PRO 2 HA PRO 2 -1.623 -2.599 -5.001 5 HB2 PRO 2 HB2 PRO 2 -0.119 -0.677 -6.192 6 HB3 PRO 2 HB3 PRO 2 -1.223 -0.341 -4.853 7 HG2 PRO 2 HG2 PRO 2 1.744 -0.737 -4.809 8 HG3 PRO 2 HG3 PRO 2 0.763 0.469 -3.955 9 HD2 PRO 2 HD2 PRO 2 1.699 -1.768 -2.749 10 HD3 PRO 2 HD3 PRO 2 0.155 -1.015 -2.299 11 H LEU 3 H LEU 3 -1.257 -4.592 -5.997 12 HA LEU 3 HA LEU 3 -0.407 -6.078 -7.497 13 HB2 LEU 3 HB2 LEU 3 0.315 -3.427 -8.683 14 HB3 LEU 3 HB3 LEU 3 0.808 -4.923 -9.473 15 HG LEU 3 HG LEU 3 -1.807 -5.428 -9.196 16 HD11 LEU 3 HD11 LEU 3 -1.531 -2.440 -9.218 17 HD12 LEU 3 HD12 LEU 3 -2.528 -3.452 -8.173 18 HD13 LEU 3 HD13 LEU 3 -2.954 -3.251 -9.873 19 HD21 LEU 3 HD21 LEU 3 -0.562 -3.772 -11.390 20 HD22 LEU 3 HD22 LEU 3 -2.064 -4.688 -11.515 21 HD23 LEU 3 HD23 LEU 3 -0.534 -5.532 -11.271 22 H GLY 4 H GLY 4 1.039 -6.906 -5.847 23 HA2 GLY 4 HA2 GLY 4 3.860 -6.158 -6.303 24 HA3 GLY 4 HA3 GLY 4 3.241 -6.818 -4.797 25 H SER 5 H SER 5 5.315 -8.124 -5.512 26 HA SER 5 HA SER 5 4.556 -10.351 -7.255 27 HB2 SER 5 HB2 SER 5 6.739 -9.246 -7.654 28 HB3 SER 5 HB3 SER 5 7.248 -9.702 -6.028 29 HG SER 5 HG SER 5 7.964 -11.172 -7.661 30 H GLU 6 H GLU 6 3.093 -10.482 -5.040 31 HA GLU 6 HA GLU 6 4.444 -12.452 -3.316 32 HB2 GLU 6 HB2 GLU 6 2.957 -10.152 -2.649 33 HB3 GLU 6 HB3 GLU 6 1.944 -11.527 -2.232 34 HG2 GLU 6 HG2 GLU 6 3.688 -12.443 -0.839 35 HG3 GLU 6 HG3 GLU 6 4.787 -11.151 -1.320 36 H ALA 7 H ALA 7 2.983 -14.154 -2.421 37 HA ALA 7 HA ALA 7 0.657 -14.811 -4.028 38 HB1 ALA 7 HB1 ALA 7 2.188 -15.825 -5.462 39 HB2 ALA 7 HB2 ALA 7 3.205 -16.387 -4.134 40 HB3 ALA 7 HB3 ALA 7 1.643 -17.149 -4.432 41 H ASP 8 H ASP 8 0.067 -17.278 -3.300 42 HA ASP 8 HA ASP 8 0.251 -17.322 -0.360 43 HB2 ASP 8 HB2 ASP 8 -2.091 -17.095 -2.031 44 HB3 ASP 8 HB3 ASP 8 -2.163 -18.576 -1.079 45 HA PRO 9 HA PRO 9 1.461 -21.531 -0.592 46 HB2 PRO 9 HB2 PRO 9 0.177 -22.626 1.535 47 HB3 PRO 9 HB3 PRO 9 1.555 -21.531 1.704 48 HG2 PRO 9 HG2 PRO 9 -1.371 -20.947 1.954 49 HG3 PRO 9 HG3 PRO 9 -0.028 -20.390 2.969 50 HD2 PRO 9 HD2 PRO 9 -1.150 -18.836 1.057 51 HD3 PRO 9 HD3 PRO 9 0.569 -18.729 1.487 52 H ARG 10 H ARG 10 -2.006 -20.940 -0.302 53 HA ARG 10 HA ARG 10 -2.636 -23.570 -1.380 54 HB2 ARG 10 HB2 ARG 10 -4.484 -21.306 -0.603 55 HB3 ARG 10 HB3 ARG 10 -4.968 -22.949 -1.002 56 HG2 ARG 10 HG2 ARG 10 -3.277 -22.129 1.352 57 HG3 ARG 10 HG3 ARG 10 -4.984 -22.576 1.401 58 HD2 ARG 10 HD2 ARG 10 -4.005 -24.743 0.175 59 HD3 ARG 10 HD3 ARG 10 -2.577 -24.271 1.094 60 HE ARG 10 HE ARG 10 -3.627 -24.975 2.996 61 HH11 ARG 10 HH11 ARG 10 -6.011 -24.511 0.502 62 HH12 ARG 10 HH12 ARG 10 -7.310 -25.171 1.440 63 HH21 ARG 10 HH21 ARG 10 -5.328 -25.846 4.241 64 HH22 ARG 10 HH22 ARG 10 -6.921 -25.929 3.566 65 H LEU 11 H LEU 11 -1.424 -21.046 -2.804 66 HA LEU 11 HA LEU 11 -3.217 -21.180 -5.139 67 HB2 LEU 11 HB2 LEU 11 -3.295 -18.968 -4.256 68 HB3 LEU 11 HB3 LEU 11 -1.540 -18.901 -4.113 69 HG LEU 11 HG LEU 11 -1.452 -19.014 -6.635 70 HD11 LEU 11 HD11 LEU 11 -3.804 -17.951 -7.439 71 HD12 LEU 11 HD12 LEU 11 -4.357 -19.080 -6.202 72 HD13 LEU 11 HD13 LEU 11 -3.394 -19.662 -7.560 73 HD21 LEU 11 HD21 LEU 11 -1.767 -16.880 -4.903 74 HD22 LEU 11 HD22 LEU 11 -2.921 -16.552 -6.197 75 HD23 LEU 11 HD23 LEU 11 -1.216 -16.800 -6.577 76 H ILE 12 H ILE 12 0.161 -20.677 -4.143 77 HA ILE 12 HA ILE 12 1.392 -20.889 -6.609 78 HB ILE 12 HB ILE 12 3.401 -21.652 -5.417 79 HG12 ILE 12 HG12 ILE 12 2.916 -21.626 -2.768 80 HG13 ILE 12 HG13 ILE 12 1.384 -22.284 -3.334 81 HG21 ILE 12 HG21 ILE 12 3.669 -19.502 -4.947 82 HG22 ILE 12 HG22 ILE 12 1.921 -19.274 -4.932 83 HG23 ILE 12 HG23 ILE 12 2.764 -19.721 -3.449 84 HD11 ILE 12 HD11 ILE 12 3.750 -23.666 -2.868 85 HD12 ILE 12 HD12 ILE 12 2.290 -24.276 -3.647 86 HD13 ILE 12 HD13 ILE 12 3.593 -23.596 -4.623 87 H GLU 13 H GLU 13 0.005 -23.384 -4.613 88 HA GLU 13 HA GLU 13 1.250 -25.653 -5.607 89 HB2 GLU 13 HB2 GLU 13 -0.869 -26.842 -5.024 90 HB3 GLU 13 HB3 GLU 13 -0.239 -25.825 -3.736 91 HG2 GLU 13 HG2 GLU 13 -2.263 -24.943 -3.587 92 HG3 GLU 13 HG3 GLU 13 -1.945 -24.154 -5.131 93 H SER 14 H SER 14 -1.405 -23.771 -6.961 94 HA SER 14 HA SER 14 -1.872 -25.602 -9.125 95 HB2 SER 14 HB2 SER 14 -2.835 -22.790 -8.578 96 HB3 SER 14 HB3 SER 14 -3.307 -23.711 -10.006 97 HG SER 14 HG SER 14 -3.605 -24.951 -7.531 98 H LEU 15 H LEU 15 -0.420 -22.365 -8.852 99 HA LEU 15 HA LEU 15 0.258 -21.907 -11.471 100 HB2 LEU 15 HB2 LEU 15 1.722 -21.225 -8.936 101 HB3 LEU 15 HB3 LEU 15 2.250 -20.655 -10.517 102 HG LEU 15 HG LEU 15 -0.543 -20.048 -10.044 103 HD11 LEU 15 HD11 LEU 15 -0.039 -18.267 -8.342 104 HD12 LEU 15 HD12 LEU 15 1.485 -19.099 -8.035 105 HD13 LEU 15 HD13 LEU 15 -0.045 -19.922 -7.732 106 HD21 LEU 15 HD21 LEU 15 1.466 -17.909 -10.255 107 HD22 LEU 15 HD22 LEU 15 -0.004 -18.188 -11.189 108 HD23 LEU 15 HD23 LEU 15 1.467 -19.083 -11.572 109 H SER 16 H SER 16 2.066 -23.785 -9.071 110 HA SER 16 HA SER 16 4.374 -24.318 -10.466 111 HB2 SER 16 HB2 SER 16 2.889 -25.607 -8.292 112 HB3 SER 16 HB3 SER 16 3.869 -26.732 -9.232 113 HG SER 16 HG SER 16 4.684 -25.072 -7.361 114 H GLN 17 H GLN 17 1.186 -25.684 -10.918 115 HA GLN 17 HA GLN 17 2.088 -27.735 -12.730 116 HB2 GLN 17 HB2 GLN 17 -0.750 -26.786 -12.382 117 HB3 GLN 17 HB3 GLN 17 -0.192 -28.364 -12.924 118 HG2 GLN 17 HG2 GLN 17 0.925 -28.051 -10.399 119 HG3 GLN 17 HG3 GLN 17 -0.709 -27.406 -10.255 120 HE21 GLN 17 HE21 GLN 17 -1.508 -29.052 -9.020 121 HE22 GLN 17 HE22 GLN 17 -1.726 -30.662 -9.608 122 H MET 18 H MET 18 0.547 -24.569 -12.973 123 HA MET 18 HA MET 18 0.099 -24.653 -15.769 124 HB2 MET 18 HB2 MET 18 0.503 -22.189 -14.069 125 HB3 MET 18 HB3 MET 18 -0.348 -22.292 -15.605 126 HG2 MET 18 HG2 MET 18 -1.456 -24.118 -13.663 127 HG3 MET 18 HG3 MET 18 -1.446 -22.461 -13.065 128 HE1 MET 18 HE1 MET 18 -1.925 -22.835 -17.132 129 HE2 MET 18 HE2 MET 18 -1.806 -24.373 -16.276 130 HE3 MET 18 HE3 MET 18 -3.345 -23.870 -16.976 131 H LEU 19 H LEU 19 2.558 -22.865 -13.896 132 HA LEU 19 HA LEU 19 4.067 -21.964 -16.043 133 HB2 LEU 19 HB2 LEU 19 5.198 -22.789 -13.379 134 HB3 LEU 19 HB3 LEU 19 5.841 -21.584 -14.492 135 HG LEU 19 HG LEU 19 3.303 -21.348 -12.877 136 HD11 LEU 19 HD11 LEU 19 5.299 -19.320 -12.456 137 HD12 LEU 19 HD12 LEU 19 5.963 -20.923 -12.143 138 HD13 LEU 19 HD13 LEU 19 4.517 -20.386 -11.289 139 HD21 LEU 19 HD21 LEU 19 3.112 -19.122 -13.763 140 HD22 LEU 19 HD22 LEU 19 3.187 -20.263 -15.106 141 HD23 LEU 19 HD23 LEU 19 4.609 -19.312 -14.678 142 H SER 20 H SER 20 4.069 -25.079 -14.441 143 HA SER 20 HA SER 20 6.441 -26.010 -15.781 144 HB2 SER 20 HB2 SER 20 5.759 -26.843 -13.535 145 HB3 SER 20 HB3 SER 20 4.353 -27.607 -14.277 146 HG SER 20 HG SER 20 6.220 -28.999 -13.986 147 H MET 21 H MET 21 3.024 -26.016 -16.374 148 HA MET 21 HA MET 21 3.097 -28.090 -18.366 149 HB2 MET 21 HB2 MET 21 1.053 -26.312 -17.185 150 HB3 MET 21 HB3 MET 21 0.761 -26.806 -18.847 151 HG2 MET 21 HG2 MET 21 0.999 -29.161 -18.150 152 HG3 MET 21 HG3 MET 21 1.178 -28.618 -16.483 153 HE1 MET 21 HE1 MET 21 -0.887 -26.063 -16.773 154 HE2 MET 21 HE2 MET 21 -2.348 -26.764 -16.077 155 HE3 MET 21 HE3 MET 21 -0.786 -27.042 -15.308 156 H GLY 22 H GLY 22 3.290 -24.590 -18.309 157 HA2 GLY 22 HA2 GLY 22 4.710 -23.885 -20.343 158 HA3 GLY 22 HA3 GLY 22 3.358 -24.544 -21.251 159 H PHE 23 H PHE 23 3.499 -22.525 -18.323 160 HA PHE 23 HA PHE 23 2.178 -20.366 -19.795 161 HB2 PHE 23 HB2 PHE 23 1.156 -21.579 -17.220 162 HB3 PHE 23 HB3 PHE 23 0.580 -20.059 -17.894 163 HD1 PHE 23 HD1 PHE 23 0.608 -23.696 -18.261 164 HD2 PHE 23 HD2 PHE 23 -0.830 -20.018 -19.850 165 HE1 PHE 23 HE1 PHE 23 -1.031 -24.928 -19.622 166 HE2 PHE 23 HE2 PHE 23 -2.471 -21.244 -21.212 167 HZ PHE 23 HZ PHE 23 -2.574 -23.702 -21.099 168 H SER 24 H SER 24 1.875 -18.440 -18.117 169 HA SER 24 HA SER 24 4.156 -18.249 -16.309 170 HB2 SER 24 HB2 SER 24 3.949 -15.831 -17.914 171 HB3 SER 24 HB3 SER 24 5.368 -16.807 -17.534 172 HG SER 24 HG SER 24 4.319 -16.610 -19.847 173 H ASP 25 H ASP 25 4.068 -15.605 -15.690 174 HA ASP 25 HA ASP 25 1.280 -15.102 -14.896 175 HB2 ASP 25 HB2 ASP 25 2.185 -14.254 -12.702 176 HB3 ASP 25 HB3 ASP 25 2.322 -15.995 -12.936 177 H GLU 26 H GLU 26 2.828 -13.987 -17.076 178 HA GLU 26 HA GLU 26 3.978 -11.524 -16.595 179 HB2 GLU 26 HB2 GLU 26 2.287 -12.430 -18.928 180 HB3 GLU 26 HB3 GLU 26 3.190 -10.922 -18.910 181 HG2 GLU 26 HG2 GLU 26 4.890 -13.120 -18.179 182 HG3 GLU 26 HG3 GLU 26 4.088 -13.435 -19.717 183 H GLY 27 H GLY 27 3.212 -9.844 -15.505 184 HA2 GLY 27 HA2 GLY 27 1.801 -8.026 -15.121 185 HA3 GLY 27 HA3 GLY 27 0.588 -8.782 -16.143 186 H GLY 28 H GLY 28 0.097 -11.158 -14.995 187 HA2 GLY 28 HA2 GLY 28 -0.137 -11.902 -12.553 188 HA3 GLY 28 HA3 GLY 28 -0.961 -10.362 -12.362 189 H TRP 29 H TRP 29 -1.117 -12.851 -14.901 190 HA TRP 29 HA TRP 29 -4.033 -12.762 -14.712 191 HB2 TRP 29 HB2 TRP 29 -4.094 -13.720 -16.881 192 HB3 TRP 29 HB3 TRP 29 -2.791 -12.535 -16.923 193 HD1 TRP 29 HD1 TRP 29 -0.269 -13.490 -17.029 194 HE1 TRP 29 HE1 TRP 29 0.653 -15.753 -17.837 195 HE3 TRP 29 HE3 TRP 29 -4.609 -16.193 -16.999 196 HZ2 TRP 29 HZ2 TRP 29 -0.329 -18.341 -18.389 197 HZ3 TRP 29 HZ3 TRP 29 -4.531 -18.556 -17.682 198 HH2 TRP 29 HH2 TRP 29 -2.435 -19.606 -18.363 199 H LEU 30 H LEU 30 -1.376 -14.732 -13.843 200 HA LEU 30 HA LEU 30 -3.105 -17.077 -13.481 201 HB2 LEU 30 HB2 LEU 30 -0.846 -17.180 -14.692 202 HB3 LEU 30 HB3 LEU 30 -0.131 -17.015 -13.090 203 HG LEU 30 HG LEU 30 -1.288 -19.097 -12.407 204 HD11 LEU 30 HD11 LEU 30 -1.810 -19.898 -15.182 205 HD12 LEU 30 HD12 LEU 30 -2.908 -18.679 -14.536 206 HD13 LEU 30 HD13 LEU 30 -2.725 -20.226 -13.710 207 HD21 LEU 30 HD21 LEU 30 0.567 -20.171 -12.988 208 HD22 LEU 30 HD22 LEU 30 0.985 -18.786 -13.997 209 HD23 LEU 30 HD23 LEU 30 0.112 -20.152 -14.692 210 H THR 31 H THR 31 -2.290 -14.441 -11.799 211 HA THR 31 HA THR 31 -1.739 -15.753 -9.254 212 HB THR 31 HB THR 31 -0.479 -13.728 -9.725 213 HG1 THR 31 HG1 THR 31 -2.364 -12.962 -7.761 214 HG21 THR 31 HG21 THR 31 -2.648 -11.821 -9.427 215 HG22 THR 31 HG22 THR 31 -2.833 -12.812 -10.873 216 HG23 THR 31 HG23 THR 31 -1.357 -11.879 -10.627 217 H ARG 32 H ARG 32 -4.379 -14.440 -11.025 218 HA ARG 32 HA ARG 32 -6.086 -14.633 -8.630 219 HB2 ARG 32 HB2 ARG 32 -6.543 -12.918 -11.078 220 HB3 ARG 32 HB3 ARG 32 -7.573 -12.991 -9.655 221 HG2 ARG 32 HG2 ARG 32 -4.764 -12.323 -9.122 222 HG3 ARG 32 HG3 ARG 32 -5.658 -11.132 -10.068 223 HD2 ARG 32 HD2 ARG 32 -7.233 -12.094 -7.848 224 HD3 ARG 32 HD3 ARG 32 -5.684 -11.457 -7.296 225 HE ARG 32 HE ARG 32 -6.735 -9.620 -9.095 226 HH11 ARG 32 HH11 ARG 32 -7.540 -10.967 -5.988 227 HH12 ARG 32 HH12 ARG 32 -8.376 -9.550 -5.445 228 HH21 ARG 32 HH21 ARG 32 -7.834 -7.749 -8.392 229 HH22 ARG 32 HH22 ARG 32 -8.544 -7.721 -6.813 230 H LEU 33 H LEU 33 -5.582 -15.561 -11.935 231 HA LEU 33 HA LEU 33 -8.061 -16.488 -12.704 232 HB2 LEU 33 HB2 LEU 33 -6.410 -16.565 -14.333 233 HB3 LEU 33 HB3 LEU 33 -5.274 -17.406 -13.280 234 HG LEU 33 HG LEU 33 -6.546 -19.469 -13.528 235 HD11 LEU 33 HD11 LEU 33 -8.364 -17.767 -15.216 236 HD12 LEU 33 HD12 LEU 33 -8.773 -18.690 -13.771 237 HD13 LEU 33 HD13 LEU 33 -8.358 -19.530 -15.265 238 HD21 LEU 33 HD21 LEU 33 -5.646 -18.033 -16.000 239 HD22 LEU 33 HD22 LEU 33 -6.267 -19.682 -16.080 240 HD23 LEU 33 HD23 LEU 33 -4.842 -19.323 -15.105 241 H LEU 34 H LEU 34 -5.553 -18.285 -10.928 242 HA LEU 34 HA LEU 34 -7.024 -20.657 -10.616 243 HB2 LEU 34 HB2 LEU 34 -4.757 -19.445 -9.064 244 HB3 LEU 34 HB3 LEU 34 -5.461 -21.000 -8.627 245 HG LEU 34 HG LEU 34 -3.489 -21.429 -9.883 246 HD11 LEU 34 HD11 LEU 34 -5.481 -22.817 -10.385 247 HD12 LEU 34 HD12 LEU 34 -4.336 -22.718 -11.723 248 HD13 LEU 34 HD13 LEU 34 -5.821 -21.767 -11.761 249 HD21 LEU 34 HD21 LEU 34 -3.775 -19.035 -11.012 250 HD22 LEU 34 HD22 LEU 34 -4.421 -20.026 -12.320 251 HD23 LEU 34 HD23 LEU 34 -2.784 -20.307 -11.728 252 H GLN 35 H GLN 35 -6.655 -17.849 -8.474 253 HA GLN 35 HA GLN 35 -8.100 -18.748 -6.294 254 HB2 GLN 35 HB2 GLN 35 -7.753 -15.994 -7.458 255 HB3 GLN 35 HB3 GLN 35 -8.670 -16.266 -5.983 256 HG2 GLN 35 HG2 GLN 35 -6.697 -17.255 -4.937 257 HG3 GLN 35 HG3 GLN 35 -5.777 -16.974 -6.415 258 HE21 GLN 35 HE21 GLN 35 -7.956 -15.102 -4.324 259 HE22 GLN 35 HE22 GLN 35 -6.931 -13.716 -4.210 260 H THR 36 H THR 36 -9.241 -17.499 -9.362 261 HA THR 36 HA THR 36 -11.984 -17.296 -8.527 262 HB THR 36 HB THR 36 -12.009 -17.413 -11.300 263 HG1 THR 36 HG1 THR 36 -10.127 -16.747 -12.011 264 HG21 THR 36 HG21 THR 36 -13.251 -15.726 -10.332 265 HG22 THR 36 HG22 THR 36 -11.892 -14.813 -10.986 266 HG23 THR 36 HG23 THR 36 -11.936 -15.221 -9.271 267 H LYS 37 H LYS 37 -9.942 -19.769 -9.802 268 HA LYS 37 HA LYS 37 -12.254 -21.465 -10.433 269 HB2 LYS 37 HB2 LYS 37 -9.321 -21.917 -11.018 270 HB3 LYS 37 HB3 LYS 37 -10.649 -22.939 -11.553 271 HG2 LYS 37 HG2 LYS 37 -10.104 -20.098 -12.384 272 HG3 LYS 37 HG3 LYS 37 -9.938 -21.551 -13.372 273 HD2 LYS 37 HD2 LYS 37 -12.455 -21.896 -12.818 274 HD3 LYS 37 HD3 LYS 37 -12.422 -20.176 -12.422 275 HE2 LYS 37 HE2 LYS 37 -12.252 -19.558 -14.577 276 HE3 LYS 37 HE3 LYS 37 -11.143 -20.871 -14.969 277 HZ1 LYS 37 HZ1 LYS 37 -12.832 -21.866 -15.971 278 HZ2 LYS 37 HZ2 LYS 37 -13.931 -20.701 -15.426 279 HZ3 LYS 37 HZ3 LYS 37 -13.588 -22.053 -14.469 280 H ASN 38 H ASN 38 -10.893 -20.724 -7.735 281 HA ASN 38 HA ASN 38 -10.565 -21.731 -5.723 282 HB2 ASN 38 HB2 ASN 38 -12.755 -22.855 -6.540 283 HB3 ASN 38 HB3 ASN 38 -11.741 -24.265 -6.834 284 HD21 ASN 38 HD21 ASN 38 -13.808 -24.407 -5.075 285 HD22 ASN 38 HD22 ASN 38 -13.203 -24.542 -3.462 286 H TYR 39 H TYR 39 -8.408 -21.753 -7.475 287 HA TYR 39 HA TYR 39 -6.361 -22.691 -7.801 288 HB2 TYR 39 HB2 TYR 39 -6.942 -24.510 -5.474 289 HB3 TYR 39 HB3 TYR 39 -5.394 -23.849 -5.986 290 HD1 TYR 39 HD1 TYR 39 -5.613 -21.074 -6.134 291 HD2 TYR 39 HD2 TYR 39 -7.652 -23.674 -3.454 292 HE1 TYR 39 HE1 TYR 39 -5.874 -19.218 -4.542 293 HE2 TYR 39 HE2 TYR 39 -7.920 -21.825 -1.854 294 HH TYR 39 HH TYR 39 -7.974 -19.074 -2.215 295 H ASP 40 H ASP 40 -7.927 -23.645 -9.620 296 HA ASP 40 HA ASP 40 -7.690 -26.579 -9.553 297 HB2 ASP 40 HB2 ASP 40 -9.744 -24.755 -10.570 298 HB3 ASP 40 HB3 ASP 40 -9.275 -25.995 -11.731 299 H ILE 41 H ILE 41 -6.901 -27.674 -11.398 300 HA ILE 41 HA ILE 41 -5.060 -26.041 -12.999 301 HB ILE 41 HB ILE 41 -4.992 -29.039 -12.877 302 HG12 ILE 41 HG12 ILE 41 -4.982 -28.313 -10.555 303 HG13 ILE 41 HG13 ILE 41 -3.368 -28.844 -11.015 304 HG21 ILE 41 HG21 ILE 41 -3.557 -27.165 -14.299 305 HG22 ILE 41 HG22 ILE 41 -2.492 -27.558 -12.949 306 HG23 ILE 41 HG23 ILE 41 -3.081 -28.838 -14.010 307 HD11 ILE 41 HD11 ILE 41 -2.628 -26.567 -11.220 308 HD12 ILE 41 HD12 ILE 41 -4.261 -25.974 -10.916 309 HD13 ILE 41 HD13 ILE 41 -3.372 -26.805 -9.638 310 H GLY 42 H GLY 42 -7.789 -28.193 -13.213 311 HA2 GLY 42 HA2 GLY 42 -7.559 -28.528 -16.082 312 HA3 GLY 42 HA3 GLY 42 -8.855 -29.129 -15.059 313 H ALA 43 H ALA 43 -9.038 -26.294 -13.922 314 HA ALA 43 HA ALA 43 -10.933 -25.350 -15.924 315 HB1 ALA 43 HB1 ALA 43 -11.874 -25.370 -13.782 316 HB2 ALA 43 HB2 ALA 43 -10.440 -24.652 -13.047 317 HB3 ALA 43 HB3 ALA 43 -11.488 -23.675 -14.075 318 H ALA 44 H ALA 44 -7.912 -24.405 -14.415 319 HA ALA 44 HA ALA 44 -7.894 -21.764 -15.543 320 HB1 ALA 44 HB1 ALA 44 -5.556 -23.280 -14.402 321 HB2 ALA 44 HB2 ALA 44 -5.727 -21.533 -14.579 322 HB3 ALA 44 HB3 ALA 44 -6.732 -22.405 -13.421 323 H LEU 45 H LEU 45 -7.129 -24.885 -16.677 324 HA LEU 45 HA LEU 45 -5.131 -24.121 -18.583 325 HB2 LEU 45 HB2 LEU 45 -6.711 -26.581 -18.010 326 HB3 LEU 45 HB3 LEU 45 -5.902 -26.436 -19.569 327 HG LEU 45 HG LEU 45 -4.446 -26.162 -16.949 328 HD11 LEU 45 HD11 LEU 45 -4.003 -28.416 -16.873 329 HD12 LEU 45 HD12 LEU 45 -4.380 -28.660 -18.578 330 HD13 LEU 45 HD13 LEU 45 -5.682 -28.411 -17.415 331 HD21 LEU 45 HD21 LEU 45 -2.678 -25.730 -18.218 332 HD22 LEU 45 HD22 LEU 45 -3.731 -25.709 -19.632 333 HD23 LEU 45 HD23 LEU 45 -2.940 -27.208 -19.146 334 H ASP 46 H ASP 46 -8.553 -24.016 -18.469 335 HA ASP 46 HA ASP 46 -8.688 -23.595 -21.381 336 HB2 ASP 46 HB2 ASP 46 -10.265 -25.197 -19.718 337 HB3 ASP 46 HB3 ASP 46 -11.269 -23.794 -20.074 338 H THR 47 H THR 47 -7.867 -21.669 -19.252 339 HA THR 47 HA THR 47 -9.969 -19.641 -19.644 340 HB THR 47 HB THR 47 -7.814 -19.444 -17.554 341 HG1 THR 47 HG1 THR 47 -9.235 -21.430 -17.440 342 HG21 THR 47 HG21 THR 47 -10.361 -18.058 -18.196 343 HG22 THR 47 HG22 THR 47 -8.840 -17.404 -17.591 344 HG23 THR 47 HG23 THR 47 -9.938 -18.242 -16.494 345 H ILE 48 H ILE 48 -7.462 -20.512 -21.251 346 HA ILE 48 HA ILE 48 -6.335 -17.802 -21.531 347 HB ILE 48 HB ILE 48 -4.800 -20.144 -22.528 348 HG12 ILE 48 HG12 ILE 48 -3.731 -20.015 -20.086 349 HG13 ILE 48 HG13 ILE 48 -5.380 -19.573 -19.661 350 HG21 ILE 48 HG21 ILE 48 -2.940 -18.660 -21.564 351 HG22 ILE 48 HG22 ILE 48 -3.801 -18.090 -22.993 352 HG23 ILE 48 HG23 ILE 48 -4.195 -17.431 -21.406 353 HD11 ILE 48 HD11 ILE 48 -5.985 -21.694 -19.710 354 HD12 ILE 48 HD12 ILE 48 -5.442 -21.844 -21.380 355 HD13 ILE 48 HD13 ILE 48 -4.315 -22.140 -20.056 356 H GLN 49 H GLN 49 -7.613 -20.626 -23.139 357 HA GLN 49 HA GLN 49 -6.990 -20.139 -25.777 358 HB2 GLN 49 HB2 GLN 49 -9.627 -21.162 -24.710 359 HB3 GLN 49 HB3 GLN 49 -9.033 -21.366 -26.353 360 HG2 GLN 49 HG2 GLN 49 -7.625 -22.436 -23.922 361 HG3 GLN 49 HG3 GLN 49 -8.779 -23.361 -24.880 362 HE21 GLN 49 HE21 GLN 49 -8.236 -23.943 -27.004 363 HE22 GLN 49 HE22 GLN 49 -6.594 -23.968 -27.540 364 H TYR 50 H TYR 50 -9.694 -18.809 -23.901 365 HA TYR 50 HA TYR 50 -9.695 -16.381 -25.381 366 HB2 TYR 50 HB2 TYR 50 -11.788 -16.556 -26.532 367 HB3 TYR 50 HB3 TYR 50 -10.817 -17.948 -26.997 368 HD1 TYR 50 HD1 TYR 50 -13.770 -16.822 -25.149 369 HD2 TYR 50 HD2 TYR 50 -11.432 -20.189 -26.290 370 HE1 TYR 50 HE1 TYR 50 -15.601 -18.317 -24.469 371 HE2 TYR 50 HE2 TYR 50 -13.257 -21.693 -25.614 372 HH TYR 50 HH TYR 50 -15.707 -20.856 -23.676 373 H SER 51 H SER 51 -10.547 -14.804 -24.165 374 HA SER 51 HA SER 51 -12.789 -15.026 -22.498 375 HB2 SER 51 HB2 SER 51 -11.473 -16.455 -21.073 376 HB3 SER 51 HB3 SER 51 -10.123 -15.320 -21.098 377 HG SER 51 HG SER 51 -11.468 -15.215 -19.186 378 H LYS 52 H LYS 52 -9.601 -13.497 -22.028 379 HA LYS 52 HA LYS 52 -10.860 -10.915 -21.680 380 HB2 LYS 52 HB2 LYS 52 -8.030 -11.915 -21.488 381 HB3 LYS 52 HB3 LYS 52 -8.389 -10.194 -21.467 382 HG2 LYS 52 HG2 LYS 52 -9.838 -11.983 -19.582 383 HG3 LYS 52 HG3 LYS 52 -8.160 -11.556 -19.243 384 HD2 LYS 52 HD2 LYS 52 -8.940 -9.681 -18.321 385 HD3 LYS 52 HD3 LYS 52 -9.352 -9.150 -19.953 386 HE2 LYS 52 HE2 LYS 52 -11.298 -8.932 -18.573 387 HE3 LYS 52 HE3 LYS 52 -11.559 -10.267 -19.693 388 HZ1 LYS 52 HZ1 LYS 52 -11.682 -11.731 -18.029 389 HZ2 LYS 52 HZ2 LYS 52 -11.929 -10.391 -17.027 390 HZ3 LYS 52 HZ3 LYS 52 -10.382 -11.055 -17.184 391 H HIS 53 H HIS 53 -9.177 -12.666 -24.160 392 HA HIS 53 HA HIS 53 -8.319 -10.557 -25.783 393 HB2 HIS 53 HB2 HIS 53 -7.883 -13.106 -25.984 394 HB3 HIS 53 HB3 HIS 53 -9.371 -13.132 -26.925 395 HD1 HIS 53 HD1 HIS 53 -7.824 -13.906 -28.941 396 HD2 HIS 53 HD2 HIS 53 -7.185 -10.036 -27.570 397 HE1 HIS 53 HE1 HIS 53 -6.501 -12.762 -30.748 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 4.006 -14.448 -6.777 2 HA2 GLY 1 HA2 GLY 1 5.484 -13.221 -8.402 3 HA3 GLY 1 HA3 GLY 1 4.058 -12.307 -7.932 4 HA PRO 2 HA PRO 2 7.824 -9.701 -7.154 5 HB2 PRO 2 HB2 PRO 2 6.844 -7.487 -8.383 6 HB3 PRO 2 HB3 PRO 2 7.716 -8.759 -9.247 7 HG2 PRO 2 HG2 PRO 2 4.766 -8.297 -9.030 8 HG3 PRO 2 HG3 PRO 2 5.728 -8.740 -10.453 9 HD2 PRO 2 HD2 PRO 2 4.289 -10.551 -9.045 10 HD3 PRO 2 HD3 PRO 2 5.811 -10.966 -9.859 11 H LEU 3 H LEU 3 7.978 -7.768 -5.852 12 HA LEU 3 HA LEU 3 6.244 -7.716 -3.670 13 HB2 LEU 3 HB2 LEU 3 8.656 -6.541 -4.350 14 HB3 LEU 3 HB3 LEU 3 7.569 -5.172 -4.130 15 HG LEU 3 HG LEU 3 6.997 -6.266 -1.867 16 HD11 LEU 3 HD11 LEU 3 9.724 -7.445 -2.028 17 HD12 LEU 3 HD12 LEU 3 8.363 -8.360 -2.675 18 HD13 LEU 3 HD13 LEU 3 8.368 -7.868 -0.982 19 HD21 LEU 3 HD21 LEU 3 9.528 -5.422 -1.188 20 HD22 LEU 3 HD22 LEU 3 8.104 -4.396 -1.364 21 HD23 LEU 3 HD23 LEU 3 9.221 -4.593 -2.715 22 H GLY 4 H GLY 4 4.234 -6.993 -3.494 23 HA2 GLY 4 HA2 GLY 4 3.026 -4.730 -3.708 24 HA3 GLY 4 HA3 GLY 4 3.294 -4.979 -5.426 25 H SER 5 H SER 5 2.350 -6.941 -6.389 26 HA SER 5 HA SER 5 -0.384 -7.150 -5.799 27 HB2 SER 5 HB2 SER 5 1.445 -8.895 -7.454 28 HB3 SER 5 HB3 SER 5 -0.298 -9.150 -7.359 29 HG SER 5 HG SER 5 -0.073 -7.840 -9.071 30 H GLU 6 H GLU 6 2.349 -9.227 -4.961 31 HA GLU 6 HA GLU 6 2.593 -10.876 -3.412 32 HB2 GLU 6 HB2 GLU 6 0.937 -8.987 -2.226 33 HB3 GLU 6 HB3 GLU 6 0.088 -10.506 -1.977 34 HG2 GLU 6 HG2 GLU 6 1.388 -10.427 -0.104 35 HG3 GLU 6 HG3 GLU 6 2.429 -11.348 -1.187 36 H ALA 7 H ALA 7 1.347 -12.822 -2.390 37 HA ALA 7 HA ALA 7 -0.817 -13.772 -4.098 38 HB1 ALA 7 HB1 ALA 7 0.930 -14.630 -5.378 39 HB2 ALA 7 HB2 ALA 7 1.902 -15.026 -3.960 40 HB3 ALA 7 HB3 ALA 7 0.471 -15.982 -4.343 41 H ASP 8 H ASP 8 -1.163 -16.272 -3.327 42 HA ASP 8 HA ASP 8 -1.206 -16.213 -0.382 43 HB2 ASP 8 HB2 ASP 8 -3.418 -16.323 -2.231 44 HB3 ASP 8 HB3 ASP 8 -3.385 -17.775 -1.234 45 HA PRO 9 HA PRO 9 0.520 -20.244 -0.368 46 HB2 PRO 9 HB2 PRO 9 -0.784 -21.431 1.696 47 HB3 PRO 9 HB3 PRO 9 0.433 -20.170 1.926 48 HG2 PRO 9 HG2 PRO 9 -2.552 -19.946 1.936 49 HG3 PRO 9 HG3 PRO 9 -1.370 -19.199 3.028 50 HD2 PRO 9 HD2 PRO 9 -2.520 -17.849 0.981 51 HD3 PRO 9 HD3 PRO 9 -0.865 -17.518 1.534 52 H ARG 10 H ARG 10 -3.004 -20.079 -0.360 53 HA ARG 10 HA ARG 10 -3.225 -22.795 -1.384 54 HB2 ARG 10 HB2 ARG 10 -5.042 -20.831 -0.165 55 HB3 ARG 10 HB3 ARG 10 -5.757 -21.764 -1.474 56 HG2 ARG 10 HG2 ARG 10 -6.235 -22.919 0.528 57 HG3 ARG 10 HG3 ARG 10 -4.966 -23.834 -0.289 58 HD2 ARG 10 HD2 ARG 10 -3.336 -23.165 1.221 59 HD3 ARG 10 HD3 ARG 10 -4.259 -21.756 1.743 60 HE ARG 10 HE ARG 10 -5.698 -24.044 2.443 61 HH11 ARG 10 HH11 ARG 10 -2.709 -22.454 3.255 62 HH12 ARG 10 HH12 ARG 10 -2.679 -23.054 4.880 63 HH21 ARG 10 HH21 ARG 10 -5.670 -24.840 4.581 64 HH22 ARG 10 HH22 ARG 10 -4.364 -24.412 5.633 65 H LEU 11 H LEU 11 -2.217 -20.184 -2.806 66 HA LEU 11 HA LEU 11 -3.792 -20.602 -5.262 67 HB2 LEU 11 HB2 LEU 11 -4.206 -18.393 -4.463 68 HB3 LEU 11 HB3 LEU 11 -2.487 -18.104 -4.204 69 HG LEU 11 HG LEU 11 -2.200 -18.271 -6.705 70 HD11 LEU 11 HD11 LEU 11 -5.112 -18.666 -6.479 71 HD12 LEU 11 HD12 LEU 11 -3.979 -19.223 -7.710 72 HD13 LEU 11 HD13 LEU 11 -4.574 -17.563 -7.746 73 HD21 LEU 11 HD21 LEU 11 -2.498 -16.148 -5.243 74 HD22 LEU 11 HD22 LEU 11 -4.077 -16.044 -6.022 75 HD23 LEU 11 HD23 LEU 11 -2.608 -16.012 -6.999 76 H ILE 12 H ILE 12 -0.589 -19.659 -4.034 77 HA ILE 12 HA ILE 12 0.851 -19.778 -6.389 78 HB ILE 12 HB ILE 12 2.835 -20.255 -5.027 79 HG12 ILE 12 HG12 ILE 12 2.116 -20.239 -2.418 80 HG13 ILE 12 HG13 ILE 12 0.763 -21.134 -3.103 81 HG21 ILE 12 HG21 ILE 12 2.683 -18.046 -4.764 82 HG22 ILE 12 HG22 ILE 12 0.937 -18.115 -4.533 83 HG23 ILE 12 HG23 ILE 12 2.018 -18.387 -3.167 84 HD11 ILE 12 HD11 ILE 12 2.018 -22.949 -2.993 85 HD12 ILE 12 HD12 ILE 12 3.038 -22.255 -4.253 86 HD13 ILE 12 HD13 ILE 12 3.441 -22.004 -2.554 87 H GLU 13 H GLU 13 -0.367 -22.380 -4.413 88 HA GLU 13 HA GLU 13 1.211 -24.500 -5.241 89 HB2 GLU 13 HB2 GLU 13 -0.755 -25.935 -4.749 90 HB3 GLU 13 HB3 GLU 13 -0.411 -24.773 -3.476 91 HG2 GLU 13 HG2 GLU 13 -2.607 -24.373 -3.575 92 HG3 GLU 13 HG3 GLU 13 -2.176 -23.369 -4.958 93 H SER 14 H SER 14 -1.628 -23.085 -6.808 94 HA SER 14 HA SER 14 -1.680 -24.979 -8.945 95 HB2 SER 14 HB2 SER 14 -2.994 -22.281 -8.583 96 HB3 SER 14 HB3 SER 14 -3.254 -23.301 -9.998 97 HG SER 14 HG SER 14 -4.622 -24.397 -8.860 98 H LEU 15 H LEU 15 -0.637 -21.585 -8.703 99 HA LEU 15 HA LEU 15 0.179 -21.136 -11.285 100 HB2 LEU 15 HB2 LEU 15 1.359 -20.202 -8.682 101 HB3 LEU 15 HB3 LEU 15 1.935 -19.626 -10.245 102 HG LEU 15 HG LEU 15 -0.940 -19.343 -9.984 103 HD11 LEU 15 HD11 LEU 15 -0.629 -19.055 -7.659 104 HD12 LEU 15 HD12 LEU 15 -0.749 -17.435 -8.347 105 HD13 LEU 15 HD13 LEU 15 0.827 -18.089 -7.899 106 HD21 LEU 15 HD21 LEU 15 0.815 -16.990 -10.177 107 HD22 LEU 15 HD22 LEU 15 -0.548 -17.480 -11.184 108 HD23 LEU 15 HD23 LEU 15 1.039 -18.209 -11.434 109 H SER 16 H SER 16 2.005 -22.708 -8.687 110 HA SER 16 HA SER 16 4.459 -23.009 -9.893 111 HB2 SER 16 HB2 SER 16 3.515 -23.806 -7.548 112 HB3 SER 16 HB3 SER 16 3.349 -25.345 -8.394 113 HG SER 16 HG SER 16 5.387 -25.159 -7.389 114 H GLN 17 H GLN 17 1.495 -24.766 -10.501 115 HA GLN 17 HA GLN 17 2.760 -26.756 -12.156 116 HB2 GLN 17 HB2 GLN 17 -0.186 -26.135 -12.056 117 HB3 GLN 17 HB3 GLN 17 0.588 -27.655 -12.483 118 HG2 GLN 17 HG2 GLN 17 1.464 -27.117 -9.901 119 HG3 GLN 17 HG3 GLN 17 -0.241 -26.667 -9.906 120 HE21 GLN 17 HE21 GLN 17 -0.845 -28.370 -8.599 121 HE22 GLN 17 HE22 GLN 17 -0.862 -30.008 -9.148 122 H MET 18 H MET 18 0.891 -23.801 -12.648 123 HA MET 18 HA MET 18 0.670 -24.037 -15.462 124 HB2 MET 18 HB2 MET 18 0.656 -21.485 -13.847 125 HB3 MET 18 HB3 MET 18 -0.056 -21.741 -15.434 126 HG2 MET 18 HG2 MET 18 -1.094 -23.616 -13.502 127 HG3 MET 18 HG3 MET 18 -1.319 -21.950 -12.975 128 HE1 MET 18 HE1 MET 18 -2.743 -23.715 -16.941 129 HE2 MET 18 HE2 MET 18 -1.447 -22.523 -17.051 130 HE3 MET 18 HE3 MET 18 -1.210 -23.999 -16.116 131 H LEU 19 H LEU 19 2.757 -21.906 -13.498 132 HA LEU 19 HA LEU 19 4.311 -20.908 -15.566 133 HB2 LEU 19 HB2 LEU 19 5.317 -21.505 -12.793 134 HB3 LEU 19 HB3 LEU 19 5.912 -20.277 -13.909 135 HG LEU 19 HG LEU 19 3.249 -20.268 -12.489 136 HD11 LEU 19 HD11 LEU 19 4.957 -18.000 -12.042 137 HD12 LEU 19 HD12 LEU 19 5.788 -19.494 -11.612 138 HD13 LEU 19 HD13 LEU 19 4.233 -19.108 -10.876 139 HD21 LEU 19 HD21 LEU 19 3.183 -19.304 -14.782 140 HD22 LEU 19 HD22 LEU 19 4.435 -18.163 -14.292 141 HD23 LEU 19 HD23 LEU 19 2.857 -18.131 -13.505 142 H SER 20 H SER 20 4.555 -23.943 -13.832 143 HA SER 20 HA SER 20 7.111 -24.635 -14.962 144 HB2 SER 20 HB2 SER 20 6.365 -25.464 -12.736 145 HB3 SER 20 HB3 SER 20 5.113 -26.411 -13.540 146 HG SER 20 HG SER 20 6.695 -27.843 -13.464 147 H MET 21 H MET 21 3.774 -25.050 -15.803 148 HA MET 21 HA MET 21 4.236 -27.172 -17.693 149 HB2 MET 21 HB2 MET 21 1.915 -25.612 -16.733 150 HB3 MET 21 HB3 MET 21 1.808 -26.197 -18.388 151 HG2 MET 21 HG2 MET 21 2.271 -28.480 -17.572 152 HG3 MET 21 HG3 MET 21 2.257 -27.860 -15.923 153 HE1 MET 21 HE1 MET 21 0.035 -26.489 -14.965 154 HE2 MET 21 HE2 MET 21 -0.066 -25.585 -16.477 155 HE3 MET 21 HE3 MET 21 -1.485 -26.431 -15.858 156 H GLY 22 H GLY 22 4.068 -23.679 -17.755 157 HA2 GLY 22 HA2 GLY 22 5.522 -22.870 -19.711 158 HA3 GLY 22 HA3 GLY 22 4.335 -23.720 -20.689 159 H PHE 23 H PHE 23 3.990 -21.610 -17.845 160 HA PHE 23 HA PHE 23 2.540 -19.680 -19.503 161 HB2 PHE 23 HB2 PHE 23 1.479 -20.927 -16.961 162 HB3 PHE 23 HB3 PHE 23 0.779 -19.506 -17.730 163 HD1 PHE 23 HD1 PHE 23 1.250 -23.122 -17.947 164 HD2 PHE 23 HD2 PHE 23 -0.462 -19.690 -19.793 165 HE1 PHE 23 HE1 PHE 23 -0.126 -24.580 -19.374 166 HE2 PHE 23 HE2 PHE 23 -1.841 -21.142 -21.222 167 HZ PHE 23 HZ PHE 23 -1.675 -23.590 -21.013 168 H SER 24 H SER 24 1.882 -17.746 -17.945 169 HA SER 24 HA SER 24 3.981 -17.210 -15.990 170 HB2 SER 24 HB2 SER 24 4.380 -16.346 -18.536 171 HB3 SER 24 HB3 SER 24 3.511 -14.969 -17.858 172 HG SER 24 HG SER 24 5.657 -14.638 -17.444 173 H ASP 25 H ASP 25 3.523 -14.582 -15.485 174 HA ASP 25 HA ASP 25 0.642 -14.398 -14.919 175 HB2 ASP 25 HB2 ASP 25 1.165 -13.502 -12.680 176 HB3 ASP 25 HB3 ASP 25 1.748 -15.152 -12.879 177 H GLU 26 H GLU 26 2.232 -13.158 -17.003 178 HA GLU 26 HA GLU 26 3.044 -10.567 -16.510 179 HB2 GLU 26 HB2 GLU 26 1.596 -11.591 -18.960 180 HB3 GLU 26 HB3 GLU 26 2.535 -10.107 -18.875 181 HG2 GLU 26 HG2 GLU 26 3.861 -12.659 -18.134 182 HG3 GLU 26 HG3 GLU 26 3.551 -12.332 -19.838 183 H GLY 27 H GLY 27 2.011 -8.934 -15.582 184 HA2 GLY 27 HA2 GLY 27 0.368 -7.295 -15.368 185 HA3 GLY 27 HA3 GLY 27 -0.663 -8.223 -16.447 186 H GLY 28 H GLY 28 -0.993 -10.593 -15.258 187 HA2 GLY 28 HA2 GLY 28 -1.320 -11.283 -12.804 188 HA3 GLY 28 HA3 GLY 28 -2.334 -9.849 -12.744 189 H TRP 29 H TRP 29 -1.987 -12.416 -15.185 190 HA TRP 29 HA TRP 29 -4.898 -12.678 -15.224 191 HB2 TRP 29 HB2 TRP 29 -4.666 -13.711 -17.346 192 HB3 TRP 29 HB3 TRP 29 -3.517 -12.376 -17.340 193 HD1 TRP 29 HD1 TRP 29 -0.897 -13.014 -17.206 194 HE1 TRP 29 HE1 TRP 29 0.355 -15.171 -17.842 195 HE3 TRP 29 HE3 TRP 29 -4.866 -16.231 -17.399 196 HZ2 TRP 29 HZ2 TRP 29 -0.258 -17.877 -18.357 197 HZ3 TRP 29 HZ3 TRP 29 -4.447 -18.587 -17.971 198 HH2 TRP 29 HH2 TRP 29 -2.190 -19.391 -18.440 199 H LEU 30 H LEU 30 -2.106 -14.282 -14.070 200 HA LEU 30 HA LEU 30 -3.579 -16.801 -13.730 201 HB2 LEU 30 HB2 LEU 30 -1.247 -16.689 -14.789 202 HB3 LEU 30 HB3 LEU 30 -0.664 -16.385 -13.154 203 HG LEU 30 HG LEU 30 -1.630 -18.559 -12.455 204 HD11 LEU 30 HD11 LEU 30 -3.137 -18.414 -14.691 205 HD12 LEU 30 HD12 LEU 30 -2.815 -19.906 -13.809 206 HD13 LEU 30 HD13 LEU 30 -1.856 -19.499 -15.232 207 HD21 LEU 30 HD21 LEU 30 0.707 -18.046 -13.882 208 HD22 LEU 30 HD22 LEU 30 0.047 -19.516 -14.597 209 HD23 LEU 30 HD23 LEU 30 0.366 -19.446 -12.864 210 H THR 31 H THR 31 -3.161 -14.029 -12.112 211 HA THR 31 HA THR 31 -2.652 -15.182 -9.484 212 HB THR 31 HB THR 31 -1.593 -13.042 -9.972 213 HG1 THR 31 HG1 THR 31 -1.947 -12.965 -7.868 214 HG21 THR 31 HG21 THR 31 -2.621 -11.311 -10.953 215 HG22 THR 31 HG22 THR 31 -4.003 -11.409 -9.862 216 HG23 THR 31 HG23 THR 31 -3.938 -12.433 -11.297 217 H ARG 32 H ARG 32 -5.292 -14.235 -11.473 218 HA ARG 32 HA ARG 32 -7.127 -14.528 -9.186 219 HB2 ARG 32 HB2 ARG 32 -7.604 -12.972 -11.734 220 HB3 ARG 32 HB3 ARG 32 -8.710 -13.102 -10.373 221 HG2 ARG 32 HG2 ARG 32 -6.033 -12.108 -9.697 222 HG3 ARG 32 HG3 ARG 32 -6.979 -11.062 -10.759 223 HD2 ARG 32 HD2 ARG 32 -8.600 -12.089 -8.606 224 HD3 ARG 32 HD3 ARG 32 -7.167 -11.275 -7.981 225 HE ARG 32 HE ARG 32 -8.126 -9.545 -9.837 226 HH11 ARG 32 HH11 ARG 32 -9.522 -11.155 -7.084 227 HH12 ARG 32 HH12 ARG 32 -10.654 -9.886 -6.751 228 HH21 ARG 32 HH21 ARG 32 -9.611 -7.867 -9.409 229 HH22 ARG 32 HH22 ARG 32 -10.704 -8.017 -8.075 230 H LEU 33 H LEU 33 -6.302 -15.519 -12.407 231 HA LEU 33 HA LEU 33 -8.607 -16.747 -13.288 232 HB2 LEU 33 HB2 LEU 33 -6.857 -16.703 -14.808 233 HB3 LEU 33 HB3 LEU 33 -5.703 -17.359 -13.649 234 HG LEU 33 HG LEU 33 -6.663 -19.566 -13.885 235 HD11 LEU 33 HD11 LEU 33 -8.372 -19.781 -15.844 236 HD12 LEU 33 HD12 LEU 33 -8.733 -18.099 -15.455 237 HD13 LEU 33 HD13 LEU 33 -8.927 -19.349 -14.226 238 HD21 LEU 33 HD21 LEU 33 -6.237 -19.892 -16.363 239 HD22 LEU 33 HD22 LEU 33 -4.938 -19.143 -15.434 240 HD23 LEU 33 HD23 LEU 33 -5.984 -18.148 -16.448 241 H LEU 34 H LEU 34 -6.024 -18.213 -11.319 242 HA LEU 34 HA LEU 34 -7.243 -20.712 -10.983 243 HB2 LEU 34 HB2 LEU 34 -5.238 -19.190 -9.348 244 HB3 LEU 34 HB3 LEU 34 -5.795 -20.795 -8.879 245 HG LEU 34 HG LEU 34 -3.708 -21.053 -9.985 246 HD11 LEU 34 HD11 LEU 34 -5.852 -21.730 -11.990 247 HD12 LEU 34 HD12 LEU 34 -5.502 -22.673 -10.542 248 HD13 LEU 34 HD13 LEU 34 -4.281 -22.509 -11.803 249 HD21 LEU 34 HD21 LEU 34 -4.175 -18.756 -11.248 250 HD22 LEU 34 HD22 LEU 34 -4.620 -19.868 -12.543 251 HD23 LEU 34 HD23 LEU 34 -3.006 -19.939 -11.836 252 H GLN 35 H GLN 35 -7.347 -17.804 -8.947 253 HA GLN 35 HA GLN 35 -8.830 -18.789 -6.829 254 HB2 GLN 35 HB2 GLN 35 -8.969 -16.030 -8.057 255 HB3 GLN 35 HB3 GLN 35 -9.557 -16.460 -6.457 256 HG2 GLN 35 HG2 GLN 35 -7.272 -17.068 -5.798 257 HG3 GLN 35 HG3 GLN 35 -6.699 -16.578 -7.391 258 HE21 GLN 35 HE21 GLN 35 -7.621 -15.559 -4.265 259 HE22 GLN 35 HE22 GLN 35 -7.351 -13.867 -4.486 260 H THR 36 H THR 36 -9.885 -17.786 -10.016 261 HA THR 36 HA THR 36 -12.687 -17.884 -9.366 262 HB THR 36 HB THR 36 -12.497 -18.059 -12.133 263 HG1 THR 36 HG1 THR 36 -10.870 -16.438 -12.574 264 HG21 THR 36 HG21 THR 36 -12.847 -15.834 -10.168 265 HG22 THR 36 HG22 THR 36 -14.015 -16.533 -11.289 266 HG23 THR 36 HG23 THR 36 -12.745 -15.466 -11.889 267 H LYS 37 H LYS 37 -10.284 -20.126 -10.395 268 HA LYS 37 HA LYS 37 -12.326 -22.095 -11.153 269 HB2 LYS 37 HB2 LYS 37 -9.325 -22.205 -11.506 270 HB3 LYS 37 HB3 LYS 37 -10.476 -23.394 -12.100 271 HG2 LYS 37 HG2 LYS 37 -10.211 -20.530 -12.986 272 HG3 LYS 37 HG3 LYS 37 -9.801 -21.977 -13.911 273 HD2 LYS 37 HD2 LYS 37 -12.297 -22.606 -13.520 274 HD3 LYS 37 HD3 LYS 37 -12.492 -20.882 -13.192 275 HE2 LYS 37 HE2 LYS 37 -11.859 -20.281 -15.359 276 HE3 LYS 37 HE3 LYS 37 -11.105 -21.844 -15.671 277 HZ1 LYS 37 HZ1 LYS 37 -13.523 -22.701 -15.338 278 HZ2 LYS 37 HZ2 LYS 37 -13.055 -22.039 -16.824 279 HZ3 LYS 37 HZ3 LYS 37 -13.947 -21.110 -15.728 280 H ASN 38 H ASN 38 -11.277 -21.140 -8.385 281 HA ASN 38 HA ASN 38 -10.988 -22.056 -6.324 282 HB2 ASN 38 HB2 ASN 38 -12.975 -23.425 -7.214 283 HB3 ASN 38 HB3 ASN 38 -11.805 -24.714 -7.484 284 HD21 ASN 38 HD21 ASN 38 -11.716 -26.134 -5.917 285 HD22 ASN 38 HD22 ASN 38 -12.015 -25.832 -4.242 286 H TYR 39 H TYR 39 -8.713 -21.862 -7.904 287 HA TYR 39 HA TYR 39 -6.557 -22.569 -8.066 288 HB2 TYR 39 HB2 TYR 39 -7.087 -24.360 -5.705 289 HB3 TYR 39 HB3 TYR 39 -5.594 -23.535 -6.140 290 HD1 TYR 39 HD1 TYR 39 -6.118 -20.815 -6.418 291 HD2 TYR 39 HD2 TYR 39 -8.041 -23.544 -3.780 292 HE1 TYR 39 HE1 TYR 39 -6.712 -18.949 -4.930 293 HE2 TYR 39 HE2 TYR 39 -8.641 -21.685 -2.285 294 HH TYR 39 HH TYR 39 -9.001 -19.077 -2.644 295 H ASP 40 H ASP 40 -7.851 -23.764 -9.946 296 HA ASP 40 HA ASP 40 -7.288 -26.646 -9.731 297 HB2 ASP 40 HB2 ASP 40 -9.456 -25.114 -10.977 298 HB3 ASP 40 HB3 ASP 40 -8.770 -26.348 -12.029 299 H ILE 41 H ILE 41 -6.242 -27.705 -11.464 300 HA ILE 41 HA ILE 41 -4.493 -25.924 -13.009 301 HB ILE 41 HB ILE 41 -4.090 -28.887 -12.759 302 HG12 ILE 41 HG12 ILE 41 -4.336 -28.091 -10.473 303 HG13 ILE 41 HG13 ILE 41 -2.642 -28.443 -10.797 304 HG21 ILE 41 HG21 ILE 41 -2.778 -26.900 -14.149 305 HG22 ILE 41 HG22 ILE 41 -1.778 -27.129 -12.715 306 HG23 ILE 41 HG23 ILE 41 -2.138 -28.498 -13.766 307 HD11 ILE 41 HD11 ILE 41 -2.157 -26.102 -11.043 308 HD12 ILE 41 HD12 ILE 41 -3.865 -25.697 -10.874 309 HD13 ILE 41 HD13 ILE 41 -2.980 -26.377 -9.508 310 H GLY 42 H GLY 42 -6.912 -28.418 -13.315 311 HA2 GLY 42 HA2 GLY 42 -6.447 -28.808 -16.145 312 HA3 GLY 42 HA3 GLY 42 -7.734 -29.526 -15.188 313 H ALA 43 H ALA 43 -8.323 -26.691 -14.188 314 HA ALA 43 HA ALA 43 -10.172 -26.053 -16.348 315 HB1 ALA 43 HB1 ALA 43 -11.291 -26.076 -14.315 316 HB2 ALA 43 HB2 ALA 43 -9.975 -25.263 -13.467 317 HB3 ALA 43 HB3 ALA 43 -10.997 -24.358 -14.584 318 H ALA 44 H ALA 44 -7.394 -24.701 -14.689 319 HA ALA 44 HA ALA 44 -7.607 -22.122 -15.941 320 HB1 ALA 44 HB1 ALA 44 -5.194 -23.280 -14.562 321 HB2 ALA 44 HB2 ALA 44 -5.579 -21.579 -14.823 322 HB3 ALA 44 HB3 ALA 44 -6.547 -22.540 -13.705 323 H LEU 45 H LEU 45 -6.391 -25.170 -16.854 324 HA LEU 45 HA LEU 45 -4.350 -24.249 -18.642 325 HB2 LEU 45 HB2 LEU 45 -5.667 -26.857 -18.061 326 HB3 LEU 45 HB3 LEU 45 -4.761 -26.680 -19.562 327 HG LEU 45 HG LEU 45 -3.552 -26.109 -16.867 328 HD11 LEU 45 HD11 LEU 45 -2.745 -28.307 -16.727 329 HD12 LEU 45 HD12 LEU 45 -3.237 -28.685 -18.377 330 HD13 LEU 45 HD13 LEU 45 -4.456 -28.474 -17.120 331 HD21 LEU 45 HD21 LEU 45 -1.756 -27.085 -18.853 332 HD22 LEU 45 HD22 LEU 45 -1.773 -25.515 -18.049 333 HD23 LEU 45 HD23 LEU 45 -2.692 -25.754 -19.536 334 H ASP 46 H ASP 46 -7.759 -24.569 -18.791 335 HA ASP 46 HA ASP 46 -7.708 -24.283 -21.721 336 HB2 ASP 46 HB2 ASP 46 -9.203 -26.008 -20.111 337 HB3 ASP 46 HB3 ASP 46 -10.341 -24.754 -20.596 338 H THR 47 H THR 47 -7.289 -22.179 -19.659 339 HA THR 47 HA THR 47 -9.589 -20.450 -20.300 340 HB THR 47 HB THR 47 -7.651 -19.899 -18.066 341 HG1 THR 47 HG1 THR 47 -10.122 -21.125 -17.543 342 HG21 THR 47 HG21 THR 47 -9.848 -18.845 -17.178 343 HG22 THR 47 HG22 THR 47 -10.387 -18.961 -18.852 344 HG23 THR 47 HG23 THR 47 -8.956 -18.012 -18.450 345 H ILE 48 H ILE 48 -6.868 -21.066 -21.662 346 HA ILE 48 HA ILE 48 -6.061 -18.250 -21.994 347 HB ILE 48 HB ILE 48 -4.175 -20.420 -22.750 348 HG12 ILE 48 HG12 ILE 48 -3.335 -20.058 -20.243 349 HG13 ILE 48 HG13 ILE 48 -5.056 -19.811 -19.970 350 HG21 ILE 48 HG21 ILE 48 -2.676 -18.594 -21.565 351 HG22 ILE 48 HG22 ILE 48 -3.243 -18.393 -23.222 352 HG23 ILE 48 HG23 ILE 48 -4.076 -17.576 -21.900 353 HD11 ILE 48 HD11 ILE 48 -3.650 -22.238 -20.160 354 HD12 ILE 48 HD12 ILE 48 -5.383 -21.993 -19.949 355 HD13 ILE 48 HD13 ILE 48 -4.704 -22.138 -21.570 356 H GLN 49 H GLN 49 -6.855 -21.273 -23.549 357 HA GLN 49 HA GLN 49 -6.078 -20.824 -26.153 358 HB2 GLN 49 HB2 GLN 49 -8.652 -22.119 -25.236 359 HB3 GLN 49 HB3 GLN 49 -7.912 -22.313 -26.820 360 HG2 GLN 49 HG2 GLN 49 -6.400 -23.026 -24.343 361 HG3 GLN 49 HG3 GLN 49 -7.581 -24.141 -25.030 362 HE21 GLN 49 HE21 GLN 49 -4.489 -22.647 -25.408 363 HE22 GLN 49 HE22 GLN 49 -3.960 -23.593 -26.754 364 H TYR 50 H TYR 50 -9.100 -19.799 -24.589 365 HA TYR 50 HA TYR 50 -9.260 -17.479 -26.273 366 HB2 TYR 50 HB2 TYR 50 -11.345 -17.985 -27.367 367 HB3 TYR 50 HB3 TYR 50 -10.205 -19.275 -27.731 368 HD1 TYR 50 HD1 TYR 50 -10.504 -21.505 -26.782 369 HD2 TYR 50 HD2 TYR 50 -13.298 -18.393 -25.999 370 HE1 TYR 50 HE1 TYR 50 -12.120 -23.170 -25.965 371 HE2 TYR 50 HE2 TYR 50 -14.921 -20.049 -25.178 372 HH TYR 50 HH TYR 50 -15.271 -22.186 -24.663 373 H SER 51 H SER 51 -10.246 -15.873 -25.212 374 HA SER 51 HA SER 51 -12.487 -16.109 -23.552 375 HB2 SER 51 HB2 SER 51 -11.291 -15.609 -21.345 376 HB3 SER 51 HB3 SER 51 -11.201 -17.269 -21.933 377 HG SER 51 HG SER 51 -9.131 -16.622 -22.876 378 H LYS 52 H LYS 52 -12.414 -14.081 -21.883 379 HA LYS 52 HA LYS 52 -11.431 -11.794 -23.462 380 HB2 LYS 52 HB2 LYS 52 -13.945 -11.905 -21.785 381 HB3 LYS 52 HB3 LYS 52 -13.388 -10.532 -22.734 382 HG2 LYS 52 HG2 LYS 52 -13.498 -12.621 -24.554 383 HG3 LYS 52 HG3 LYS 52 -14.929 -12.838 -23.544 384 HD2 LYS 52 HD2 LYS 52 -15.612 -10.549 -23.975 385 HD3 LYS 52 HD3 LYS 52 -14.144 -10.264 -24.913 386 HE2 LYS 52 HE2 LYS 52 -14.837 -11.810 -26.597 387 HE3 LYS 52 HE3 LYS 52 -16.189 -12.364 -25.611 388 HZ1 LYS 52 HZ1 LYS 52 -16.456 -10.564 -27.521 389 HZ2 LYS 52 HZ2 LYS 52 -16.104 -9.520 -26.237 390 HZ3 LYS 52 HZ3 LYS 52 -17.428 -10.567 -26.137 391 H HIS 53 H HIS 53 -12.385 -12.832 -20.196 392 HA HIS 53 HA HIS 53 -11.387 -10.679 -18.761 393 HB2 HIS 53 HB2 HIS 53 -11.583 -13.598 -18.006 394 HB3 HIS 53 HB3 HIS 53 -11.158 -12.327 -16.864 395 HD1 HIS 53 HD1 HIS 53 -13.255 -12.620 -15.437 396 HD2 HIS 53 HD2 HIS 53 -14.066 -11.789 -19.426 397 HE1 HIS 53 HE1 HIS 53 -15.714 -12.102 -15.529 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 1.423 -1.418 -7.611 2 HA2 GLY 1 HA2 GLY 1 2.091 1.169 -8.266 3 HA3 GLY 1 HA3 GLY 1 1.772 1.210 -6.538 4 HA PRO 2 HA PRO 2 5.792 -0.259 -5.618 5 HB2 PRO 2 HB2 PRO 2 5.383 -2.096 -3.662 6 HB3 PRO 2 HB3 PRO 2 5.183 -0.358 -3.405 7 HG2 PRO 2 HG2 PRO 2 3.104 -2.446 -3.935 8 HG3 PRO 2 HG3 PRO 2 3.074 -1.106 -2.774 9 HD2 PRO 2 HD2 PRO 2 1.788 -1.000 -5.154 10 HD3 PRO 2 HD3 PRO 2 2.483 0.438 -4.379 11 H LEU 3 H LEU 3 7.071 -2.407 -5.169 12 HA LEU 3 HA LEU 3 6.177 -4.420 -7.127 13 HB2 LEU 3 HB2 LEU 3 8.122 -2.969 -7.817 14 HB3 LEU 3 HB3 LEU 3 9.039 -3.721 -6.513 15 HG LEU 3 HG LEU 3 8.378 -5.942 -7.738 16 HD11 LEU 3 HD11 LEU 3 7.862 -5.834 -9.971 17 HD12 LEU 3 HD12 LEU 3 8.506 -4.203 -10.155 18 HD13 LEU 3 HD13 LEU 3 6.957 -4.454 -9.351 19 HD21 LEU 3 HD21 LEU 3 10.489 -5.972 -8.695 20 HD22 LEU 3 HD22 LEU 3 10.653 -4.744 -7.439 21 HD23 LEU 3 HD23 LEU 3 10.432 -4.261 -9.121 22 H GLY 4 H GLY 4 5.416 -6.027 -5.863 23 HA2 GLY 4 HA2 GLY 4 7.008 -7.884 -4.662 24 HA3 GLY 4 HA3 GLY 4 6.667 -6.740 -3.372 25 H SER 5 H SER 5 5.118 -8.838 -5.769 26 HA SER 5 HA SER 5 2.598 -8.755 -4.340 27 HB2 SER 5 HB2 SER 5 3.433 -9.412 -6.992 28 HB3 SER 5 HB3 SER 5 2.597 -10.809 -6.312 29 HG SER 5 HG SER 5 0.933 -9.214 -5.680 30 H GLU 6 H GLU 6 1.632 -10.482 -3.277 31 HA GLU 6 HA GLU 6 3.497 -12.598 -2.440 32 HB2 GLU 6 HB2 GLU 6 2.083 -10.836 -0.883 33 HB3 GLU 6 HB3 GLU 6 1.045 -12.255 -0.866 34 HG2 GLU 6 HG2 GLU 6 2.324 -13.136 0.701 35 HG3 GLU 6 HG3 GLU 6 3.660 -13.186 -0.448 36 H ALA 7 H ALA 7 1.884 -14.467 -1.412 37 HA ALA 7 HA ALA 7 -0.243 -15.119 -3.270 38 HB1 ALA 7 HB1 ALA 7 0.857 -17.400 -3.698 39 HB2 ALA 7 HB2 ALA 7 1.451 -16.006 -4.602 40 HB3 ALA 7 HB3 ALA 7 2.358 -16.608 -3.215 41 H ASP 8 H ASP 8 -0.809 -17.637 -2.726 42 HA ASP 8 HA ASP 8 -0.892 -17.837 0.213 43 HB2 ASP 8 HB2 ASP 8 -3.080 -17.581 -1.650 44 HB3 ASP 8 HB3 ASP 8 -3.189 -19.114 -0.790 45 HA PRO 9 HA PRO 9 0.470 -21.991 -0.130 46 HB2 PRO 9 HB2 PRO 9 -0.962 -23.236 1.812 47 HB3 PRO 9 HB3 PRO 9 0.359 -22.115 2.162 48 HG2 PRO 9 HG2 PRO 9 -2.594 -21.626 2.177 49 HG3 PRO 9 HG3 PRO 9 -1.365 -21.089 3.337 50 HD2 PRO 9 HD2 PRO 9 -2.363 -19.464 1.415 51 HD3 PRO 9 HD3 PRO 9 -0.693 -19.333 2.004 52 H ARG 10 H ARG 10 -3.026 -21.513 -0.124 53 HA ARG 10 HA ARG 10 -3.471 -24.095 -1.394 54 HB2 ARG 10 HB2 ARG 10 -5.156 -22.053 -0.071 55 HB3 ARG 10 HB3 ARG 10 -5.909 -22.927 -1.398 56 HG2 ARG 10 HG2 ARG 10 -6.482 -24.213 0.421 57 HG3 ARG 10 HG3 ARG 10 -5.038 -25.037 -0.170 58 HD2 ARG 10 HD2 ARG 10 -3.792 -24.428 1.624 59 HD3 ARG 10 HD3 ARG 10 -4.613 -22.879 1.803 60 HE ARG 10 HE ARG 10 -6.474 -24.761 2.513 61 HH11 ARG 10 HH11 ARG 10 -3.274 -23.892 3.573 62 HH12 ARG 10 HH12 ARG 10 -3.540 -24.391 5.210 63 HH21 ARG 10 HH21 ARG 10 -6.836 -25.421 4.666 64 HH22 ARG 10 HH22 ARG 10 -5.566 -25.261 5.831 65 H LEU 11 H LEU 11 -2.219 -21.469 -2.568 66 HA LEU 11 HA LEU 11 -3.799 -21.516 -5.055 67 HB2 LEU 11 HB2 LEU 11 -4.027 -19.361 -4.070 68 HB3 LEU 11 HB3 LEU 11 -2.295 -19.254 -3.759 69 HG LEU 11 HG LEU 11 -1.970 -19.220 -6.263 70 HD11 LEU 11 HD11 LEU 11 -4.897 -19.397 -6.112 71 HD12 LEU 11 HD12 LEU 11 -3.793 -19.861 -7.406 72 HD13 LEU 11 HD13 LEU 11 -4.276 -18.175 -7.221 73 HD21 LEU 11 HD21 LEU 11 -2.397 -16.870 -6.431 74 HD22 LEU 11 HD22 LEU 11 -1.889 -17.221 -4.779 75 HD23 LEU 11 HD23 LEU 11 -3.594 -16.944 -5.137 76 H ILE 12 H ILE 12 -0.539 -20.993 -3.733 77 HA ILE 12 HA ILE 12 0.908 -21.026 -6.090 78 HB ILE 12 HB ILE 12 2.830 -21.795 -4.769 79 HG12 ILE 12 HG12 ILE 12 2.094 -21.938 -2.172 80 HG13 ILE 12 HG13 ILE 12 0.667 -22.638 -2.929 81 HG21 ILE 12 HG21 ILE 12 2.902 -19.626 -4.282 82 HG22 ILE 12 HG22 ILE 12 1.147 -19.531 -4.144 83 HG23 ILE 12 HG23 ILE 12 2.115 -20.023 -2.754 84 HD11 ILE 12 HD11 ILE 12 2.883 -23.842 -4.156 85 HD12 ILE 12 HD12 ILE 12 3.211 -23.825 -2.423 86 HD13 ILE 12 HD13 ILE 12 1.732 -24.568 -3.034 87 H GLU 13 H GLU 13 -0.554 -23.670 -4.352 88 HA GLU 13 HA GLU 13 0.838 -25.844 -5.353 89 HB2 GLU 13 HB2 GLU 13 -1.393 -27.065 -5.114 90 HB3 GLU 13 HB3 GLU 13 -0.749 -26.287 -3.675 91 HG2 GLU 13 HG2 GLU 13 -2.339 -24.613 -3.704 92 HG3 GLU 13 HG3 GLU 13 -2.687 -24.833 -5.418 93 H SER 14 H SER 14 -1.715 -23.938 -6.851 94 HA SER 14 HA SER 14 -1.932 -25.664 -9.143 95 HB2 SER 14 HB2 SER 14 -3.039 -22.918 -8.534 96 HB3 SER 14 HB3 SER 14 -3.346 -23.769 -10.048 97 HG SER 14 HG SER 14 -4.777 -24.932 -9.055 98 H LEU 15 H LEU 15 -0.632 -22.402 -8.561 99 HA LEU 15 HA LEU 15 0.268 -21.773 -11.076 100 HB2 LEU 15 HB2 LEU 15 1.467 -21.195 -8.381 101 HB3 LEU 15 HB3 LEU 15 2.118 -20.518 -9.872 102 HG LEU 15 HG LEU 15 -0.728 -20.028 -9.626 103 HD11 LEU 15 HD11 LEU 15 -0.435 -20.012 -7.273 104 HD12 LEU 15 HD12 LEU 15 -0.445 -18.328 -7.796 105 HD13 LEU 15 HD13 LEU 15 1.081 -19.119 -7.400 106 HD21 LEU 15 HD21 LEU 15 -0.159 -18.090 -10.620 107 HD22 LEU 15 HD22 LEU 15 1.370 -18.918 -10.917 108 HD23 LEU 15 HD23 LEU 15 1.215 -17.819 -9.546 109 H SER 16 H SER 16 1.904 -23.743 -8.628 110 HA SER 16 HA SER 16 4.352 -24.120 -9.826 111 HB2 SER 16 HB2 SER 16 3.470 -25.014 -7.571 112 HB3 SER 16 HB3 SER 16 2.900 -26.401 -8.498 113 HG SER 16 HG SER 16 4.926 -27.008 -8.877 114 H GLN 17 H GLN 17 1.274 -25.595 -10.620 115 HA GLN 17 HA GLN 17 2.411 -27.492 -12.461 116 HB2 GLN 17 HB2 GLN 17 -0.480 -26.658 -12.322 117 HB3 GLN 17 HB3 GLN 17 0.182 -28.181 -12.899 118 HG2 GLN 17 HG2 GLN 17 1.060 -27.992 -10.273 119 HG3 GLN 17 HG3 GLN 17 -0.600 -27.398 -10.236 120 HE21 GLN 17 HE21 GLN 17 1.042 -29.923 -12.111 121 HE22 GLN 17 HE22 GLN 17 -0.041 -31.194 -11.669 122 H MET 18 H MET 18 0.801 -24.361 -12.669 123 HA MET 18 HA MET 18 0.595 -24.299 -15.494 124 HB2 MET 18 HB2 MET 18 0.780 -21.924 -13.638 125 HB3 MET 18 HB3 MET 18 0.063 -21.965 -15.243 126 HG2 MET 18 HG2 MET 18 -1.144 -23.921 -13.495 127 HG3 MET 18 HG3 MET 18 -1.239 -22.296 -12.820 128 HE1 MET 18 HE1 MET 18 -1.279 -24.069 -16.136 129 HE2 MET 18 HE2 MET 18 -2.756 -23.551 -16.948 130 HE3 MET 18 HE3 MET 18 -1.348 -22.490 -16.919 131 H LEU 19 H LEU 19 2.826 -22.549 -13.324 132 HA LEU 19 HA LEU 19 4.487 -21.498 -15.281 133 HB2 LEU 19 HB2 LEU 19 5.406 -22.431 -12.572 134 HB3 LEU 19 HB3 LEU 19 6.109 -21.154 -13.563 135 HG LEU 19 HG LEU 19 3.406 -21.049 -12.225 136 HD11 LEU 19 HD11 LEU 19 4.582 -20.551 -10.400 137 HD12 LEU 19 HD12 LEU 19 4.998 -19.041 -11.210 138 HD13 LEU 19 HD13 LEU 19 6.090 -20.423 -11.307 139 HD21 LEU 19 HD21 LEU 19 4.322 -19.655 -14.447 140 HD22 LEU 19 HD22 LEU 19 4.556 -18.544 -13.097 141 HD23 LEU 19 HD23 LEU 19 2.959 -19.223 -13.414 142 H SER 20 H SER 20 4.438 -24.694 -13.853 143 HA SER 20 HA SER 20 6.948 -25.490 -15.019 144 HB2 SER 20 HB2 SER 20 6.089 -26.457 -12.887 145 HB3 SER 20 HB3 SER 20 4.788 -27.225 -13.797 146 HG SER 20 HG SER 20 6.637 -28.590 -13.417 147 H MET 21 H MET 21 3.595 -25.560 -15.910 148 HA MET 21 HA MET 21 3.910 -27.517 -17.994 149 HB2 MET 21 HB2 MET 21 1.711 -25.862 -16.910 150 HB3 MET 21 HB3 MET 21 1.580 -26.290 -18.611 151 HG2 MET 21 HG2 MET 21 1.840 -28.665 -17.998 152 HG3 MET 21 HG3 MET 21 1.861 -28.194 -16.300 153 HE1 MET 21 HE1 MET 21 -0.259 -25.701 -16.626 154 HE2 MET 21 HE2 MET 21 -1.749 -26.483 -16.096 155 HE3 MET 21 HE3 MET 21 -0.247 -26.758 -15.214 156 H GLY 22 H GLY 22 3.945 -24.016 -17.741 157 HA2 GLY 22 HA2 GLY 22 5.517 -23.153 -19.599 158 HA3 GLY 22 HA3 GLY 22 4.276 -23.808 -20.658 159 H PHE 23 H PHE 23 4.119 -21.927 -17.638 160 HA PHE 23 HA PHE 23 2.835 -19.745 -19.105 161 HB2 PHE 23 HB2 PHE 23 1.642 -21.120 -16.690 162 HB3 PHE 23 HB3 PHE 23 1.065 -19.593 -17.349 163 HD1 PHE 23 HD1 PHE 23 1.299 -23.206 -17.887 164 HD2 PHE 23 HD2 PHE 23 -0.192 -19.516 -19.396 165 HE1 PHE 23 HE1 PHE 23 -0.162 -24.435 -19.439 166 HE2 PHE 23 HE2 PHE 23 -1.656 -20.739 -20.950 167 HZ PHE 23 HZ PHE 23 -1.643 -23.202 -20.972 168 H SER 24 H SER 24 2.331 -17.913 -17.387 169 HA SER 24 HA SER 24 4.441 -17.746 -15.376 170 HB2 SER 24 HB2 SER 24 5.090 -16.746 -17.737 171 HB3 SER 24 HB3 SER 24 4.114 -15.385 -17.182 172 HG SER 24 HG SER 24 6.395 -16.499 -15.915 173 H ASP 25 H ASP 25 4.193 -15.146 -14.627 174 HA ASP 25 HA ASP 25 1.332 -14.780 -14.052 175 HB2 ASP 25 HB2 ASP 25 2.071 -14.013 -11.733 176 HB3 ASP 25 HB3 ASP 25 2.144 -15.745 -12.049 177 H GLU 26 H GLU 26 3.035 -13.479 -16.000 178 HA GLU 26 HA GLU 26 4.060 -11.028 -15.255 179 HB2 GLU 26 HB2 GLU 26 2.545 -11.665 -17.793 180 HB3 GLU 26 HB3 GLU 26 3.625 -10.298 -17.560 181 HG2 GLU 26 HG2 GLU 26 4.898 -12.822 -16.921 182 HG3 GLU 26 HG3 GLU 26 4.296 -12.770 -18.577 183 H GLY 27 H GLY 27 3.161 -9.412 -14.170 184 HA2 GLY 27 HA2 GLY 27 1.662 -7.670 -13.789 185 HA3 GLY 27 HA3 GLY 27 0.567 -8.391 -14.959 186 H GLY 28 H GLY 28 0.010 -10.826 -14.027 187 HA2 GLY 28 HA2 GLY 28 -0.397 -11.731 -11.651 188 HA3 GLY 28 HA3 GLY 28 -1.291 -10.230 -11.454 189 H TRP 29 H TRP 29 -1.118 -12.589 -14.115 190 HA TRP 29 HA TRP 29 -4.042 -12.594 -14.205 191 HB2 TRP 29 HB2 TRP 29 -3.866 -13.434 -16.416 192 HB3 TRP 29 HB3 TRP 29 -2.611 -12.205 -16.273 193 HD1 TRP 29 HD1 TRP 29 -0.057 -13.061 -16.207 194 HE1 TRP 29 HE1 TRP 29 1.024 -15.246 -17.034 195 HE3 TRP 29 HE3 TRP 29 -4.268 -15.921 -16.686 196 HZ2 TRP 29 HZ2 TRP 29 0.201 -17.838 -17.789 197 HZ3 TRP 29 HZ3 TRP 29 -4.035 -18.243 -17.467 198 HH2 TRP 29 HH2 TRP 29 -1.846 -19.179 -18.007 199 H LEU 30 H LEU 30 -1.406 -14.530 -13.200 200 HA LEU 30 HA LEU 30 -3.080 -16.941 -13.121 201 HB2 LEU 30 HB2 LEU 30 -0.722 -16.911 -14.129 202 HB3 LEU 30 HB3 LEU 30 -0.155 -16.816 -12.462 203 HG LEU 30 HG LEU 30 -1.300 -18.964 -11.997 204 HD11 LEU 30 HD11 LEU 30 -1.544 -19.621 -14.848 205 HD12 LEU 30 HD12 LEU 30 -2.738 -18.476 -14.237 206 HD13 LEU 30 HD13 LEU 30 -2.572 -20.063 -13.485 207 HD21 LEU 30 HD21 LEU 30 0.335 -19.849 -14.198 208 HD22 LEU 30 HD22 LEU 30 0.634 -19.952 -12.463 209 HD23 LEU 30 HD23 LEU 30 1.096 -18.501 -13.352 210 H THR 31 H THR 31 -2.501 -14.381 -11.235 211 HA THR 31 HA THR 31 -2.135 -15.818 -8.724 212 HB THR 31 HB THR 31 -0.905 -13.734 -8.975 213 HG1 THR 31 HG1 THR 31 -2.987 -13.167 -7.140 214 HG21 THR 31 HG21 THR 31 -1.762 -11.861 -9.844 215 HG22 THR 31 HG22 THR 31 -3.154 -11.909 -8.762 216 HG23 THR 31 HG23 THR 31 -3.179 -12.820 -10.272 217 H ARG 32 H ARG 32 -4.649 -14.480 -10.652 218 HA ARG 32 HA ARG 32 -6.554 -14.851 -8.433 219 HB2 ARG 32 HB2 ARG 32 -6.849 -13.019 -10.820 220 HB3 ARG 32 HB3 ARG 32 -7.997 -13.197 -9.500 221 HG2 ARG 32 HG2 ARG 32 -5.266 -12.482 -8.688 222 HG3 ARG 32 HG3 ARG 32 -6.117 -11.266 -9.643 223 HD2 ARG 32 HD2 ARG 32 -8.043 -12.037 -7.872 224 HD3 ARG 32 HD3 ARG 32 -6.581 -12.178 -6.897 225 HE ARG 32 HE ARG 32 -6.492 -9.904 -6.819 226 HH11 ARG 32 HH11 ARG 32 -8.420 -10.840 -9.562 227 HH12 ARG 32 HH12 ARG 32 -8.865 -9.216 -9.968 228 HH21 ARG 32 HH21 ARG 32 -7.070 -7.761 -7.344 229 HH22 ARG 32 HH22 ARG 32 -8.096 -7.465 -8.707 230 H LEU 33 H LEU 33 -5.732 -15.583 -11.724 231 HA LEU 33 HA LEU 33 -8.102 -16.534 -12.759 232 HB2 LEU 33 HB2 LEU 33 -6.314 -16.476 -14.236 233 HB3 LEU 33 HB3 LEU 33 -5.247 -17.340 -13.131 234 HG LEU 33 HG LEU 33 -6.432 -19.421 -13.596 235 HD11 LEU 33 HD11 LEU 33 -8.649 -18.664 -14.015 236 HD12 LEU 33 HD12 LEU 33 -8.073 -19.445 -15.487 237 HD13 LEU 33 HD13 LEU 33 -8.122 -17.685 -15.384 238 HD21 LEU 33 HD21 LEU 33 -4.629 -19.253 -15.009 239 HD22 LEU 33 HD22 LEU 33 -5.260 -17.821 -15.823 240 HD23 LEU 33 HD23 LEU 33 -5.948 -19.407 -16.171 241 H LEU 34 H LEU 34 -5.695 -18.368 -10.881 242 HA LEU 34 HA LEU 34 -7.109 -20.790 -10.822 243 HB2 LEU 34 HB2 LEU 34 -5.033 -19.598 -9.009 244 HB3 LEU 34 HB3 LEU 34 -5.721 -21.194 -8.715 245 HG LEU 34 HG LEU 34 -3.632 -21.501 -9.807 246 HD11 LEU 34 HD11 LEU 34 -5.727 -22.775 -10.599 247 HD12 LEU 34 HD12 LEU 34 -4.262 -22.865 -11.576 248 HD13 LEU 34 HD13 LEU 34 -5.581 -21.799 -12.060 249 HD21 LEU 34 HD21 LEU 34 -2.805 -20.266 -11.525 250 HD22 LEU 34 HD22 LEU 34 -3.892 -19.060 -10.836 251 HD23 LEU 34 HD23 LEU 34 -4.393 -19.996 -12.245 252 H GLN 35 H GLN 35 -7.032 -18.097 -8.508 253 HA GLN 35 HA GLN 35 -8.637 -19.160 -6.522 254 HB2 GLN 35 HB2 GLN 35 -8.278 -16.335 -7.499 255 HB3 GLN 35 HB3 GLN 35 -9.317 -16.716 -6.132 256 HG2 GLN 35 HG2 GLN 35 -7.400 -17.731 -4.980 257 HG3 GLN 35 HG3 GLN 35 -6.369 -17.284 -6.339 258 HE21 GLN 35 HE21 GLN 35 -7.824 -16.268 -3.439 259 HE22 GLN 35 HE22 GLN 35 -7.275 -14.630 -3.460 260 H THR 36 H THR 36 -9.539 -17.755 -9.605 261 HA THR 36 HA THR 36 -12.352 -17.691 -9.016 262 HB THR 36 HB THR 36 -12.125 -17.629 -11.781 263 HG1 THR 36 HG1 THR 36 -10.313 -16.442 -12.236 264 HG21 THR 36 HG21 THR 36 -12.312 -15.574 -9.622 265 HG22 THR 36 HG22 THR 36 -13.505 -16.042 -10.832 266 HG23 THR 36 HG23 THR 36 -12.122 -15.051 -11.295 267 H LYS 37 H LYS 37 -10.117 -20.022 -10.218 268 HA LYS 37 HA LYS 37 -12.298 -21.740 -11.174 269 HB2 LYS 37 HB2 LYS 37 -9.309 -22.061 -11.507 270 HB3 LYS 37 HB3 LYS 37 -10.542 -23.095 -12.219 271 HG2 LYS 37 HG2 LYS 37 -10.035 -20.193 -12.837 272 HG3 LYS 37 HG3 LYS 37 -9.726 -21.579 -13.885 273 HD2 LYS 37 HD2 LYS 37 -12.275 -22.033 -13.563 274 HD3 LYS 37 HD3 LYS 37 -12.328 -20.329 -13.105 275 HE2 LYS 37 HE2 LYS 37 -11.391 -19.682 -15.229 276 HE3 LYS 37 HE3 LYS 37 -11.151 -21.370 -15.679 277 HZ1 LYS 37 HZ1 LYS 37 -13.277 -19.937 -16.394 278 HZ2 LYS 37 HZ2 LYS 37 -13.866 -20.636 -14.970 279 HZ3 LYS 37 HZ3 LYS 37 -13.302 -21.620 -16.225 280 H ASN 38 H ASN 38 -11.220 -21.129 -8.321 281 HA ASN 38 HA ASN 38 -11.040 -22.248 -6.349 282 HB2 ASN 38 HB2 ASN 38 -13.086 -23.417 -7.527 283 HB3 ASN 38 HB3 ASN 38 -11.981 -24.785 -7.628 284 HD21 ASN 38 HD21 ASN 38 -14.462 -23.878 -5.964 285 HD22 ASN 38 HD22 ASN 38 -14.042 -24.390 -4.368 286 H TYR 39 H TYR 39 -8.731 -22.100 -7.882 287 HA TYR 39 HA TYR 39 -6.635 -22.962 -8.081 288 HB2 TYR 39 HB2 TYR 39 -7.359 -24.927 -5.918 289 HB3 TYR 39 HB3 TYR 39 -5.795 -24.194 -6.251 290 HD1 TYR 39 HD1 TYR 39 -6.092 -21.422 -6.267 291 HD2 TYR 39 HD2 TYR 39 -8.271 -24.229 -3.927 292 HE1 TYR 39 HE1 TYR 39 -6.557 -19.668 -4.607 293 HE2 TYR 39 HE2 TYR 39 -8.744 -22.482 -2.261 294 HH TYR 39 HH TYR 39 -7.389 -20.130 -1.629 295 H ASP 40 H ASP 40 -7.981 -23.852 -10.088 296 HA ASP 40 HA ASP 40 -7.661 -26.778 -10.157 297 HB2 ASP 40 HB2 ASP 40 -9.674 -24.958 -11.260 298 HB3 ASP 40 HB3 ASP 40 -9.062 -26.117 -12.436 299 H ILE 41 H ILE 41 -6.658 -27.745 -11.964 300 HA ILE 41 HA ILE 41 -4.739 -25.973 -13.301 301 HB ILE 41 HB ILE 41 -4.589 -28.970 -13.343 302 HG12 ILE 41 HG12 ILE 41 -4.814 -28.382 -10.993 303 HG13 ILE 41 HG13 ILE 41 -3.150 -28.845 -11.330 304 HG21 ILE 41 HG21 ILE 41 -2.604 -28.647 -14.301 305 HG22 ILE 41 HG22 ILE 41 -3.082 -26.962 -14.499 306 HG23 ILE 41 HG23 ILE 41 -2.133 -27.449 -13.096 307 HD11 ILE 41 HD11 ILE 41 -2.466 -26.539 -11.341 308 HD12 ILE 41 HD12 ILE 41 -4.137 -26.010 -11.145 309 HD13 ILE 41 HD13 ILE 41 -3.333 -26.894 -9.847 310 H GLY 42 H GLY 42 -7.361 -28.189 -13.890 311 HA2 GLY 42 HA2 GLY 42 -6.862 -28.302 -16.748 312 HA3 GLY 42 HA3 GLY 42 -8.194 -29.061 -15.889 313 H ALA 43 H ALA 43 -8.592 -26.296 -14.576 314 HA ALA 43 HA ALA 43 -10.409 -25.329 -16.643 315 HB1 ALA 43 HB1 ALA 43 -10.178 -24.338 -13.811 316 HB2 ALA 43 HB2 ALA 43 -11.528 -24.130 -14.927 317 HB3 ALA 43 HB3 ALA 43 -11.160 -25.727 -14.277 318 H ALA 44 H ALA 44 -7.494 -24.413 -14.976 319 HA ALA 44 HA ALA 44 -7.577 -21.673 -15.899 320 HB1 ALA 44 HB1 ALA 44 -5.568 -21.348 -14.699 321 HB2 ALA 44 HB2 ALA 44 -6.558 -22.424 -13.711 322 HB3 ALA 44 HB3 ALA 44 -5.224 -23.078 -14.661 323 H LEU 45 H LEU 45 -6.518 -24.683 -17.102 324 HA LEU 45 HA LEU 45 -4.404 -23.725 -18.771 325 HB2 LEU 45 HB2 LEU 45 -5.916 -26.272 -18.482 326 HB3 LEU 45 HB3 LEU 45 -4.997 -26.004 -19.962 327 HG LEU 45 HG LEU 45 -3.781 -25.865 -17.208 328 HD11 LEU 45 HD11 LEU 45 -2.989 -28.169 -18.705 329 HD12 LEU 45 HD12 LEU 45 -4.743 -28.154 -18.527 330 HD13 LEU 45 HD13 LEU 45 -3.712 -28.076 -17.099 331 HD21 LEU 45 HD21 LEU 45 -1.824 -25.457 -18.226 332 HD22 LEU 45 HD22 LEU 45 -2.828 -24.927 -19.576 333 HD23 LEU 45 HD23 LEU 45 -2.169 -26.563 -19.557 334 H ASP 46 H ASP 46 -7.818 -23.731 -18.975 335 HA ASP 46 HA ASP 46 -7.701 -23.148 -21.859 336 HB2 ASP 46 HB2 ASP 46 -9.367 -24.892 -20.441 337 HB3 ASP 46 HB3 ASP 46 -10.382 -23.502 -20.816 338 H THR 47 H THR 47 -7.182 -21.344 -19.512 339 HA THR 47 HA THR 47 -9.301 -19.358 -20.001 340 HB THR 47 HB THR 47 -7.354 -19.218 -17.712 341 HG1 THR 47 HG1 THR 47 -9.938 -20.359 -17.488 342 HG21 THR 47 HG21 THR 47 -8.451 -17.213 -17.735 343 HG22 THR 47 HG22 THR 47 -9.603 -18.149 -16.783 344 HG23 THR 47 HG23 THR 47 -9.890 -17.884 -18.503 345 H ILE 48 H ILE 48 -6.630 -20.046 -21.419 346 HA ILE 48 HA ILE 48 -5.584 -17.289 -21.434 347 HB ILE 48 HB ILE 48 -3.878 -19.515 -22.422 348 HG12 ILE 48 HG12 ILE 48 -3.040 -19.504 -19.888 349 HG13 ILE 48 HG13 ILE 48 -4.737 -19.143 -19.593 350 HG21 ILE 48 HG21 ILE 48 -2.933 -17.391 -22.669 351 HG22 ILE 48 HG22 ILE 48 -3.474 -16.866 -21.075 352 HG23 ILE 48 HG23 ILE 48 -2.166 -18.039 -21.219 353 HD11 ILE 48 HD11 ILE 48 -4.509 -21.312 -21.448 354 HD12 ILE 48 HD12 ILE 48 -3.561 -21.644 -19.998 355 HD13 ILE 48 HD13 ILE 48 -5.279 -21.267 -19.862 356 H GLN 49 H GLN 49 -6.606 -20.048 -23.316 357 HA GLN 49 HA GLN 49 -5.766 -19.381 -25.852 358 HB2 GLN 49 HB2 GLN 49 -8.439 -20.559 -25.074 359 HB3 GLN 49 HB3 GLN 49 -7.727 -20.619 -26.680 360 HG2 GLN 49 HG2 GLN 49 -6.293 -21.755 -24.313 361 HG3 GLN 49 HG3 GLN 49 -7.529 -22.678 -25.166 362 HE21 GLN 49 HE21 GLN 49 -4.316 -22.172 -24.947 363 HE22 GLN 49 HE22 GLN 49 -3.827 -22.645 -26.535 364 H TYR 50 H TYR 50 -8.661 -18.240 -24.149 365 HA TYR 50 HA TYR 50 -8.619 -15.730 -25.480 366 HB2 TYR 50 HB2 TYR 50 -10.573 -15.892 -26.843 367 HB3 TYR 50 HB3 TYR 50 -9.537 -17.247 -27.277 368 HD1 TYR 50 HD1 TYR 50 -10.129 -19.537 -26.559 369 HD2 TYR 50 HD2 TYR 50 -12.723 -16.240 -25.851 370 HE1 TYR 50 HE1 TYR 50 -11.983 -21.096 -26.134 371 HE2 TYR 50 HE2 TYR 50 -14.585 -17.790 -25.423 372 HH TYR 50 HH TYR 50 -14.102 -21.305 -25.492 373 H SER 51 H SER 51 -11.080 -14.772 -25.170 374 HA SER 51 HA SER 51 -11.641 -15.214 -22.313 375 HB2 SER 51 HB2 SER 51 -11.283 -12.812 -23.901 376 HB3 SER 51 HB3 SER 51 -12.835 -12.799 -23.064 377 HG SER 51 HG SER 51 -10.376 -12.406 -22.063 378 H LYS 52 H LYS 52 -13.499 -13.722 -24.952 379 HA LYS 52 HA LYS 52 -15.725 -15.537 -24.287 380 HB2 LYS 52 HB2 LYS 52 -15.621 -12.610 -24.631 381 HB3 LYS 52 HB3 LYS 52 -16.961 -13.405 -25.448 382 HG2 LYS 52 HG2 LYS 52 -16.341 -13.863 -22.546 383 HG3 LYS 52 HG3 LYS 52 -17.397 -12.564 -23.106 384 HD2 LYS 52 HD2 LYS 52 -19.022 -14.031 -23.854 385 HD3 LYS 52 HD3 LYS 52 -17.883 -15.370 -24.017 386 HE2 LYS 52 HE2 LYS 52 -19.033 -15.997 -22.129 387 HE3 LYS 52 HE3 LYS 52 -17.679 -15.117 -21.421 388 HZ1 LYS 52 HZ1 LYS 52 -19.549 -14.298 -20.332 389 HZ2 LYS 52 HZ2 LYS 52 -20.479 -14.230 -21.744 390 HZ3 LYS 52 HZ3 LYS 52 -19.229 -13.117 -21.500 391 H HIS 53 H HIS 53 -14.578 -13.403 -26.908 392 HA HIS 53 HA HIS 53 -15.166 -15.563 -28.810 393 HB2 HIS 53 HB2 HIS 53 -15.937 -13.757 -30.422 394 HB3 HIS 53 HB3 HIS 53 -17.029 -14.117 -29.088 395 HD1 HIS 53 HD1 HIS 53 -18.128 -11.932 -28.639 396 HD2 HIS 53 HD2 HIS 53 -14.007 -11.563 -29.024 397 HE1 HIS 53 HE1 HIS 53 -17.611 -9.540 -28.063 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 0.405 -4.337 0.906 2 HA2 GLY 1 HA2 GLY 1 -1.278 -2.927 0.224 3 HA3 GLY 1 HA3 GLY 1 -0.176 -1.650 0.717 4 HA PRO 2 HA PRO 2 0.322 -0.291 -3.415 5 HB2 PRO 2 HB2 PRO 2 2.987 0.182 -3.628 6 HB3 PRO 2 HB3 PRO 2 1.904 1.199 -2.670 7 HG2 PRO 2 HG2 PRO 2 3.734 -0.993 -1.771 8 HG3 PRO 2 HG3 PRO 2 3.445 0.595 -1.036 9 HD2 PRO 2 HD2 PRO 2 2.299 -1.672 -0.101 10 HD3 PRO 2 HD3 PRO 2 1.496 -0.091 -0.016 11 H LEU 3 H LEU 3 0.350 -1.259 -5.348 12 HA LEU 3 HA LEU 3 0.754 -2.757 -7.009 13 HB2 LEU 3 HB2 LEU 3 3.293 -2.081 -5.897 14 HB3 LEU 3 HB3 LEU 3 3.303 -3.787 -6.338 15 HG LEU 3 HG LEU 3 2.265 -2.712 -8.588 16 HD11 LEU 3 HD11 LEU 3 4.404 -0.744 -8.097 17 HD12 LEU 3 HD12 LEU 3 2.869 -0.446 -7.282 18 HD13 LEU 3 HD13 LEU 3 2.919 -0.602 -9.038 19 HD21 LEU 3 HD21 LEU 3 5.231 -2.696 -8.240 20 HD22 LEU 3 HD22 LEU 3 4.259 -3.295 -9.584 21 HD23 LEU 3 HD23 LEU 3 4.337 -4.209 -8.077 22 H GLY 4 H GLY 4 1.594 -5.143 -7.374 23 HA2 GLY 4 HA2 GLY 4 0.909 -6.757 -5.004 24 HA3 GLY 4 HA3 GLY 4 0.109 -7.052 -6.540 25 H SER 5 H SER 5 2.782 -7.771 -4.593 26 HA SER 5 HA SER 5 3.905 -9.426 -6.739 27 HB2 SER 5 HB2 SER 5 6.211 -8.865 -5.842 28 HB3 SER 5 HB3 SER 5 5.397 -7.561 -6.707 29 HG SER 5 HG SER 5 5.490 -6.421 -4.956 30 H GLU 6 H GLU 6 2.268 -10.607 -5.088 31 HA GLU 6 HA GLU 6 4.006 -12.277 -3.464 32 HB2 GLU 6 HB2 GLU 6 2.021 -10.406 -2.353 33 HB3 GLU 6 HB3 GLU 6 1.908 -12.049 -1.737 34 HG2 GLU 6 HG2 GLU 6 4.073 -11.989 -0.851 35 HG3 GLU 6 HG3 GLU 6 4.511 -10.566 -1.794 36 H ALA 7 H ALA 7 2.518 -14.064 -2.397 37 HA ALA 7 HA ALA 7 0.245 -14.783 -4.047 38 HB1 ALA 7 HB1 ALA 7 1.312 -17.081 -4.468 39 HB2 ALA 7 HB2 ALA 7 1.829 -15.727 -5.473 40 HB3 ALA 7 HB3 ALA 7 2.845 -16.273 -4.138 41 H ASP 8 H ASP 8 -0.273 -17.276 -3.357 42 HA ASP 8 HA ASP 8 -0.124 -17.353 -0.416 43 HB2 ASP 8 HB2 ASP 8 -2.451 -17.180 -2.114 44 HB3 ASP 8 HB3 ASP 8 -2.487 -18.673 -1.181 45 HA PRO 9 HA PRO 9 1.223 -21.517 -0.687 46 HB2 PRO 9 HB2 PRO 9 -0.051 -22.681 1.409 47 HB3 PRO 9 HB3 PRO 9 1.288 -21.545 1.609 48 HG2 PRO 9 HG2 PRO 9 -1.657 -21.058 1.830 49 HG3 PRO 9 HG3 PRO 9 -0.346 -20.472 2.869 50 HD2 PRO 9 HD2 PRO 9 -1.494 -18.930 0.963 51 HD3 PRO 9 HD3 PRO 9 0.215 -18.773 1.416 52 H ARG 10 H ARG 10 -2.261 -21.029 -0.455 53 HA ARG 10 HA ARG 10 -2.799 -23.668 -1.560 54 HB2 ARG 10 HB2 ARG 10 -4.406 -21.531 -0.270 55 HB3 ARG 10 HB3 ARG 10 -5.231 -22.541 -1.450 56 HG2 ARG 10 HG2 ARG 10 -5.644 -23.696 0.479 57 HG3 ARG 10 HG3 ARG 10 -4.172 -24.496 -0.075 58 HD2 ARG 10 HD2 ARG 10 -2.835 -23.148 1.423 59 HD3 ARG 10 HD3 ARG 10 -4.258 -22.231 1.914 60 HE ARG 10 HE ARG 10 -4.930 -24.772 2.534 61 HH11 ARG 10 HH11 ARG 10 -2.147 -22.805 3.244 62 HH12 ARG 10 HH12 ARG 10 -1.821 -23.582 4.758 63 HH21 ARG 10 HH21 ARG 10 -4.512 -25.802 4.526 64 HH22 ARG 10 HH22 ARG 10 -3.166 -25.287 5.486 65 H LEU 11 H LEU 11 -1.627 -21.108 -2.947 66 HA LEU 11 HA LEU 11 -3.368 -21.280 -5.318 67 HB2 LEU 11 HB2 LEU 11 -3.542 -19.079 -4.416 68 HB3 LEU 11 HB3 LEU 11 -1.793 -18.951 -4.246 69 HG LEU 11 HG LEU 11 -1.661 -19.041 -6.766 70 HD11 LEU 11 HD11 LEU 11 -4.039 -18.062 -7.601 71 HD12 LEU 11 HD12 LEU 11 -4.568 -19.220 -6.381 72 HD13 LEU 11 HD13 LEU 11 -3.562 -19.755 -7.727 73 HD21 LEU 11 HD21 LEU 11 -2.666 -16.852 -5.079 74 HD22 LEU 11 HD22 LEU 11 -2.885 -16.630 -6.815 75 HD23 LEU 11 HD23 LEU 11 -1.272 -16.910 -6.159 76 H ILE 12 H ILE 12 -0.032 -20.649 -4.253 77 HA ILE 12 HA ILE 12 1.257 -20.804 -6.690 78 HB ILE 12 HB ILE 12 3.267 -21.504 -5.460 79 HG12 ILE 12 HG12 ILE 12 2.662 -21.483 -2.809 80 HG13 ILE 12 HG13 ILE 12 1.234 -22.278 -3.463 81 HG21 ILE 12 HG21 ILE 12 1.683 -19.184 -4.979 82 HG22 ILE 12 HG22 ILE 12 2.534 -19.611 -3.496 83 HG23 ILE 12 HG23 ILE 12 3.440 -19.344 -4.985 84 HD11 ILE 12 HD11 ILE 12 3.971 -23.253 -3.183 85 HD12 ILE 12 HD12 ILE 12 2.447 -24.138 -3.262 86 HD13 ILE 12 HD13 ILE 12 3.232 -23.599 -4.747 87 H GLU 13 H GLU 13 -0.075 -23.364 -4.738 88 HA GLU 13 HA GLU 13 1.275 -25.574 -5.735 89 HB2 GLU 13 HB2 GLU 13 -0.753 -26.867 -5.142 90 HB3 GLU 13 HB3 GLU 13 -0.248 -25.769 -3.866 91 HG2 GLU 13 HG2 GLU 13 -2.424 -25.240 -3.822 92 HG3 GLU 13 HG3 GLU 13 -1.988 -24.192 -5.171 93 H SER 14 H SER 14 -1.530 -23.869 -7.053 94 HA SER 14 HA SER 14 -1.902 -25.671 -9.235 95 HB2 SER 14 HB2 SER 14 -2.919 -22.873 -8.711 96 HB3 SER 14 HB3 SER 14 -3.372 -23.817 -10.130 97 HG SER 14 HG SER 14 -4.914 -24.139 -8.547 98 H LEU 15 H LEU 15 -0.530 -22.396 -8.982 99 HA LEU 15 HA LEU 15 0.156 -21.947 -11.600 100 HB2 LEU 15 HB2 LEU 15 1.597 -21.210 -9.066 101 HB3 LEU 15 HB3 LEU 15 2.103 -20.631 -10.652 102 HG LEU 15 HG LEU 15 -0.708 -20.110 -10.151 103 HD11 LEU 15 HD11 LEU 15 -0.202 -18.270 -8.496 104 HD12 LEU 15 HD12 LEU 15 1.328 -19.090 -8.189 105 HD13 LEU 15 HD13 LEU 15 -0.195 -19.914 -7.857 106 HD21 LEU 15 HD21 LEU 15 1.214 -17.906 -10.435 107 HD22 LEU 15 HD22 LEU 15 -0.250 -18.265 -11.350 108 HD23 LEU 15 HD23 LEU 15 1.254 -19.106 -11.727 109 H SER 16 H SER 16 1.986 -23.766 -9.172 110 HA SER 16 HA SER 16 4.318 -24.254 -10.548 111 HB2 SER 16 HB2 SER 16 3.338 -25.083 -8.172 112 HB3 SER 16 HB3 SER 16 3.194 -26.580 -9.093 113 HG SER 16 HG SER 16 5.469 -26.164 -9.690 114 H GLN 17 H GLN 17 1.171 -25.733 -10.977 115 HA GLN 17 HA GLN 17 2.130 -27.772 -12.767 116 HB2 GLN 17 HB2 GLN 17 -0.731 -26.883 -12.446 117 HB3 GLN 17 HB3 GLN 17 -0.136 -28.454 -12.968 118 HG2 GLN 17 HG2 GLN 17 0.962 -28.095 -10.444 119 HG3 GLN 17 HG3 GLN 17 -0.683 -27.476 -10.311 120 HE21 GLN 17 HE21 GLN 17 0.331 -29.781 -9.016 121 HE22 GLN 17 HE22 GLN 17 -0.549 -31.146 -9.605 122 H MET 18 H MET 18 0.529 -24.641 -13.061 123 HA MET 18 HA MET 18 0.095 -24.773 -15.858 124 HB2 MET 18 HB2 MET 18 0.438 -22.278 -14.190 125 HB3 MET 18 HB3 MET 18 -0.403 -22.421 -15.728 126 HG2 MET 18 HG2 MET 18 -1.478 -24.241 -13.761 127 HG3 MET 18 HG3 MET 18 -1.512 -22.573 -13.194 128 HE1 MET 18 HE1 MET 18 -1.938 -23.035 -17.247 129 HE2 MET 18 HE2 MET 18 -1.818 -24.562 -16.373 130 HE3 MET 18 HE3 MET 18 -3.351 -24.081 -17.102 131 H LEU 19 H LEU 19 2.504 -22.903 -13.998 132 HA LEU 19 HA LEU 19 4.005 -22.001 -16.148 133 HB2 LEU 19 HB2 LEU 19 5.132 -22.766 -13.464 134 HB3 LEU 19 HB3 LEU 19 5.767 -21.570 -14.592 135 HG LEU 19 HG LEU 19 3.194 -21.338 -13.031 136 HD11 LEU 19 HD11 LEU 19 5.684 -21.049 -12.037 137 HD12 LEU 19 HD12 LEU 19 4.285 -20.133 -11.477 138 HD13 LEU 19 HD13 LEU 19 5.393 -19.421 -12.650 139 HD21 LEU 19 HD21 LEU 19 3.961 -20.099 -15.433 140 HD22 LEU 19 HD22 LEU 19 4.175 -18.895 -14.162 141 HD23 LEU 19 HD23 LEU 19 2.609 -19.677 -14.381 142 H SER 20 H SER 20 4.069 -25.093 -14.502 143 HA SER 20 HA SER 20 6.466 -25.991 -15.818 144 HB2 SER 20 HB2 SER 20 5.797 -26.814 -13.568 145 HB3 SER 20 HB3 SER 20 4.401 -27.605 -14.300 146 HG SER 20 HG SER 20 6.787 -28.606 -14.023 147 H MET 21 H MET 21 3.046 -26.101 -16.417 148 HA MET 21 HA MET 21 3.183 -28.187 -18.389 149 HB2 MET 21 HB2 MET 21 1.087 -26.437 -17.249 150 HB3 MET 21 HB3 MET 21 0.816 -26.985 -18.898 151 HG2 MET 21 HG2 MET 21 1.118 -29.313 -18.134 152 HG3 MET 21 HG3 MET 21 1.274 -28.719 -16.483 153 HE1 MET 21 HE1 MET 21 -0.739 -27.188 -15.343 154 HE2 MET 21 HE2 MET 21 -0.853 -26.237 -16.824 155 HE3 MET 21 HE3 MET 21 -2.303 -26.962 -16.129 156 H GLY 22 H GLY 22 3.279 -24.682 -18.371 157 HA2 GLY 22 HA2 GLY 22 4.691 -23.962 -20.407 158 HA3 GLY 22 HA3 GLY 22 3.362 -24.668 -21.314 159 H PHE 23 H PHE 23 3.461 -22.596 -18.420 160 HA PHE 23 HA PHE 23 2.072 -20.501 -19.919 161 HB2 PHE 23 HB2 PHE 23 1.092 -21.706 -17.325 162 HB3 PHE 23 HB3 PHE 23 0.477 -20.206 -18.010 163 HD1 PHE 23 HD1 PHE 23 0.636 -23.847 -18.399 164 HD2 PHE 23 HD2 PHE 23 -0.991 -20.213 -19.903 165 HE1 PHE 23 HE1 PHE 23 -0.980 -25.129 -19.740 166 HE2 PHE 23 HE2 PHE 23 -2.610 -21.489 -21.245 167 HZ PHE 23 HZ PHE 23 -2.607 -23.950 -21.165 168 H SER 24 H SER 24 1.736 -18.547 -18.298 169 HA SER 24 HA SER 24 4.003 -18.266 -16.484 170 HB2 SER 24 HB2 SER 24 3.571 -16.080 -18.489 171 HB3 SER 24 HB3 SER 24 5.020 -16.478 -17.567 172 HG SER 24 HG SER 24 3.937 -18.085 -19.641 173 H ASP 25 H ASP 25 3.861 -15.611 -15.931 174 HA ASP 25 HA ASP 25 1.062 -15.162 -15.137 175 HB2 ASP 25 HB2 ASP 25 1.928 -14.220 -12.989 176 HB3 ASP 25 HB3 ASP 25 2.210 -15.950 -13.171 177 H GLU 26 H GLU 26 2.346 -14.070 -17.410 178 HA GLU 26 HA GLU 26 3.517 -11.588 -17.130 179 HB2 GLU 26 HB2 GLU 26 2.494 -11.060 -19.362 180 HB3 GLU 26 HB3 GLU 26 3.377 -12.579 -19.297 181 HG2 GLU 26 HG2 GLU 26 1.152 -13.708 -18.913 182 HG3 GLU 26 HG3 GLU 26 0.404 -12.167 -19.329 183 H GLY 27 H GLY 27 2.837 -9.981 -15.868 184 HA2 GLY 27 HA2 GLY 27 1.488 -8.157 -15.334 185 HA3 GLY 27 HA3 GLY 27 0.213 -8.839 -16.333 186 H GLY 28 H GLY 28 -0.316 -11.236 -15.277 187 HA2 GLY 28 HA2 GLY 28 -0.426 -12.039 -12.816 188 HA3 GLY 28 HA3 GLY 28 -1.287 -10.523 -12.595 189 H TRP 29 H TRP 29 -1.432 -12.957 -15.184 190 HA TRP 29 HA TRP 29 -4.341 -12.940 -14.963 191 HB2 TRP 29 HB2 TRP 29 -4.390 -13.938 -17.115 192 HB3 TRP 29 HB3 TRP 29 -3.109 -12.731 -17.179 193 HD1 TRP 29 HD1 TRP 29 -0.571 -13.640 -17.278 194 HE1 TRP 29 HE1 TRP 29 0.393 -15.899 -18.047 195 HE3 TRP 29 HE3 TRP 29 -4.857 -16.424 -17.184 196 HZ2 TRP 29 HZ2 TRP 29 -0.541 -18.515 -18.549 197 HZ3 TRP 29 HZ3 TRP 29 -4.736 -18.797 -17.824 198 HH2 TRP 29 HH2 TRP 29 -2.622 -19.819 -18.492 199 H LEU 30 H LEU 30 -1.657 -14.859 -14.064 200 HA LEU 30 HA LEU 30 -3.355 -17.220 -13.661 201 HB2 LEU 30 HB2 LEU 30 -1.097 -17.314 -14.875 202 HB3 LEU 30 HB3 LEU 30 -0.381 -17.116 -13.277 203 HG LEU 30 HG LEU 30 -1.522 -19.200 -12.562 204 HD11 LEU 30 HD11 LEU 30 -2.016 -20.017 -15.346 205 HD12 LEU 30 HD12 LEU 30 -3.151 -18.845 -14.677 206 HD13 LEU 30 HD13 LEU 30 -2.907 -20.396 -13.872 207 HD21 LEU 30 HD21 LEU 30 0.278 -20.374 -13.181 208 HD22 LEU 30 HD22 LEU 30 0.794 -18.893 -13.989 209 HD23 LEU 30 HD23 LEU 30 -0.049 -20.147 -14.900 210 H THR 31 H THR 31 -2.548 -14.546 -12.025 211 HA THR 31 HA THR 31 -1.982 -15.809 -9.460 212 HB THR 31 HB THR 31 -0.757 -13.765 -9.995 213 HG1 THR 31 HG1 THR 31 -2.582 -12.989 -7.989 214 HG21 THR 31 HG21 THR 31 -3.129 -12.898 -11.108 215 HG22 THR 31 HG22 THR 31 -1.690 -11.914 -10.845 216 HG23 THR 31 HG23 THR 31 -2.985 -11.920 -9.648 217 H ARG 32 H ARG 32 -4.645 -14.569 -11.244 218 HA ARG 32 HA ARG 32 -6.342 -14.740 -8.840 219 HB2 ARG 32 HB2 ARG 32 -6.830 -13.074 -11.316 220 HB3 ARG 32 HB3 ARG 32 -7.854 -13.136 -9.888 221 HG2 ARG 32 HG2 ARG 32 -5.051 -12.421 -9.380 222 HG3 ARG 32 HG3 ARG 32 -5.969 -11.258 -10.338 223 HD2 ARG 32 HD2 ARG 32 -7.502 -12.220 -8.083 224 HD3 ARG 32 HD3 ARG 32 -5.967 -11.523 -7.567 225 HE ARG 32 HE ARG 32 -7.201 -9.809 -9.429 226 HH11 ARG 32 HH11 ARG 32 -7.538 -10.931 -6.150 227 HH12 ARG 32 HH12 ARG 32 -8.320 -9.486 -5.599 228 HH21 ARG 32 HH21 ARG 32 -8.229 -7.902 -8.715 229 HH22 ARG 32 HH22 ARG 32 -8.713 -7.765 -7.058 230 H LEU 33 H LEU 33 -5.842 -15.710 -12.136 231 HA LEU 33 HA LEU 33 -8.309 -16.686 -12.877 232 HB2 LEU 33 HB2 LEU 33 -6.662 -16.763 -14.511 233 HB3 LEU 33 HB3 LEU 33 -5.513 -17.577 -13.451 234 HG LEU 33 HG LEU 33 -6.785 -19.654 -13.660 235 HD11 LEU 33 HD11 LEU 33 -8.575 -17.988 -15.414 236 HD12 LEU 33 HD12 LEU 33 -9.009 -18.879 -13.956 237 HD13 LEU 33 HD13 LEU 33 -8.568 -19.752 -15.423 238 HD21 LEU 33 HD21 LEU 33 -5.795 -18.254 -16.107 239 HD22 LEU 33 HD22 LEU 33 -6.489 -19.870 -16.233 240 HD23 LEU 33 HD23 LEU 33 -5.078 -19.595 -15.212 241 H LEU 34 H LEU 34 -5.754 -18.460 -11.138 242 HA LEU 34 HA LEU 34 -7.183 -20.836 -10.770 243 HB2 LEU 34 HB2 LEU 34 -4.940 -19.552 -9.243 244 HB3 LEU 34 HB3 LEU 34 -5.621 -21.105 -8.760 245 HG LEU 34 HG LEU 34 -3.643 -21.538 -10.008 246 HD11 LEU 34 HD11 LEU 34 -5.799 -22.846 -10.491 247 HD12 LEU 34 HD12 LEU 34 -4.449 -23.019 -11.612 248 HD13 LEU 34 HD13 LEU 34 -5.812 -21.979 -12.027 249 HD21 LEU 34 HD21 LEU 34 -4.609 -20.222 -12.481 250 HD22 LEU 34 HD22 LEU 34 -2.964 -20.465 -11.891 251 HD23 LEU 34 HD23 LEU 34 -3.966 -19.185 -11.206 252 H GLN 35 H GLN 35 -6.879 -17.993 -8.663 253 HA GLN 35 HA GLN 35 -8.318 -18.897 -6.479 254 HB2 GLN 35 HB2 GLN 35 -7.987 -16.153 -7.667 255 HB3 GLN 35 HB3 GLN 35 -8.937 -16.412 -6.210 256 HG2 GLN 35 HG2 GLN 35 -7.009 -17.303 -5.064 257 HG3 GLN 35 HG3 GLN 35 -6.044 -17.176 -6.534 258 HE21 GLN 35 HE21 GLN 35 -6.563 -15.782 -3.660 259 HE22 GLN 35 HE22 GLN 35 -6.127 -14.150 -4.021 260 H THR 36 H THR 36 -9.460 -17.709 -9.568 261 HA THR 36 HA THR 36 -12.215 -17.558 -8.739 262 HB THR 36 HB THR 36 -12.207 -17.645 -11.519 263 HG1 THR 36 HG1 THR 36 -10.349 -16.871 -12.195 264 HG21 THR 36 HG21 THR 36 -12.246 -15.480 -9.460 265 HG22 THR 36 HG22 THR 36 -13.529 -16.023 -10.541 266 HG23 THR 36 HG23 THR 36 -12.200 -15.049 -11.170 267 H LYS 37 H LYS 37 -10.105 -19.972 -9.998 268 HA LYS 37 HA LYS 37 -12.367 -21.710 -10.692 269 HB2 LYS 37 HB2 LYS 37 -9.413 -22.084 -11.222 270 HB3 LYS 37 HB3 LYS 37 -10.700 -23.145 -11.780 271 HG2 LYS 37 HG2 LYS 37 -10.216 -20.291 -12.603 272 HG3 LYS 37 HG3 LYS 37 -10.009 -21.741 -13.590 273 HD2 LYS 37 HD2 LYS 37 -12.523 -22.139 -13.068 274 HD3 LYS 37 HD3 LYS 37 -12.532 -20.421 -12.663 275 HE2 LYS 37 HE2 LYS 37 -11.783 -19.840 -14.869 276 HE3 LYS 37 HE3 LYS 37 -11.540 -21.537 -15.282 277 HZ1 LYS 37 HZ1 LYS 37 -13.609 -21.550 -16.036 278 HZ2 LYS 37 HZ2 LYS 37 -13.896 -19.982 -15.470 279 HZ3 LYS 37 HZ3 LYS 37 -14.168 -21.309 -14.458 280 H ASN 38 H ASN 38 -11.079 -20.963 -7.960 281 HA ASN 38 HA ASN 38 -10.767 -21.978 -5.950 282 HB2 ASN 38 HB2 ASN 38 -12.869 -23.264 -7.060 283 HB3 ASN 38 HB3 ASN 38 -11.757 -24.616 -6.864 284 HD21 ASN 38 HD21 ASN 38 -12.993 -21.825 -5.059 285 HD22 ASN 38 HD22 ASN 38 -13.135 -22.650 -3.548 286 H TYR 39 H TYR 39 -8.573 -21.946 -7.645 287 HA TYR 39 HA TYR 39 -6.512 -22.857 -7.962 288 HB2 TYR 39 HB2 TYR 39 -7.088 -24.658 -5.619 289 HB3 TYR 39 HB3 TYR 39 -5.544 -23.983 -6.126 290 HD1 TYR 39 HD1 TYR 39 -5.815 -21.209 -6.322 291 HD2 TYR 39 HD2 TYR 39 -7.806 -23.810 -3.607 292 HE1 TYR 39 HE1 TYR 39 -6.116 -19.336 -4.756 293 HE2 TYR 39 HE2 TYR 39 -8.114 -21.944 -2.035 294 HH TYR 39 HH TYR 39 -6.553 -18.884 -2.488 295 H ASP 40 H ASP 40 -8.005 -23.854 -9.801 296 HA ASP 40 HA ASP 40 -7.725 -26.784 -9.696 297 HB2 ASP 40 HB2 ASP 40 -9.800 -25.010 -10.764 298 HB3 ASP 40 HB3 ASP 40 -9.298 -26.265 -11.893 299 H ILE 41 H ILE 41 -6.865 -27.881 -11.496 300 HA ILE 41 HA ILE 41 -5.047 -26.227 -13.099 301 HB ILE 41 HB ILE 41 -4.930 -29.223 -12.949 302 HG12 ILE 41 HG12 ILE 41 -4.951 -28.478 -10.635 303 HG13 ILE 41 HG13 ILE 41 -3.321 -28.977 -11.076 304 HG21 ILE 41 HG21 ILE 41 -3.006 -29.006 -14.059 305 HG22 ILE 41 HG22 ILE 41 -3.516 -27.350 -14.384 306 HG23 ILE 41 HG23 ILE 41 -2.457 -27.693 -13.018 307 HD11 ILE 41 HD11 ILE 41 -4.290 -26.130 -10.993 308 HD12 ILE 41 HD12 ILE 41 -3.369 -26.931 -9.720 309 HD13 ILE 41 HD13 ILE 41 -2.643 -26.675 -11.308 310 H GLY 42 H GLY 42 -7.674 -28.525 -13.340 311 HA2 GLY 42 HA2 GLY 42 -7.420 -28.819 -16.206 312 HA3 GLY 42 HA3 GLY 42 -8.700 -29.475 -15.196 313 H ALA 43 H ALA 43 -8.921 -26.594 -14.085 314 HA ALA 43 HA ALA 43 -10.895 -25.754 -16.058 315 HB1 ALA 43 HB1 ALA 43 -11.948 -24.597 -14.383 316 HB2 ALA 43 HB2 ALA 43 -11.181 -25.885 -13.453 317 HB3 ALA 43 HB3 ALA 43 -10.450 -24.281 -13.507 318 H ALA 44 H ALA 44 -7.916 -24.619 -14.561 319 HA ALA 44 HA ALA 44 -7.989 -22.043 -15.817 320 HB1 ALA 44 HB1 ALA 44 -5.619 -23.431 -14.576 321 HB2 ALA 44 HB2 ALA 44 -5.812 -21.703 -14.875 322 HB3 ALA 44 HB3 ALA 44 -6.819 -22.507 -13.670 323 H LEU 45 H LEU 45 -7.116 -25.173 -16.825 324 HA LEU 45 HA LEU 45 -5.112 -24.444 -18.731 325 HB2 LEU 45 HB2 LEU 45 -6.671 -26.895 -18.092 326 HB3 LEU 45 HB3 LEU 45 -5.883 -26.792 -19.665 327 HG LEU 45 HG LEU 45 -4.385 -26.416 -17.083 328 HD11 LEU 45 HD11 LEU 45 -4.160 -28.981 -18.513 329 HD12 LEU 45 HD12 LEU 45 -5.661 -28.722 -17.624 330 HD13 LEU 45 HD13 LEU 45 -4.113 -28.632 -16.785 331 HD21 LEU 45 HD21 LEU 45 -3.741 -26.262 -19.878 332 HD22 LEU 45 HD22 LEU 45 -2.811 -27.546 -19.106 333 HD23 LEU 45 HD23 LEU 45 -2.735 -25.901 -18.475 334 H ASP 46 H ASP 46 -8.539 -24.370 -18.674 335 HA ASP 46 HA ASP 46 -8.622 -23.995 -21.594 336 HB2 ASP 46 HB2 ASP 46 -10.188 -25.632 -19.964 337 HB3 ASP 46 HB3 ASP 46 -11.223 -24.254 -20.330 338 H THR 47 H THR 47 -7.960 -22.061 -19.362 339 HA THR 47 HA THR 47 -10.088 -20.085 -19.847 340 HB THR 47 HB THR 47 -7.974 -19.811 -17.724 341 HG1 THR 47 HG1 THR 47 -10.441 -21.227 -17.593 342 HG21 THR 47 HG21 THR 47 -10.156 -18.673 -16.707 343 HG22 THR 47 HG22 THR 47 -10.552 -18.506 -18.417 344 HG23 THR 47 HG23 THR 47 -9.062 -17.805 -17.784 345 H ILE 48 H ILE 48 -7.558 -20.879 -21.434 346 HA ILE 48 HA ILE 48 -6.493 -18.142 -21.696 347 HB ILE 48 HB ILE 48 -4.885 -20.439 -22.682 348 HG12 ILE 48 HG12 ILE 48 -3.849 -20.295 -20.227 349 HG13 ILE 48 HG13 ILE 48 -5.515 -19.899 -19.820 350 HG21 ILE 48 HG21 ILE 48 -3.079 -18.910 -21.684 351 HG22 ILE 48 HG22 ILE 48 -3.932 -18.360 -23.125 352 HG23 ILE 48 HG23 ILE 48 -4.369 -17.716 -21.543 353 HD11 ILE 48 HD11 ILE 48 -6.121 -22.021 -19.964 354 HD12 ILE 48 HD12 ILE 48 -5.401 -22.184 -21.565 355 HD13 ILE 48 HD13 ILE 48 -4.413 -22.427 -20.125 356 H GLN 49 H GLN 49 -7.669 -21.002 -23.321 357 HA GLN 49 HA GLN 49 -7.036 -20.490 -25.952 358 HB2 GLN 49 HB2 GLN 49 -9.696 -21.556 -24.997 359 HB3 GLN 49 HB3 GLN 49 -8.947 -21.834 -26.564 360 HG2 GLN 49 HG2 GLN 49 -8.009 -22.850 -23.894 361 HG3 GLN 49 HG3 GLN 49 -8.685 -23.792 -25.222 362 HE21 GLN 49 HE21 GLN 49 -7.414 -23.162 -27.382 363 HE22 GLN 49 HE22 GLN 49 -5.704 -23.361 -27.243 364 H TYR 50 H TYR 50 -9.776 -19.229 -24.086 365 HA TYR 50 HA TYR 50 -9.842 -16.792 -25.521 366 HB2 TYR 50 HB2 TYR 50 -11.853 -17.011 -26.788 367 HB3 TYR 50 HB3 TYR 50 -10.828 -18.374 -27.222 368 HD1 TYR 50 HD1 TYR 50 -13.887 -17.343 -25.483 369 HD2 TYR 50 HD2 TYR 50 -11.438 -20.636 -26.605 370 HE1 TYR 50 HE1 TYR 50 -15.716 -18.887 -24.919 371 HE2 TYR 50 HE2 TYR 50 -13.260 -22.190 -26.046 372 HH TYR 50 HH TYR 50 -15.394 -21.983 -24.336 373 H SER 51 H SER 51 -10.836 -15.283 -24.321 374 HA SER 51 HA SER 51 -13.129 -15.663 -22.751 375 HB2 SER 51 HB2 SER 51 -11.759 -17.043 -21.311 376 HB3 SER 51 HB3 SER 51 -10.512 -15.798 -21.237 377 HG SER 51 HG SER 51 -13.139 -15.673 -20.177 378 H LYS 52 H LYS 52 -10.019 -13.954 -22.368 379 HA LYS 52 HA LYS 52 -11.446 -11.452 -21.942 380 HB2 LYS 52 HB2 LYS 52 -8.774 -12.494 -21.348 381 HB3 LYS 52 HB3 LYS 52 -8.762 -10.836 -21.934 382 HG2 LYS 52 HG2 LYS 52 -10.571 -11.710 -19.708 383 HG3 LYS 52 HG3 LYS 52 -8.906 -11.203 -19.418 384 HD2 LYS 52 HD2 LYS 52 -10.827 -9.493 -20.969 385 HD3 LYS 52 HD3 LYS 52 -10.752 -9.435 -19.206 386 HE2 LYS 52 HE2 LYS 52 -8.163 -9.172 -19.697 387 HE3 LYS 52 HE3 LYS 52 -8.765 -8.546 -21.231 388 HZ1 LYS 52 HZ1 LYS 52 -9.111 -7.459 -18.521 389 HZ2 LYS 52 HZ2 LYS 52 -10.280 -7.131 -19.700 390 HZ3 LYS 52 HZ3 LYS 52 -8.674 -6.663 -19.948 391 H HIS 53 H HIS 53 -9.507 -13.049 -24.363 392 HA HIS 53 HA HIS 53 -10.092 -10.852 -26.212 393 HB2 HIS 53 HB2 HIS 53 -7.763 -11.218 -27.194 394 HB3 HIS 53 HB3 HIS 53 -7.848 -10.358 -25.659 395 HD1 HIS 53 HD1 HIS 53 -6.261 -13.200 -27.272 396 HD2 HIS 53 HD2 HIS 53 -7.183 -12.081 -23.379 397 HE1 HIS 53 HE1 HIS 53 -4.837 -14.657 -25.799 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 11.159 -0.196 -8.623 2 HA2 GLY 1 HA2 GLY 1 9.852 0.497 -10.384 3 HA3 GLY 1 HA3 GLY 1 10.787 -0.669 -11.309 4 HA PRO 2 HA PRO 2 7.298 -3.248 -11.899 5 HB2 PRO 2 HB2 PRO 2 8.208 -5.752 -11.375 6 HB3 PRO 2 HB3 PRO 2 8.684 -4.837 -12.811 7 HG2 PRO 2 HG2 PRO 2 10.159 -5.220 -10.234 8 HG3 PRO 2 HG3 PRO 2 10.777 -5.272 -11.895 9 HD2 PRO 2 HD2 PRO 2 11.069 -3.104 -10.300 10 HD3 PRO 2 HD3 PRO 2 10.886 -2.976 -12.061 11 H LEU 3 H LEU 3 5.506 -3.715 -10.778 12 HA LEU 3 HA LEU 3 5.794 -4.416 -7.930 13 HB2 LEU 3 HB2 LEU 3 4.275 -2.364 -9.252 14 HB3 LEU 3 HB3 LEU 3 3.199 -3.448 -8.374 15 HG LEU 3 HG LEU 3 4.465 -3.011 -6.313 16 HD11 LEU 3 HD11 LEU 3 5.960 -0.958 -7.933 17 HD12 LEU 3 HD12 LEU 3 6.625 -2.509 -7.422 18 HD13 LEU 3 HD13 LEU 3 6.156 -1.311 -6.216 19 HD21 LEU 3 HD21 LEU 3 3.983 -0.278 -6.779 20 HD22 LEU 3 HD22 LEU 3 2.915 -1.454 -6.013 21 HD23 LEU 3 HD23 LEU 3 2.813 -1.171 -7.751 22 H GLY 4 H GLY 4 4.496 -6.027 -7.072 23 HA2 GLY 4 HA2 GLY 4 2.853 -7.532 -9.010 24 HA3 GLY 4 HA3 GLY 4 3.999 -8.352 -7.959 25 H SER 5 H SER 5 2.878 -9.463 -6.503 26 HA SER 5 HA SER 5 1.314 -8.161 -4.538 27 HB2 SER 5 HB2 SER 5 -0.121 -8.777 -6.862 28 HB3 SER 5 HB3 SER 5 -0.546 -10.047 -5.715 29 HG SER 5 HG SER 5 -1.133 -7.352 -5.673 30 H GLU 6 H GLU 6 0.299 -9.761 -3.016 31 HA GLU 6 HA GLU 6 2.173 -11.892 -2.542 32 HB2 GLU 6 HB2 GLU 6 0.625 -10.309 -0.919 33 HB3 GLU 6 HB3 GLU 6 -0.245 -11.836 -0.881 34 HG2 GLU 6 HG2 GLU 6 2.136 -12.826 -0.426 35 HG3 GLU 6 HG3 GLU 6 2.482 -11.181 0.106 36 H ALA 7 H ALA 7 0.928 -13.980 -1.551 37 HA ALA 7 HA ALA 7 -1.197 -14.841 -3.350 38 HB1 ALA 7 HB1 ALA 7 0.571 -15.556 -4.686 39 HB2 ALA 7 HB2 ALA 7 1.550 -16.037 -3.300 40 HB3 ALA 7 HB3 ALA 7 0.144 -16.996 -3.761 41 H ASP 8 H ASP 8 -1.488 -17.402 -2.785 42 HA ASP 8 HA ASP 8 -1.541 -17.584 0.155 43 HB2 ASP 8 HB2 ASP 8 -3.748 -17.583 -1.703 44 HB3 ASP 8 HB3 ASP 8 -3.690 -19.110 -0.827 45 HA PRO 9 HA PRO 9 0.260 -21.570 -0.157 46 HB2 PRO 9 HB2 PRO 9 -1.026 -22.946 1.799 47 HB3 PRO 9 HB3 PRO 9 0.167 -21.686 2.136 48 HG2 PRO 9 HG2 PRO 9 -2.821 -21.518 2.155 49 HG3 PRO 9 HG3 PRO 9 -1.656 -20.842 3.308 50 HD2 PRO 9 HD2 PRO 9 -2.826 -19.350 1.375 51 HD3 PRO 9 HD3 PRO 9 -1.180 -19.035 1.959 52 H ARG 10 H ARG 10 -3.267 -21.469 -0.148 53 HA ARG 10 HA ARG 10 -3.433 -24.095 -1.395 54 HB2 ARG 10 HB2 ARG 10 -5.324 -22.239 -0.080 55 HB3 ARG 10 HB3 ARG 10 -5.984 -23.194 -1.401 56 HG2 ARG 10 HG2 ARG 10 -6.387 -24.381 0.612 57 HG3 ARG 10 HG3 ARG 10 -5.108 -25.235 -0.255 58 HD2 ARG 10 HD2 ARG 10 -3.433 -24.123 1.159 59 HD3 ARG 10 HD3 ARG 10 -4.728 -23.312 2.039 60 HE ARG 10 HE ARG 10 -5.090 -25.244 3.209 61 HH11 ARG 10 HH11 ARG 10 -3.192 -25.967 0.382 62 HH12 ARG 10 HH12 ARG 10 -2.889 -27.609 0.845 63 HH21 ARG 10 HH21 ARG 10 -4.698 -27.403 3.830 64 HH22 ARG 10 HH22 ARG 10 -3.747 -28.425 2.807 65 H LEU 11 H LEU 11 -2.471 -21.364 -2.595 66 HA LEU 11 HA LEU 11 -4.043 -21.599 -5.076 67 HB2 LEU 11 HB2 LEU 11 -4.499 -19.473 -4.105 68 HB3 LEU 11 HB3 LEU 11 -2.788 -19.178 -3.804 69 HG LEU 11 HG LEU 11 -2.481 -19.133 -6.312 70 HD11 LEU 11 HD11 LEU 11 -4.241 -19.991 -7.420 71 HD12 LEU 11 HD12 LEU 11 -4.873 -18.351 -7.282 72 HD13 LEU 11 HD13 LEU 11 -5.383 -19.591 -6.137 73 HD21 LEU 11 HD21 LEU 11 -3.929 -17.124 -4.675 74 HD22 LEU 11 HD22 LEU 11 -3.812 -16.843 -6.412 75 HD23 LEU 11 HD23 LEU 11 -2.346 -17.030 -5.448 76 H ILE 12 H ILE 12 -0.856 -20.710 -3.770 77 HA ILE 12 HA ILE 12 0.580 -20.610 -6.131 78 HB ILE 12 HB ILE 12 2.578 -21.157 -4.808 79 HG12 ILE 12 HG12 ILE 12 1.869 -21.338 -2.208 80 HG13 ILE 12 HG13 ILE 12 0.517 -22.190 -2.946 81 HG21 ILE 12 HG21 ILE 12 1.530 -19.444 -2.816 82 HG22 ILE 12 HG22 ILE 12 2.501 -19.019 -4.225 83 HG23 ILE 12 HG23 ILE 12 0.741 -19.034 -4.339 84 HD11 ILE 12 HD11 ILE 12 2.994 -23.084 -4.081 85 HD12 ILE 12 HD12 ILE 12 3.037 -23.206 -2.323 86 HD13 ILE 12 HD13 ILE 12 1.751 -24.001 -3.232 87 H GLU 13 H GLU 13 -0.588 -23.379 -4.368 88 HA GLU 13 HA GLU 13 1.036 -25.395 -5.358 89 HB2 GLU 13 HB2 GLU 13 -1.031 -26.860 -5.073 90 HB3 GLU 13 HB3 GLU 13 -0.479 -25.983 -3.653 91 HG2 GLU 13 HG2 GLU 13 -2.433 -24.973 -3.445 92 HG3 GLU 13 HG3 GLU 13 -2.365 -24.391 -5.107 93 H SER 14 H SER 14 -1.723 -23.796 -6.845 94 HA SER 14 HA SER 14 -1.786 -25.562 -9.114 95 HB2 SER 14 HB2 SER 14 -3.156 -22.931 -8.530 96 HB3 SER 14 HB3 SER 14 -3.395 -23.836 -10.025 97 HG SER 14 HG SER 14 -4.694 -25.114 -8.993 98 H LEU 15 H LEU 15 -0.825 -22.174 -8.595 99 HA LEU 15 HA LEU 15 -0.013 -21.502 -11.129 100 HB2 LEU 15 HB2 LEU 15 1.154 -20.749 -8.461 101 HB3 LEU 15 HB3 LEU 15 1.687 -20.023 -9.977 102 HG LEU 15 HG LEU 15 -1.188 -19.859 -9.678 103 HD11 LEU 15 HD11 LEU 15 -1.057 -18.116 -7.859 104 HD12 LEU 15 HD12 LEU 15 0.538 -18.762 -7.473 105 HD13 LEU 15 HD13 LEU 15 -0.888 -19.791 -7.335 106 HD21 LEU 15 HD21 LEU 15 -0.859 -17.878 -10.691 107 HD22 LEU 15 HD22 LEU 15 0.755 -18.519 -10.998 108 HD23 LEU 15 HD23 LEU 15 0.482 -17.438 -9.632 109 H SER 16 H SER 16 1.829 -23.250 -8.661 110 HA SER 16 HA SER 16 4.302 -23.385 -9.858 111 HB2 SER 16 HB2 SER 16 2.815 -25.403 -8.180 112 HB3 SER 16 HB3 SER 16 4.475 -25.671 -8.714 113 HG SER 16 HG SER 16 3.671 -24.296 -6.624 114 H GLN 17 H GLN 17 1.386 -25.146 -10.660 115 HA GLN 17 HA GLN 17 2.719 -26.941 -12.479 116 HB2 GLN 17 HB2 GLN 17 -0.245 -26.421 -12.333 117 HB3 GLN 17 HB3 GLN 17 0.574 -27.868 -12.906 118 HG2 GLN 17 HG2 GLN 17 1.438 -27.573 -10.286 119 HG3 GLN 17 HG3 GLN 17 -0.274 -27.156 -10.242 120 HE21 GLN 17 HE21 GLN 17 -0.950 -28.963 -9.177 121 HE22 GLN 17 HE22 GLN 17 -0.899 -30.548 -9.861 122 H MET 18 H MET 18 0.756 -24.016 -12.709 123 HA MET 18 HA MET 18 0.547 -23.994 -15.531 124 HB2 MET 18 HB2 MET 18 0.470 -21.602 -13.689 125 HB3 MET 18 HB3 MET 18 -0.236 -21.729 -15.295 126 HG2 MET 18 HG2 MET 18 -1.222 -23.796 -13.535 127 HG3 MET 18 HG3 MET 18 -1.499 -22.186 -12.874 128 HE1 MET 18 HE1 MET 18 -2.858 -23.624 -16.999 129 HE2 MET 18 HE2 MET 18 -1.568 -22.421 -16.967 130 HE3 MET 18 HE3 MET 18 -1.338 -23.980 -16.177 131 H LEU 19 H LEU 19 2.578 -21.996 -13.379 132 HA LEU 19 HA LEU 19 4.107 -20.780 -15.348 133 HB2 LEU 19 HB2 LEU 19 5.127 -21.587 -12.634 134 HB3 LEU 19 HB3 LEU 19 5.686 -20.250 -13.636 135 HG LEU 19 HG LEU 19 3.023 -20.441 -12.231 136 HD11 LEU 19 HD11 LEU 19 3.987 -19.429 -10.512 137 HD12 LEU 19 HD12 LEU 19 4.638 -18.171 -11.562 138 HD13 LEU 19 HD13 LEU 19 5.550 -19.657 -11.296 139 HD21 LEU 19 HD21 LEU 19 4.154 -18.153 -13.835 140 HD22 LEU 19 HD22 LEU 19 2.575 -18.234 -13.054 141 HD23 LEU 19 HD23 LEU 19 2.932 -19.279 -14.429 142 H SER 20 H SER 20 4.422 -23.949 -13.889 143 HA SER 20 HA SER 20 7.000 -24.472 -15.060 144 HB2 SER 20 HB2 SER 20 6.263 -25.511 -12.918 145 HB3 SER 20 HB3 SER 20 5.048 -26.422 -13.814 146 HG SER 20 HG SER 20 7.612 -27.019 -13.439 147 H MET 21 H MET 21 3.682 -24.878 -15.961 148 HA MET 21 HA MET 21 4.207 -26.817 -18.027 149 HB2 MET 21 HB2 MET 21 1.839 -25.427 -16.934 150 HB3 MET 21 HB3 MET 21 1.749 -25.854 -18.637 151 HG2 MET 21 HG2 MET 21 2.278 -28.190 -18.043 152 HG3 MET 21 HG3 MET 21 2.253 -27.731 -16.342 153 HE1 MET 21 HE1 MET 21 -0.139 -25.486 -16.660 154 HE2 MET 21 HE2 MET 21 -1.527 -26.432 -16.123 155 HE3 MET 21 HE3 MET 21 0.001 -26.533 -15.247 156 H GLY 22 H GLY 22 3.954 -23.342 -17.769 157 HA2 GLY 22 HA2 GLY 22 5.375 -22.315 -19.640 158 HA3 GLY 22 HA3 GLY 22 4.214 -23.108 -20.695 159 H PHE 23 H PHE 23 3.809 -21.274 -17.673 160 HA PHE 23 HA PHE 23 2.299 -19.247 -19.153 161 HB2 PHE 23 HB2 PHE 23 1.283 -20.751 -16.735 162 HB3 PHE 23 HB3 PHE 23 0.541 -19.284 -17.365 163 HD1 PHE 23 HD1 PHE 23 1.137 -22.846 -17.953 164 HD2 PHE 23 HD2 PHE 23 -0.734 -19.309 -19.404 165 HE1 PHE 23 HE1 PHE 23 -0.206 -24.199 -19.507 166 HE2 PHE 23 HE2 PHE 23 -2.081 -20.657 -20.961 167 HZ PHE 23 HZ PHE 23 -1.817 -23.105 -21.015 168 H SER 24 H SER 24 1.595 -17.473 -17.441 169 HA SER 24 HA SER 24 3.668 -17.054 -15.433 170 HB2 SER 24 HB2 SER 24 3.949 -15.923 -17.945 171 HB3 SER 24 HB3 SER 24 3.224 -14.625 -16.996 172 HG SER 24 HG SER 24 5.653 -15.996 -16.551 173 H ASP 25 H ASP 25 3.150 -14.483 -14.725 174 HA ASP 25 HA ASP 25 0.262 -14.417 -14.161 175 HB2 ASP 25 HB2 ASP 25 0.920 -13.500 -11.869 176 HB3 ASP 25 HB3 ASP 25 1.172 -15.223 -12.134 177 H GLU 26 H GLU 26 1.779 -12.988 -16.160 178 HA GLU 26 HA GLU 26 2.537 -10.419 -15.497 179 HB2 GLU 26 HB2 GLU 26 1.058 -11.278 -17.990 180 HB3 GLU 26 HB3 GLU 26 2.002 -9.806 -17.810 181 HG2 GLU 26 HG2 GLU 26 3.800 -11.738 -17.101 182 HG3 GLU 26 HG3 GLU 26 2.865 -12.533 -18.366 183 H GLY 27 H GLY 27 1.470 -8.933 -14.377 184 HA2 GLY 27 HA2 GLY 27 -0.201 -7.344 -14.018 185 HA3 GLY 27 HA3 GLY 27 -1.222 -8.193 -15.169 186 H GLY 28 H GLY 28 -1.461 -10.678 -14.181 187 HA2 GLY 28 HA2 GLY 28 -1.764 -11.586 -11.801 188 HA3 GLY 28 HA3 GLY 28 -2.810 -10.187 -11.608 189 H TRP 29 H TRP 29 -2.421 -12.533 -14.257 190 HA TRP 29 HA TRP 29 -5.327 -12.852 -14.310 191 HB2 TRP 29 HB2 TRP 29 -5.085 -13.695 -16.513 192 HB3 TRP 29 HB3 TRP 29 -3.963 -12.342 -16.398 193 HD1 TRP 29 HD1 TRP 29 -1.332 -12.932 -16.337 194 HE1 TRP 29 HE1 TRP 29 -0.039 -15.002 -17.154 195 HE3 TRP 29 HE3 TRP 29 -5.233 -16.209 -16.765 196 HZ2 TRP 29 HZ2 TRP 29 -0.598 -17.671 -17.884 197 HZ3 TRP 29 HZ3 TRP 29 -4.769 -18.501 -17.530 198 HH2 TRP 29 HH2 TRP 29 -2.499 -19.215 -18.078 199 H LEU 30 H LEU 30 -2.495 -14.485 -13.303 200 HA LEU 30 HA LEU 30 -3.910 -17.056 -13.176 201 HB2 LEU 30 HB2 LEU 30 -1.583 -16.803 -14.221 202 HB3 LEU 30 HB3 LEU 30 -1.003 -16.619 -12.567 203 HG LEU 30 HG LEU 30 -1.921 -18.867 -12.050 204 HD11 LEU 30 HD11 LEU 30 -3.049 -20.140 -13.525 205 HD12 LEU 30 HD12 LEU 30 -2.119 -19.559 -14.905 206 HD13 LEU 30 HD13 LEU 30 -3.436 -18.583 -14.256 207 HD21 LEU 30 HD21 LEU 30 0.414 -18.182 -13.384 208 HD22 LEU 30 HD22 LEU 30 -0.207 -19.574 -14.271 209 HD23 LEU 30 HD23 LEU 30 0.087 -19.694 -12.536 210 H THR 31 H THR 31 -3.558 -14.423 -11.329 211 HA THR 31 HA THR 31 -3.017 -15.781 -8.808 212 HB THR 31 HB THR 31 -2.007 -13.587 -9.106 213 HG1 THR 31 HG1 THR 31 -2.409 -13.796 -6.998 214 HG21 THR 31 HG21 THR 31 -3.067 -11.810 -9.958 215 HG22 THR 31 HG22 THR 31 -4.443 -12.012 -8.875 216 HG23 THR 31 HG23 THR 31 -4.367 -12.922 -10.384 217 H ARG 32 H ARG 32 -5.680 -14.741 -10.714 218 HA ARG 32 HA ARG 32 -7.506 -15.267 -8.461 219 HB2 ARG 32 HB2 ARG 32 -8.020 -13.509 -10.867 220 HB3 ARG 32 HB3 ARG 32 -9.123 -13.782 -9.525 221 HG2 ARG 32 HG2 ARG 32 -6.469 -12.785 -8.765 222 HG3 ARG 32 HG3 ARG 32 -7.447 -11.674 -9.728 223 HD2 ARG 32 HD2 ARG 32 -9.006 -12.949 -7.649 224 HD3 ARG 32 HD3 ARG 32 -7.610 -12.101 -6.985 225 HE ARG 32 HE ARG 32 -8.894 -10.431 -8.839 226 HH11 ARG 32 HH11 ARG 32 -9.405 -11.829 -5.692 227 HH12 ARG 32 HH12 ARG 32 -10.421 -10.539 -5.140 228 HH21 ARG 32 HH21 ARG 32 -10.231 -8.726 -8.123 229 HH22 ARG 32 HH22 ARG 32 -10.891 -8.775 -6.524 230 H LEU 33 H LEU 33 -6.668 -15.950 -11.760 231 HA LEU 33 HA LEU 33 -8.944 -17.156 -12.740 232 HB2 LEU 33 HB2 LEU 33 -7.199 -16.933 -14.251 233 HB3 LEU 33 HB3 LEU 33 -6.028 -17.664 -13.156 234 HG LEU 33 HG LEU 33 -7.025 -19.865 -13.566 235 HD11 LEU 33 HD11 LEU 33 -9.297 -19.315 -14.013 236 HD12 LEU 33 HD12 LEU 33 -8.641 -20.073 -15.464 237 HD13 LEU 33 HD13 LEU 33 -8.847 -18.323 -15.400 238 HD21 LEU 33 HD21 LEU 33 -6.513 -19.865 -16.128 239 HD22 LEU 33 HD22 LEU 33 -5.227 -19.542 -14.965 240 HD23 LEU 33 HD23 LEU 33 -5.995 -18.207 -15.823 241 H LEU 34 H LEU 34 -6.313 -18.731 -10.923 242 HA LEU 34 HA LEU 34 -7.460 -21.278 -10.803 243 HB2 LEU 34 HB2 LEU 34 -5.507 -19.841 -9.034 244 HB3 LEU 34 HB3 LEU 34 -6.021 -21.492 -8.696 245 HG LEU 34 HG LEU 34 -3.924 -21.605 -9.808 246 HD11 LEU 34 HD11 LEU 34 -4.427 -23.060 -11.550 247 HD12 LEU 34 HD12 LEU 34 -5.865 -22.155 -12.021 248 HD13 LEU 34 HD13 LEU 34 -5.873 -23.115 -10.542 249 HD21 LEU 34 HD21 LEU 34 -3.247 -20.329 -11.560 250 HD22 LEU 34 HD22 LEU 34 -4.449 -19.229 -10.886 251 HD23 LEU 34 HD23 LEU 34 -4.861 -20.245 -12.269 252 H GLN 35 H GLN 35 -7.664 -18.565 -8.521 253 HA GLN 35 HA GLN 35 -9.137 -19.788 -6.516 254 HB2 GLN 35 HB2 GLN 35 -9.113 -16.936 -7.491 255 HB3 GLN 35 HB3 GLN 35 -10.026 -17.443 -6.077 256 HG2 GLN 35 HG2 GLN 35 -7.991 -18.165 -4.984 257 HG3 GLN 35 HG3 GLN 35 -7.052 -17.752 -6.418 258 HE21 GLN 35 HE21 GLN 35 -7.626 -16.757 -3.441 259 HE22 GLN 35 HE22 GLN 35 -7.499 -15.044 -3.629 260 H THR 36 H THR 36 -10.187 -18.482 -9.595 261 HA THR 36 HA THR 36 -12.991 -18.716 -8.982 262 HB THR 36 HB THR 36 -12.824 -18.553 -11.735 263 HG1 THR 36 HG1 THR 36 -10.858 -17.911 -12.163 264 HG21 THR 36 HG21 THR 36 -14.236 -16.964 -11.027 265 HG22 THR 36 HG22 THR 36 -12.818 -15.922 -10.910 266 HG23 THR 36 HG23 THR 36 -13.397 -16.787 -9.486 267 H LYS 37 H LYS 37 -10.537 -20.812 -10.087 268 HA LYS 37 HA LYS 37 -12.518 -22.717 -11.135 269 HB2 LYS 37 HB2 LYS 37 -9.514 -22.683 -11.484 270 HB3 LYS 37 HB3 LYS 37 -10.610 -23.868 -12.182 271 HG2 LYS 37 HG2 LYS 37 -10.484 -20.928 -12.812 272 HG3 LYS 37 HG3 LYS 37 -10.008 -22.266 -13.860 273 HD2 LYS 37 HD2 LYS 37 -12.484 -23.036 -13.493 274 HD3 LYS 37 HD3 LYS 37 -12.738 -21.339 -13.077 275 HE2 LYS 37 HE2 LYS 37 -12.693 -20.742 -15.219 276 HE3 LYS 37 HE3 LYS 37 -11.160 -21.573 -15.474 277 HZ1 LYS 37 HZ1 LYS 37 -12.189 -23.439 -16.228 278 HZ2 LYS 37 HZ2 LYS 37 -13.334 -22.297 -16.725 279 HZ3 LYS 37 HZ3 LYS 37 -13.591 -23.194 -15.314 280 H ASN 38 H ASN 38 -11.489 -22.037 -8.274 281 HA ASN 38 HA ASN 38 -11.194 -23.164 -6.321 282 HB2 ASN 38 HB2 ASN 38 -13.125 -24.500 -7.427 283 HB3 ASN 38 HB3 ASN 38 -11.899 -25.729 -7.722 284 HD21 ASN 38 HD21 ASN 38 -13.149 -23.679 -5.114 285 HD22 ASN 38 HD22 ASN 38 -13.026 -24.881 -3.879 286 H TYR 39 H TYR 39 -8.915 -22.733 -7.834 287 HA TYR 39 HA TYR 39 -6.743 -23.368 -8.079 288 HB2 TYR 39 HB2 TYR 39 -7.220 -25.377 -5.888 289 HB3 TYR 39 HB3 TYR 39 -5.751 -24.475 -6.246 290 HD1 TYR 39 HD1 TYR 39 -6.343 -21.758 -6.277 291 HD2 TYR 39 HD2 TYR 39 -8.201 -24.761 -3.903 292 HE1 TYR 39 HE1 TYR 39 -6.986 -20.049 -4.629 293 HE2 TYR 39 HE2 TYR 39 -8.851 -23.061 -2.250 294 HH TYR 39 HH TYR 39 -7.724 -19.748 -2.482 295 H ASP 40 H ASP 40 -7.964 -24.415 -10.072 296 HA ASP 40 HA ASP 40 -7.336 -27.292 -10.111 297 HB2 ASP 40 HB2 ASP 40 -9.555 -25.728 -11.190 298 HB3 ASP 40 HB3 ASP 40 -8.819 -26.787 -12.390 299 H ILE 41 H ILE 41 -6.233 -28.160 -11.904 300 HA ILE 41 HA ILE 41 -4.521 -26.207 -13.264 301 HB ILE 41 HB ILE 41 -4.086 -29.177 -13.305 302 HG12 ILE 41 HG12 ILE 41 -4.332 -28.587 -10.954 303 HG13 ILE 41 HG13 ILE 41 -2.639 -28.910 -11.316 304 HG21 ILE 41 HG21 ILE 41 -2.136 -28.682 -14.270 305 HG22 ILE 41 HG22 ILE 41 -2.802 -27.069 -14.521 306 HG23 ILE 41 HG23 ILE 41 -1.794 -27.397 -13.111 307 HD11 ILE 41 HD11 ILE 41 -3.001 -26.961 -9.840 308 HD12 ILE 41 HD12 ILE 41 -2.138 -26.571 -11.327 309 HD13 ILE 41 HD13 ILE 41 -3.846 -26.161 -11.165 310 H GLY 42 H GLY 42 -6.812 -28.796 -13.860 311 HA2 GLY 42 HA2 GLY 42 -6.360 -28.797 -16.715 312 HA3 GLY 42 HA3 GLY 42 -7.596 -29.699 -15.851 313 H ALA 43 H ALA 43 -8.285 -26.997 -14.527 314 HA ALA 43 HA ALA 43 -10.220 -26.236 -16.571 315 HB1 ALA 43 HB1 ALA 43 -10.201 -24.919 -13.914 316 HB2 ALA 43 HB2 ALA 43 -11.557 -25.479 -14.894 317 HB3 ALA 43 HB3 ALA 43 -10.598 -26.637 -13.972 318 H ALA 44 H ALA 44 -7.403 -24.989 -14.939 319 HA ALA 44 HA ALA 44 -7.787 -22.289 -15.901 320 HB1 ALA 44 HB1 ALA 44 -5.739 -21.766 -14.774 321 HB2 ALA 44 HB2 ALA 44 -6.705 -22.796 -13.718 322 HB3 ALA 44 HB3 ALA 44 -5.340 -23.475 -14.604 323 H LEU 45 H LEU 45 -6.470 -25.179 -17.104 324 HA LEU 45 HA LEU 45 -4.463 -24.028 -18.793 325 HB2 LEU 45 HB2 LEU 45 -5.696 -26.714 -18.456 326 HB3 LEU 45 HB3 LEU 45 -4.835 -26.370 -19.955 327 HG LEU 45 HG LEU 45 -3.586 -26.052 -17.233 328 HD11 LEU 45 HD11 LEU 45 -4.339 -28.462 -18.493 329 HD12 LEU 45 HD12 LEU 45 -3.339 -28.245 -17.057 330 HD13 LEU 45 HD13 LEU 45 -2.589 -28.312 -18.652 331 HD21 LEU 45 HD21 LEU 45 -2.776 -25.097 -19.644 332 HD22 LEU 45 HD22 LEU 45 -1.970 -26.666 -19.603 333 HD23 LEU 45 HD23 LEU 45 -1.695 -25.499 -18.309 334 H ASP 46 H ASP 46 -7.859 -24.383 -18.962 335 HA ASP 46 HA ASP 46 -7.829 -23.828 -21.853 336 HB2 ASP 46 HB2 ASP 46 -9.291 -25.718 -20.405 337 HB3 ASP 46 HB3 ASP 46 -10.449 -24.442 -20.768 338 H THR 47 H THR 47 -7.475 -21.953 -19.529 339 HA THR 47 HA THR 47 -9.786 -20.194 -20.027 340 HB THR 47 HB THR 47 -7.860 -19.839 -17.744 341 HG1 THR 47 HG1 THR 47 -9.076 -21.999 -17.913 342 HG21 THR 47 HG21 THR 47 -10.495 -18.752 -18.561 343 HG22 THR 47 HG22 THR 47 -9.147 -17.959 -17.747 344 HG23 THR 47 HG23 THR 47 -10.232 -19.010 -16.836 345 H ILE 48 H ILE 48 -7.067 -20.624 -21.450 346 HA ILE 48 HA ILE 48 -6.299 -17.778 -21.490 347 HB ILE 48 HB ILE 48 -4.382 -19.831 -22.464 348 HG12 ILE 48 HG12 ILE 48 -3.544 -19.716 -19.933 349 HG13 ILE 48 HG13 ILE 48 -5.268 -19.524 -19.636 350 HG21 ILE 48 HG21 ILE 48 -2.812 -18.192 -21.308 351 HG22 ILE 48 HG22 ILE 48 -3.679 -17.607 -22.727 352 HG23 ILE 48 HG23 ILE 48 -4.224 -17.154 -21.112 353 HD11 ILE 48 HD11 ILE 48 -4.842 -21.672 -21.473 354 HD12 ILE 48 HD12 ILE 48 -3.843 -21.898 -20.038 355 HD13 ILE 48 HD13 ILE 48 -5.588 -21.696 -19.876 356 H GLN 49 H GLN 49 -7.038 -20.643 -23.347 357 HA GLN 49 HA GLN 49 -6.277 -19.912 -25.890 358 HB2 GLN 49 HB2 GLN 49 -8.865 -21.306 -25.196 359 HB3 GLN 49 HB3 GLN 49 -7.987 -21.408 -26.716 360 HG2 GLN 49 HG2 GLN 49 -7.113 -22.474 -24.044 361 HG3 GLN 49 HG3 GLN 49 -7.613 -23.406 -25.453 362 HE21 GLN 49 HE21 GLN 49 -6.281 -23.090 -27.423 363 HE22 GLN 49 HE22 GLN 49 -4.575 -22.909 -27.220 364 H TYR 50 H TYR 50 -9.255 -19.046 -24.172 365 HA TYR 50 HA TYR 50 -9.482 -16.577 -25.573 366 HB2 TYR 50 HB2 TYR 50 -11.487 -16.975 -26.828 367 HB3 TYR 50 HB3 TYR 50 -10.316 -18.204 -27.293 368 HD1 TYR 50 HD1 TYR 50 -13.450 -17.566 -25.490 369 HD2 TYR 50 HD2 TYR 50 -10.677 -20.531 -26.764 370 HE1 TYR 50 HE1 TYR 50 -15.089 -19.321 -24.956 371 HE2 TYR 50 HE2 TYR 50 -12.309 -22.293 -26.235 372 HH TYR 50 HH TYR 50 -15.040 -21.770 -24.373 373 H SER 51 H SER 51 -10.697 -15.158 -24.440 374 HA SER 51 HA SER 51 -12.911 -15.787 -22.835 375 HB2 SER 51 HB2 SER 51 -11.701 -15.251 -20.596 376 HB3 SER 51 HB3 SER 51 -11.588 -16.885 -21.250 377 HG SER 51 HG SER 51 -9.576 -15.993 -22.292 378 H LYS 52 H LYS 52 -10.148 -13.682 -22.074 379 HA LYS 52 HA LYS 52 -11.792 -11.356 -22.805 380 HB2 LYS 52 HB2 LYS 52 -11.113 -12.098 -20.182 381 HB3 LYS 52 HB3 LYS 52 -10.042 -10.762 -20.583 382 HG2 LYS 52 HG2 LYS 52 -13.043 -10.713 -20.835 383 HG3 LYS 52 HG3 LYS 52 -12.117 -10.024 -19.500 384 HD2 LYS 52 HD2 LYS 52 -11.701 -8.169 -20.661 385 HD3 LYS 52 HD3 LYS 52 -11.105 -9.099 -22.038 386 HE2 LYS 52 HE2 LYS 52 -12.969 -7.771 -22.758 387 HE3 LYS 52 HE3 LYS 52 -13.460 -9.464 -22.737 388 HZ1 LYS 52 HZ1 LYS 52 -14.134 -7.374 -20.744 389 HZ2 LYS 52 HZ2 LYS 52 -14.437 -9.022 -20.505 390 HZ3 LYS 52 HZ3 LYS 52 -15.196 -8.197 -21.772 391 H HIS 53 H HIS 53 -8.552 -12.599 -22.106 392 HA HIS 53 HA HIS 53 -7.188 -10.333 -23.176 393 HB2 HIS 53 HB2 HIS 53 -6.261 -13.142 -22.555 394 HB3 HIS 53 HB3 HIS 53 -5.186 -11.859 -23.104 395 HD1 HIS 53 HD1 HIS 53 -6.303 -13.404 -20.108 396 HD2 HIS 53 HD2 HIS 53 -5.431 -9.496 -21.218 397 HE1 HIS 53 HE1 HIS 53 -5.912 -12.164 -17.955 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 1.999 4.224 -3.055 2 HA2 GLY 1 HA2 GLY 1 3.100 3.411 -4.952 3 HA3 GLY 1 HA3 GLY 1 4.636 3.624 -4.124 4 HA PRO 2 HA PRO 2 2.814 -0.554 -2.499 5 HB2 PRO 2 HB2 PRO 2 0.599 -1.486 -3.763 6 HB3 PRO 2 HB3 PRO 2 0.525 -0.445 -2.337 7 HG2 PRO 2 HG2 PRO 2 0.223 0.276 -5.227 8 HG3 PRO 2 HG3 PRO 2 -0.724 0.825 -3.832 9 HD2 PRO 2 HD2 PRO 2 1.233 2.329 -4.946 10 HD3 PRO 2 HD3 PRO 2 0.857 2.384 -3.212 11 H LEU 3 H LEU 3 3.630 -2.474 -3.200 12 HA LEU 3 HA LEU 3 3.439 -3.509 -5.795 13 HB2 LEU 3 HB2 LEU 3 5.183 -1.392 -5.729 14 HB3 LEU 3 HB3 LEU 3 6.253 -2.776 -5.519 15 HG LEU 3 HG LEU 3 5.034 -3.711 -7.615 16 HD11 LEU 3 HD11 LEU 3 3.267 -2.123 -7.805 17 HD12 LEU 3 HD12 LEU 3 4.366 -1.863 -9.159 18 HD13 LEU 3 HD13 LEU 3 4.400 -0.772 -7.775 19 HD21 LEU 3 HD21 LEU 3 6.648 -2.558 -9.066 20 HD22 LEU 3 HD22 LEU 3 7.384 -3.112 -7.562 21 HD23 LEU 3 HD23 LEU 3 6.977 -1.408 -7.769 22 H GLY 4 H GLY 4 3.338 -5.558 -5.118 23 HA2 GLY 4 HA2 GLY 4 5.688 -6.670 -3.774 24 HA3 GLY 4 HA3 GLY 4 4.131 -6.872 -2.984 25 H SER 5 H SER 5 2.450 -7.438 -5.037 26 HA SER 5 HA SER 5 1.669 -9.206 -6.241 27 HB2 SER 5 HB2 SER 5 4.477 -8.899 -7.261 28 HB3 SER 5 HB3 SER 5 3.460 -10.215 -7.849 29 HG SER 5 HG SER 5 3.276 -8.350 -9.156 30 H GLU 6 H GLU 6 1.838 -10.063 -3.836 31 HA GLU 6 HA GLU 6 3.671 -12.282 -3.533 32 HB2 GLU 6 HB2 GLU 6 1.390 -11.377 -1.767 33 HB3 GLU 6 HB3 GLU 6 2.591 -12.591 -1.347 34 HG2 GLU 6 HG2 GLU 6 3.607 -9.936 -2.150 35 HG3 GLU 6 HG3 GLU 6 2.772 -10.040 -0.602 36 H ALA 7 H ALA 7 2.338 -14.259 -2.358 37 HA ALA 7 HA ALA 7 0.042 -14.982 -4.008 38 HB1 ALA 7 HB1 ALA 7 2.026 -15.762 -5.248 39 HB2 ALA 7 HB2 ALA 7 2.492 -16.734 -3.851 40 HB3 ALA 7 HB3 ALA 7 0.994 -17.089 -4.713 41 H ASP 8 H ASP 8 -0.260 -17.590 -3.317 42 HA ASP 8 HA ASP 8 -0.233 -17.631 -0.377 43 HB2 ASP 8 HB2 ASP 8 -2.544 -17.474 -2.097 44 HB3 ASP 8 HB3 ASP 8 -2.571 -18.976 -1.177 45 HA PRO 9 HA PRO 9 1.169 -21.777 -0.662 46 HB2 PRO 9 HB2 PRO 9 -0.110 -22.969 1.415 47 HB3 PRO 9 HB3 PRO 9 1.213 -21.818 1.635 48 HG2 PRO 9 HG2 PRO 9 -1.740 -21.369 1.831 49 HG3 PRO 9 HG3 PRO 9 -0.445 -20.773 2.886 50 HD2 PRO 9 HD2 PRO 9 -1.595 -19.233 0.978 51 HD3 PRO 9 HD3 PRO 9 0.108 -19.058 1.449 52 H ARG 10 H ARG 10 -2.329 -21.359 -0.418 53 HA ARG 10 HA ARG 10 -2.811 -23.986 -1.576 54 HB2 ARG 10 HB2 ARG 10 -4.569 -21.841 -0.423 55 HB3 ARG 10 HB3 ARG 10 -5.258 -23.137 -1.393 56 HG2 ARG 10 HG2 ARG 10 -5.164 -24.566 0.301 57 HG3 ARG 10 HG3 ARG 10 -3.477 -24.170 0.632 58 HD2 ARG 10 HD2 ARG 10 -4.533 -23.526 2.588 59 HD3 ARG 10 HD3 ARG 10 -4.446 -22.013 1.687 60 HE ARG 10 HE ARG 10 -6.733 -22.003 1.544 61 HH11 ARG 10 HH11 ARG 10 -5.656 -25.160 2.541 62 HH12 ARG 10 HH12 ARG 10 -7.252 -25.737 2.891 63 HH21 ARG 10 HH21 ARG 10 -8.839 -22.752 2.002 64 HH22 ARG 10 HH22 ARG 10 -9.062 -24.367 2.583 65 H LEU 11 H LEU 11 -1.707 -21.365 -2.911 66 HA LEU 11 HA LEU 11 -3.452 -21.532 -5.281 67 HB2 LEU 11 HB2 LEU 11 -3.674 -19.354 -4.338 68 HB3 LEU 11 HB3 LEU 11 -1.928 -19.189 -4.164 69 HG LEU 11 HG LEU 11 -1.793 -19.223 -6.684 70 HD11 LEU 11 HD11 LEU 11 -4.171 -18.295 -7.530 71 HD12 LEU 11 HD12 LEU 11 -4.706 -19.445 -6.305 72 HD13 LEU 11 HD13 LEU 11 -3.685 -19.988 -7.637 73 HD21 LEU 11 HD21 LEU 11 -3.351 -16.984 -5.396 74 HD22 LEU 11 HD22 LEU 11 -2.435 -16.880 -6.900 75 HD23 LEU 11 HD23 LEU 11 -1.596 -17.169 -5.375 76 H ILE 12 H ILE 12 -0.127 -20.879 -4.200 77 HA ILE 12 HA ILE 12 1.163 -20.936 -6.643 78 HB ILE 12 HB ILE 12 3.187 -21.614 -5.444 79 HG12 ILE 12 HG12 ILE 12 2.572 -21.739 -2.788 80 HG13 ILE 12 HG13 ILE 12 1.193 -22.573 -3.495 81 HG21 ILE 12 HG21 ILE 12 1.418 -19.448 -4.557 82 HG22 ILE 12 HG22 ILE 12 2.714 -19.852 -3.432 83 HG23 ILE 12 HG23 ILE 12 3.098 -19.398 -5.092 84 HD11 ILE 12 HD11 ILE 12 2.428 -24.344 -4.146 85 HD12 ILE 12 HD12 ILE 12 3.861 -23.369 -4.471 86 HD13 ILE 12 HD13 ILE 12 3.449 -23.807 -2.813 87 H GLU 13 H GLU 13 -0.103 -23.580 -4.751 88 HA GLU 13 HA GLU 13 1.271 -25.738 -5.806 89 HB2 GLU 13 HB2 GLU 13 -0.757 -27.071 -5.283 90 HB3 GLU 13 HB3 GLU 13 -0.261 -26.020 -3.964 91 HG2 GLU 13 HG2 GLU 13 -2.427 -25.472 -3.902 92 HG3 GLU 13 HG3 GLU 13 -2.008 -24.411 -5.246 93 H SER 14 H SER 14 -1.551 -24.044 -7.105 94 HA SER 14 HA SER 14 -1.856 -25.788 -9.347 95 HB2 SER 14 HB2 SER 14 -2.954 -23.035 -8.750 96 HB3 SER 14 HB3 SER 14 -3.372 -23.954 -10.196 97 HG SER 14 HG SER 14 -3.950 -24.537 -7.497 98 H LEU 15 H LEU 15 -0.569 -22.492 -8.966 99 HA LEU 15 HA LEU 15 0.127 -21.932 -11.560 100 HB2 LEU 15 HB2 LEU 15 1.513 -21.247 -8.983 101 HB3 LEU 15 HB3 LEU 15 2.042 -20.612 -10.539 102 HG LEU 15 HG LEU 15 -0.787 -20.154 -10.093 103 HD11 LEU 15 HD11 LEU 15 1.175 -19.155 -8.046 104 HD12 LEU 15 HD12 LEU 15 -0.329 -20.035 -7.777 105 HD13 LEU 15 HD13 LEU 15 -0.373 -18.371 -8.360 106 HD21 LEU 15 HD21 LEU 15 -0.330 -18.249 -11.202 107 HD22 LEU 15 HD22 LEU 15 1.185 -19.067 -11.587 108 HD23 LEU 15 HD23 LEU 15 1.119 -17.918 -10.251 109 H SER 16 H SER 16 1.980 -23.792 -9.182 110 HA SER 16 HA SER 16 4.336 -24.172 -10.550 111 HB2 SER 16 HB2 SER 16 3.837 -24.973 -8.229 112 HB3 SER 16 HB3 SER 16 2.921 -26.305 -8.935 113 HG SER 16 HG SER 16 5.466 -26.281 -8.438 114 H GLN 17 H GLN 17 1.228 -25.695 -11.078 115 HA GLN 17 HA GLN 17 2.260 -27.641 -12.936 116 HB2 GLN 17 HB2 GLN 17 -0.628 -26.855 -12.591 117 HB3 GLN 17 HB3 GLN 17 0.017 -28.382 -13.179 118 HG2 GLN 17 HG2 GLN 17 1.097 -28.103 -10.638 119 HG3 GLN 17 HG3 GLN 17 -0.565 -27.538 -10.483 120 HE21 GLN 17 HE21 GLN 17 0.976 -30.087 -12.411 121 HE22 GLN 17 HE22 GLN 17 -0.044 -31.364 -11.852 122 H MET 18 H MET 18 0.550 -24.557 -13.112 123 HA MET 18 HA MET 18 0.133 -24.585 -15.912 124 HB2 MET 18 HB2 MET 18 0.398 -22.152 -14.144 125 HB3 MET 18 HB3 MET 18 -0.435 -22.256 -15.689 126 HG2 MET 18 HG2 MET 18 -1.464 -24.189 -13.810 127 HG3 MET 18 HG3 MET 18 -1.540 -22.551 -13.163 128 HE1 MET 18 HE1 MET 18 -1.778 -24.382 -16.429 129 HE2 MET 18 HE2 MET 18 -3.341 -23.948 -17.123 130 HE3 MET 18 HE3 MET 18 -1.981 -22.832 -17.247 131 H LEU 19 H LEU 19 2.478 -22.716 -13.973 132 HA LEU 19 HA LEU 19 3.957 -21.688 -16.082 133 HB2 LEU 19 HB2 LEU 19 5.100 -22.516 -13.423 134 HB3 LEU 19 HB3 LEU 19 5.699 -21.259 -14.503 135 HG LEU 19 HG LEU 19 3.126 -21.173 -12.929 136 HD11 LEU 19 HD11 LEU 19 4.288 -20.257 -11.281 137 HD12 LEU 19 HD12 LEU 19 4.982 -19.066 -12.381 138 HD13 LEU 19 HD13 LEU 19 5.773 -20.626 -12.159 139 HD21 LEU 19 HD21 LEU 19 2.938 -20.023 -15.083 140 HD22 LEU 19 HD22 LEU 19 4.391 -19.095 -14.713 141 HD23 LEU 19 HD23 LEU 19 2.938 -18.882 -13.737 142 H SER 20 H SER 20 4.089 -24.842 -14.572 143 HA SER 20 HA SER 20 6.526 -25.615 -15.903 144 HB2 SER 20 HB2 SER 20 5.891 -26.543 -13.691 145 HB3 SER 20 HB3 SER 20 4.506 -27.335 -14.442 146 HG SER 20 HG SER 20 5.783 -28.818 -15.230 147 H MET 21 H MET 21 3.112 -25.809 -16.515 148 HA MET 21 HA MET 21 3.306 -27.820 -18.555 149 HB2 MET 21 HB2 MET 21 1.171 -26.166 -17.359 150 HB3 MET 21 HB3 MET 21 0.918 -26.631 -19.036 151 HG2 MET 21 HG2 MET 21 1.256 -28.990 -18.395 152 HG3 MET 21 HG3 MET 21 1.394 -28.482 -16.713 153 HE1 MET 21 HE1 MET 21 -0.650 -27.028 -15.519 154 HE2 MET 21 HE2 MET 21 -0.781 -26.016 -16.958 155 HE3 MET 21 HE3 MET 21 -2.216 -26.801 -16.298 156 H GLY 22 H GLY 22 3.352 -24.319 -18.425 157 HA2 GLY 22 HA2 GLY 22 4.753 -23.506 -20.428 158 HA3 GLY 22 HA3 GLY 22 3.444 -24.210 -21.366 159 H PHE 23 H PHE 23 3.436 -22.258 -18.391 160 HA PHE 23 HA PHE 23 2.037 -20.131 -19.839 161 HB2 PHE 23 HB2 PHE 23 1.050 -21.438 -17.297 162 HB3 PHE 23 HB3 PHE 23 0.405 -19.937 -17.955 163 HD1 PHE 23 HD1 PHE 23 -0.955 -19.938 -19.957 164 HD2 PHE 23 HD2 PHE 23 0.590 -23.561 -18.344 165 HE1 PHE 23 HE1 PHE 23 -2.518 -21.224 -21.357 166 HE2 PHE 23 HE2 PHE 23 -0.969 -24.853 -19.741 167 HZ PHE 23 HZ PHE 23 -2.527 -23.684 -21.249 168 H SER 24 H SER 24 1.622 -18.257 -18.125 169 HA SER 24 HA SER 24 3.883 -17.989 -16.299 170 HB2 SER 24 HB2 SER 24 3.367 -15.711 -18.174 171 HB3 SER 24 HB3 SER 24 4.841 -16.128 -17.299 172 HG SER 24 HG SER 24 3.788 -17.279 -19.649 173 H ASP 25 H ASP 25 3.649 -15.373 -15.610 174 HA ASP 25 HA ASP 25 0.835 -15.032 -14.825 175 HB2 ASP 25 HB2 ASP 25 1.643 -14.252 -12.587 176 HB3 ASP 25 HB3 ASP 25 1.927 -15.963 -12.895 177 H GLU 26 H GLU 26 2.373 -13.770 -16.939 178 HA GLU 26 HA GLU 26 3.397 -11.277 -16.349 179 HB2 GLU 26 HB2 GLU 26 1.812 -12.205 -18.744 180 HB3 GLU 26 HB3 GLU 26 2.588 -10.630 -18.659 181 HG2 GLU 26 HG2 GLU 26 4.496 -12.617 -17.954 182 HG3 GLU 26 HG3 GLU 26 3.701 -13.100 -19.451 183 H GLY 27 H GLY 27 2.547 -9.633 -15.269 184 HA2 GLY 27 HA2 GLY 27 1.042 -7.908 -14.840 185 HA3 GLY 27 HA3 GLY 27 -0.119 -8.692 -15.901 186 H GLY 28 H GLY 28 -0.561 -11.098 -14.847 187 HA2 GLY 28 HA2 GLY 28 -0.776 -11.924 -12.417 188 HA3 GLY 28 HA3 GLY 28 -1.682 -10.433 -12.206 189 H TRP 29 H TRP 29 -1.659 -12.878 -14.794 190 HA TRP 29 HA TRP 29 -4.581 -12.939 -14.663 191 HB2 TRP 29 HB2 TRP 29 -4.553 -13.845 -16.855 192 HB3 TRP 29 HB3 TRP 29 -3.314 -12.592 -16.845 193 HD1 TRP 29 HD1 TRP 29 -0.744 -13.411 -16.926 194 HE1 TRP 29 HE1 TRP 29 0.312 -15.601 -17.770 195 HE3 TRP 29 HE3 TRP 29 -4.933 -16.338 -17.042 196 HZ2 TRP 29 HZ2 TRP 29 -0.522 -18.223 -18.402 197 HZ3 TRP 29 HZ3 TRP 29 -4.718 -18.676 -17.779 198 HH2 TRP 29 HH2 TRP 29 -2.558 -19.596 -18.445 199 H LEU 30 H LEU 30 -1.838 -14.789 -13.793 200 HA LEU 30 HA LEU 30 -3.451 -17.228 -13.516 201 HB2 LEU 30 HB2 LEU 30 -1.174 -17.187 -14.697 202 HB3 LEU 30 HB3 LEU 30 -0.488 -17.027 -13.081 203 HG LEU 30 HG LEU 30 -1.548 -19.180 -12.465 204 HD11 LEU 30 HD11 LEU 30 -1.993 -19.946 -15.261 205 HD12 LEU 30 HD12 LEU 30 -3.154 -18.788 -14.615 206 HD13 LEU 30 HD13 LEU 30 -2.917 -20.339 -13.812 207 HD21 LEU 30 HD21 LEU 30 -0.066 -20.099 -14.761 208 HD22 LEU 30 HD22 LEU 30 0.361 -20.154 -13.051 209 HD23 LEU 30 HD23 LEU 30 0.730 -18.717 -14.005 210 H THR 31 H THR 31 -2.793 -14.597 -11.759 211 HA THR 31 HA THR 31 -2.211 -15.943 -9.239 212 HB THR 31 HB THR 31 -1.045 -13.848 -9.642 213 HG1 THR 31 HG1 THR 31 -1.297 -13.286 -7.605 214 HG21 THR 31 HG21 THR 31 -1.999 -12.025 -10.515 215 HG22 THR 31 HG22 THR 31 -3.305 -12.053 -9.331 216 HG23 THR 31 HG23 THR 31 -3.427 -13.020 -10.801 217 H ARG 32 H ARG 32 -4.887 -14.712 -11.015 218 HA ARG 32 HA ARG 32 -6.615 -15.047 -8.650 219 HB2 ARG 32 HB2 ARG 32 -7.123 -13.300 -11.065 220 HB3 ARG 32 HB3 ARG 32 -8.167 -13.455 -9.658 221 HG2 ARG 32 HG2 ARG 32 -5.403 -12.666 -9.067 222 HG3 ARG 32 HG3 ARG 32 -6.337 -11.498 -10.004 223 HD2 ARG 32 HD2 ARG 32 -7.919 -12.561 -7.849 224 HD3 ARG 32 HD3 ARG 32 -6.399 -11.913 -7.234 225 HE ARG 32 HE ARG 32 -8.603 -10.426 -8.272 226 HH11 ARG 32 HH11 ARG 32 -5.139 -10.444 -7.929 227 HH12 ARG 32 HH12 ARG 32 -4.992 -8.720 -8.000 228 HH21 ARG 32 HH21 ARG 32 -8.423 -8.154 -8.367 229 HH22 ARG 32 HH22 ARG 32 -6.861 -7.418 -8.248 230 H LEU 33 H LEU 33 -6.022 -15.873 -11.967 231 HA LEU 33 HA LEU 33 -8.443 -16.902 -12.792 232 HB2 LEU 33 HB2 LEU 33 -6.774 -16.859 -14.401 233 HB3 LEU 33 HB3 LEU 33 -5.607 -17.662 -13.353 234 HG LEU 33 HG LEU 33 -6.774 -19.782 -13.658 235 HD11 LEU 33 HD11 LEU 33 -9.033 -19.078 -13.931 236 HD12 LEU 33 HD12 LEU 33 -8.553 -19.910 -15.410 237 HD13 LEU 33 HD13 LEU 33 -8.631 -18.149 -15.375 238 HD21 LEU 33 HD21 LEU 33 -6.515 -19.781 -16.296 239 HD22 LEU 33 HD22 LEU 33 -5.120 -19.697 -15.221 240 HD23 LEU 33 HD23 LEU 33 -5.746 -18.227 -15.969 241 H LEU 34 H LEU 34 -5.868 -18.618 -11.030 242 HA LEU 34 HA LEU 34 -7.220 -21.066 -10.793 243 HB2 LEU 34 HB2 LEU 34 -5.039 -19.777 -9.180 244 HB3 LEU 34 HB3 LEU 34 -5.669 -21.375 -8.788 245 HG LEU 34 HG LEU 34 -3.662 -21.677 -10.025 246 HD11 LEU 34 HD11 LEU 34 -5.791 -23.007 -10.622 247 HD12 LEU 34 HD12 LEU 34 -4.393 -23.111 -11.692 248 HD13 LEU 34 HD13 LEU 34 -5.758 -22.080 -12.122 249 HD21 LEU 34 HD21 LEU 34 -4.054 -19.273 -11.104 250 HD22 LEU 34 HD22 LEU 34 -4.629 -20.266 -12.443 251 HD23 LEU 34 HD23 LEU 34 -2.989 -20.477 -11.831 252 H GLN 35 H GLN 35 -7.025 -18.296 -8.579 253 HA GLN 35 HA GLN 35 -8.452 -19.321 -6.443 254 HB2 GLN 35 HB2 GLN 35 -8.195 -16.532 -7.537 255 HB3 GLN 35 HB3 GLN 35 -9.168 -16.864 -6.110 256 HG2 GLN 35 HG2 GLN 35 -7.229 -17.752 -4.961 257 HG3 GLN 35 HG3 GLN 35 -6.242 -17.504 -6.400 258 HE21 GLN 35 HE21 GLN 35 -7.410 -16.148 -3.540 259 HE22 GLN 35 HE22 GLN 35 -6.839 -14.536 -3.778 260 H THR 36 H THR 36 -9.613 -18.053 -9.496 261 HA THR 36 HA THR 36 -12.375 -18.014 -8.697 262 HB THR 36 HB THR 36 -12.357 -18.053 -11.472 263 HG1 THR 36 HG1 THR 36 -10.526 -17.199 -12.145 264 HG21 THR 36 HG21 THR 36 -12.378 -15.461 -11.085 265 HG22 THR 36 HG22 THR 36 -12.423 -15.918 -9.382 266 HG23 THR 36 HG23 THR 36 -13.697 -16.460 -10.475 267 H LYS 37 H LYS 37 -10.189 -20.344 -9.996 268 HA LYS 37 HA LYS 37 -12.399 -22.137 -10.713 269 HB2 LYS 37 HB2 LYS 37 -9.439 -22.418 -11.265 270 HB3 LYS 37 HB3 LYS 37 -10.702 -23.496 -11.844 271 HG2 LYS 37 HG2 LYS 37 -10.302 -20.609 -12.597 272 HG3 LYS 37 HG3 LYS 37 -10.044 -22.026 -13.619 273 HD2 LYS 37 HD2 LYS 37 -12.546 -22.519 -13.108 274 HD3 LYS 37 HD3 LYS 37 -12.611 -20.810 -12.671 275 HE2 LYS 37 HE2 LYS 37 -11.840 -20.178 -14.869 276 HE3 LYS 37 HE3 LYS 37 -11.610 -21.868 -15.312 277 HZ1 LYS 37 HZ1 LYS 37 -13.993 -20.290 -15.356 278 HZ2 LYS 37 HZ2 LYS 37 -14.211 -21.738 -14.508 279 HZ3 LYS 37 HZ3 LYS 37 -13.667 -21.769 -16.109 280 H ASN 38 H ASN 38 -11.122 -21.403 -7.975 281 HA ASN 38 HA ASN 38 -10.769 -22.446 -5.986 282 HB2 ASN 38 HB2 ASN 38 -12.877 -23.682 -6.923 283 HB3 ASN 38 HB3 ASN 38 -11.765 -25.030 -7.137 284 HD21 ASN 38 HD21 ASN 38 -12.539 -22.600 -4.666 285 HD22 ASN 38 HD22 ASN 38 -12.542 -23.707 -3.339 286 H TYR 39 H TYR 39 -8.587 -22.307 -7.699 287 HA TYR 39 HA TYR 39 -6.491 -23.129 -8.020 288 HB2 TYR 39 HB2 TYR 39 -7.010 -25.036 -5.749 289 HB3 TYR 39 HB3 TYR 39 -5.490 -24.284 -6.221 290 HD1 TYR 39 HD1 TYR 39 -5.851 -21.520 -6.304 291 HD2 TYR 39 HD2 TYR 39 -7.787 -24.290 -3.719 292 HE1 TYR 39 HE1 TYR 39 -6.229 -19.722 -4.669 293 HE2 TYR 39 HE2 TYR 39 -8.171 -22.500 -2.078 294 HH TYR 39 HH TYR 39 -7.043 -19.183 -2.680 295 H ASP 40 H ASP 40 -7.993 -24.117 -9.882 296 HA ASP 40 HA ASP 40 -7.597 -27.035 -9.889 297 HB2 ASP 40 HB2 ASP 40 -9.725 -25.289 -10.907 298 HB3 ASP 40 HB3 ASP 40 -9.186 -26.501 -12.066 299 H ILE 41 H ILE 41 -6.717 -28.038 -11.741 300 HA ILE 41 HA ILE 41 -4.939 -26.273 -13.268 301 HB ILE 41 HB ILE 41 -4.750 -29.269 -13.250 302 HG12 ILE 41 HG12 ILE 41 -4.796 -28.618 -10.904 303 HG13 ILE 41 HG13 ILE 41 -3.159 -29.076 -11.361 304 HG21 ILE 41 HG21 ILE 41 -2.308 -27.698 -13.239 305 HG22 ILE 41 HG22 ILE 41 -2.843 -28.950 -14.359 306 HG23 ILE 41 HG23 ILE 41 -3.373 -27.283 -14.582 307 HD11 ILE 41 HD11 ILE 41 -2.499 -26.770 -11.479 308 HD12 ILE 41 HD12 ILE 41 -4.155 -26.244 -11.183 309 HD13 ILE 41 HD13 ILE 41 -3.257 -27.083 -9.918 310 H GLY 42 H GLY 42 -7.502 -28.634 -13.614 311 HA2 GLY 42 HA2 GLY 42 -7.243 -28.795 -16.488 312 HA3 GLY 42 HA3 GLY 42 -8.510 -29.520 -15.509 313 H ALA 43 H ALA 43 -8.847 -26.731 -14.261 314 HA ALA 43 HA ALA 43 -10.821 -25.843 -16.205 315 HB1 ALA 43 HB1 ALA 43 -11.038 -26.069 -13.573 316 HB2 ALA 43 HB2 ALA 43 -10.437 -24.411 -13.635 317 HB3 ALA 43 HB3 ALA 43 -11.922 -24.843 -14.482 318 H ALA 44 H ALA 44 -7.855 -24.710 -14.686 319 HA ALA 44 HA ALA 44 -7.996 -22.087 -15.846 320 HB1 ALA 44 HB1 ALA 44 -5.604 -21.948 -15.035 321 HB2 ALA 44 HB2 ALA 44 -6.829 -22.239 -13.800 322 HB3 ALA 44 HB3 ALA 44 -5.830 -23.571 -14.381 323 H LEU 45 H LEU 45 -7.072 -25.153 -16.967 324 HA LEU 45 HA LEU 45 -5.058 -24.323 -18.823 325 HB2 LEU 45 HB2 LEU 45 -6.575 -26.820 -18.276 326 HB3 LEU 45 HB3 LEU 45 -5.799 -26.650 -19.850 327 HG LEU 45 HG LEU 45 -4.281 -26.327 -17.274 328 HD11 LEU 45 HD11 LEU 45 -4.044 -28.860 -18.757 329 HD12 LEU 45 HD12 LEU 45 -5.542 -28.635 -17.853 330 HD13 LEU 45 HD13 LEU 45 -3.989 -28.545 -17.022 331 HD21 LEU 45 HD21 LEU 45 -2.526 -25.977 -18.591 332 HD22 LEU 45 HD22 LEU 45 -3.642 -25.880 -19.953 333 HD23 LEU 45 HD23 LEU 45 -2.880 -27.418 -19.545 334 H ASP 46 H ASP 46 -8.498 -24.366 -18.806 335 HA ASP 46 HA ASP 46 -8.558 -23.857 -21.705 336 HB2 ASP 46 HB2 ASP 46 -10.104 -25.591 -20.153 337 HB3 ASP 46 HB3 ASP 46 -11.165 -24.225 -20.486 338 H THR 47 H THR 47 -7.924 -21.975 -19.456 339 HA THR 47 HA THR 47 -10.112 -20.044 -19.847 340 HB THR 47 HB THR 47 -7.987 -19.786 -17.733 341 HG1 THR 47 HG1 THR 47 -9.230 -21.849 -17.636 342 HG21 THR 47 HG21 THR 47 -10.602 -18.525 -18.362 343 HG22 THR 47 HG22 THR 47 -9.125 -17.805 -17.722 344 HG23 THR 47 HG23 THR 47 -10.185 -18.734 -16.661 345 H ILE 48 H ILE 48 -7.535 -20.735 -21.442 346 HA ILE 48 HA ILE 48 -6.569 -17.957 -21.649 347 HB ILE 48 HB ILE 48 -4.880 -20.181 -22.668 348 HG12 ILE 48 HG12 ILE 48 -3.857 -20.041 -20.208 349 HG13 ILE 48 HG13 ILE 48 -5.537 -19.707 -19.800 350 HG21 ILE 48 HG21 ILE 48 -3.143 -18.590 -21.598 351 HG22 ILE 48 HG22 ILE 48 -3.962 -18.093 -23.078 352 HG23 ILE 48 HG23 ILE 48 -4.483 -17.446 -21.522 353 HD11 ILE 48 HD11 ILE 48 -4.338 -22.193 -20.163 354 HD12 ILE 48 HD12 ILE 48 -6.055 -21.850 -19.958 355 HD13 ILE 48 HD13 ILE 48 -5.364 -21.955 -21.578 356 H GLN 49 H GLN 49 -7.660 -20.815 -23.330 357 HA GLN 49 HA GLN 49 -7.025 -20.246 -25.949 358 HB2 GLN 49 HB2 GLN 49 -9.671 -21.381 -25.036 359 HB3 GLN 49 HB3 GLN 49 -8.893 -21.629 -26.593 360 HG2 GLN 49 HG2 GLN 49 -7.988 -22.657 -23.917 361 HG3 GLN 49 HG3 GLN 49 -8.604 -23.595 -25.277 362 HE21 GLN 49 HE21 GLN 49 -5.870 -22.374 -23.753 363 HE22 GLN 49 HE22 GLN 49 -4.711 -22.736 -24.981 364 H TYR 50 H TYR 50 -9.746 -19.025 -24.043 365 HA TYR 50 HA TYR 50 -9.877 -16.603 -25.505 366 HB2 TYR 50 HB2 TYR 50 -11.944 -16.855 -26.680 367 HB3 TYR 50 HB3 TYR 50 -10.919 -18.209 -27.145 368 HD1 TYR 50 HD1 TYR 50 -13.904 -17.204 -25.260 369 HD2 TYR 50 HD2 TYR 50 -11.482 -20.471 -26.512 370 HE1 TYR 50 HE1 TYR 50 -15.686 -18.768 -24.605 371 HE2 TYR 50 HE2 TYR 50 -13.258 -22.044 -25.861 372 HH TYR 50 HH TYR 50 -16.343 -21.239 -25.388 373 H SER 51 H SER 51 -10.872 -15.077 -24.315 374 HA SER 51 HA SER 51 -13.074 -15.490 -22.616 375 HB2 SER 51 HB2 SER 51 -11.712 -15.033 -20.442 376 HB3 SER 51 HB3 SER 51 -11.793 -16.680 -21.067 377 HG SER 51 HG SER 51 -9.737 -16.575 -21.672 378 H LYS 52 H LYS 52 -10.105 -13.631 -22.008 379 HA LYS 52 HA LYS 52 -11.565 -11.176 -22.704 380 HB2 LYS 52 HB2 LYS 52 -9.779 -11.496 -20.285 381 HB3 LYS 52 HB3 LYS 52 -10.630 -10.033 -20.765 382 HG2 LYS 52 HG2 LYS 52 -12.084 -12.580 -20.133 383 HG3 LYS 52 HG3 LYS 52 -11.640 -11.412 -18.886 384 HD2 LYS 52 HD2 LYS 52 -13.023 -9.751 -19.790 385 HD3 LYS 52 HD3 LYS 52 -13.153 -10.581 -21.343 386 HE2 LYS 52 HE2 LYS 52 -14.197 -12.457 -19.723 387 HE3 LYS 52 HE3 LYS 52 -14.637 -11.007 -18.824 388 HZ1 LYS 52 HZ1 LYS 52 -16.305 -11.791 -20.498 389 HZ2 LYS 52 HZ2 LYS 52 -15.213 -11.348 -21.711 390 HZ3 LYS 52 HZ3 LYS 52 -15.834 -10.175 -20.663 391 H HIS 53 H HIS 53 -8.430 -12.709 -22.128 392 HA HIS 53 HA HIS 53 -6.814 -10.630 -23.106 393 HB2 HIS 53 HB2 HIS 53 -5.888 -12.474 -21.810 394 HB3 HIS 53 HB3 HIS 53 -6.317 -13.615 -23.082 395 HD1 HIS 53 HD1 HIS 53 -4.000 -14.367 -23.720 396 HD2 HIS 53 HD2 HIS 53 -4.420 -10.234 -23.770 397 HE1 HIS 53 HE1 HIS 53 -1.891 -13.490 -24.770 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 1.671 2.649 -10.139 2 HA2 GLY 1 HA2 GLY 1 3.695 2.805 -8.900 3 HA3 GLY 1 HA3 GLY 1 2.749 3.057 -7.441 4 HA PRO 2 HA PRO 2 4.202 -1.425 -7.876 5 HB2 PRO 2 HB2 PRO 2 5.940 -1.425 -5.790 6 HB3 PRO 2 HB3 PRO 2 6.420 -1.013 -7.441 7 HG2 PRO 2 HG2 PRO 2 5.769 0.800 -5.149 8 HG3 PRO 2 HG3 PRO 2 7.086 0.919 -6.331 9 HD2 PRO 2 HD2 PRO 2 4.822 2.393 -6.519 10 HD3 PRO 2 HD3 PRO 2 5.722 1.839 -7.945 11 H LEU 3 H LEU 3 3.025 -2.919 -6.843 12 HA LEU 3 HA LEU 3 2.041 -2.307 -4.136 13 HB2 LEU 3 HB2 LEU 3 0.547 -2.742 -6.543 14 HB3 LEU 3 HB3 LEU 3 0.193 -4.023 -5.387 15 HG LEU 3 HG LEU 3 0.016 -1.121 -4.630 16 HD11 LEU 3 HD11 LEU 3 -2.413 -2.652 -5.402 17 HD12 LEU 3 HD12 LEU 3 -1.427 -1.936 -6.677 18 HD13 LEU 3 HD13 LEU 3 -2.117 -0.913 -5.417 19 HD21 LEU 3 HD21 LEU 3 -0.928 -3.727 -3.496 20 HD22 LEU 3 HD22 LEU 3 -1.742 -2.216 -3.086 21 HD23 LEU 3 HD23 LEU 3 -0.032 -2.425 -2.711 22 H GLY 4 H GLY 4 1.542 -4.168 -2.815 23 HA2 GLY 4 HA2 GLY 4 3.536 -6.154 -2.908 24 HA3 GLY 4 HA3 GLY 4 2.114 -6.182 -1.875 25 H SER 5 H SER 5 3.625 -7.473 -4.651 26 HA SER 5 HA SER 5 1.171 -8.860 -5.470 27 HB2 SER 5 HB2 SER 5 2.609 -9.560 -7.454 28 HB3 SER 5 HB3 SER 5 2.234 -7.841 -7.339 29 HG SER 5 HG SER 5 4.657 -9.163 -7.025 30 H GLU 6 H GLU 6 1.412 -10.115 -3.418 31 HA GLU 6 HA GLU 6 3.479 -12.182 -3.535 32 HB2 GLU 6 HB2 GLU 6 1.625 -11.197 -1.397 33 HB3 GLU 6 HB3 GLU 6 2.336 -12.799 -1.265 34 HG2 GLU 6 HG2 GLU 6 4.091 -11.843 -0.319 35 HG3 GLU 6 HG3 GLU 6 4.472 -11.144 -1.891 36 H ALA 7 H ALA 7 2.627 -14.408 -2.703 37 HA ALA 7 HA ALA 7 0.157 -15.051 -4.178 38 HB1 ALA 7 HB1 ALA 7 1.252 -16.528 -5.420 39 HB2 ALA 7 HB2 ALA 7 2.760 -15.963 -4.700 40 HB3 ALA 7 HB3 ALA 7 1.895 -17.322 -3.982 41 H ASP 8 H ASP 8 -0.167 -17.656 -3.476 42 HA ASP 8 HA ASP 8 -0.255 -17.662 -0.537 43 HB2 ASP 8 HB2 ASP 8 -2.492 -17.557 -2.357 44 HB3 ASP 8 HB3 ASP 8 -2.540 -19.048 -1.419 45 HA PRO 9 HA PRO 9 1.209 -21.792 -0.701 46 HB2 PRO 9 HB2 PRO 9 -0.144 -22.972 1.336 47 HB3 PRO 9 HB3 PRO 9 1.155 -21.801 1.596 48 HG2 PRO 9 HG2 PRO 9 -1.810 -21.388 1.658 49 HG3 PRO 9 HG3 PRO 9 -0.569 -20.761 2.759 50 HD2 PRO 9 HD2 PRO 9 -1.654 -19.262 0.782 51 HD3 PRO 9 HD3 PRO 9 0.024 -19.059 1.323 52 H ARG 10 H ARG 10 -2.316 -21.480 -0.516 53 HA ARG 10 HA ARG 10 -2.692 -24.101 -1.717 54 HB2 ARG 10 HB2 ARG 10 -4.470 -22.057 -0.468 55 HB3 ARG 10 HB3 ARG 10 -5.179 -23.191 -1.609 56 HG2 ARG 10 HG2 ARG 10 -5.496 -24.383 0.284 57 HG3 ARG 10 HG3 ARG 10 -3.859 -24.930 -0.087 58 HD2 ARG 10 HD2 ARG 10 -3.032 -23.984 1.755 59 HD3 ARG 10 HD3 ARG 10 -3.857 -22.460 1.426 60 HE ARG 10 HE ARG 10 -4.686 -24.507 3.238 61 HH11 ARG 10 HH11 ARG 10 -5.823 -21.977 1.135 62 HH12 ARG 10 HH12 ARG 10 -7.297 -21.731 2.012 63 HH21 ARG 10 HH21 ARG 10 -6.622 -24.192 4.402 64 HH22 ARG 10 HH22 ARG 10 -7.750 -22.991 3.871 65 H LEU 11 H LEU 11 -1.686 -21.382 -2.987 66 HA LEU 11 HA LEU 11 -3.377 -21.583 -5.392 67 HB2 LEU 11 HB2 LEU 11 -3.638 -19.416 -4.456 68 HB3 LEU 11 HB3 LEU 11 -1.900 -19.239 -4.221 69 HG LEU 11 HG LEU 11 -1.694 -19.263 -6.747 70 HD11 LEU 11 HD11 LEU 11 -3.551 -19.932 -7.804 71 HD12 LEU 11 HD12 LEU 11 -4.089 -18.269 -7.571 72 HD13 LEU 11 HD13 LEU 11 -4.594 -19.526 -6.442 73 HD21 LEU 11 HD21 LEU 11 -2.911 -16.864 -6.768 74 HD22 LEU 11 HD22 LEU 11 -1.339 -17.155 -6.023 75 HD23 LEU 11 HD23 LEU 11 -2.796 -17.134 -5.029 76 H ILE 12 H ILE 12 -0.071 -21.000 -4.240 77 HA ILE 12 HA ILE 12 1.240 -21.006 -6.692 78 HB ILE 12 HB ILE 12 3.260 -21.680 -5.465 79 HG12 ILE 12 HG12 ILE 12 2.671 -21.763 -2.826 80 HG13 ILE 12 HG13 ILE 12 1.233 -22.537 -3.484 81 HG21 ILE 12 HG21 ILE 12 1.518 -19.465 -4.746 82 HG22 ILE 12 HG22 ILE 12 2.670 -19.872 -3.475 83 HG23 ILE 12 HG23 ILE 12 3.247 -19.479 -5.094 84 HD11 ILE 12 HD11 ILE 12 3.555 -23.629 -4.736 85 HD12 ILE 12 HD12 ILE 12 3.743 -23.683 -2.984 86 HD13 ILE 12 HD13 ILE 12 2.337 -24.431 -3.744 87 H GLU 13 H GLU 13 -0.014 -23.655 -4.799 88 HA GLU 13 HA GLU 13 1.399 -25.794 -5.869 89 HB2 GLU 13 HB2 GLU 13 -0.725 -27.114 -5.379 90 HB3 GLU 13 HB3 GLU 13 -0.004 -26.248 -4.029 91 HG2 GLU 13 HG2 GLU 13 -1.689 -24.680 -3.956 92 HG3 GLU 13 HG3 GLU 13 -2.157 -24.952 -5.633 93 H SER 14 H SER 14 -1.336 -24.011 -7.168 94 HA SER 14 HA SER 14 -1.760 -25.810 -9.364 95 HB2 SER 14 HB2 SER 14 -2.775 -23.016 -8.808 96 HB3 SER 14 HB3 SER 14 -3.259 -23.974 -10.208 97 HG SER 14 HG SER 14 -3.606 -24.712 -7.487 98 H LEU 15 H LEU 15 -0.479 -22.494 -9.104 99 HA LEU 15 HA LEU 15 0.224 -22.043 -11.714 100 HB2 LEU 15 HB2 LEU 15 1.701 -21.257 -9.209 101 HB3 LEU 15 HB3 LEU 15 2.055 -20.607 -10.808 102 HG LEU 15 HG LEU 15 -0.743 -20.294 -10.142 103 HD11 LEU 15 HD11 LEU 15 -0.275 -18.493 -8.422 104 HD12 LEU 15 HD12 LEU 15 1.305 -19.245 -8.209 105 HD13 LEU 15 HD13 LEU 15 -0.161 -20.162 -7.864 106 HD21 LEU 15 HD21 LEU 15 1.097 -19.079 -11.731 107 HD22 LEU 15 HD22 LEU 15 0.994 -17.943 -10.386 108 HD23 LEU 15 HD23 LEU 15 -0.460 -18.381 -11.282 109 H SER 16 H SER 16 1.976 -23.915 -9.295 110 HA SER 16 HA SER 16 4.393 -24.295 -10.564 111 HB2 SER 16 HB2 SER 16 4.224 -25.165 -8.386 112 HB3 SER 16 HB3 SER 16 2.766 -26.082 -8.769 113 HG SER 16 HG SER 16 3.961 -27.667 -9.463 114 H GLN 17 H GLN 17 1.319 -25.912 -11.144 115 HA GLN 17 HA GLN 17 2.410 -27.794 -13.014 116 HB2 GLN 17 HB2 GLN 17 -0.495 -27.041 -12.802 117 HB3 GLN 17 HB3 GLN 17 0.203 -28.578 -13.298 118 HG2 GLN 17 HG2 GLN 17 1.148 -28.224 -10.727 119 HG3 GLN 17 HG3 GLN 17 -0.508 -27.623 -10.659 120 HE21 GLN 17 HE21 GLN 17 -1.250 -29.312 -9.416 121 HE22 GLN 17 HE22 GLN 17 -1.422 -30.920 -10.026 122 H MET 18 H MET 18 0.707 -24.711 -13.216 123 HA MET 18 HA MET 18 0.321 -24.704 -16.010 124 HB2 MET 18 HB2 MET 18 0.664 -22.310 -14.197 125 HB3 MET 18 HB3 MET 18 -0.110 -22.328 -15.776 126 HG2 MET 18 HG2 MET 18 -1.271 -24.231 -13.902 127 HG3 MET 18 HG3 MET 18 -1.375 -22.558 -13.361 128 HE1 MET 18 HE1 MET 18 -2.824 -23.735 -17.565 129 HE2 MET 18 HE2 MET 18 -1.162 -23.784 -16.974 130 HE3 MET 18 HE3 MET 18 -2.321 -25.005 -16.447 131 H LEU 19 H LEU 19 2.796 -23.065 -14.030 132 HA LEU 19 HA LEU 19 4.299 -22.005 -16.111 133 HB2 LEU 19 HB2 LEU 19 5.397 -23.043 -13.506 134 HB3 LEU 19 HB3 LEU 19 6.107 -21.806 -14.542 135 HG LEU 19 HG LEU 19 3.422 -21.397 -13.270 136 HD11 LEU 19 HD11 LEU 19 4.352 -20.549 -11.311 137 HD12 LEU 19 HD12 LEU 19 5.975 -20.481 -11.996 138 HD13 LEU 19 HD13 LEU 19 5.254 -22.038 -11.590 139 HD21 LEU 19 HD21 LEU 19 5.300 -19.853 -14.857 140 HD22 LEU 19 HD22 LEU 19 4.845 -19.033 -13.364 141 HD23 LEU 19 HD23 LEU 19 3.599 -19.548 -14.501 142 H SER 20 H SER 20 4.394 -25.212 -14.656 143 HA SER 20 HA SER 20 6.708 -26.063 -16.114 144 HB2 SER 20 HB2 SER 20 6.178 -27.113 -13.986 145 HB3 SER 20 HB3 SER 20 4.612 -27.642 -14.602 146 HG SER 20 HG SER 20 7.172 -28.477 -15.499 147 H MET 21 H MET 21 3.284 -26.023 -16.684 148 HA MET 21 HA MET 21 3.361 -27.929 -18.842 149 HB2 MET 21 HB2 MET 21 1.313 -26.357 -17.437 150 HB3 MET 21 HB3 MET 21 0.999 -26.583 -19.152 151 HG2 MET 21 HG2 MET 21 1.212 -29.005 -18.864 152 HG3 MET 21 HG3 MET 21 1.497 -28.766 -17.142 153 HE1 MET 21 HE1 MET 21 -0.730 -26.199 -16.809 154 HE2 MET 21 HE2 MET 21 -1.921 -27.214 -15.995 155 HE3 MET 21 HE3 MET 21 -0.206 -27.406 -15.634 156 H GLY 22 H GLY 22 3.754 -24.508 -18.469 157 HA2 GLY 22 HA2 GLY 22 5.026 -23.519 -20.389 158 HA3 GLY 22 HA3 GLY 22 3.777 -24.215 -21.410 159 H PHE 23 H PHE 23 3.620 -22.393 -18.356 160 HA PHE 23 HA PHE 23 2.178 -20.261 -19.757 161 HB2 PHE 23 HB2 PHE 23 1.196 -21.720 -17.299 162 HB3 PHE 23 HB3 PHE 23 0.530 -20.189 -17.858 163 HD1 PHE 23 HD1 PHE 23 0.823 -23.772 -18.538 164 HD2 PHE 23 HD2 PHE 23 -0.858 -20.078 -19.821 165 HE1 PHE 23 HE1 PHE 23 -0.705 -24.990 -20.032 166 HE2 PHE 23 HE2 PHE 23 -2.389 -21.291 -21.317 167 HZ PHE 23 HZ PHE 23 -2.313 -23.750 -21.425 168 H SER 24 H SER 24 1.620 -18.521 -17.880 169 HA SER 24 HA SER 24 3.792 -18.229 -15.989 170 HB2 SER 24 HB2 SER 24 3.474 -15.904 -17.830 171 HB3 SER 24 HB3 SER 24 4.895 -16.445 -16.935 172 HG SER 24 HG SER 24 3.795 -17.650 -19.259 173 H ASP 25 H ASP 25 3.540 -15.604 -15.326 174 HA ASP 25 HA ASP 25 0.679 -15.235 -14.749 175 HB2 ASP 25 HB2 ASP 25 1.198 -14.584 -12.464 176 HB3 ASP 25 HB3 ASP 25 1.815 -16.204 -12.775 177 H GLU 26 H GLU 26 2.574 -14.013 -16.693 178 HA GLU 26 HA GLU 26 3.399 -11.468 -15.957 179 HB2 GLU 26 HB2 GLU 26 2.306 -12.292 -18.652 180 HB3 GLU 26 HB3 GLU 26 3.348 -10.914 -18.329 181 HG2 GLU 26 HG2 GLU 26 4.644 -13.203 -17.303 182 HG3 GLU 26 HG3 GLU 26 4.064 -13.601 -18.919 183 H GLY 27 H GLY 27 2.276 -9.832 -15.149 184 HA2 GLY 27 HA2 GLY 27 0.658 -8.122 -15.278 185 HA3 GLY 27 HA3 GLY 27 -0.302 -9.140 -16.340 186 H GLY 28 H GLY 28 -0.249 -11.477 -14.671 187 HA2 GLY 28 HA2 GLY 28 -0.911 -12.036 -12.386 188 HA3 GLY 28 HA3 GLY 28 -1.800 -10.521 -12.347 189 H TRP 29 H TRP 29 -1.730 -12.929 -14.937 190 HA TRP 29 HA TRP 29 -4.639 -13.043 -14.847 191 HB2 TRP 29 HB2 TRP 29 -4.542 -14.005 -17.014 192 HB3 TRP 29 HB3 TRP 29 -3.308 -12.749 -16.994 193 HD1 TRP 29 HD1 TRP 29 -0.733 -13.562 -16.968 194 HE1 TRP 29 HE1 TRP 29 0.354 -15.767 -17.729 195 HE3 TRP 29 HE3 TRP 29 -4.911 -16.501 -17.163 196 HZ2 TRP 29 HZ2 TRP 29 -0.453 -18.404 -18.332 197 HZ3 TRP 29 HZ3 TRP 29 -4.668 -18.853 -17.842 198 HH2 TRP 29 HH2 TRP 29 -2.484 -19.783 -18.414 199 H LEU 30 H LEU 30 -1.912 -14.910 -13.910 200 HA LEU 30 HA LEU 30 -3.581 -17.303 -13.557 201 HB2 LEU 30 HB2 LEU 30 -1.339 -17.357 -14.799 202 HB3 LEU 30 HB3 LEU 30 -0.603 -17.180 -13.207 203 HG LEU 30 HG LEU 30 -1.732 -19.286 -12.516 204 HD11 LEU 30 HD11 LEU 30 -2.242 -19.920 -15.376 205 HD12 LEU 30 HD12 LEU 30 -3.434 -18.962 -14.497 206 HD13 LEU 30 HD13 LEU 30 -2.996 -20.570 -13.919 207 HD21 LEU 30 HD21 LEU 30 0.173 -20.284 -13.063 208 HD22 LEU 30 HD22 LEU 30 0.540 -18.920 -14.120 209 HD23 LEU 30 HD23 LEU 30 -0.292 -20.336 -14.764 210 H THR 31 H THR 31 -2.734 -14.652 -11.879 211 HA THR 31 HA THR 31 -2.153 -15.967 -9.346 212 HB THR 31 HB THR 31 -0.951 -13.886 -9.931 213 HG1 THR 31 HG1 THR 31 -0.889 -13.661 -7.836 214 HG21 THR 31 HG21 THR 31 -1.959 -11.944 -10.480 215 HG22 THR 31 HG22 THR 31 -3.254 -12.166 -9.305 216 HG23 THR 31 HG23 THR 31 -3.333 -12.978 -10.869 217 H ARG 32 H ARG 32 -4.829 -14.685 -11.077 218 HA ARG 32 HA ARG 32 -6.499 -14.879 -8.656 219 HB2 ARG 32 HB2 ARG 32 -7.020 -13.195 -11.112 220 HB3 ARG 32 HB3 ARG 32 -8.016 -13.260 -9.665 221 HG2 ARG 32 HG2 ARG 32 -5.210 -12.566 -9.183 222 HG3 ARG 32 HG3 ARG 32 -6.111 -11.398 -10.152 223 HD2 ARG 32 HD2 ARG 32 -7.732 -12.244 -7.959 224 HD3 ARG 32 HD3 ARG 32 -6.152 -11.754 -7.350 225 HE ARG 32 HE ARG 32 -8.184 -10.054 -8.414 226 HH11 ARG 32 HH11 ARG 32 -4.743 -10.436 -8.050 227 HH12 ARG 32 HH12 ARG 32 -4.413 -8.738 -8.139 228 HH21 ARG 32 HH21 ARG 32 -7.763 -7.815 -8.532 229 HH22 ARG 32 HH22 ARG 32 -6.132 -7.248 -8.412 230 H LEU 33 H LEU 33 -6.024 -15.845 -11.951 231 HA LEU 33 HA LEU 33 -8.520 -16.814 -12.651 232 HB2 LEU 33 HB2 LEU 33 -6.938 -16.843 -14.343 233 HB3 LEU 33 HB3 LEU 33 -5.730 -17.637 -13.335 234 HG LEU 33 HG LEU 33 -6.909 -19.749 -13.540 235 HD11 LEU 33 HD11 LEU 33 -8.899 -18.138 -15.121 236 HD12 LEU 33 HD12 LEU 33 -9.182 -19.065 -13.649 237 HD13 LEU 33 HD13 LEU 33 -8.816 -19.899 -15.159 238 HD21 LEU 33 HD21 LEU 33 -6.376 -18.328 -16.142 239 HD22 LEU 33 HD22 LEU 33 -6.661 -20.063 -16.011 240 HD23 LEU 33 HD23 LEU 33 -5.264 -19.337 -15.217 241 H LEU 34 H LEU 34 -5.865 -18.698 -11.187 242 HA LEU 34 HA LEU 34 -7.213 -21.070 -10.790 243 HB2 LEU 34 HB2 LEU 34 -5.008 -19.728 -9.271 244 HB3 LEU 34 HB3 LEU 34 -5.652 -21.282 -8.744 245 HG LEU 34 HG LEU 34 -3.670 -21.692 -10.003 246 HD11 LEU 34 HD11 LEU 34 -5.735 -23.118 -10.391 247 HD12 LEU 34 HD12 LEU 34 -4.463 -23.213 -11.608 248 HD13 LEU 34 HD13 LEU 34 -5.912 -22.258 -11.920 249 HD21 LEU 34 HD21 LEU 34 -3.061 -20.672 -11.944 250 HD22 LEU 34 HD22 LEU 34 -4.071 -19.393 -11.269 251 HD23 LEU 34 HD23 LEU 34 -4.725 -20.477 -12.497 252 H GLN 35 H GLN 35 -7.047 -18.265 -8.621 253 HA GLN 35 HA GLN 35 -8.419 -19.255 -6.445 254 HB2 GLN 35 HB2 GLN 35 -8.512 -16.473 -7.621 255 HB3 GLN 35 HB3 GLN 35 -9.119 -16.896 -6.025 256 HG2 GLN 35 HG2 GLN 35 -6.826 -17.671 -5.437 257 HG3 GLN 35 HG3 GLN 35 -6.272 -17.033 -6.985 258 HE21 GLN 35 HE21 GLN 35 -4.863 -15.728 -5.635 259 HE22 GLN 35 HE22 GLN 35 -5.465 -14.252 -4.970 260 H THR 36 H THR 36 -9.740 -17.852 -9.416 261 HA THR 36 HA THR 36 -12.463 -18.069 -8.581 262 HB THR 36 HB THR 36 -13.071 -17.334 -10.741 263 HG1 THR 36 HG1 THR 36 -10.733 -18.641 -11.489 264 HG21 THR 36 HG21 THR 36 -10.484 -15.972 -10.863 265 HG22 THR 36 HG22 THR 36 -11.221 -15.954 -9.261 266 HG23 THR 36 HG23 THR 36 -12.103 -15.309 -10.645 267 H LYS 37 H LYS 37 -10.181 -20.228 -9.990 268 HA LYS 37 HA LYS 37 -12.291 -22.101 -10.788 269 HB2 LYS 37 HB2 LYS 37 -9.309 -22.268 -11.256 270 HB3 LYS 37 HB3 LYS 37 -10.528 -23.342 -11.930 271 HG2 LYS 37 HG2 LYS 37 -10.163 -20.416 -12.531 272 HG3 LYS 37 HG3 LYS 37 -9.840 -21.776 -13.609 273 HD2 LYS 37 HD2 LYS 37 -12.359 -22.334 -13.176 274 HD3 LYS 37 HD3 LYS 37 -12.453 -20.630 -12.723 275 HE2 LYS 37 HE2 LYS 37 -12.405 -19.989 -14.855 276 HE3 LYS 37 HE3 LYS 37 -10.979 -20.972 -15.180 277 HZ1 LYS 37 HZ1 LYS 37 -12.303 -22.242 -16.405 278 HZ2 LYS 37 HZ2 LYS 37 -13.702 -21.470 -15.849 279 HZ3 LYS 37 HZ3 LYS 37 -13.045 -22.762 -14.977 280 H ASN 38 H ASN 38 -11.112 -21.393 -7.996 281 HA ASN 38 HA ASN 38 -10.695 -22.471 -6.037 282 HB2 ASN 38 HB2 ASN 38 -12.844 -23.633 -6.928 283 HB3 ASN 38 HB3 ASN 38 -11.777 -24.997 -7.252 284 HD21 ASN 38 HD21 ASN 38 -12.663 -22.735 -4.677 285 HD22 ASN 38 HD22 ASN 38 -12.538 -23.881 -3.390 286 H TYR 39 H TYR 39 -8.512 -22.320 -7.698 287 HA TYR 39 HA TYR 39 -6.451 -23.196 -8.113 288 HB2 TYR 39 HB2 TYR 39 -6.940 -25.079 -5.816 289 HB3 TYR 39 HB3 TYR 39 -5.427 -24.336 -6.322 290 HD1 TYR 39 HD1 TYR 39 -5.825 -21.560 -6.437 291 HD2 TYR 39 HD2 TYR 39 -7.621 -24.329 -3.752 292 HE1 TYR 39 HE1 TYR 39 -6.164 -19.750 -4.806 293 HE2 TYR 39 HE2 TYR 39 -7.966 -22.527 -2.114 294 HH TYR 39 HH TYR 39 -6.495 -19.936 -1.895 295 H ASP 40 H ASP 40 -7.819 -24.152 -9.999 296 HA ASP 40 HA ASP 40 -7.580 -27.088 -9.950 297 HB2 ASP 40 HB2 ASP 40 -9.624 -25.282 -11.008 298 HB3 ASP 40 HB3 ASP 40 -9.089 -26.481 -12.182 299 H ILE 41 H ILE 41 -6.648 -28.149 -11.724 300 HA ILE 41 HA ILE 41 -4.790 -26.470 -13.249 301 HB ILE 41 HB ILE 41 -4.703 -29.472 -13.113 302 HG12 ILE 41 HG12 ILE 41 -4.712 -28.679 -10.807 303 HG13 ILE 41 HG13 ILE 41 -3.102 -29.240 -11.243 304 HG21 ILE 41 HG21 ILE 41 -3.266 -27.616 -14.563 305 HG22 ILE 41 HG22 ILE 41 -2.208 -27.989 -13.203 306 HG23 ILE 41 HG23 ILE 41 -2.792 -29.285 -14.247 307 HD11 ILE 41 HD11 ILE 41 -3.951 -26.356 -11.252 308 HD12 ILE 41 HD12 ILE 41 -3.122 -27.154 -9.916 309 HD13 ILE 41 HD13 ILE 41 -2.322 -26.991 -11.479 310 H GLY 42 H GLY 42 -7.489 -28.634 -13.602 311 HA2 GLY 42 HA2 GLY 42 -7.131 -28.902 -16.473 312 HA3 GLY 42 HA3 GLY 42 -8.435 -29.587 -15.514 313 H ALA 43 H ALA 43 -8.764 -26.793 -14.301 314 HA ALA 43 HA ALA 43 -10.634 -25.867 -16.334 315 HB1 ALA 43 HB1 ALA 43 -11.429 -26.117 -14.036 316 HB2 ALA 43 HB2 ALA 43 -10.240 -24.933 -13.493 317 HB3 ALA 43 HB3 ALA 43 -11.542 -24.442 -14.577 318 H ALA 44 H ALA 44 -7.671 -24.889 -14.760 319 HA ALA 44 HA ALA 44 -7.720 -22.189 -15.714 320 HB1 ALA 44 HB1 ALA 44 -5.291 -23.708 -14.796 321 HB2 ALA 44 HB2 ALA 44 -5.565 -21.965 -14.765 322 HB3 ALA 44 HB3 ALA 44 -6.473 -23.020 -13.681 323 H LEU 45 H LEU 45 -6.717 -25.236 -16.998 324 HA LEU 45 HA LEU 45 -4.898 -24.230 -18.951 325 HB2 LEU 45 HB2 LEU 45 -6.310 -26.832 -18.522 326 HB3 LEU 45 HB3 LEU 45 -5.438 -26.531 -20.024 327 HG LEU 45 HG LEU 45 -4.168 -26.376 -17.294 328 HD11 LEU 45 HD11 LEU 45 -3.666 -28.574 -17.335 329 HD12 LEU 45 HD12 LEU 45 -3.562 -28.631 -19.094 330 HD13 LEU 45 HD13 LEU 45 -5.137 -28.668 -18.303 331 HD21 LEU 45 HD21 LEU 45 -2.195 -25.996 -18.350 332 HD22 LEU 45 HD22 LEU 45 -3.268 -25.266 -19.544 333 HD23 LEU 45 HD23 LEU 45 -2.660 -26.903 -19.789 334 H ASP 46 H ASP 46 -8.306 -24.364 -18.713 335 HA ASP 46 HA ASP 46 -8.593 -23.878 -21.602 336 HB2 ASP 46 HB2 ASP 46 -10.006 -25.594 -19.922 337 HB3 ASP 46 HB3 ASP 46 -11.089 -24.224 -20.151 338 H THR 47 H THR 47 -7.750 -21.946 -19.499 339 HA THR 47 HA THR 47 -9.954 -20.007 -19.762 340 HB THR 47 HB THR 47 -7.739 -19.791 -17.733 341 HG1 THR 47 HG1 THR 47 -10.290 -21.019 -17.374 342 HG21 THR 47 HG21 THR 47 -8.748 -17.809 -17.460 343 HG22 THR 47 HG22 THR 47 -10.061 -18.715 -16.708 344 HG23 THR 47 HG23 THR 47 -10.146 -18.294 -18.419 345 H ILE 48 H ILE 48 -7.220 -20.794 -21.241 346 HA ILE 48 HA ILE 48 -6.306 -18.015 -21.582 347 HB ILE 48 HB ILE 48 -4.684 -20.269 -22.639 348 HG12 ILE 48 HG12 ILE 48 -3.600 -20.153 -20.204 349 HG13 ILE 48 HG13 ILE 48 -5.263 -19.793 -19.755 350 HG21 ILE 48 HG21 ILE 48 -4.270 -17.511 -21.613 351 HG22 ILE 48 HG22 ILE 48 -2.936 -18.658 -21.492 352 HG23 ILE 48 HG23 ILE 48 -3.638 -18.285 -23.066 353 HD11 ILE 48 HD11 ILE 48 -5.070 -22.059 -21.553 354 HD12 ILE 48 HD12 ILE 48 -4.157 -22.291 -20.062 355 HD13 ILE 48 HD13 ILE 48 -5.878 -21.912 -19.992 356 H GLN 49 H GLN 49 -7.502 -20.858 -23.213 357 HA GLN 49 HA GLN 49 -6.928 -20.318 -25.852 358 HB2 GLN 49 HB2 GLN 49 -9.165 -21.467 -26.325 359 HB3 GLN 49 HB3 GLN 49 -7.973 -22.373 -25.401 360 HG2 GLN 49 HG2 GLN 49 -9.127 -21.935 -23.356 361 HG3 GLN 49 HG3 GLN 49 -10.233 -20.824 -24.163 362 HE21 GLN 49 HE21 GLN 49 -11.729 -22.365 -23.007 363 HE22 GLN 49 HE22 GLN 49 -12.262 -23.745 -23.900 364 H TYR 50 H TYR 50 -9.547 -19.012 -23.867 365 HA TYR 50 HA TYR 50 -9.674 -16.595 -25.318 366 HB2 TYR 50 HB2 TYR 50 -11.816 -16.816 -26.422 367 HB3 TYR 50 HB3 TYR 50 -10.741 -18.085 -26.999 368 HD1 TYR 50 HD1 TYR 50 -13.648 -17.373 -24.839 369 HD2 TYR 50 HD2 TYR 50 -11.250 -20.387 -26.647 370 HE1 TYR 50 HE1 TYR 50 -15.335 -19.061 -24.246 371 HE2 TYR 50 HE2 TYR 50 -12.931 -22.084 -26.060 372 HH TYR 50 HH TYR 50 -14.907 -22.476 -25.134 373 H SER 51 H SER 51 -10.822 -15.055 -24.224 374 HA SER 51 HA SER 51 -12.935 -15.519 -22.443 375 HB2 SER 51 HB2 SER 51 -11.569 -14.953 -20.312 376 HB3 SER 51 HB3 SER 51 -11.535 -16.611 -20.911 377 HG SER 51 HG SER 51 -9.445 -16.242 -20.732 378 H LYS 52 H LYS 52 -10.046 -13.505 -21.958 379 HA LYS 52 HA LYS 52 -11.660 -11.142 -22.648 380 HB2 LYS 52 HB2 LYS 52 -10.460 -11.812 -20.103 381 HB3 LYS 52 HB3 LYS 52 -9.791 -10.310 -20.728 382 HG2 LYS 52 HG2 LYS 52 -12.737 -10.859 -20.458 383 HG3 LYS 52 HG3 LYS 52 -11.764 -10.018 -19.249 384 HD2 LYS 52 HD2 LYS 52 -11.120 -8.657 -21.522 385 HD3 LYS 52 HD3 LYS 52 -12.808 -9.077 -21.825 386 HE2 LYS 52 HE2 LYS 52 -13.576 -7.749 -20.155 387 HE3 LYS 52 HE3 LYS 52 -12.167 -8.034 -19.134 388 HZ1 LYS 52 HZ1 LYS 52 -12.399 -5.725 -20.032 389 HZ2 LYS 52 HZ2 LYS 52 -12.078 -6.350 -21.571 390 HZ3 LYS 52 HZ3 LYS 52 -10.913 -6.467 -20.351 391 H HIS 53 H HIS 53 -8.442 -12.554 -22.317 392 HA HIS 53 HA HIS 53 -7.451 -10.567 -24.256 393 HB2 HIS 53 HB2 HIS 53 -5.177 -11.037 -23.259 394 HB3 HIS 53 HB3 HIS 53 -6.301 -10.189 -22.200 395 HD1 HIS 53 HD1 HIS 53 -5.793 -10.980 -19.912 396 HD2 HIS 53 HD2 HIS 53 -5.851 -14.103 -22.651 397 HE1 HIS 53 HE1 HIS 53 -5.471 -13.072 -18.554 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -9.979 -2.798 -7.408 2 HA2 GLY 1 HA2 GLY 1 -9.240 -2.758 -5.051 3 HA3 GLY 1 HA3 GLY 1 -9.051 -4.367 -5.733 4 HA PRO 2 HA PRO 2 -4.990 -3.035 -3.913 5 HB2 PRO 2 HB2 PRO 2 -4.574 -5.340 -2.541 6 HB3 PRO 2 HB3 PRO 2 -5.489 -3.981 -1.879 7 HG2 PRO 2 HG2 PRO 2 -6.491 -6.500 -3.150 8 HG3 PRO 2 HG3 PRO 2 -7.080 -5.667 -1.699 9 HD2 PRO 2 HD2 PRO 2 -8.301 -5.442 -4.105 10 HD3 PRO 2 HD3 PRO 2 -8.277 -4.121 -2.920 11 H LEU 3 H LEU 3 -2.950 -3.697 -4.567 12 HA LEU 3 HA LEU 3 -2.892 -5.904 -6.519 13 HB2 LEU 3 HB2 LEU 3 -2.572 -3.905 -7.723 14 HB3 LEU 3 HB3 LEU 3 -1.483 -3.252 -6.500 15 HG LEU 3 HG LEU 3 0.182 -4.992 -7.161 16 HD11 LEU 3 HD11 LEU 3 -1.089 -5.438 -9.756 17 HD12 LEU 3 HD12 LEU 3 -1.922 -6.204 -8.404 18 HD13 LEU 3 HD13 LEU 3 -0.221 -6.558 -8.705 19 HD21 LEU 3 HD21 LEU 3 -0.765 -2.779 -8.886 20 HD22 LEU 3 HD22 LEU 3 0.418 -3.891 -9.578 21 HD23 LEU 3 HD23 LEU 3 0.793 -3.016 -8.093 22 H GLY 4 H GLY 4 -1.191 -7.342 -6.463 23 HA2 GLY 4 HA2 GLY 4 0.807 -6.960 -4.331 24 HA3 GLY 4 HA3 GLY 4 -0.104 -8.460 -4.425 25 H SER 5 H SER 5 2.659 -8.443 -4.501 26 HA SER 5 HA SER 5 3.214 -9.121 -7.316 27 HB2 SER 5 HB2 SER 5 5.274 -8.328 -5.251 28 HB3 SER 5 HB3 SER 5 5.510 -8.508 -6.989 29 HG SER 5 HG SER 5 5.243 -6.372 -6.731 30 H GLU 6 H GLU 6 3.827 -9.998 -3.942 31 HA GLU 6 HA GLU 6 5.229 -12.392 -4.499 32 HB2 GLU 6 HB2 GLU 6 3.789 -11.349 -2.074 33 HB3 GLU 6 HB3 GLU 6 4.493 -12.960 -2.092 34 HG2 GLU 6 HG2 GLU 6 6.363 -12.003 -1.383 35 HG3 GLU 6 HG3 GLU 6 6.539 -11.374 -3.020 36 H ALA 7 H ALA 7 4.196 -14.487 -3.329 37 HA ALA 7 HA ALA 7 1.540 -14.892 -4.541 38 HB1 ALA 7 HB1 ALA 7 3.948 -16.133 -5.278 39 HB2 ALA 7 HB2 ALA 7 3.010 -17.348 -4.409 40 HB3 ALA 7 HB3 ALA 7 2.316 -16.537 -5.812 41 H ASP 8 H ASP 8 0.993 -17.410 -3.676 42 HA ASP 8 HA ASP 8 1.230 -17.297 -0.748 43 HB2 ASP 8 HB2 ASP 8 -1.167 -16.969 -2.319 44 HB3 ASP 8 HB3 ASP 8 -1.294 -18.407 -1.310 45 HA PRO 9 HA PRO 9 2.143 -21.584 -0.867 46 HB2 PRO 9 HB2 PRO 9 0.894 -22.509 1.360 47 HB3 PRO 9 HB3 PRO 9 2.349 -21.506 1.420 48 HG2 PRO 9 HG2 PRO 9 -0.515 -20.713 1.782 49 HG3 PRO 9 HG3 PRO 9 0.910 -20.212 2.711 50 HD2 PRO 9 HD2 PRO 9 -0.198 -18.657 0.791 51 HD3 PRO 9 HD3 PRO 9 1.544 -18.652 1.137 52 H ARG 10 H ARG 10 -1.261 -20.760 -0.414 53 HA ARG 10 HA ARG 10 -2.110 -23.372 -1.379 54 HB2 ARG 10 HB2 ARG 10 -3.862 -21.017 -0.680 55 HB3 ARG 10 HB3 ARG 10 -4.330 -22.708 -0.793 56 HG2 ARG 10 HG2 ARG 10 -2.497 -21.511 1.275 57 HG3 ARG 10 HG3 ARG 10 -4.176 -21.998 1.521 58 HD2 ARG 10 HD2 ARG 10 -3.434 -24.318 0.762 59 HD3 ARG 10 HD3 ARG 10 -1.784 -23.732 0.973 60 HE ARG 10 HE ARG 10 -2.063 -23.849 3.249 61 HH11 ARG 10 HH11 ARG 10 -5.157 -24.148 1.682 62 HH12 ARG 10 HH12 ARG 10 -5.995 -24.588 3.132 63 HH21 ARG 10 HH21 ARG 10 -3.155 -24.427 5.165 64 HH22 ARG 10 HH22 ARG 10 -4.856 -24.745 5.114 65 H LEU 11 H LEU 11 -0.830 -20.968 -2.941 66 HA LEU 11 HA LEU 11 -2.758 -21.051 -5.168 67 HB2 LEU 11 HB2 LEU 11 -2.665 -18.817 -4.353 68 HB3 LEU 11 HB3 LEU 11 -0.904 -18.850 -4.293 69 HG LEU 11 HG LEU 11 -0.939 -19.029 -6.811 70 HD11 LEU 11 HD11 LEU 11 -3.824 -18.904 -6.248 71 HD12 LEU 11 HD12 LEU 11 -2.959 -19.600 -7.618 72 HD13 LEU 11 HD13 LEU 11 -3.255 -17.862 -7.553 73 HD21 LEU 11 HD21 LEU 11 -2.268 -16.506 -5.897 74 HD22 LEU 11 HD22 LEU 11 -0.974 -16.724 -7.076 75 HD23 LEU 11 HD23 LEU 11 -0.640 -16.918 -5.355 76 H ILE 12 H ILE 12 0.691 -20.747 -4.361 77 HA ILE 12 HA ILE 12 1.769 -21.084 -6.888 78 HB ILE 12 HB ILE 12 3.795 -21.924 -5.792 79 HG12 ILE 12 HG12 ILE 12 3.441 -21.828 -3.113 80 HG13 ILE 12 HG13 ILE 12 1.868 -22.448 -3.603 81 HG21 ILE 12 HG21 ILE 12 3.567 -19.972 -3.851 82 HG22 ILE 12 HG22 ILE 12 4.080 -19.731 -5.520 83 HG23 ILE 12 HG23 ILE 12 2.391 -19.488 -5.073 84 HD11 ILE 12 HD11 ILE 12 4.052 -23.816 -4.928 85 HD12 ILE 12 HD12 ILE 12 4.146 -23.925 -3.170 86 HD13 ILE 12 HD13 ILE 12 2.693 -24.466 -4.011 87 H GLU 13 H GLU 13 0.369 -23.447 -4.740 88 HA GLU 13 HA GLU 13 1.413 -25.809 -5.731 89 HB2 GLU 13 HB2 GLU 13 -0.857 -26.791 -5.090 90 HB3 GLU 13 HB3 GLU 13 0.049 -25.976 -3.824 91 HG2 GLU 13 HG2 GLU 13 -1.381 -24.166 -3.777 92 HG3 GLU 13 HG3 GLU 13 -1.986 -24.471 -5.404 93 H SER 14 H SER 14 -1.159 -23.787 -7.030 94 HA SER 14 HA SER 14 -1.840 -25.649 -9.116 95 HB2 SER 14 HB2 SER 14 -2.744 -22.943 -8.273 96 HB3 SER 14 HB3 SER 14 -2.996 -23.382 -9.962 97 HG SER 14 HG SER 14 -4.721 -24.302 -9.164 98 H LEU 15 H LEU 15 -0.210 -22.487 -8.994 99 HA LEU 15 HA LEU 15 0.371 -22.129 -11.651 100 HB2 LEU 15 HB2 LEU 15 1.986 -21.470 -9.203 101 HB3 LEU 15 HB3 LEU 15 2.469 -20.966 -10.821 102 HG LEU 15 HG LEU 15 -0.264 -20.200 -10.227 103 HD11 LEU 15 HD11 LEU 15 0.399 -18.414 -8.601 104 HD12 LEU 15 HD12 LEU 15 1.917 -19.279 -8.368 105 HD13 LEU 15 HD13 LEU 15 0.389 -20.051 -7.945 106 HD21 LEU 15 HD21 LEU 15 1.708 -19.384 -11.886 107 HD22 LEU 15 HD22 LEU 15 1.840 -18.178 -10.606 108 HD23 LEU 15 HD23 LEU 15 0.309 -18.401 -11.454 109 H SER 16 H SER 16 2.180 -24.052 -9.288 110 HA SER 16 HA SER 16 4.391 -24.742 -10.773 111 HB2 SER 16 HB2 SER 16 3.303 -25.546 -8.355 112 HB3 SER 16 HB3 SER 16 3.319 -27.031 -9.307 113 HG SER 16 HG SER 16 5.545 -26.652 -9.701 114 H GLN 17 H GLN 17 1.119 -25.966 -11.023 115 HA GLN 17 HA GLN 17 1.825 -28.095 -12.829 116 HB2 GLN 17 HB2 GLN 17 -0.941 -26.995 -12.370 117 HB3 GLN 17 HB3 GLN 17 -0.489 -28.612 -12.894 118 HG2 GLN 17 HG2 GLN 17 0.766 -28.300 -10.438 119 HG3 GLN 17 HG3 GLN 17 -0.820 -27.558 -10.229 120 HE21 GLN 17 HE21 GLN 17 -1.573 -29.154 -8.873 121 HE22 GLN 17 HE22 GLN 17 -1.938 -30.752 -9.419 122 H MET 18 H MET 18 0.448 -24.856 -13.078 123 HA MET 18 HA MET 18 -0.154 -24.981 -15.843 124 HB2 MET 18 HB2 MET 18 0.480 -22.503 -14.237 125 HB3 MET 18 HB3 MET 18 -0.462 -22.597 -15.719 126 HG2 MET 18 HG2 MET 18 -1.552 -24.305 -13.661 127 HG3 MET 18 HG3 MET 18 -1.421 -22.633 -13.121 128 HE1 MET 18 HE1 MET 18 -2.075 -24.630 -16.239 129 HE2 MET 18 HE2 MET 18 -3.610 -24.044 -16.881 130 HE3 MET 18 HE3 MET 18 -2.135 -23.111 -17.134 131 H LEU 19 H LEU 19 2.494 -23.280 -14.156 132 HA LEU 19 HA LEU 19 3.934 -22.527 -16.403 133 HB2 LEU 19 HB2 LEU 19 5.156 -23.338 -13.775 134 HB3 LEU 19 HB3 LEU 19 5.808 -22.205 -14.958 135 HG LEU 19 HG LEU 19 3.373 -21.775 -13.227 136 HD11 LEU 19 HD11 LEU 19 6.102 -21.464 -12.663 137 HD12 LEU 19 HD12 LEU 19 4.731 -20.871 -11.726 138 HD13 LEU 19 HD13 LEU 19 5.472 -19.842 -12.952 139 HD21 LEU 19 HD21 LEU 19 3.175 -20.743 -15.460 140 HD22 LEU 19 HD22 LEU 19 4.698 -19.897 -15.180 141 HD23 LEU 19 HD23 LEU 19 3.297 -19.549 -14.166 142 H SER 20 H SER 20 3.838 -25.594 -14.720 143 HA SER 20 HA SER 20 6.087 -26.693 -16.146 144 HB2 SER 20 HB2 SER 20 5.476 -27.423 -13.843 145 HB3 SER 20 HB3 SER 20 3.997 -28.130 -14.493 146 HG SER 20 HG SER 20 6.118 -29.427 -14.234 147 H MET 21 H MET 21 2.647 -26.525 -16.562 148 HA MET 21 HA MET 21 2.506 -28.650 -18.495 149 HB2 MET 21 HB2 MET 21 0.621 -26.735 -17.261 150 HB3 MET 21 HB3 MET 21 0.214 -27.264 -18.888 151 HG2 MET 21 HG2 MET 21 0.370 -29.605 -18.129 152 HG3 MET 21 HG3 MET 21 0.673 -29.025 -16.493 153 HE1 MET 21 HE1 MET 21 -1.133 -27.328 -15.249 154 HE2 MET 21 HE2 MET 21 -1.270 -26.377 -16.728 155 HE3 MET 21 HE3 MET 21 -2.722 -26.985 -15.933 156 H GLY 22 H GLY 22 2.912 -25.173 -18.542 157 HA2 GLY 22 HA2 GLY 22 4.241 -24.588 -20.664 158 HA3 GLY 22 HA3 GLY 22 2.813 -25.201 -21.485 159 H PHE 23 H PHE 23 3.213 -23.113 -18.630 160 HA PHE 23 HA PHE 23 1.919 -20.932 -20.092 161 HB2 PHE 23 HB2 PHE 23 0.982 -22.023 -17.432 162 HB3 PHE 23 HB3 PHE 23 0.446 -20.493 -18.117 163 HD1 PHE 23 HD1 PHE 23 0.273 -24.135 -18.380 164 HD2 PHE 23 HD2 PHE 23 -1.065 -20.431 -19.995 165 HE1 PHE 23 HE1 PHE 23 -1.498 -25.316 -19.615 166 HE2 PHE 23 HE2 PHE 23 -2.838 -21.606 -21.232 167 HZ PHE 23 HZ PHE 23 -3.056 -24.052 -21.042 168 H SER 24 H SER 24 1.808 -18.945 -18.468 169 HA SER 24 HA SER 24 4.193 -18.821 -16.792 170 HB2 SER 24 HB2 SER 24 3.774 -16.628 -18.798 171 HB3 SER 24 HB3 SER 24 5.244 -17.078 -17.934 172 HG SER 24 HG SER 24 4.684 -17.745 -20.342 173 H ASP 25 H ASP 25 4.265 -16.161 -16.243 174 HA ASP 25 HA ASP 25 1.553 -15.494 -15.319 175 HB2 ASP 25 HB2 ASP 25 2.636 -14.646 -13.191 176 HB3 ASP 25 HB3 ASP 25 2.604 -16.397 -13.382 177 H GLU 26 H GLU 26 3.065 -14.506 -17.587 178 HA GLU 26 HA GLU 26 4.371 -12.105 -17.205 179 HB2 GLU 26 HB2 GLU 26 2.492 -12.866 -19.448 180 HB3 GLU 26 HB3 GLU 26 3.606 -11.506 -19.490 181 HG2 GLU 26 HG2 GLU 26 4.859 -14.065 -18.830 182 HG3 GLU 26 HG3 GLU 26 4.136 -13.997 -20.436 183 H GLY 27 H GLY 27 3.757 -10.352 -16.134 184 HA2 GLY 27 HA2 GLY 27 2.468 -8.453 -15.722 185 HA3 GLY 27 HA3 GLY 27 1.166 -9.163 -16.665 186 H GLY 28 H GLY 28 0.591 -11.476 -15.442 187 HA2 GLY 28 HA2 GLY 28 0.445 -12.153 -12.970 188 HA3 GLY 28 HA3 GLY 28 -0.288 -10.567 -12.781 189 H TRP 29 H TRP 29 -0.697 -13.090 -15.256 190 HA TRP 29 HA TRP 29 -3.591 -12.845 -14.933 191 HB2 TRP 29 HB2 TRP 29 -3.803 -13.858 -17.067 192 HB3 TRP 29 HB3 TRP 29 -2.445 -12.744 -17.203 193 HD1 TRP 29 HD1 TRP 29 0.013 -13.825 -17.415 194 HE1 TRP 29 HE1 TRP 29 0.785 -16.155 -18.189 195 HE3 TRP 29 HE3 TRP 29 -4.439 -16.312 -17.061 196 HZ2 TRP 29 HZ2 TRP 29 -0.345 -18.710 -18.596 197 HZ3 TRP 29 HZ3 TRP 29 -4.508 -18.697 -17.662 198 HH2 TRP 29 HH2 TRP 29 -2.503 -19.869 -18.414 199 H LEU 30 H LEU 30 -1.004 -14.938 -14.134 200 HA LEU 30 HA LEU 30 -2.842 -17.169 -13.619 201 HB2 LEU 30 HB2 LEU 30 -0.662 -17.437 -14.942 202 HB3 LEU 30 HB3 LEU 30 0.148 -17.270 -13.386 203 HG LEU 30 HG LEU 30 -1.090 -19.261 -12.580 204 HD11 LEU 30 HD11 LEU 30 -2.794 -18.812 -14.631 205 HD12 LEU 30 HD12 LEU 30 -2.645 -20.349 -13.779 206 HD13 LEU 30 HD13 LEU 30 -1.795 -20.101 -15.305 207 HD21 LEU 30 HD21 LEU 30 0.658 -20.473 -13.226 208 HD22 LEU 30 HD22 LEU 30 1.121 -19.126 -14.266 209 HD23 LEU 30 HD23 LEU 30 0.138 -20.440 -14.912 210 H THR 31 H THR 31 -1.787 -14.543 -12.058 211 HA THR 31 HA THR 31 -1.180 -15.820 -9.508 212 HB THR 31 HB THR 31 0.169 -13.884 -10.114 213 HG1 THR 31 HG1 THR 31 0.149 -13.556 -8.030 214 HG21 THR 31 HG21 THR 31 -1.885 -11.859 -9.725 215 HG22 THR 31 HG22 THR 31 -2.180 -12.855 -11.150 216 HG23 THR 31 HG23 THR 31 -0.653 -11.990 -10.980 217 H ARG 32 H ARG 32 -3.826 -14.390 -11.177 218 HA ARG 32 HA ARG 32 -5.412 -14.415 -8.693 219 HB2 ARG 32 HB2 ARG 32 -5.896 -12.744 -11.166 220 HB3 ARG 32 HB3 ARG 32 -6.851 -12.714 -9.689 221 HG2 ARG 32 HG2 ARG 32 -3.983 -12.206 -9.323 222 HG3 ARG 32 HG3 ARG 32 -4.853 -10.989 -10.259 223 HD2 ARG 32 HD2 ARG 32 -6.434 -11.707 -8.001 224 HD3 ARG 32 HD3 ARG 32 -4.798 -11.348 -7.450 225 HE ARG 32 HE ARG 32 -6.727 -9.482 -8.381 226 HH11 ARG 32 HH11 ARG 32 -3.311 -10.156 -8.352 227 HH12 ARG 32 HH12 ARG 32 -2.850 -8.493 -8.500 228 HH21 ARG 32 HH21 ARG 32 -6.131 -7.289 -8.576 229 HH22 ARG 32 HH22 ARG 32 -4.454 -6.863 -8.627 230 H LEU 33 H LEU 33 -5.139 -15.467 -11.987 231 HA LEU 33 HA LEU 33 -7.707 -16.261 -12.599 232 HB2 LEU 33 HB2 LEU 33 -6.157 -16.483 -14.310 233 HB3 LEU 33 HB3 LEU 33 -5.014 -17.358 -13.292 234 HG LEU 33 HG LEU 33 -6.432 -19.345 -13.399 235 HD11 LEU 33 HD11 LEU 33 -8.310 -19.356 -15.053 236 HD12 LEU 33 HD12 LEU 33 -8.190 -17.597 -15.106 237 HD13 LEU 33 HD13 LEU 33 -8.609 -18.406 -13.597 238 HD21 LEU 33 HD21 LEU 33 -5.440 -18.049 -15.895 239 HD22 LEU 33 HD22 LEU 33 -6.301 -19.585 -16.002 240 HD23 LEU 33 HD23 LEU 33 -4.828 -19.465 -15.039 241 H LEU 34 H LEU 34 -5.213 -18.176 -10.926 242 HA LEU 34 HA LEU 34 -6.802 -20.439 -10.460 243 HB2 LEU 34 HB2 LEU 34 -4.388 -19.324 -9.066 244 HB3 LEU 34 HB3 LEU 34 -5.157 -20.821 -8.543 245 HG LEU 34 HG LEU 34 -3.288 -21.408 -9.887 246 HD11 LEU 34 HD11 LEU 34 -5.616 -22.488 -10.285 247 HD12 LEU 34 HD12 LEU 34 -4.287 -22.847 -11.387 248 HD13 LEU 34 HD13 LEU 34 -5.524 -21.678 -11.849 249 HD21 LEU 34 HD21 LEU 34 -2.613 -20.381 -11.796 250 HD22 LEU 34 HD22 LEU 34 -3.484 -19.031 -11.069 251 HD23 LEU 34 HD23 LEU 34 -4.259 -20.012 -12.313 252 H GLN 35 H GLN 35 -6.162 -17.599 -8.427 253 HA GLN 35 HA GLN 35 -7.535 -18.354 -6.147 254 HB2 GLN 35 HB2 GLN 35 -7.259 -15.610 -7.381 255 HB3 GLN 35 HB3 GLN 35 -7.857 -15.906 -5.754 256 HG2 GLN 35 HG2 GLN 35 -5.709 -16.953 -5.178 257 HG3 GLN 35 HG3 GLN 35 -5.115 -16.581 -6.796 258 HE21 GLN 35 HE21 GLN 35 -4.916 -15.624 -3.732 259 HE22 GLN 35 HE22 GLN 35 -4.637 -13.932 -3.939 260 H THR 36 H THR 36 -8.767 -17.140 -9.191 261 HA THR 36 HA THR 36 -11.447 -16.758 -8.217 262 HB THR 36 HB THR 36 -11.611 -16.937 -10.989 263 HG1 THR 36 HG1 THR 36 -9.255 -15.482 -10.356 264 HG21 THR 36 HG21 THR 36 -11.490 -14.786 -8.958 265 HG22 THR 36 HG22 THR 36 -12.736 -15.147 -10.153 266 HG23 THR 36 HG23 THR 36 -11.265 -14.302 -10.639 267 H LYS 37 H LYS 37 -9.610 -19.366 -9.529 268 HA LYS 37 HA LYS 37 -12.038 -20.944 -10.007 269 HB2 LYS 37 HB2 LYS 37 -9.168 -21.577 -10.717 270 HB3 LYS 37 HB3 LYS 37 -10.578 -22.527 -11.169 271 HG2 LYS 37 HG2 LYS 37 -9.908 -19.738 -12.083 272 HG3 LYS 37 HG3 LYS 37 -9.867 -21.216 -13.048 273 HD2 LYS 37 HD2 LYS 37 -12.381 -21.392 -12.339 274 HD3 LYS 37 HD3 LYS 37 -12.214 -19.658 -12.052 275 HE2 LYS 37 HE2 LYS 37 -11.804 -19.200 -14.287 276 HE3 LYS 37 HE3 LYS 37 -11.284 -20.849 -14.633 277 HZ1 LYS 37 HZ1 LYS 37 -13.450 -21.601 -14.732 278 HZ2 LYS 37 HZ2 LYS 37 -13.580 -20.071 -15.443 279 HZ3 LYS 37 HZ3 LYS 37 -14.070 -20.304 -13.841 280 H ASN 38 H ASN 38 -10.515 -20.221 -7.395 281 HA ASN 38 HA ASN 38 -10.141 -21.199 -5.377 282 HB2 ASN 38 HB2 ASN 38 -12.410 -22.324 -6.256 283 HB3 ASN 38 HB3 ASN 38 -11.403 -23.767 -6.186 284 HD21 ASN 38 HD21 ASN 38 -11.801 -20.868 -4.174 285 HD22 ASN 38 HD22 ASN 38 -12.020 -21.724 -2.689 286 H TYR 39 H TYR 39 -8.078 -21.385 -7.231 287 HA TYR 39 HA TYR 39 -6.106 -22.445 -7.633 288 HB2 TYR 39 HB2 TYR 39 -6.674 -24.171 -5.232 289 HB3 TYR 39 HB3 TYR 39 -5.116 -23.619 -5.838 290 HD1 TYR 39 HD1 TYR 39 -5.189 -20.835 -6.059 291 HD2 TYR 39 HD2 TYR 39 -7.211 -23.249 -3.196 292 HE1 TYR 39 HE1 TYR 39 -5.258 -18.928 -4.508 293 HE2 TYR 39 HE2 TYR 39 -7.286 -21.347 -1.638 294 HH TYR 39 HH TYR 39 -5.680 -18.294 -2.386 295 H ASP 40 H ASP 40 -7.820 -23.350 -9.344 296 HA ASP 40 HA ASP 40 -7.739 -26.290 -9.216 297 HB2 ASP 40 HB2 ASP 40 -9.733 -24.373 -10.195 298 HB3 ASP 40 HB3 ASP 40 -9.404 -25.691 -11.317 299 H ILE 41 H ILE 41 -7.080 -27.471 -11.049 300 HA ILE 41 HA ILE 41 -5.248 -25.980 -12.788 301 HB ILE 41 HB ILE 41 -5.338 -28.973 -12.602 302 HG12 ILE 41 HG12 ILE 41 -5.180 -28.218 -10.299 303 HG13 ILE 41 HG13 ILE 41 -3.615 -28.829 -10.821 304 HG21 ILE 41 HG21 ILE 41 -3.854 -27.181 -14.103 305 HG22 ILE 41 HG22 ILE 41 -2.759 -27.669 -12.810 306 HG23 ILE 41 HG23 ILE 41 -3.495 -28.889 -13.850 307 HD11 ILE 41 HD11 ILE 41 -2.800 -26.577 -11.118 308 HD12 ILE 41 HD12 ILE 41 -4.384 -25.923 -10.703 309 HD13 ILE 41 HD13 ILE 41 -3.438 -26.782 -9.487 310 H GLY 42 H GLY 42 -8.057 -28.059 -12.822 311 HA2 GLY 42 HA2 GLY 42 -8.002 -28.415 -15.694 312 HA3 GLY 42 HA3 GLY 42 -9.259 -28.964 -14.596 313 H ALA 43 H ALA 43 -9.210 -26.067 -13.516 314 HA ALA 43 HA ALA 43 -11.233 -25.106 -15.381 315 HB1 ALA 43 HB1 ALA 43 -10.518 -23.684 -12.854 316 HB2 ALA 43 HB2 ALA 43 -12.080 -23.823 -13.663 317 HB3 ALA 43 HB3 ALA 43 -11.417 -25.200 -12.783 318 H ALA 44 H ALA 44 -8.070 -24.229 -14.137 319 HA ALA 44 HA ALA 44 -8.045 -21.646 -15.405 320 HB1 ALA 44 HB1 ALA 44 -5.840 -21.412 -14.554 321 HB2 ALA 44 HB2 ALA 44 -6.790 -22.219 -13.305 322 HB3 ALA 44 HB3 ALA 44 -5.680 -23.152 -14.309 323 H LEU 45 H LEU 45 -7.425 -24.850 -16.385 324 HA LEU 45 HA LEU 45 -5.486 -24.305 -18.406 325 HB2 LEU 45 HB2 LEU 45 -7.197 -26.611 -17.643 326 HB3 LEU 45 HB3 LEU 45 -6.510 -26.592 -19.266 327 HG LEU 45 HG LEU 45 -4.805 -26.298 -16.806 328 HD11 LEU 45 HD11 LEU 45 -5.093 -28.431 -16.289 329 HD12 LEU 45 HD12 LEU 45 -4.574 -28.896 -17.908 330 HD13 LEU 45 HD13 LEU 45 -6.281 -28.598 -17.582 331 HD21 LEU 45 HD21 LEU 45 -3.789 -27.608 -19.220 332 HD22 LEU 45 HD22 LEU 45 -3.059 -26.361 -18.209 333 HD23 LEU 45 HD23 LEU 45 -4.236 -25.916 -19.445 334 H ASP 46 H ASP 46 -8.892 -23.961 -18.187 335 HA ASP 46 HA ASP 46 -9.088 -23.614 -21.105 336 HB2 ASP 46 HB2 ASP 46 -10.708 -25.076 -19.360 337 HB3 ASP 46 HB3 ASP 46 -11.635 -23.621 -19.716 338 H THR 47 H THR 47 -8.122 -21.700 -18.994 339 HA THR 47 HA THR 47 -10.104 -19.558 -19.386 340 HB THR 47 HB THR 47 -7.843 -19.428 -17.405 341 HG1 THR 47 HG1 THR 47 -10.426 -20.580 -17.048 342 HG21 THR 47 HG21 THR 47 -9.870 -18.093 -16.290 343 HG22 THR 47 HG22 THR 47 -10.325 -17.909 -17.983 344 HG23 THR 47 HG23 THR 47 -8.752 -17.339 -17.426 345 H ILE 48 H ILE 48 -7.736 -20.608 -21.088 346 HA ILE 48 HA ILE 48 -6.475 -17.975 -21.496 347 HB ILE 48 HB ILE 48 -5.115 -20.422 -22.493 348 HG12 ILE 48 HG12 ILE 48 -3.930 -20.291 -20.105 349 HG13 ILE 48 HG13 ILE 48 -5.534 -19.750 -19.621 350 HG21 ILE 48 HG21 ILE 48 -4.231 -17.779 -21.354 351 HG22 ILE 48 HG22 ILE 48 -3.120 -19.074 -21.797 352 HG23 ILE 48 HG23 ILE 48 -4.131 -18.321 -23.030 353 HD11 ILE 48 HD11 ILE 48 -4.649 -22.368 -19.908 354 HD12 ILE 48 HD12 ILE 48 -6.306 -21.822 -19.653 355 HD13 ILE 48 HD13 ILE 48 -5.706 -22.085 -21.290 356 H GLN 49 H GLN 49 -7.973 -20.770 -22.960 357 HA GLN 49 HA GLN 49 -7.450 -20.389 -25.637 358 HB2 GLN 49 HB2 GLN 49 -10.095 -21.228 -24.438 359 HB3 GLN 49 HB3 GLN 49 -9.564 -21.532 -26.087 360 HG2 GLN 49 HG2 GLN 49 -8.261 -22.619 -23.600 361 HG3 GLN 49 HG3 GLN 49 -9.348 -23.507 -24.667 362 HE21 GLN 49 HE21 GLN 49 -6.649 -24.179 -23.984 363 HE22 GLN 49 HE22 GLN 49 -5.739 -24.183 -25.453 364 H TYR 50 H TYR 50 -9.901 -18.799 -23.639 365 HA TYR 50 HA TYR 50 -9.873 -16.449 -25.228 366 HB2 TYR 50 HB2 TYR 50 -12.053 -16.531 -26.222 367 HB3 TYR 50 HB3 TYR 50 -11.200 -17.995 -26.699 368 HD1 TYR 50 HD1 TYR 50 -13.914 -16.630 -24.637 369 HD2 TYR 50 HD2 TYR 50 -11.923 -20.164 -25.920 370 HE1 TYR 50 HE1 TYR 50 -15.777 -17.986 -23.776 371 HE2 TYR 50 HE2 TYR 50 -13.781 -21.529 -25.064 372 HH TYR 50 HH TYR 50 -16.237 -21.197 -24.575 373 H SER 51 H SER 51 -10.607 -14.761 -24.067 374 HA SER 51 HA SER 51 -12.707 -14.812 -22.211 375 HB2 SER 51 HB2 SER 51 -11.311 -16.198 -20.817 376 HB3 SER 51 HB3 SER 51 -9.942 -15.104 -21.017 377 HG SER 51 HG SER 51 -11.291 -14.945 -19.017 378 H LYS 52 H LYS 52 -9.441 -13.375 -22.304 379 HA LYS 52 HA LYS 52 -10.567 -10.732 -21.896 380 HB2 LYS 52 HB2 LYS 52 -8.024 -11.994 -21.464 381 HB3 LYS 52 HB3 LYS 52 -7.798 -10.555 -22.450 382 HG2 LYS 52 HG2 LYS 52 -9.574 -10.136 -20.174 383 HG3 LYS 52 HG3 LYS 52 -7.937 -10.615 -19.721 384 HD2 LYS 52 HD2 LYS 52 -7.239 -8.800 -21.471 385 HD3 LYS 52 HD3 LYS 52 -8.870 -8.186 -21.190 386 HE2 LYS 52 HE2 LYS 52 -7.378 -7.047 -19.707 387 HE3 LYS 52 HE3 LYS 52 -8.362 -8.154 -18.751 388 HZ1 LYS 52 HZ1 LYS 52 -6.581 -9.348 -18.163 389 HZ2 LYS 52 HZ2 LYS 52 -5.684 -7.989 -18.624 390 HZ3 LYS 52 HZ3 LYS 52 -5.879 -9.279 -19.701 391 H HIS 53 H HIS 53 -9.236 -12.658 -24.473 392 HA HIS 53 HA HIS 53 -10.215 -10.836 -26.448 393 HB2 HIS 53 HB2 HIS 53 -7.449 -10.625 -25.612 394 HB3 HIS 53 HB3 HIS 53 -7.563 -11.057 -27.316 395 HD1 HIS 53 HD1 HIS 53 -8.828 -9.343 -28.874 396 HD2 HIS 53 HD2 HIS 53 -8.096 -8.015 -25.007 397 HE1 HIS 53 HE1 HIS 53 -9.186 -6.855 -28.939 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -1.679 -1.681 -2.678 2 HA2 GLY 1 HA2 GLY 1 0.530 -3.410 -2.649 3 HA3 GLY 1 HA3 GLY 1 -0.200 -2.719 -4.091 4 HA PRO 2 HA PRO 2 3.219 0.408 -2.692 5 HB2 PRO 2 HB2 PRO 2 4.875 -0.417 -0.705 6 HB3 PRO 2 HB3 PRO 2 3.381 0.477 -0.401 7 HG2 PRO 2 HG2 PRO 2 3.899 -2.466 -0.218 8 HG3 PRO 2 HG3 PRO 2 2.989 -1.419 0.887 9 HD2 PRO 2 HD2 PRO 2 1.779 -3.007 -0.942 10 HD3 PRO 2 HD3 PRO 2 1.104 -1.444 -0.440 11 H LEU 3 H LEU 3 4.069 -3.018 -2.305 12 HA LEU 3 HA LEU 3 5.573 -3.167 -4.657 13 HB2 LEU 3 HB2 LEU 3 6.973 -1.767 -2.805 14 HB3 LEU 3 HB3 LEU 3 7.520 -3.408 -2.464 15 HG LEU 3 HG LEU 3 7.760 -3.225 -5.204 16 HD11 LEU 3 HD11 LEU 3 9.143 -1.121 -5.444 17 HD12 LEU 3 HD12 LEU 3 8.406 -0.576 -3.938 18 HD13 LEU 3 HD13 LEU 3 7.396 -0.900 -5.348 19 HD21 LEU 3 HD21 LEU 3 9.873 -2.636 -3.134 20 HD22 LEU 3 HD22 LEU 3 10.138 -3.226 -4.775 21 HD23 LEU 3 HD23 LEU 3 9.322 -4.248 -3.592 22 H GLY 4 H GLY 4 6.271 -5.264 -5.097 23 HA2 GLY 4 HA2 GLY 4 6.667 -7.526 -4.664 24 HA3 GLY 4 HA3 GLY 4 6.198 -7.264 -2.991 25 H SER 5 H SER 5 5.339 -8.809 -5.741 26 HA SER 5 HA SER 5 2.462 -8.488 -5.464 27 HB2 SER 5 HB2 SER 5 4.290 -9.575 -7.489 28 HB3 SER 5 HB3 SER 5 2.823 -10.528 -7.269 29 HG SER 5 HG SER 5 2.334 -8.978 -8.756 30 H GLU 6 H GLU 6 4.496 -11.401 -5.748 31 HA GLU 6 HA GLU 6 4.428 -13.415 -4.693 32 HB2 GLU 6 HB2 GLU 6 4.341 -11.537 -2.690 33 HB3 GLU 6 HB3 GLU 6 2.929 -12.523 -2.335 34 HG2 GLU 6 HG2 GLU 6 4.389 -14.532 -2.406 35 HG3 GLU 6 HG3 GLU 6 5.776 -13.459 -2.584 36 H ALA 7 H ALA 7 2.878 -15.049 -3.667 37 HA ALA 7 HA ALA 7 0.088 -14.572 -4.409 38 HB1 ALA 7 HB1 ALA 7 1.904 -16.580 -5.651 39 HB2 ALA 7 HB2 ALA 7 0.205 -16.994 -5.416 40 HB3 ALA 7 HB3 ALA 7 0.644 -15.589 -6.387 41 H ASP 8 H ASP 8 -1.401 -15.777 -3.258 42 HA ASP 8 HA ASP 8 -0.799 -16.528 -0.671 43 HB2 ASP 8 HB2 ASP 8 -3.098 -16.649 -2.410 44 HB3 ASP 8 HB3 ASP 8 -3.009 -18.103 -1.418 45 HA PRO 9 HA PRO 9 0.947 -20.550 -0.736 46 HB2 PRO 9 HB2 PRO 9 -0.249 -21.740 1.391 47 HB3 PRO 9 HB3 PRO 9 0.971 -20.472 1.560 48 HG2 PRO 9 HG2 PRO 9 -2.012 -20.264 1.715 49 HG3 PRO 9 HG3 PRO 9 -0.782 -19.509 2.746 50 HD2 PRO 9 HD2 PRO 9 -2.037 -18.169 0.756 51 HD3 PRO 9 HD3 PRO 9 -0.359 -17.828 1.227 52 H ARG 10 H ARG 10 -2.580 -20.442 -0.490 53 HA ARG 10 HA ARG 10 -2.834 -23.148 -1.515 54 HB2 ARG 10 HB2 ARG 10 -5.055 -21.173 -1.000 55 HB3 ARG 10 HB3 ARG 10 -5.176 -22.924 -1.114 56 HG2 ARG 10 HG2 ARG 10 -3.709 -21.437 1.054 57 HG3 ARG 10 HG3 ARG 10 -5.342 -22.092 1.195 58 HD2 ARG 10 HD2 ARG 10 -4.032 -24.282 0.344 59 HD3 ARG 10 HD3 ARG 10 -2.729 -23.468 1.211 60 HE ARG 10 HE ARG 10 -5.181 -23.639 2.701 61 HH11 ARG 10 HH11 ARG 10 -2.221 -25.267 1.860 62 HH12 ARG 10 HH12 ARG 10 -2.214 -26.264 3.276 63 HH21 ARG 10 HH21 ARG 10 -5.183 -24.946 4.570 64 HH22 ARG 10 HH22 ARG 10 -3.899 -26.082 4.817 65 H LEU 11 H LEU 11 -1.992 -20.444 -2.963 66 HA LEU 11 HA LEU 11 -3.664 -20.906 -5.345 67 HB2 LEU 11 HB2 LEU 11 -4.033 -18.697 -4.570 68 HB3 LEU 11 HB3 LEU 11 -2.308 -18.420 -4.336 69 HG LEU 11 HG LEU 11 -2.066 -18.588 -6.846 70 HD11 LEU 11 HD11 LEU 11 -4.456 -17.830 -7.825 71 HD12 LEU 11 HD12 LEU 11 -4.975 -18.946 -6.563 72 HD13 LEU 11 HD13 LEU 11 -3.877 -19.495 -7.829 73 HD21 LEU 11 HD21 LEU 11 -2.248 -16.340 -7.003 74 HD22 LEU 11 HD22 LEU 11 -2.495 -16.467 -5.261 75 HD23 LEU 11 HD23 LEU 11 -3.882 -16.314 -6.340 76 H ILE 12 H ILE 12 -0.388 -20.169 -4.218 77 HA ILE 12 HA ILE 12 0.922 -20.249 -6.681 78 HB ILE 12 HB ILE 12 2.968 -20.777 -5.411 79 HG12 ILE 12 HG12 ILE 12 2.198 -20.612 -2.753 80 HG13 ILE 12 HG13 ILE 12 0.996 -21.686 -3.460 81 HG21 ILE 12 HG21 ILE 12 2.575 -18.824 -3.661 82 HG22 ILE 12 HG22 ILE 12 2.687 -18.518 -5.394 83 HG23 ILE 12 HG23 ILE 12 1.108 -18.608 -4.615 84 HD11 ILE 12 HD11 ILE 12 3.629 -22.285 -2.648 85 HD12 ILE 12 HD12 ILE 12 2.434 -23.357 -3.378 86 HD13 ILE 12 HD13 ILE 12 3.560 -22.464 -4.401 87 H GLU 13 H GLU 13 -0.243 -22.817 -4.636 88 HA GLU 13 HA GLU 13 1.259 -24.968 -5.530 89 HB2 GLU 13 HB2 GLU 13 -0.847 -26.322 -5.030 90 HB3 GLU 13 HB3 GLU 13 -0.183 -25.364 -3.713 91 HG2 GLU 13 HG2 GLU 13 -1.905 -23.832 -3.778 92 HG3 GLU 13 HG3 GLU 13 -2.328 -24.222 -5.444 93 H SER 14 H SER 14 -1.514 -23.391 -7.014 94 HA SER 14 HA SER 14 -1.750 -25.335 -9.121 95 HB2 SER 14 HB2 SER 14 -3.001 -22.614 -8.706 96 HB3 SER 14 HB3 SER 14 -3.353 -23.644 -10.094 97 HG SER 14 HG SER 14 -3.595 -24.680 -7.495 98 H LEU 15 H LEU 15 -0.651 -21.955 -8.930 99 HA LEU 15 HA LEU 15 0.049 -21.515 -11.545 100 HB2 LEU 15 HB2 LEU 15 1.376 -20.606 -9.005 101 HB3 LEU 15 HB3 LEU 15 1.870 -20.029 -10.595 102 HG LEU 15 HG LEU 15 -0.982 -19.714 -10.176 103 HD11 LEU 15 HD11 LEU 15 -0.574 -19.435 -7.876 104 HD12 LEU 15 HD12 LEU 15 -0.656 -17.805 -8.543 105 HD13 LEU 15 HD13 LEU 15 0.909 -18.525 -8.166 106 HD21 LEU 15 HD21 LEU 15 0.779 -17.375 -10.443 107 HD22 LEU 15 HD22 LEU 15 -0.631 -17.853 -11.389 108 HD23 LEU 15 HD23 LEU 15 0.939 -18.588 -11.715 109 H SER 16 H SER 16 1.961 -23.137 -9.043 110 HA SER 16 HA SER 16 4.355 -23.467 -10.361 111 HB2 SER 16 HB2 SER 16 4.150 -24.161 -8.071 112 HB3 SER 16 HB3 SER 16 2.919 -25.354 -8.483 113 HG SER 16 HG SER 16 5.521 -25.711 -8.377 114 H GLN 17 H GLN 17 1.346 -25.208 -10.812 115 HA GLN 17 HA GLN 17 2.502 -27.191 -12.547 116 HB2 GLN 17 HB2 GLN 17 -0.428 -26.537 -12.286 117 HB3 GLN 17 HB3 GLN 17 0.303 -28.061 -12.775 118 HG2 GLN 17 HG2 GLN 17 1.330 -27.583 -10.243 119 HG3 GLN 17 HG3 GLN 17 -0.359 -27.088 -10.139 120 HE21 GLN 17 HE21 GLN 17 0.831 -29.300 -8.810 121 HE22 GLN 17 HE22 GLN 17 0.054 -30.732 -9.384 122 H MET 18 H MET 18 0.659 -24.207 -12.927 123 HA MET 18 HA MET 18 0.279 -24.425 -15.726 124 HB2 MET 18 HB2 MET 18 0.401 -21.881 -14.103 125 HB3 MET 18 HB3 MET 18 -0.402 -22.116 -15.650 126 HG2 MET 18 HG2 MET 18 -1.366 -23.981 -13.670 127 HG3 MET 18 HG3 MET 18 -1.532 -22.313 -13.126 128 HE1 MET 18 HE1 MET 18 -1.890 -22.867 -17.189 129 HE2 MET 18 HE2 MET 18 -1.634 -24.354 -16.275 130 HE3 MET 18 HE3 MET 18 -3.202 -24.034 -17.016 131 H LEU 19 H LEU 19 2.501 -22.327 -13.878 132 HA LEU 19 HA LEU 19 3.960 -21.357 -16.026 133 HB2 LEU 19 HB2 LEU 19 5.097 -21.969 -13.307 134 HB3 LEU 19 HB3 LEU 19 5.661 -20.757 -14.455 135 HG LEU 19 HG LEU 19 3.065 -20.686 -12.918 136 HD11 LEU 19 HD11 LEU 19 4.152 -19.579 -11.335 137 HD12 LEU 19 HD12 LEU 19 4.837 -18.466 -12.518 138 HD13 LEU 19 HD13 LEU 19 5.664 -19.979 -12.150 139 HD21 LEU 19 HD21 LEU 19 2.821 -18.437 -13.874 140 HD22 LEU 19 HD22 LEU 19 2.798 -19.691 -15.115 141 HD23 LEU 19 HD23 LEU 19 4.248 -18.716 -14.873 142 H SER 20 H SER 20 4.239 -24.399 -14.313 143 HA SER 20 HA SER 20 6.722 -25.131 -15.573 144 HB2 SER 20 HB2 SER 20 6.074 -25.949 -13.310 145 HB3 SER 20 HB3 SER 20 4.774 -26.880 -14.052 146 HG SER 20 HG SER 20 7.349 -27.533 -13.787 147 H MET 21 H MET 21 3.338 -25.496 -16.233 148 HA MET 21 HA MET 21 3.664 -27.621 -18.145 149 HB2 MET 21 HB2 MET 21 1.423 -26.020 -17.069 150 HB3 MET 21 HB3 MET 21 1.219 -26.609 -18.714 151 HG2 MET 21 HG2 MET 21 1.686 -28.897 -17.912 152 HG3 MET 21 HG3 MET 21 1.769 -28.270 -16.267 153 HE1 MET 21 HE1 MET 21 -1.939 -26.782 -16.005 154 HE2 MET 21 HE2 MET 21 -0.375 -26.866 -15.194 155 HE3 MET 21 HE3 MET 21 -0.540 -25.961 -16.698 156 H GLY 22 H GLY 22 3.465 -24.118 -18.213 157 HA2 GLY 22 HA2 GLY 22 4.858 -23.335 -20.243 158 HA3 GLY 22 HA3 GLY 22 3.603 -24.165 -21.152 159 H PHE 23 H PHE 23 3.485 -22.031 -18.304 160 HA PHE 23 HA PHE 23 1.971 -20.080 -19.874 161 HB2 PHE 23 HB2 PHE 23 1.023 -21.295 -17.272 162 HB3 PHE 23 HB3 PHE 23 0.301 -19.879 -18.029 163 HD1 PHE 23 HD1 PHE 23 0.749 -23.504 -18.235 164 HD2 PHE 23 HD2 PHE 23 -1.065 -20.082 -20.000 165 HE1 PHE 23 HE1 PHE 23 -0.709 -24.969 -19.570 166 HE2 PHE 23 HE2 PHE 23 -2.527 -21.541 -21.336 167 HZ PHE 23 HZ PHE 23 -2.349 -23.988 -21.123 168 H SER 24 H SER 24 1.442 -18.132 -18.296 169 HA SER 24 HA SER 24 3.653 -17.643 -16.452 170 HB2 SER 24 HB2 SER 24 3.073 -15.443 -18.372 171 HB3 SER 24 HB3 SER 24 4.587 -15.875 -17.576 172 HG SER 24 HG SER 24 5.029 -16.675 -19.479 173 H ASP 25 H ASP 25 3.267 -15.008 -15.917 174 HA ASP 25 HA ASP 25 0.426 -14.777 -15.188 175 HB2 ASP 25 HB2 ASP 25 1.236 -13.765 -12.997 176 HB3 ASP 25 HB3 ASP 25 1.434 -15.507 -13.170 177 H GLU 26 H GLU 26 1.914 -13.551 -17.350 178 HA GLU 26 HA GLU 26 2.808 -10.982 -16.890 179 HB2 GLU 26 HB2 GLU 26 1.286 -12.112 -19.238 180 HB3 GLU 26 HB3 GLU 26 1.986 -10.499 -19.234 181 HG2 GLU 26 HG2 GLU 26 4.009 -12.288 -18.417 182 HG3 GLU 26 HG3 GLU 26 3.224 -12.990 -19.829 183 H GLY 27 H GLY 27 1.872 -9.321 -15.911 184 HA2 GLY 27 HA2 GLY 27 0.281 -7.657 -15.572 185 HA3 GLY 27 HA3 GLY 27 -0.830 -8.546 -16.603 186 H GLY 28 H GLY 28 -1.192 -10.907 -15.446 187 HA2 GLY 28 HA2 GLY 28 -1.385 -11.621 -12.972 188 HA3 GLY 28 HA3 GLY 28 -2.369 -10.171 -12.851 189 H TRP 29 H TRP 29 -2.175 -12.767 -15.282 190 HA TRP 29 HA TRP 29 -5.094 -12.965 -15.195 191 HB2 TRP 29 HB2 TRP 29 -4.983 -13.993 -17.330 192 HB3 TRP 29 HB3 TRP 29 -3.815 -12.676 -17.375 193 HD1 TRP 29 HD1 TRP 29 -1.206 -13.349 -17.395 194 HE1 TRP 29 HE1 TRP 29 -0.017 -15.523 -18.091 195 HE3 TRP 29 HE3 TRP 29 -5.218 -16.516 -17.352 196 HZ2 TRP 29 HZ2 TRP 29 -0.692 -18.224 -18.560 197 HZ3 TRP 29 HZ3 TRP 29 -4.862 -18.879 -17.937 198 HH2 TRP 29 HH2 TRP 29 -2.645 -19.713 -18.529 199 H LEU 30 H LEU 30 -2.273 -14.621 -14.190 200 HA LEU 30 HA LEU 30 -3.764 -17.119 -13.791 201 HB2 LEU 30 HB2 LEU 30 -1.475 -17.026 -14.947 202 HB3 LEU 30 HB3 LEU 30 -0.823 -16.744 -13.334 203 HG LEU 30 HG LEU 30 -1.787 -18.912 -12.614 204 HD11 LEU 30 HD11 LEU 30 -3.380 -18.724 -14.791 205 HD12 LEU 30 HD12 LEU 30 -3.055 -20.224 -13.923 206 HD13 LEU 30 HD13 LEU 30 -2.143 -19.833 -15.381 207 HD21 LEU 30 HD21 LEU 30 0.492 -18.418 -14.149 208 HD22 LEU 30 HD22 LEU 30 -0.219 -19.883 -14.827 209 HD23 LEU 30 HD23 LEU 30 0.183 -19.811 -13.111 210 H THR 31 H THR 31 -3.264 -14.363 -12.180 211 HA THR 31 HA THR 31 -2.651 -15.533 -9.581 212 HB THR 31 HB THR 31 -1.586 -13.408 -10.089 213 HG1 THR 31 HG1 THR 31 -1.840 -13.027 -8.031 214 HG21 THR 31 HG21 THR 31 -2.618 -11.692 -11.082 215 HG22 THR 31 HG22 THR 31 -3.932 -11.712 -9.908 216 HG23 THR 31 HG23 THR 31 -3.994 -12.769 -11.318 217 H ARG 32 H ARG 32 -5.361 -14.542 -11.454 218 HA ARG 32 HA ARG 32 -7.103 -14.831 -9.094 219 HB2 ARG 32 HB2 ARG 32 -7.664 -13.252 -11.610 220 HB3 ARG 32 HB3 ARG 32 -8.718 -13.381 -10.208 221 HG2 ARG 32 HG2 ARG 32 -6.006 -12.419 -9.632 222 HG3 ARG 32 HG3 ARG 32 -6.984 -11.355 -10.645 223 HD2 ARG 32 HD2 ARG 32 -8.570 -12.350 -8.478 224 HD3 ARG 32 HD3 ARG 32 -7.076 -11.658 -7.846 225 HE ARG 32 HE ARG 32 -8.404 -9.996 -9.782 226 HH11 ARG 32 HH11 ARG 32 -8.177 -10.865 -6.419 227 HH12 ARG 32 HH12 ARG 32 -8.819 -9.359 -5.852 228 HH21 ARG 32 HH21 ARG 32 -9.250 -8.009 -9.049 229 HH22 ARG 32 HH22 ARG 32 -9.430 -7.735 -7.349 230 H LEU 33 H LEU 33 -6.420 -15.813 -12.350 231 HA LEU 33 HA LEU 33 -8.776 -17.010 -13.140 232 HB2 LEU 33 HB2 LEU 33 -7.091 -16.969 -14.733 233 HB3 LEU 33 HB3 LEU 33 -5.897 -17.651 -13.630 234 HG LEU 33 HG LEU 33 -6.929 -19.843 -13.835 235 HD11 LEU 33 HD11 LEU 33 -9.234 -19.234 -14.125 236 HD12 LEU 33 HD12 LEU 33 -8.721 -20.197 -15.509 237 HD13 LEU 33 HD13 LEU 33 -8.877 -18.448 -15.663 238 HD21 LEU 33 HD21 LEU 33 -6.162 -18.392 -16.343 239 HD22 LEU 33 HD22 LEU 33 -6.601 -20.100 -16.378 240 HD23 LEU 33 HD23 LEU 33 -5.234 -19.561 -15.403 241 H LEU 34 H LEU 34 -6.123 -18.517 -11.299 242 HA LEU 34 HA LEU 34 -7.344 -21.008 -10.928 243 HB2 LEU 34 HB2 LEU 34 -5.270 -19.505 -9.361 244 HB3 LEU 34 HB3 LEU 34 -5.820 -21.107 -8.876 245 HG LEU 34 HG LEU 34 -3.776 -21.373 -10.061 246 HD11 LEU 34 HD11 LEU 34 -5.807 -22.866 -10.593 247 HD12 LEU 34 HD12 LEU 34 -4.397 -22.948 -11.650 248 HD13 LEU 34 HD13 LEU 34 -5.820 -22.032 -12.147 249 HD21 LEU 34 HD21 LEU 34 -4.784 -20.177 -12.579 250 HD22 LEU 34 HD22 LEU 34 -3.142 -20.264 -11.939 251 HD23 LEU 34 HD23 LEU 34 -4.275 -19.073 -11.300 252 H GLN 35 H GLN 35 -7.383 -18.100 -8.895 253 HA GLN 35 HA GLN 35 -8.761 -19.073 -6.708 254 HB2 GLN 35 HB2 GLN 35 -8.817 -16.353 -8.008 255 HB3 GLN 35 HB3 GLN 35 -9.639 -16.696 -6.492 256 HG2 GLN 35 HG2 GLN 35 -7.486 -17.359 -5.502 257 HG3 GLN 35 HG3 GLN 35 -6.684 -16.931 -7.013 258 HE21 GLN 35 HE21 GLN 35 -6.301 -15.846 -4.343 259 HE22 GLN 35 HE22 GLN 35 -6.608 -14.150 -4.461 260 H THR 36 H THR 36 -10.031 -17.928 -9.798 261 HA THR 36 HA THR 36 -12.773 -18.137 -9.045 262 HB THR 36 HB THR 36 -13.315 -17.658 -11.300 263 HG1 THR 36 HG1 THR 36 -11.454 -17.750 -12.879 264 HG21 THR 36 HG21 THR 36 -11.529 -16.088 -9.891 265 HG22 THR 36 HG22 THR 36 -12.453 -15.592 -11.308 266 HG23 THR 36 HG23 THR 36 -10.806 -16.196 -11.496 267 H LYS 37 H LYS 37 -10.400 -20.375 -10.143 268 HA LYS 37 HA LYS 37 -12.455 -22.375 -10.774 269 HB2 LYS 37 HB2 LYS 37 -9.471 -22.481 -11.253 270 HB3 LYS 37 HB3 LYS 37 -10.648 -23.671 -11.791 271 HG2 LYS 37 HG2 LYS 37 -10.423 -20.812 -12.706 272 HG3 LYS 37 HG3 LYS 37 -10.035 -22.263 -13.635 273 HD2 LYS 37 HD2 LYS 37 -12.519 -22.898 -13.132 274 HD3 LYS 37 HD3 LYS 37 -12.702 -21.165 -12.849 275 HE2 LYS 37 HE2 LYS 37 -12.375 -20.636 -15.039 276 HE3 LYS 37 HE3 LYS 37 -11.288 -21.995 -15.318 277 HZ1 LYS 37 HZ1 LYS 37 -13.656 -23.202 -14.818 278 HZ2 LYS 37 HZ2 LYS 37 -13.024 -22.899 -16.358 279 HZ3 LYS 37 HZ3 LYS 37 -14.135 -21.824 -15.674 280 H ASN 38 H ASN 38 -11.268 -21.358 -8.076 281 HA ASN 38 HA ASN 38 -10.850 -22.229 -6.018 282 HB2 ASN 38 HB2 ASN 38 -12.901 -23.626 -6.861 283 HB3 ASN 38 HB3 ASN 38 -11.728 -24.936 -6.964 284 HD21 ASN 38 HD21 ASN 38 -13.684 -25.427 -5.330 285 HD22 ASN 38 HD22 ASN 38 -13.235 -25.232 -3.673 286 H TYR 39 H TYR 39 -8.667 -22.109 -7.709 287 HA TYR 39 HA TYR 39 -6.536 -22.859 -7.973 288 HB2 TYR 39 HB2 TYR 39 -6.989 -24.638 -5.586 289 HB3 TYR 39 HB3 TYR 39 -5.499 -23.855 -6.100 290 HD1 TYR 39 HD1 TYR 39 -6.041 -21.109 -6.396 291 HD2 TYR 39 HD2 TYR 39 -7.740 -23.806 -3.577 292 HE1 TYR 39 HE1 TYR 39 -6.506 -19.226 -4.883 293 HE2 TYR 39 HE2 TYR 39 -8.210 -21.930 -2.057 294 HH TYR 39 HH TYR 39 -7.556 -19.707 -1.620 295 H ASP 40 H ASP 40 -7.935 -24.020 -9.791 296 HA ASP 40 HA ASP 40 -7.426 -26.915 -9.604 297 HB2 ASP 40 HB2 ASP 40 -9.621 -25.335 -10.750 298 HB3 ASP 40 HB3 ASP 40 -9.023 -26.605 -11.814 299 H ILE 41 H ILE 41 -6.479 -27.989 -11.378 300 HA ILE 41 HA ILE 41 -4.792 -26.239 -13.022 301 HB ILE 41 HB ILE 41 -4.419 -29.206 -12.788 302 HG12 ILE 41 HG12 ILE 41 -4.535 -28.414 -10.493 303 HG13 ILE 41 HG13 ILE 41 -2.863 -28.780 -10.903 304 HG21 ILE 41 HG21 ILE 41 -2.074 -27.503 -12.857 305 HG22 ILE 41 HG22 ILE 41 -2.529 -28.842 -13.909 306 HG23 ILE 41 HG23 ILE 41 -3.144 -27.220 -14.229 307 HD11 ILE 41 HD11 ILE 41 -4.074 -26.026 -10.900 308 HD12 ILE 41 HD12 ILE 41 -3.106 -26.716 -9.597 309 HD13 ILE 41 HD13 ILE 41 -2.382 -26.435 -11.181 310 H GLY 42 H GLY 42 -7.237 -28.727 -13.193 311 HA2 GLY 42 HA2 GLY 42 -6.938 -29.098 -16.049 312 HA3 GLY 42 HA3 GLY 42 -8.162 -29.829 -15.022 313 H ALA 43 H ALA 43 -8.663 -26.972 -13.985 314 HA ALA 43 HA ALA 43 -10.656 -26.339 -16.019 315 HB1 ALA 43 HB1 ALA 43 -11.632 -26.388 -13.905 316 HB2 ALA 43 HB2 ALA 43 -10.282 -25.535 -13.156 317 HB3 ALA 43 HB3 ALA 43 -11.396 -24.667 -14.212 318 H ALA 44 H ALA 44 -7.750 -25.032 -14.582 319 HA ALA 44 HA ALA 44 -8.054 -22.435 -15.799 320 HB1 ALA 44 HB1 ALA 44 -6.022 -21.856 -14.758 321 HB2 ALA 44 HB2 ALA 44 -6.859 -22.906 -13.614 322 HB3 ALA 44 HB3 ALA 44 -5.536 -23.544 -14.590 323 H LEU 45 H LEU 45 -6.846 -25.486 -16.745 324 HA LEU 45 HA LEU 45 -4.908 -24.579 -18.638 325 HB2 LEU 45 HB2 LEU 45 -6.215 -27.170 -17.985 326 HB3 LEU 45 HB3 LEU 45 -5.416 -27.006 -19.547 327 HG LEU 45 HG LEU 45 -4.034 -26.490 -16.921 328 HD11 LEU 45 HD11 LEU 45 -4.983 -28.920 -17.605 329 HD12 LEU 45 HD12 LEU 45 -3.502 -28.662 -16.684 330 HD13 LEU 45 HD13 LEU 45 -3.421 -28.944 -18.423 331 HD21 LEU 45 HD21 LEU 45 -2.408 -27.360 -19.131 332 HD22 LEU 45 HD22 LEU 45 -2.282 -25.899 -18.151 333 HD23 LEU 45 HD23 LEU 45 -3.335 -25.923 -19.565 334 H ASP 46 H ASP 46 -8.323 -24.850 -18.628 335 HA ASP 46 HA ASP 46 -8.406 -24.553 -21.556 336 HB2 ASP 46 HB2 ASP 46 -9.848 -26.265 -19.883 337 HB3 ASP 46 HB3 ASP 46 -10.990 -24.996 -20.315 338 H THR 47 H THR 47 -7.890 -22.479 -19.459 339 HA THR 47 HA THR 47 -10.190 -20.717 -19.989 340 HB THR 47 HB THR 47 -8.121 -20.194 -17.869 341 HG1 THR 47 HG1 THR 47 -10.560 -21.631 -17.521 342 HG21 THR 47 HG21 THR 47 -10.378 -19.198 -16.892 343 HG22 THR 47 HG22 THR 47 -10.807 -19.147 -18.602 344 HG23 THR 47 HG23 THR 47 -9.379 -18.289 -18.025 345 H ILE 48 H ILE 48 -7.560 -21.355 -21.509 346 HA ILE 48 HA ILE 48 -6.746 -18.545 -21.879 347 HB ILE 48 HB ILE 48 -4.925 -20.729 -22.746 348 HG12 ILE 48 HG12 ILE 48 -3.942 -20.382 -20.289 349 HG13 ILE 48 HG13 ILE 48 -5.643 -20.121 -19.918 350 HG21 ILE 48 HG21 ILE 48 -4.155 -18.593 -23.274 351 HG22 ILE 48 HG22 ILE 48 -4.673 -17.922 -21.728 352 HG23 ILE 48 HG23 ILE 48 -3.278 -18.999 -21.798 353 HD11 ILE 48 HD11 ILE 48 -5.354 -22.452 -21.551 354 HD12 ILE 48 HD12 ILE 48 -4.288 -22.556 -20.151 355 HD13 ILE 48 HD13 ILE 48 -6.018 -22.297 -19.925 356 H GLN 49 H GLN 49 -7.643 -21.562 -23.394 357 HA GLN 49 HA GLN 49 -7.014 -21.104 -26.037 358 HB2 GLN 49 HB2 GLN 49 -9.119 -22.473 -26.526 359 HB3 GLN 49 HB3 GLN 49 -7.892 -23.220 -25.513 360 HG2 GLN 49 HG2 GLN 49 -9.163 -22.775 -23.535 361 HG3 GLN 49 HG3 GLN 49 -10.333 -21.824 -24.449 362 HE21 GLN 49 HE21 GLN 49 -11.788 -23.379 -23.333 363 HE22 GLN 49 HE22 GLN 49 -12.125 -24.873 -24.130 364 H TYR 50 H TYR 50 -9.817 -19.947 -24.217 365 HA TYR 50 HA TYR 50 -10.100 -17.629 -25.808 366 HB2 TYR 50 HB2 TYR 50 -12.154 -18.091 -26.974 367 HB3 TYR 50 HB3 TYR 50 -10.988 -19.337 -27.405 368 HD1 TYR 50 HD1 TYR 50 -14.095 -18.618 -25.601 369 HD2 TYR 50 HD2 TYR 50 -11.296 -21.633 -26.687 370 HE1 TYR 50 HE1 TYR 50 -15.707 -20.349 -24.926 371 HE2 TYR 50 HE2 TYR 50 -12.901 -23.372 -26.016 372 HH TYR 50 HH TYR 50 -15.084 -23.248 -24.172 373 H SER 51 H SER 51 -11.182 -16.122 -24.684 374 HA SER 51 HA SER 51 -13.418 -16.550 -23.054 375 HB2 SER 51 HB2 SER 51 -12.006 -17.757 -21.534 376 HB3 SER 51 HB3 SER 51 -10.769 -16.502 -21.597 377 HG SER 51 HG SER 51 -11.775 -15.578 -20.016 378 H LYS 52 H LYS 52 -10.466 -14.637 -22.485 379 HA LYS 52 HA LYS 52 -11.998 -12.217 -22.236 380 HB2 LYS 52 HB2 LYS 52 -9.374 -13.106 -21.536 381 HB3 LYS 52 HB3 LYS 52 -9.226 -11.639 -22.494 382 HG2 LYS 52 HG2 LYS 52 -11.199 -11.691 -20.270 383 HG3 LYS 52 HG3 LYS 52 -9.483 -11.546 -19.885 384 HD2 LYS 52 HD2 LYS 52 -10.428 -9.784 -22.041 385 HD3 LYS 52 HD3 LYS 52 -11.118 -9.453 -20.450 386 HE2 LYS 52 HE2 LYS 52 -9.087 -8.890 -19.538 387 HE3 LYS 52 HE3 LYS 52 -8.179 -9.881 -20.679 388 HZ1 LYS 52 HZ1 LYS 52 -8.139 -8.240 -22.216 389 HZ2 LYS 52 HZ2 LYS 52 -8.269 -7.257 -20.845 390 HZ3 LYS 52 HZ3 LYS 52 -9.642 -7.606 -21.769 391 H HIS 53 H HIS 53 -9.729 -13.565 -24.597 392 HA HIS 53 HA HIS 53 -10.960 -12.229 -26.768 393 HB2 HIS 53 HB2 HIS 53 -9.709 -10.325 -25.694 394 HB3 HIS 53 HB3 HIS 53 -8.215 -11.183 -26.057 395 HD1 HIS 53 HD1 HIS 53 -7.856 -8.823 -27.426 396 HD2 HIS 53 HD2 HIS 53 -10.559 -11.562 -28.992 397 HE1 HIS 53 HE1 HIS 53 -8.160 -8.165 -29.834 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -5.947 -3.982 -12.530 2 HA2 GLY 1 HA2 GLY 1 -3.655 -2.650 -12.461 3 HA3 GLY 1 HA3 GLY 1 -4.543 -1.788 -11.214 4 HA PRO 2 HA PRO 2 -3.927 -6.344 -9.659 5 HB2 PRO 2 HB2 PRO 2 -2.080 -7.805 -11.010 6 HB3 PRO 2 HB3 PRO 2 -3.797 -7.803 -11.429 7 HG2 PRO 2 HG2 PRO 2 -1.540 -6.288 -12.682 8 HG3 PRO 2 HG3 PRO 2 -2.883 -7.143 -13.463 9 HD2 PRO 2 HD2 PRO 2 -2.860 -4.455 -13.137 10 HD3 PRO 2 HD3 PRO 2 -4.358 -5.408 -13.110 11 H LEU 3 H LEU 3 -2.861 -5.837 -7.845 12 HA LEU 3 HA LEU 3 0.039 -5.355 -8.029 13 HB2 LEU 3 HB2 LEU 3 -1.616 -3.421 -7.356 14 HB3 LEU 3 HB3 LEU 3 -1.558 -4.220 -5.786 15 HG LEU 3 HG LEU 3 1.065 -3.996 -6.224 16 HD11 LEU 3 HD11 LEU 3 -0.136 -1.649 -7.687 17 HD12 LEU 3 HD12 LEU 3 0.810 -2.949 -8.410 18 HD13 LEU 3 HD13 LEU 3 1.564 -1.844 -7.262 19 HD21 LEU 3 HD21 LEU 3 -0.718 -2.921 -4.504 20 HD22 LEU 3 HD22 LEU 3 -0.140 -1.468 -5.319 21 HD23 LEU 3 HD23 LEU 3 1.004 -2.538 -4.509 22 H GLY 4 H GLY 4 0.802 -7.332 -7.461 23 HA2 GLY 4 HA2 GLY 4 0.791 -8.072 -4.736 24 HA3 GLY 4 HA3 GLY 4 -0.331 -9.098 -5.618 25 H SER 5 H SER 5 2.958 -8.420 -4.910 26 HA SER 5 HA SER 5 4.029 -10.111 -6.993 27 HB2 SER 5 HB2 SER 5 5.235 -8.100 -6.064 28 HB3 SER 5 HB3 SER 5 5.473 -9.012 -4.573 29 HG SER 5 HG SER 5 7.172 -9.052 -6.330 30 H GLU 6 H GLU 6 3.263 -10.353 -3.579 31 HA GLU 6 HA GLU 6 4.571 -12.853 -3.160 32 HB2 GLU 6 HB2 GLU 6 3.299 -10.934 -1.558 33 HB3 GLU 6 HB3 GLU 6 2.357 -12.404 -1.358 34 HG2 GLU 6 HG2 GLU 6 3.929 -12.555 0.324 35 HG3 GLU 6 HG3 GLU 6 4.621 -13.550 -0.955 36 H ALA 7 H ALA 7 3.182 -14.746 -2.277 37 HA ALA 7 HA ALA 7 0.778 -15.129 -3.917 38 HB1 ALA 7 HB1 ALA 7 3.257 -16.324 -4.470 39 HB2 ALA 7 HB2 ALA 7 2.241 -17.589 -3.777 40 HB3 ALA 7 HB3 ALA 7 1.692 -16.695 -5.195 41 H ASP 8 H ASP 8 0.157 -17.692 -3.265 42 HA ASP 8 HA ASP 8 0.077 -17.745 -0.326 43 HB2 ASP 8 HB2 ASP 8 -2.137 -17.353 -2.133 44 HB3 ASP 8 HB3 ASP 8 -2.352 -18.845 -1.223 45 HA PRO 9 HA PRO 9 1.063 -22.011 -0.573 46 HB2 PRO 9 HB2 PRO 9 -0.410 -23.068 1.447 47 HB3 PRO 9 HB3 PRO 9 1.013 -22.058 1.723 48 HG2 PRO 9 HG2 PRO 9 -1.885 -21.312 1.806 49 HG3 PRO 9 HG3 PRO 9 -0.579 -20.850 2.913 50 HD2 PRO 9 HD2 PRO 9 -1.491 -19.201 0.969 51 HD3 PRO 9 HD3 PRO 9 0.201 -19.200 1.506 52 H ARG 10 H ARG 10 -2.394 -21.275 -0.411 53 HA ARG 10 HA ARG 10 -3.083 -23.826 -1.625 54 HB2 ARG 10 HB2 ARG 10 -4.627 -21.560 -0.428 55 HB3 ARG 10 HB3 ARG 10 -5.441 -22.666 -1.527 56 HG2 ARG 10 HG2 ARG 10 -5.770 -24.045 0.168 57 HG3 ARG 10 HG3 ARG 10 -4.023 -24.266 0.292 58 HD2 ARG 10 HD2 ARG 10 -3.908 -22.291 1.763 59 HD3 ARG 10 HD3 ARG 10 -5.663 -22.146 1.675 60 HE ARG 10 HE ARG 10 -4.842 -24.729 2.566 61 HH11 ARG 10 HH11 ARG 10 -5.335 -21.436 3.583 62 HH12 ARG 10 HH12 ARG 10 -5.621 -21.853 5.240 63 HH21 ARG 10 HH21 ARG 10 -5.217 -25.291 4.745 64 HH22 ARG 10 HH22 ARG 10 -5.553 -24.046 5.900 65 H LEU 11 H LEU 11 -1.725 -21.262 -2.878 66 HA LEU 11 HA LEU 11 -3.400 -21.249 -5.302 67 HB2 LEU 11 HB2 LEU 11 -3.417 -19.070 -4.341 68 HB3 LEU 11 HB3 LEU 11 -1.670 -19.092 -4.115 69 HG LEU 11 HG LEU 11 -1.460 -19.110 -6.629 70 HD11 LEU 11 HD11 LEU 11 -4.397 -19.010 -6.342 71 HD12 LEU 11 HD12 LEU 11 -3.401 -19.689 -7.629 72 HD13 LEU 11 HD13 LEU 11 -3.687 -17.950 -7.561 73 HD21 LEU 11 HD21 LEU 11 -2.919 -16.671 -5.679 74 HD22 LEU 11 HD22 LEU 11 -1.535 -16.788 -6.765 75 HD23 LEU 11 HD23 LEU 11 -1.329 -17.090 -5.039 76 H ILE 12 H ILE 12 -0.061 -21.018 -4.111 77 HA ILE 12 HA ILE 12 1.279 -21.171 -6.534 78 HB ILE 12 HB ILE 12 3.185 -22.088 -5.284 79 HG12 ILE 12 HG12 ILE 12 2.526 -22.116 -2.651 80 HG13 ILE 12 HG13 ILE 12 1.039 -22.740 -3.358 81 HG21 ILE 12 HG21 ILE 12 3.392 -19.890 -4.924 82 HG22 ILE 12 HG22 ILE 12 1.686 -19.701 -4.525 83 HG23 ILE 12 HG23 ILE 12 2.825 -20.247 -3.293 84 HD11 ILE 12 HD11 ILE 12 1.966 -24.735 -3.513 85 HD12 ILE 12 HD12 ILE 12 3.200 -24.081 -4.590 86 HD13 ILE 12 HD13 ILE 12 3.470 -24.099 -2.847 87 H GLU 13 H GLU 13 -0.320 -23.670 -4.704 88 HA GLU 13 HA GLU 13 0.849 -25.959 -5.738 89 HB2 GLU 13 HB2 GLU 13 -1.327 -27.069 -5.281 90 HB3 GLU 13 HB3 GLU 13 -0.751 -26.090 -3.939 91 HG2 GLU 13 HG2 GLU 13 -2.831 -25.285 -3.916 92 HG3 GLU 13 HG3 GLU 13 -2.283 -24.294 -5.267 93 H SER 14 H SER 14 -1.723 -23.951 -7.102 94 HA SER 14 HA SER 14 -2.158 -25.645 -9.363 95 HB2 SER 14 HB2 SER 14 -2.975 -22.796 -8.768 96 HB3 SER 14 HB3 SER 14 -3.446 -23.653 -10.235 97 HG SER 14 HG SER 14 -4.123 -24.255 -7.556 98 H LEU 15 H LEU 15 -0.548 -22.501 -8.924 99 HA LEU 15 HA LEU 15 0.276 -22.006 -11.493 100 HB2 LEU 15 HB2 LEU 15 1.664 -21.485 -8.877 101 HB3 LEU 15 HB3 LEU 15 2.283 -20.891 -10.417 102 HG LEU 15 HG LEU 15 -0.495 -20.159 -10.015 103 HD11 LEU 15 HD11 LEU 15 -0.086 -20.097 -7.694 104 HD12 LEU 15 HD12 LEU 15 0.080 -18.434 -8.258 105 HD13 LEU 15 HD13 LEU 15 1.518 -19.396 -7.917 106 HD21 LEU 15 HD21 LEU 15 0.169 -18.293 -11.088 107 HD22 LEU 15 HD22 LEU 15 1.595 -19.259 -11.467 108 HD23 LEU 15 HD23 LEU 15 1.632 -18.125 -10.116 109 H SER 16 H SER 16 1.836 -24.081 -9.086 110 HA SER 16 HA SER 16 4.186 -24.693 -10.385 111 HB2 SER 16 HB2 SER 16 2.418 -26.293 -8.555 112 HB3 SER 16 HB3 SER 16 3.879 -27.007 -9.236 113 HG SER 16 HG SER 16 4.738 -26.084 -7.534 114 H GLN 17 H GLN 17 0.956 -25.923 -10.990 115 HA GLN 17 HA GLN 17 1.826 -27.939 -12.842 116 HB2 GLN 17 HB2 GLN 17 -0.967 -26.834 -12.614 117 HB3 GLN 17 HB3 GLN 17 -0.471 -28.430 -13.162 118 HG2 GLN 17 HG2 GLN 17 0.522 -28.225 -10.572 119 HG3 GLN 17 HG3 GLN 17 -1.085 -27.503 -10.506 120 HE21 GLN 17 HE21 GLN 17 0.285 -30.205 -12.350 121 HE22 GLN 17 HE22 GLN 17 -0.872 -31.375 -11.825 122 H MET 18 H MET 18 0.500 -24.676 -13.058 123 HA MET 18 HA MET 18 0.171 -24.645 -15.868 124 HB2 MET 18 HB2 MET 18 0.689 -22.267 -14.080 125 HB3 MET 18 HB3 MET 18 -0.106 -22.264 -15.649 126 HG2 MET 18 HG2 MET 18 -1.414 -24.050 -13.788 127 HG3 MET 18 HG3 MET 18 -1.321 -22.402 -13.169 128 HE1 MET 18 HE1 MET 18 -1.603 -22.715 -17.232 129 HE2 MET 18 HE2 MET 18 -1.710 -24.277 -16.420 130 HE3 MET 18 HE3 MET 18 -3.134 -23.593 -17.203 131 H LEU 19 H LEU 19 2.710 -23.202 -13.817 132 HA LEU 19 HA LEU 19 4.363 -22.287 -15.848 133 HB2 LEU 19 HB2 LEU 19 5.286 -23.405 -13.208 134 HB3 LEU 19 HB3 LEU 19 6.133 -22.239 -14.223 135 HG LEU 19 HG LEU 19 3.452 -21.581 -13.057 136 HD11 LEU 19 HD11 LEU 19 4.989 -22.385 -11.246 137 HD12 LEU 19 HD12 LEU 19 4.451 -20.713 -11.084 138 HD13 LEU 19 HD13 LEU 19 6.075 -21.063 -11.675 139 HD21 LEU 19 HD21 LEU 19 4.038 -19.376 -13.476 140 HD22 LEU 19 HD22 LEU 19 4.714 -20.231 -14.863 141 HD23 LEU 19 HD23 LEU 19 5.764 -19.739 -13.534 142 H SER 20 H SER 20 4.168 -25.482 -14.367 143 HA SER 20 HA SER 20 6.435 -26.529 -15.765 144 HB2 SER 20 HB2 SER 20 5.388 -27.376 -13.557 145 HB3 SER 20 HB3 SER 20 4.230 -28.212 -14.592 146 HG SER 20 HG SER 20 6.349 -29.278 -13.905 147 H MET 21 H MET 21 3.015 -26.286 -16.387 148 HA MET 21 HA MET 21 3.000 -28.186 -18.540 149 HB2 MET 21 HB2 MET 21 1.046 -26.338 -17.289 150 HB3 MET 21 HB3 MET 21 0.750 -26.779 -18.965 151 HG2 MET 21 HG2 MET 21 0.869 -29.163 -18.309 152 HG3 MET 21 HG3 MET 21 1.027 -28.654 -16.630 153 HE1 MET 21 HE1 MET 21 -2.417 -26.645 -16.282 154 HE2 MET 21 HE2 MET 21 -0.920 -27.057 -15.445 155 HE3 MET 21 HE3 MET 21 -0.876 -26.019 -16.869 156 H GLY 22 H GLY 22 3.665 -24.805 -18.190 157 HA2 GLY 22 HA2 GLY 22 5.061 -23.956 -20.096 158 HA3 GLY 22 HA3 GLY 22 3.768 -24.542 -21.132 159 H PHE 23 H PHE 23 3.840 -22.631 -18.124 160 HA PHE 23 HA PHE 23 2.605 -20.399 -19.548 161 HB2 PHE 23 HB2 PHE 23 1.405 -21.753 -17.127 162 HB3 PHE 23 HB3 PHE 23 0.917 -20.160 -17.696 163 HD1 PHE 23 HD1 PHE 23 0.858 -23.751 -18.386 164 HD2 PHE 23 HD2 PHE 23 -0.389 -19.900 -19.702 165 HE1 PHE 23 HE1 PHE 23 -0.741 -24.802 -19.933 166 HE2 PHE 23 HE2 PHE 23 -1.990 -20.944 -21.251 167 HZ PHE 23 HZ PHE 23 -2.168 -23.398 -21.368 168 H SER 24 H SER 24 2.222 -18.562 -17.779 169 HA SER 24 HA SER 24 4.336 -18.501 -15.788 170 HB2 SER 24 HB2 SER 24 4.410 -16.077 -17.432 171 HB3 SER 24 HB3 SER 24 5.737 -17.058 -16.810 172 HG SER 24 HG SER 24 4.983 -16.931 -19.270 173 H ASP 25 H ASP 25 4.336 -15.854 -15.152 174 HA ASP 25 HA ASP 25 1.515 -15.173 -14.678 175 HB2 ASP 25 HB2 ASP 25 2.546 -16.305 -12.681 176 HB3 ASP 25 HB3 ASP 25 3.673 -14.956 -12.574 177 H GLU 26 H GLU 26 3.624 -14.166 -16.521 178 HA GLU 26 HA GLU 26 4.730 -11.755 -15.738 179 HB2 GLU 26 HB2 GLU 26 3.570 -12.327 -18.468 180 HB3 GLU 26 HB3 GLU 26 4.842 -11.177 -18.079 181 HG2 GLU 26 HG2 GLU 26 5.734 -13.645 -17.114 182 HG3 GLU 26 HG3 GLU 26 5.033 -13.970 -18.698 183 H GLY 27 H GLY 27 3.806 -10.010 -14.904 184 HA2 GLY 27 HA2 GLY 27 2.423 -8.104 -15.020 185 HA3 GLY 27 HA3 GLY 27 1.360 -8.970 -16.120 186 H GLY 28 H GLY 28 1.105 -11.331 -14.488 187 HA2 GLY 28 HA2 GLY 28 0.335 -11.834 -12.223 188 HA3 GLY 28 HA3 GLY 28 -0.374 -10.227 -12.181 189 H TRP 29 H TRP 29 -0.506 -12.785 -14.649 190 HA TRP 29 HA TRP 29 -3.425 -12.522 -14.640 191 HB2 TRP 29 HB2 TRP 29 -3.418 -13.411 -16.839 192 HB3 TRP 29 HB3 TRP 29 -2.063 -12.286 -16.778 193 HD1 TRP 29 HD1 TRP 29 0.414 -13.345 -16.808 194 HE1 TRP 29 HE1 TRP 29 1.277 -15.625 -17.634 195 HE3 TRP 29 HE3 TRP 29 -4.030 -15.862 -17.036 196 HZ2 TRP 29 HZ2 TRP 29 0.215 -18.155 -18.296 197 HZ3 TRP 29 HZ3 TRP 29 -4.020 -18.209 -17.776 198 HH2 TRP 29 HH2 TRP 29 -1.940 -19.330 -18.393 199 H LEU 30 H LEU 30 -0.905 -14.641 -13.709 200 HA LEU 30 HA LEU 30 -2.766 -16.904 -13.491 201 HB2 LEU 30 HB2 LEU 30 -0.486 -17.101 -14.640 202 HB3 LEU 30 HB3 LEU 30 0.196 -17.013 -13.017 203 HG LEU 30 HG LEU 30 -1.096 -19.045 -12.418 204 HD11 LEU 30 HD11 LEU 30 -2.518 -20.093 -13.813 205 HD12 LEU 30 HD12 LEU 30 -1.557 -19.724 -15.245 206 HD13 LEU 30 HD13 LEU 30 -2.632 -18.502 -14.566 207 HD21 LEU 30 HD21 LEU 30 0.343 -20.091 -14.695 208 HD22 LEU 30 HD22 LEU 30 0.705 -20.225 -12.974 209 HD23 LEU 30 HD23 LEU 30 1.255 -18.818 -13.884 210 H THR 31 H THR 31 -1.823 -14.372 -11.699 211 HA THR 31 HA THR 31 -1.444 -15.795 -9.184 212 HB THR 31 HB THR 31 -0.046 -13.841 -9.545 213 HG1 THR 31 HG1 THR 31 -0.286 -13.668 -7.453 214 HG21 THR 31 HG21 THR 31 -2.301 -12.744 -10.739 215 HG22 THR 31 HG22 THR 31 -0.773 -11.921 -10.429 216 HG23 THR 31 HG23 THR 31 -2.091 -11.803 -9.262 217 H ARG 32 H ARG 32 -3.945 -14.281 -10.989 218 HA ARG 32 HA ARG 32 -5.732 -14.432 -8.650 219 HB2 ARG 32 HB2 ARG 32 -6.016 -12.628 -11.059 220 HB3 ARG 32 HB3 ARG 32 -7.084 -12.674 -9.663 221 HG2 ARG 32 HG2 ARG 32 -4.255 -12.196 -9.043 222 HG3 ARG 32 HG3 ARG 32 -5.047 -10.928 -9.980 223 HD2 ARG 32 HD2 ARG 32 -6.921 -11.475 -8.074 224 HD3 ARG 32 HD3 ARG 32 -5.419 -11.725 -7.186 225 HE ARG 32 HE ARG 32 -5.040 -9.348 -8.444 226 HH11 ARG 32 HH11 ARG 32 -7.515 -10.616 -6.348 227 HH12 ARG 32 HH12 ARG 32 -7.908 -9.073 -5.664 228 HH21 ARG 32 HH21 ARG 32 -5.549 -7.312 -7.550 229 HH22 ARG 32 HH22 ARG 32 -6.790 -7.195 -6.349 230 H LEU 33 H LEU 33 -5.186 -15.294 -11.967 231 HA LEU 33 HA LEU 33 -7.691 -16.048 -12.834 232 HB2 LEU 33 HB2 LEU 33 -6.010 -16.184 -14.422 233 HB3 LEU 33 HB3 LEU 33 -4.946 -17.104 -13.360 234 HG LEU 33 HG LEU 33 -6.292 -19.097 -13.693 235 HD11 LEU 33 HD11 LEU 33 -8.044 -18.929 -15.578 236 HD12 LEU 33 HD12 LEU 33 -8.063 -17.208 -15.195 237 HD13 LEU 33 HD13 LEU 33 -8.486 -18.391 -13.958 238 HD21 LEU 33 HD21 LEU 33 -5.965 -19.306 -16.211 239 HD22 LEU 33 HD22 LEU 33 -4.542 -18.911 -15.246 240 HD23 LEU 33 HD23 LEU 33 -5.368 -17.647 -16.157 241 H LEU 34 H LEU 34 -5.336 -18.084 -11.098 242 HA LEU 34 HA LEU 34 -6.951 -20.359 -10.885 243 HB2 LEU 34 HB2 LEU 34 -4.675 -19.318 -9.226 244 HB3 LEU 34 HB3 LEU 34 -5.483 -20.838 -8.847 245 HG LEU 34 HG LEU 34 -3.501 -21.360 -10.049 246 HD11 LEU 34 HD11 LEU 34 -5.561 -22.608 -10.649 247 HD12 LEU 34 HD12 LEU 34 -4.360 -22.558 -11.940 248 HD13 LEU 34 HD13 LEU 34 -5.779 -21.513 -12.015 249 HD21 LEU 34 HD21 LEU 34 -4.262 -19.850 -12.481 250 HD22 LEU 34 HD22 LEU 34 -2.666 -20.243 -11.840 251 HD23 LEU 34 HD23 LEU 34 -3.603 -18.928 -11.128 252 H GLN 35 H GLN 35 -6.523 -17.629 -8.657 253 HA GLN 35 HA GLN 35 -8.113 -18.531 -6.566 254 HB2 GLN 35 HB2 GLN 35 -7.558 -15.744 -7.574 255 HB3 GLN 35 HB3 GLN 35 -8.486 -16.055 -6.113 256 HG2 GLN 35 HG2 GLN 35 -6.599 -17.142 -5.088 257 HG3 GLN 35 HG3 GLN 35 -5.665 -16.992 -6.575 258 HE21 GLN 35 HE21 GLN 35 -5.334 -15.945 -3.770 259 HE22 GLN 35 HE22 GLN 35 -5.046 -14.254 -3.977 260 H THR 36 H THR 36 -9.015 -16.987 -9.590 261 HA THR 36 HA THR 36 -11.783 -16.694 -8.852 262 HB THR 36 HB THR 36 -12.152 -15.827 -11.037 263 HG1 THR 36 HG1 THR 36 -10.313 -15.983 -12.588 264 HG21 THR 36 HG21 THR 36 -10.150 -14.822 -9.365 265 HG22 THR 36 HG22 THR 36 -11.025 -13.946 -10.620 266 HG23 THR 36 HG23 THR 36 -9.485 -14.721 -10.995 267 H LYS 37 H LYS 37 -9.884 -19.270 -9.838 268 HA LYS 37 HA LYS 37 -12.225 -20.708 -10.907 269 HB2 LYS 37 HB2 LYS 37 -9.287 -21.209 -11.421 270 HB3 LYS 37 HB3 LYS 37 -10.600 -22.211 -12.025 271 HG2 LYS 37 HG2 LYS 37 -10.051 -19.336 -12.729 272 HG3 LYS 37 HG3 LYS 37 -9.848 -20.747 -13.770 273 HD2 LYS 37 HD2 LYS 37 -12.384 -21.122 -13.266 274 HD3 LYS 37 HD3 LYS 37 -12.357 -19.406 -12.850 275 HE2 LYS 37 HE2 LYS 37 -11.905 -18.754 -15.006 276 HE3 LYS 37 HE3 LYS 37 -11.126 -20.281 -15.419 277 HZ1 LYS 37 HZ1 LYS 37 -13.809 -20.794 -14.806 278 HZ2 LYS 37 HZ2 LYS 37 -13.022 -20.970 -16.293 279 HZ3 LYS 37 HZ3 LYS 37 -13.768 -19.504 -15.900 280 H ASN 38 H ASN 38 -10.911 -20.280 -8.103 281 HA ASN 38 HA ASN 38 -10.756 -21.469 -6.171 282 HB2 ASN 38 HB2 ASN 38 -12.041 -23.794 -7.595 283 HB3 ASN 38 HB3 ASN 38 -12.142 -23.367 -5.889 284 HD21 ASN 38 HD21 ASN 38 -12.836 -20.812 -5.840 285 HD22 ASN 38 HD22 ASN 38 -14.349 -20.551 -6.631 286 H TYR 39 H TYR 39 -8.508 -21.456 -7.773 287 HA TYR 39 HA TYR 39 -6.522 -22.502 -8.157 288 HB2 TYR 39 HB2 TYR 39 -7.237 -24.383 -5.919 289 HB3 TYR 39 HB3 TYR 39 -5.652 -23.762 -6.366 290 HD1 TYR 39 HD1 TYR 39 -5.740 -20.984 -6.389 291 HD2 TYR 39 HD2 TYR 39 -7.985 -23.598 -3.893 292 HE1 TYR 39 HE1 TYR 39 -5.970 -19.188 -4.725 293 HE2 TYR 39 HE2 TYR 39 -8.223 -21.809 -2.223 294 HH TYR 39 HH TYR 39 -8.171 -19.254 -2.242 295 H ASP 40 H ASP 40 -8.057 -23.304 -10.055 296 HA ASP 40 HA ASP 40 -8.003 -26.248 -10.087 297 HB2 ASP 40 HB2 ASP 40 -9.912 -24.277 -11.077 298 HB3 ASP 40 HB3 ASP 40 -9.451 -25.445 -12.312 299 H ILE 41 H ILE 41 -7.159 -27.334 -11.894 300 HA ILE 41 HA ILE 41 -5.160 -25.773 -13.363 301 HB ILE 41 HB ILE 41 -5.325 -28.771 -13.372 302 HG12 ILE 41 HG12 ILE 41 -5.350 -28.128 -11.022 303 HG13 ILE 41 HG13 ILE 41 -3.770 -28.779 -11.445 304 HG21 ILE 41 HG21 ILE 41 -2.714 -27.506 -13.291 305 HG22 ILE 41 HG22 ILE 41 -3.371 -28.672 -14.439 306 HG23 ILE 41 HG23 ILE 41 -3.689 -26.951 -14.652 307 HD11 ILE 41 HD11 ILE 41 -4.422 -25.848 -11.268 308 HD12 ILE 41 HD12 ILE 41 -3.661 -26.795 -9.990 309 HD13 ILE 41 HD13 ILE 41 -2.834 -26.569 -11.531 310 H GLY 42 H GLY 42 -7.980 -27.793 -13.808 311 HA2 GLY 42 HA2 GLY 42 -7.653 -27.951 -16.680 312 HA3 GLY 42 HA3 GLY 42 -9.016 -28.553 -15.747 313 H ALA 43 H ALA 43 -9.092 -25.768 -14.452 314 HA ALA 43 HA ALA 43 -10.874 -24.626 -16.458 315 HB1 ALA 43 HB1 ALA 43 -11.331 -24.945 -13.892 316 HB2 ALA 43 HB2 ALA 43 -10.493 -23.398 -13.772 317 HB3 ALA 43 HB3 ALA 43 -11.951 -23.537 -14.754 318 H ALA 44 H ALA 44 -7.798 -24.029 -14.958 319 HA ALA 44 HA ALA 44 -7.639 -21.293 -15.893 320 HB1 ALA 44 HB1 ALA 44 -5.419 -22.955 -14.721 321 HB2 ALA 44 HB2 ALA 44 -5.524 -21.197 -14.812 322 HB3 ALA 44 HB3 ALA 44 -6.609 -22.091 -13.746 323 H LEU 45 H LEU 45 -6.980 -24.399 -17.122 324 HA LEU 45 HA LEU 45 -4.866 -23.645 -18.912 325 HB2 LEU 45 HB2 LEU 45 -6.552 -26.074 -18.508 326 HB3 LEU 45 HB3 LEU 45 -5.626 -25.902 -19.997 327 HG LEU 45 HG LEU 45 -4.364 -25.764 -17.268 328 HD11 LEU 45 HD11 LEU 45 -5.624 -27.961 -17.951 329 HD12 LEU 45 HD12 LEU 45 -4.019 -28.026 -17.223 330 HD13 LEU 45 HD13 LEU 45 -4.203 -28.202 -18.968 331 HD21 LEU 45 HD21 LEU 45 -3.430 -25.201 -19.847 332 HD22 LEU 45 HD22 LEU 45 -2.744 -26.768 -19.417 333 HD23 LEU 45 HD23 LEU 45 -2.478 -25.373 -18.372 334 H ASP 46 H ASP 46 -8.251 -23.328 -18.905 335 HA ASP 46 HA ASP 46 -8.285 -22.894 -21.818 336 HB2 ASP 46 HB2 ASP 46 -9.992 -24.425 -20.239 337 HB3 ASP 46 HB3 ASP 46 -10.902 -22.950 -20.549 338 H THR 47 H THR 47 -7.460 -21.063 -19.559 339 HA THR 47 HA THR 47 -9.385 -18.888 -20.055 340 HB THR 47 HB THR 47 -7.363 -18.869 -17.828 341 HG1 THR 47 HG1 THR 47 -8.945 -20.754 -17.869 342 HG21 THR 47 HG21 THR 47 -9.330 -17.495 -16.829 343 HG22 THR 47 HG22 THR 47 -9.871 -17.377 -18.503 344 HG23 THR 47 HG23 THR 47 -8.289 -16.750 -18.041 345 H ILE 48 H ILE 48 -6.881 -19.882 -21.555 346 HA ILE 48 HA ILE 48 -5.534 -17.263 -21.679 347 HB ILE 48 HB ILE 48 -4.129 -19.685 -22.677 348 HG12 ILE 48 HG12 ILE 48 -3.186 -19.715 -20.181 349 HG13 ILE 48 HG13 ILE 48 -4.818 -19.159 -19.826 350 HG21 ILE 48 HG21 ILE 48 -2.906 -17.753 -23.021 351 HG22 ILE 48 HG22 ILE 48 -3.412 -17.037 -21.492 352 HG23 ILE 48 HG23 ILE 48 -2.237 -18.351 -21.503 353 HD11 ILE 48 HD11 ILE 48 -4.965 -21.362 -21.624 354 HD12 ILE 48 HD12 ILE 48 -3.927 -21.790 -20.264 355 HD13 ILE 48 HD13 ILE 48 -5.574 -21.227 -19.975 356 H GLN 49 H GLN 49 -6.916 -19.939 -23.451 357 HA GLN 49 HA GLN 49 -6.121 -19.404 -26.034 358 HB2 GLN 49 HB2 GLN 49 -8.894 -20.263 -25.194 359 HB3 GLN 49 HB3 GLN 49 -8.152 -20.517 -26.769 360 HG2 GLN 49 HG2 GLN 49 -6.401 -21.626 -24.871 361 HG3 GLN 49 HG3 GLN 49 -8.026 -22.144 -24.427 362 HE21 GLN 49 HE21 GLN 49 -9.071 -23.613 -25.666 363 HE22 GLN 49 HE22 GLN 49 -8.379 -24.377 -27.052 364 H TYR 50 H TYR 50 -8.891 -18.013 -24.293 365 HA TYR 50 HA TYR 50 -8.685 -15.603 -25.890 366 HB2 TYR 50 HB2 TYR 50 -11.110 -15.660 -26.493 367 HB3 TYR 50 HB3 TYR 50 -10.149 -16.892 -27.303 368 HD1 TYR 50 HD1 TYR 50 -10.278 -19.262 -26.517 369 HD2 TYR 50 HD2 TYR 50 -12.906 -16.250 -25.057 370 HE1 TYR 50 HE1 TYR 50 -11.809 -21.003 -25.696 371 HE2 TYR 50 HE2 TYR 50 -14.443 -17.983 -24.231 372 HH TYR 50 HH TYR 50 -14.860 -20.155 -24.083 373 H SER 51 H SER 51 -10.456 -17.397 -23.407 374 HA SER 51 HA SER 51 -11.709 -15.196 -22.190 375 HB2 SER 51 HB2 SER 51 -11.013 -17.259 -20.275 376 HB3 SER 51 HB3 SER 51 -12.600 -16.790 -20.885 377 HG SER 51 HG SER 51 -12.538 -18.629 -21.889 378 H LYS 52 H LYS 52 -11.192 -14.735 -19.743 379 HA LYS 52 HA LYS 52 -8.311 -14.426 -19.328 380 HB2 LYS 52 HB2 LYS 52 -10.332 -12.187 -19.347 381 HB3 LYS 52 HB3 LYS 52 -8.770 -12.045 -18.552 382 HG2 LYS 52 HG2 LYS 52 -8.243 -12.997 -21.137 383 HG3 LYS 52 HG3 LYS 52 -9.438 -11.710 -21.314 384 HD2 LYS 52 HD2 LYS 52 -7.099 -11.266 -19.520 385 HD3 LYS 52 HD3 LYS 52 -6.862 -11.173 -21.267 386 HE2 LYS 52 HE2 LYS 52 -9.121 -9.690 -19.992 387 HE3 LYS 52 HE3 LYS 52 -7.488 -9.033 -19.906 388 HZ1 LYS 52 HZ1 LYS 52 -8.642 -8.153 -21.813 389 HZ2 LYS 52 HZ2 LYS 52 -8.974 -9.710 -22.386 390 HZ3 LYS 52 HZ3 LYS 52 -7.379 -9.150 -22.335 391 H HIS 53 H HIS 53 -11.501 -13.706 -17.906 392 HA HIS 53 HA HIS 53 -10.494 -14.786 -15.357 393 HB2 HIS 53 HB2 HIS 53 -12.072 -13.181 -14.233 394 HB3 HIS 53 HB3 HIS 53 -10.715 -12.419 -15.056 395 HD1 HIS 53 HD1 HIS 53 -11.875 -10.197 -15.476 396 HD2 HIS 53 HD2 HIS 53 -13.956 -13.451 -17.007 397 HE1 HIS 53 HE1 HIS 53 -13.682 -9.218 -16.924 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 9.435 0.879 -8.323 2 HA2 GLY 1 HA2 GLY 1 11.509 1.074 -6.699 3 HA3 GLY 1 HA3 GLY 1 10.483 2.324 -6.010 4 HA PRO 2 HA PRO 2 8.257 -0.600 -3.629 5 HB2 PRO 2 HB2 PRO 2 5.659 0.120 -3.946 6 HB3 PRO 2 HB3 PRO 2 6.814 1.078 -3.012 7 HG2 PRO 2 HG2 PRO 2 5.862 1.471 -5.823 8 HG3 PRO 2 HG3 PRO 2 6.108 2.677 -4.546 9 HD2 PRO 2 HD2 PRO 2 7.903 2.271 -6.532 10 HD3 PRO 2 HD3 PRO 2 8.384 2.768 -4.897 11 H LEU 3 H LEU 3 7.508 -2.643 -3.800 12 HA LEU 3 HA LEU 3 5.674 -3.524 -5.768 13 HB2 LEU 3 HB2 LEU 3 8.232 -3.277 -6.744 14 HB3 LEU 3 HB3 LEU 3 8.153 -4.975 -6.280 15 HG LEU 3 HG LEU 3 5.992 -3.810 -7.984 16 HD11 LEU 3 HD11 LEU 3 8.603 -3.525 -8.741 17 HD12 LEU 3 HD12 LEU 3 7.227 -3.638 -9.838 18 HD13 LEU 3 HD13 LEU 3 8.170 -5.078 -9.456 19 HD21 LEU 3 HD21 LEU 3 6.442 -6.263 -8.916 20 HD22 LEU 3 HD22 LEU 3 5.403 -5.954 -7.525 21 HD23 LEU 3 HD23 LEU 3 7.070 -6.479 -7.282 22 H GLY 4 H GLY 4 4.718 -5.350 -5.080 23 HA2 GLY 4 HA2 GLY 4 6.182 -7.243 -3.422 24 HA3 GLY 4 HA3 GLY 4 4.849 -6.410 -2.636 25 H SER 5 H SER 5 5.650 -9.203 -4.090 26 HA SER 5 HA SER 5 2.978 -9.611 -5.255 27 HB2 SER 5 HB2 SER 5 5.317 -10.074 -6.484 28 HB3 SER 5 HB3 SER 5 5.123 -11.629 -5.675 29 HG SER 5 HG SER 5 3.023 -10.478 -7.168 30 H GLU 6 H GLU 6 1.580 -10.696 -4.054 31 HA GLU 6 HA GLU 6 2.617 -12.627 -2.084 32 HB2 GLU 6 HB2 GLU 6 0.391 -12.181 -0.904 33 HB3 GLU 6 HB3 GLU 6 1.609 -10.915 -0.832 34 HG2 GLU 6 HG2 GLU 6 0.438 -9.514 -2.218 35 HG3 GLU 6 HG3 GLU 6 -0.428 -10.835 -3.000 36 H ALA 7 H ALA 7 0.981 -14.351 -1.509 37 HA ALA 7 HA ALA 7 -0.953 -15.046 -3.527 38 HB1 ALA 7 HB1 ALA 7 1.662 -16.497 -3.332 39 HB2 ALA 7 HB2 ALA 7 0.205 -17.309 -3.908 40 HB3 ALA 7 HB3 ALA 7 0.827 -15.899 -4.765 41 H ASP 8 H ASP 8 -1.515 -17.578 -3.043 42 HA ASP 8 HA ASP 8 -1.778 -17.805 -0.117 43 HB2 ASP 8 HB2 ASP 8 -3.846 -17.576 -2.116 44 HB3 ASP 8 HB3 ASP 8 -3.982 -19.116 -1.273 45 HA PRO 9 HA PRO 9 -0.320 -21.931 -0.398 46 HB2 PRO 9 HB2 PRO 9 -1.851 -23.217 1.438 47 HB3 PRO 9 HB3 PRO 9 -0.577 -22.075 1.881 48 HG2 PRO 9 HG2 PRO 9 -3.534 -21.640 1.707 49 HG3 PRO 9 HG3 PRO 9 -2.393 -21.090 2.948 50 HD2 PRO 9 HD2 PRO 9 -3.294 -19.468 0.976 51 HD3 PRO 9 HD3 PRO 9 -1.669 -19.311 1.673 52 H ARG 10 H ARG 10 -3.838 -21.573 -0.539 53 HA ARG 10 HA ARG 10 -4.139 -24.132 -1.882 54 HB2 ARG 10 HB2 ARG 10 -6.242 -22.038 -1.309 55 HB3 ARG 10 HB3 ARG 10 -6.519 -23.712 -1.773 56 HG2 ARG 10 HG2 ARG 10 -5.209 -22.816 0.786 57 HG3 ARG 10 HG3 ARG 10 -6.892 -23.320 0.618 58 HD2 ARG 10 HD2 ARG 10 -5.417 -25.372 -0.544 59 HD3 ARG 10 HD3 ARG 10 -4.498 -24.921 0.891 60 HE ARG 10 HE ARG 10 -7.059 -26.222 0.809 61 HH11 ARG 10 HH11 ARG 10 -4.914 -24.242 2.705 62 HH12 ARG 10 HH12 ARG 10 -5.608 -24.713 4.221 63 HH21 ARG 10 HH21 ARG 10 -7.982 -26.850 2.798 64 HH22 ARG 10 HH22 ARG 10 -7.352 -26.197 4.273 65 H LEU 11 H LEU 11 -2.964 -21.368 -2.920 66 HA LEU 11 HA LEU 11 -4.372 -21.457 -5.507 67 HB2 LEU 11 HB2 LEU 11 -4.710 -19.322 -4.530 68 HB3 LEU 11 HB3 LEU 11 -3.011 -19.185 -4.082 69 HG LEU 11 HG LEU 11 -2.503 -19.116 -6.565 70 HD11 LEU 11 HD11 LEU 11 -5.447 -19.253 -6.610 71 HD12 LEU 11 HD12 LEU 11 -4.263 -19.772 -7.810 72 HD13 LEU 11 HD13 LEU 11 -4.708 -18.070 -7.690 73 HD21 LEU 11 HD21 LEU 11 -4.090 -16.729 -6.244 74 HD22 LEU 11 HD22 LEU 11 -2.337 -16.921 -6.261 75 HD23 LEU 11 HD23 LEU 11 -3.231 -17.126 -4.755 76 H ILE 12 H ILE 12 -1.211 -20.999 -3.963 77 HA ILE 12 HA ILE 12 0.373 -20.921 -6.248 78 HB ILE 12 HB ILE 12 2.224 -21.716 -4.828 79 HG12 ILE 12 HG12 ILE 12 1.142 -21.794 -2.271 80 HG13 ILE 12 HG13 ILE 12 -0.005 -22.717 -3.235 81 HG21 ILE 12 HG21 ILE 12 2.140 -19.487 -4.502 82 HG22 ILE 12 HG22 ILE 12 0.423 -19.503 -4.103 83 HG23 ILE 12 HG23 ILE 12 1.616 -19.950 -2.884 84 HD11 ILE 12 HD11 ILE 12 2.423 -23.682 -4.074 85 HD12 ILE 12 HD12 ILE 12 2.671 -23.407 -2.350 86 HD13 ILE 12 HD13 ILE 12 1.351 -24.442 -2.898 87 H GLU 13 H GLU 13 -1.162 -23.616 -4.662 88 HA GLU 13 HA GLU 13 0.326 -25.747 -5.636 89 HB2 GLU 13 HB2 GLU 13 -1.882 -27.017 -5.511 90 HB3 GLU 13 HB3 GLU 13 -1.325 -26.245 -4.032 91 HG2 GLU 13 HG2 GLU 13 -2.956 -24.617 -4.106 92 HG3 GLU 13 HG3 GLU 13 -3.208 -24.801 -5.840 93 H SER 14 H SER 14 -2.177 -23.838 -7.204 94 HA SER 14 HA SER 14 -2.292 -25.520 -9.534 95 HB2 SER 14 HB2 SER 14 -3.417 -22.776 -8.944 96 HB3 SER 14 HB3 SER 14 -3.677 -23.628 -10.466 97 HG SER 14 HG SER 14 -5.044 -24.929 -9.511 98 H LEU 15 H LEU 15 -1.027 -22.264 -8.847 99 HA LEU 15 HA LEU 15 -0.016 -21.601 -11.310 100 HB2 LEU 15 HB2 LEU 15 1.075 -21.056 -8.562 101 HB3 LEU 15 HB3 LEU 15 1.761 -20.343 -10.020 102 HG LEU 15 HG LEU 15 -1.093 -19.891 -9.865 103 HD11 LEU 15 HD11 LEU 15 -0.890 -19.941 -7.501 104 HD12 LEU 15 HD12 LEU 15 -0.916 -18.244 -7.979 105 HD13 LEU 15 HD13 LEU 15 0.610 -19.015 -7.544 106 HD21 LEU 15 HD21 LEU 15 -0.508 -17.924 -10.787 107 HD22 LEU 15 HD22 LEU 15 1.047 -18.719 -11.032 108 HD23 LEU 15 HD23 LEU 15 0.809 -17.659 -9.642 109 H SER 16 H SER 16 1.500 -23.612 -8.822 110 HA SER 16 HA SER 16 4.008 -23.962 -9.897 111 HB2 SER 16 HB2 SER 16 3.707 -24.947 -7.803 112 HB3 SER 16 HB3 SER 16 2.222 -25.764 -8.292 113 HG SER 16 HG SER 16 3.355 -27.354 -9.135 114 H GLN 17 H GLN 17 0.977 -25.403 -10.897 115 HA GLN 17 HA GLN 17 2.218 -27.261 -12.716 116 HB2 GLN 17 HB2 GLN 17 -0.683 -26.448 -12.704 117 HB3 GLN 17 HB3 GLN 17 0.019 -27.955 -13.277 118 HG2 GLN 17 HG2 GLN 17 0.760 -27.812 -10.606 119 HG3 GLN 17 HG3 GLN 17 -0.904 -27.231 -10.642 120 HE21 GLN 17 HE21 GLN 17 -0.019 -29.627 -9.428 121 HE22 GLN 17 HE22 GLN 17 -0.775 -30.946 -10.249 122 H MET 18 H MET 18 0.584 -24.140 -12.932 123 HA MET 18 HA MET 18 0.521 -24.010 -15.760 124 HB2 MET 18 HB2 MET 18 0.593 -21.682 -13.838 125 HB3 MET 18 HB3 MET 18 -0.038 -21.684 -15.479 126 HG2 MET 18 HG2 MET 18 -1.321 -23.693 -13.850 127 HG3 MET 18 HG3 MET 18 -1.462 -22.088 -13.137 128 HE1 MET 18 HE1 MET 18 -1.315 -23.769 -16.494 129 HE2 MET 18 HE2 MET 18 -2.757 -23.246 -17.366 130 HE3 MET 18 HE3 MET 18 -1.363 -22.172 -17.244 131 H LEU 19 H LEU 19 2.629 -22.296 -13.443 132 HA LEU 19 HA LEU 19 4.374 -21.187 -15.290 133 HB2 LEU 19 HB2 LEU 19 5.157 -22.178 -12.558 134 HB3 LEU 19 HB3 LEU 19 5.914 -20.884 -13.485 135 HG LEU 19 HG LEU 19 3.176 -20.821 -12.218 136 HD11 LEU 19 HD11 LEU 19 4.998 -18.755 -11.418 137 HD12 LEU 19 HD12 LEU 19 5.715 -20.341 -11.138 138 HD13 LEU 19 HD13 LEU 19 4.149 -19.944 -10.430 139 HD21 LEU 19 HD21 LEU 19 3.300 -19.605 -14.378 140 HD22 LEU 19 HD22 LEU 19 4.620 -18.640 -13.717 141 HD23 LEU 19 HD23 LEU 19 3.014 -18.551 -12.993 142 H SER 20 H SER 20 4.291 -24.415 -13.933 143 HA SER 20 HA SER 20 6.858 -25.165 -14.998 144 HB2 SER 20 HB2 SER 20 5.925 -26.192 -12.934 145 HB3 SER 20 HB3 SER 20 4.653 -26.931 -13.907 146 HG SER 20 HG SER 20 6.495 -28.307 -13.489 147 H MET 21 H MET 21 3.566 -25.199 -16.070 148 HA MET 21 HA MET 21 3.996 -27.117 -18.177 149 HB2 MET 21 HB2 MET 21 1.730 -25.519 -17.152 150 HB3 MET 21 HB3 MET 21 1.684 -25.888 -18.871 151 HG2 MET 21 HG2 MET 21 1.941 -28.281 -18.327 152 HG3 MET 21 HG3 MET 21 1.873 -27.869 -16.615 153 HE1 MET 21 HE1 MET 21 -0.301 -26.469 -15.600 154 HE2 MET 21 HE2 MET 21 -0.257 -25.378 -16.986 155 HE3 MET 21 HE3 MET 21 -1.761 -26.189 -16.550 156 H GLY 22 H GLY 22 4.067 -23.640 -17.811 157 HA2 GLY 22 HA2 GLY 22 5.687 -22.709 -19.572 158 HA3 GLY 22 HA3 GLY 22 4.509 -23.347 -20.710 159 H PHE 23 H PHE 23 4.139 -21.569 -17.649 160 HA PHE 23 HA PHE 23 2.920 -19.355 -19.129 161 HB2 PHE 23 HB2 PHE 23 1.628 -20.814 -16.817 162 HB3 PHE 23 HB3 PHE 23 1.071 -19.266 -17.443 163 HD1 PHE 23 HD1 PHE 23 1.334 -22.855 -18.090 164 HD2 PHE 23 HD2 PHE 23 -0.073 -19.116 -19.557 165 HE1 PHE 23 HE1 PHE 23 -0.047 -24.031 -19.753 166 HE2 PHE 23 HE2 PHE 23 -1.457 -20.285 -21.222 167 HZ PHE 23 HZ PHE 23 -1.444 -22.746 -21.322 168 H SER 24 H SER 24 2.310 -17.570 -17.395 169 HA SER 24 HA SER 24 4.316 -17.429 -15.278 170 HB2 SER 24 HB2 SER 24 5.082 -16.373 -17.574 171 HB3 SER 24 HB3 SER 24 4.054 -15.036 -17.057 172 HG SER 24 HG SER 24 6.321 -16.112 -15.745 173 H ASP 25 H ASP 25 4.004 -14.851 -14.481 174 HA ASP 25 HA ASP 25 1.114 -14.518 -14.051 175 HB2 ASP 25 HB2 ASP 25 1.416 -14.127 -11.712 176 HB3 ASP 25 HB3 ASP 25 2.243 -15.635 -12.093 177 H GLU 26 H GLU 26 2.905 -13.155 -15.869 178 HA GLU 26 HA GLU 26 3.877 -10.721 -15.005 179 HB2 GLU 26 HB2 GLU 26 2.505 -11.315 -17.633 180 HB3 GLU 26 HB3 GLU 26 3.533 -9.926 -17.313 181 HG2 GLU 26 HG2 GLU 26 4.901 -12.357 -16.632 182 HG3 GLU 26 HG3 GLU 26 4.298 -12.426 -18.287 183 H GLY 27 H GLY 27 2.901 -9.173 -13.886 184 HA2 GLY 27 HA2 GLY 27 1.379 -7.437 -13.547 185 HA3 GLY 27 HA3 GLY 27 0.348 -8.130 -14.790 186 H GLY 28 H GLY 28 -0.191 -10.618 -13.930 187 HA2 GLY 28 HA2 GLY 28 -0.722 -11.585 -11.615 188 HA3 GLY 28 HA3 GLY 28 -1.635 -10.096 -11.415 189 H TRP 29 H TRP 29 -1.330 -12.310 -14.181 190 HA TRP 29 HA TRP 29 -4.242 -12.348 -14.394 191 HB2 TRP 29 HB2 TRP 29 -3.953 -13.122 -16.618 192 HB3 TRP 29 HB3 TRP 29 -2.714 -11.894 -16.377 193 HD1 TRP 29 HD1 TRP 29 -0.161 -12.747 -16.194 194 HE1 TRP 29 HE1 TRP 29 0.972 -14.899 -17.036 195 HE3 TRP 29 HE3 TRP 29 -4.329 -15.594 -17.002 196 HZ2 TRP 29 HZ2 TRP 29 0.201 -17.464 -17.926 197 HZ3 TRP 29 HZ3 TRP 29 -4.045 -17.887 -17.851 198 HH2 TRP 29 HH2 TRP 29 -1.826 -18.800 -18.303 199 H LEU 30 H LEU 30 -1.653 -14.305 -13.312 200 HA LEU 30 HA LEU 30 -3.320 -16.722 -13.390 201 HB2 LEU 30 HB2 LEU 30 -0.916 -16.660 -14.279 202 HB3 LEU 30 HB3 LEU 30 -0.431 -16.606 -12.585 203 HG LEU 30 HG LEU 30 -1.588 -18.770 -12.232 204 HD11 LEU 30 HD11 LEU 30 -1.688 -19.335 -15.116 205 HD12 LEU 30 HD12 LEU 30 -2.927 -18.234 -14.514 206 HD13 LEU 30 HD13 LEU 30 -2.766 -19.845 -13.816 207 HD21 LEU 30 HD21 LEU 30 0.870 -18.263 -13.455 208 HD22 LEU 30 HD22 LEU 30 0.158 -19.592 -14.371 209 HD23 LEU 30 HD23 LEU 30 0.372 -19.739 -12.626 210 H THR 31 H THR 31 -2.866 -14.219 -11.405 211 HA THR 31 HA THR 31 -2.614 -15.728 -8.922 212 HB THR 31 HB THR 31 -1.382 -13.628 -9.063 213 HG1 THR 31 HG1 THR 31 -2.352 -14.302 -7.029 214 HG21 THR 31 HG21 THR 31 -3.573 -12.680 -10.438 215 HG22 THR 31 HG22 THR 31 -2.229 -11.705 -9.847 216 HG23 THR 31 HG23 THR 31 -3.697 -11.860 -8.882 217 H ARG 32 H ARG 32 -5.031 -14.330 -10.932 218 HA ARG 32 HA ARG 32 -7.045 -14.775 -8.826 219 HB2 ARG 32 HB2 ARG 32 -7.226 -12.872 -11.169 220 HB3 ARG 32 HB3 ARG 32 -8.436 -13.091 -9.912 221 HG2 ARG 32 HG2 ARG 32 -5.753 -12.399 -8.943 222 HG3 ARG 32 HG3 ARG 32 -6.553 -11.156 -9.908 223 HD2 ARG 32 HD2 ARG 32 -8.570 -11.968 -8.264 224 HD3 ARG 32 HD3 ARG 32 -7.163 -12.145 -7.216 225 HE ARG 32 HE ARG 32 -7.004 -9.649 -8.450 226 HH11 ARG 32 HH11 ARG 32 -9.028 -11.334 -6.172 227 HH12 ARG 32 HH12 ARG 32 -9.502 -9.895 -5.331 228 HH21 ARG 32 HH21 ARG 32 -7.621 -7.748 -7.350 229 HH22 ARG 32 HH22 ARG 32 -8.702 -7.856 -6.002 230 H LEU 33 H LEU 33 -6.053 -15.408 -12.090 231 HA LEU 33 HA LEU 33 -8.368 -16.333 -13.269 232 HB2 LEU 33 HB2 LEU 33 -6.519 -16.222 -14.661 233 HB3 LEU 33 HB3 LEU 33 -5.492 -17.103 -13.532 234 HG LEU 33 HG LEU 33 -6.600 -19.186 -14.111 235 HD11 LEU 33 HD11 LEU 33 -8.830 -18.278 -14.555 236 HD12 LEU 33 HD12 LEU 33 -8.262 -19.293 -15.880 237 HD13 LEU 33 HD13 LEU 33 -8.230 -17.537 -16.038 238 HD21 LEU 33 HD21 LEU 33 -6.063 -19.071 -16.675 239 HD22 LEU 33 HD22 LEU 33 -4.775 -18.933 -15.479 240 HD23 LEU 33 HD23 LEU 33 -5.417 -17.485 -16.255 241 H LEU 34 H LEU 34 -6.026 -18.239 -11.375 242 HA LEU 34 HA LEU 34 -7.403 -20.666 -11.453 243 HB2 LEU 34 HB2 LEU 34 -5.474 -19.486 -9.479 244 HB3 LEU 34 HB3 LEU 34 -6.160 -21.094 -9.254 245 HG LEU 34 HG LEU 34 -3.997 -21.353 -10.212 246 HD11 LEU 34 HD11 LEU 34 -5.823 -22.787 -11.090 247 HD12 LEU 34 HD12 LEU 34 -4.489 -22.563 -12.221 248 HD13 LEU 34 HD13 LEU 34 -5.994 -21.671 -12.446 249 HD21 LEU 34 HD21 LEU 34 -4.637 -19.828 -12.674 250 HD22 LEU 34 HD22 LEU 34 -3.088 -20.094 -11.873 251 HD23 LEU 34 HD23 LEU 34 -4.223 -18.908 -11.227 252 H GLN 35 H GLN 35 -7.550 -18.038 -9.069 253 HA GLN 35 HA GLN 35 -9.244 -19.174 -7.213 254 HB2 GLN 35 HB2 GLN 35 -9.183 -16.299 -8.146 255 HB3 GLN 35 HB3 GLN 35 -9.948 -16.864 -6.667 256 HG2 GLN 35 HG2 GLN 35 -7.665 -17.754 -6.006 257 HG3 GLN 35 HG3 GLN 35 -7.028 -16.797 -7.342 258 HE21 GLN 35 HE21 GLN 35 -8.793 -16.635 -4.311 259 HE22 GLN 35 HE22 GLN 35 -8.389 -14.995 -3.947 260 H THR 36 H THR 36 -10.088 -17.494 -10.215 261 HA THR 36 HA THR 36 -12.897 -17.651 -9.841 262 HB THR 36 HB THR 36 -12.571 -17.518 -12.571 263 HG1 THR 36 HG1 THR 36 -10.765 -15.945 -12.690 264 HG21 THR 36 HG21 THR 36 -13.947 -15.926 -11.623 265 HG22 THR 36 HG22 THR 36 -12.544 -14.948 -12.052 266 HG23 THR 36 HG23 THR 36 -12.768 -15.488 -10.387 267 H LYS 37 H LYS 37 -10.515 -19.867 -11.017 268 HA LYS 37 HA LYS 37 -12.573 -21.639 -12.119 269 HB2 LYS 37 HB2 LYS 37 -9.616 -21.406 -12.437 270 HB3 LYS 37 HB3 LYS 37 -10.350 -22.990 -12.650 271 HG2 LYS 37 HG2 LYS 37 -10.076 -21.768 -14.765 272 HG3 LYS 37 HG3 LYS 37 -11.762 -22.150 -14.412 273 HD2 LYS 37 HD2 LYS 37 -12.278 -19.939 -13.883 274 HD3 LYS 37 HD3 LYS 37 -10.587 -19.508 -13.619 275 HE2 LYS 37 HE2 LYS 37 -10.181 -19.827 -16.044 276 HE3 LYS 37 HE3 LYS 37 -11.905 -20.123 -16.262 277 HZ1 LYS 37 HZ1 LYS 37 -12.287 -17.878 -15.292 278 HZ2 LYS 37 HZ2 LYS 37 -11.481 -17.861 -16.780 279 HZ3 LYS 37 HZ3 LYS 37 -10.617 -17.613 -15.347 280 H ASN 38 H ASN 38 -11.533 -21.034 -9.180 281 HA ASN 38 HA ASN 38 -11.499 -22.179 -7.215 282 HB2 ASN 38 HB2 ASN 38 -13.479 -23.347 -8.568 283 HB3 ASN 38 HB3 ASN 38 -12.382 -24.723 -8.491 284 HD21 ASN 38 HD21 ASN 38 -13.256 -26.013 -7.018 285 HD22 ASN 38 HD22 ASN 38 -13.672 -25.553 -5.406 286 H TYR 39 H TYR 39 -9.102 -21.994 -8.462 287 HA TYR 39 HA TYR 39 -7.013 -22.889 -8.627 288 HB2 TYR 39 HB2 TYR 39 -7.879 -24.878 -6.539 289 HB3 TYR 39 HB3 TYR 39 -6.288 -24.166 -6.776 290 HD1 TYR 39 HD1 TYR 39 -6.644 -21.359 -6.831 291 HD2 TYR 39 HD2 TYR 39 -8.787 -24.224 -4.527 292 HE1 TYR 39 HE1 TYR 39 -7.171 -19.622 -5.171 293 HE2 TYR 39 HE2 TYR 39 -9.321 -22.494 -2.862 294 HH TYR 39 HH TYR 39 -7.860 -19.922 -2.348 295 H ASP 40 H ASP 40 -8.302 -23.741 -10.710 296 HA ASP 40 HA ASP 40 -7.974 -26.665 -10.816 297 HB2 ASP 40 HB2 ASP 40 -9.936 -24.824 -11.967 298 HB3 ASP 40 HB3 ASP 40 -9.267 -25.948 -13.148 299 H ILE 41 H ILE 41 -6.888 -27.605 -12.585 300 HA ILE 41 HA ILE 41 -4.913 -25.813 -13.813 301 HB ILE 41 HB ILE 41 -4.746 -28.809 -13.866 302 HG12 ILE 41 HG12 ILE 41 -5.073 -28.241 -11.526 303 HG13 ILE 41 HG13 ILE 41 -3.390 -28.681 -11.792 304 HG21 ILE 41 HG21 ILE 41 -3.209 -26.814 -14.974 305 HG22 ILE 41 HG22 ILE 41 -2.322 -27.239 -13.511 306 HG23 ILE 41 HG23 ILE 41 -2.702 -28.481 -14.703 307 HD11 ILE 41 HD11 ILE 41 -4.426 -25.862 -11.629 308 HD12 ILE 41 HD12 ILE 41 -3.659 -26.743 -10.308 309 HD13 ILE 41 HD13 ILE 41 -2.741 -26.362 -11.765 310 H GLY 42 H GLY 42 -7.474 -28.067 -14.540 311 HA2 GLY 42 HA2 GLY 42 -6.849 -28.163 -17.368 312 HA3 GLY 42 HA3 GLY 42 -8.229 -28.910 -16.576 313 H ALA 43 H ALA 43 -8.654 -26.130 -15.290 314 HA ALA 43 HA ALA 43 -10.349 -25.146 -17.456 315 HB1 ALA 43 HB1 ALA 43 -11.546 -25.414 -15.447 316 HB2 ALA 43 HB2 ALA 43 -10.290 -24.618 -14.498 317 HB3 ALA 43 HB3 ALA 43 -11.284 -23.677 -15.610 318 H ALA 44 H ALA 44 -7.574 -24.231 -15.545 319 HA ALA 44 HA ALA 44 -7.575 -21.491 -16.447 320 HB1 ALA 44 HB1 ALA 44 -5.622 -21.207 -15.139 321 HB2 ALA 44 HB2 ALA 44 -6.687 -22.273 -14.221 322 HB3 ALA 44 HB3 ALA 44 -5.312 -22.943 -15.098 323 H LEU 45 H LEU 45 -6.478 -24.481 -17.657 324 HA LEU 45 HA LEU 45 -4.279 -23.476 -19.201 325 HB2 LEU 45 HB2 LEU 45 -5.751 -26.058 -19.004 326 HB3 LEU 45 HB3 LEU 45 -4.746 -25.761 -20.420 327 HG LEU 45 HG LEU 45 -3.711 -25.612 -17.594 328 HD11 LEU 45 HD11 LEU 45 -3.080 -27.823 -17.657 329 HD12 LEU 45 HD12 LEU 45 -3.177 -27.915 -19.415 330 HD13 LEU 45 HD13 LEU 45 -4.654 -27.888 -18.451 331 HD21 LEU 45 HD21 LEU 45 -2.646 -24.822 -20.072 332 HD22 LEU 45 HD22 LEU 45 -1.809 -26.306 -19.620 333 HD23 LEU 45 HD23 LEU 45 -1.814 -24.927 -18.520 334 H ASP 46 H ASP 46 -7.677 -23.550 -19.567 335 HA ASP 46 HA ASP 46 -7.437 -22.970 -22.444 336 HB2 ASP 46 HB2 ASP 46 -9.136 -24.737 -21.100 337 HB3 ASP 46 HB3 ASP 46 -10.157 -23.364 -21.518 338 H THR 47 H THR 47 -7.030 -21.139 -20.113 339 HA THR 47 HA THR 47 -9.156 -19.186 -20.706 340 HB THR 47 HB THR 47 -7.348 -19.021 -18.308 341 HG1 THR 47 HG1 THR 47 -9.805 -20.444 -18.560 342 HG21 THR 47 HG21 THR 47 -9.922 -17.779 -19.186 343 HG22 THR 47 HG22 THR 47 -8.485 -17.016 -18.508 344 HG23 THR 47 HG23 THR 47 -9.572 -17.934 -17.465 345 H ILE 48 H ILE 48 -6.401 -19.844 -21.966 346 HA ILE 48 HA ILE 48 -5.388 -17.076 -21.926 347 HB ILE 48 HB ILE 48 -3.599 -19.282 -22.803 348 HG12 ILE 48 HG12 ILE 48 -2.913 -19.255 -20.224 349 HG13 ILE 48 HG13 ILE 48 -4.629 -18.914 -20.031 350 HG21 ILE 48 HG21 ILE 48 -2.030 -17.741 -21.398 351 HG22 ILE 48 HG22 ILE 48 -2.571 -17.232 -22.996 352 HG23 ILE 48 HG23 ILE 48 -3.351 -16.583 -21.554 353 HD11 ILE 48 HD11 ILE 48 -5.102 -21.054 -20.278 354 HD12 ILE 48 HD12 ILE 48 -4.320 -21.074 -21.859 355 HD13 ILE 48 HD13 ILE 48 -3.378 -21.402 -20.404 356 H GLN 49 H GLN 49 -6.255 -19.854 -23.857 357 HA GLN 49 HA GLN 49 -5.276 -19.173 -26.341 358 HB2 GLN 49 HB2 GLN 49 -7.978 -20.392 -25.746 359 HB3 GLN 49 HB3 GLN 49 -7.130 -20.468 -27.285 360 HG2 GLN 49 HG2 GLN 49 -5.500 -21.440 -25.099 361 HG3 GLN 49 HG3 GLN 49 -7.020 -22.321 -25.241 362 HE21 GLN 49 HE21 GLN 49 -6.772 -24.099 -26.371 363 HE22 GLN 49 HE22 GLN 49 -5.788 -24.289 -27.778 364 H TYR 50 H TYR 50 -8.407 -18.215 -24.940 365 HA TYR 50 HA TYR 50 -8.351 -15.612 -25.979 366 HB2 TYR 50 HB2 TYR 50 -10.143 -15.846 -27.714 367 HB3 TYR 50 HB3 TYR 50 -8.608 -16.579 -28.165 368 HD1 TYR 50 HD1 TYR 50 -8.360 -19.051 -28.118 369 HD2 TYR 50 HD2 TYR 50 -12.117 -17.161 -27.474 370 HE1 TYR 50 HE1 TYR 50 -9.503 -21.184 -28.561 371 HE2 TYR 50 HE2 TYR 50 -13.270 -19.288 -27.914 372 HH TYR 50 HH TYR 50 -12.789 -21.419 -29.162 373 H SER 51 H SER 51 -10.480 -18.336 -25.199 374 HA SER 51 HA SER 51 -12.684 -16.826 -24.330 375 HB2 SER 51 HB2 SER 51 -12.015 -19.478 -23.095 376 HB3 SER 51 HB3 SER 51 -13.588 -18.834 -23.567 377 HG SER 51 HG SER 51 -12.135 -20.472 -24.945 378 H LYS 52 H LYS 52 -13.404 -17.404 -21.854 379 HA LYS 52 HA LYS 52 -11.214 -16.550 -20.090 380 HB2 LYS 52 HB2 LYS 52 -13.964 -15.325 -20.303 381 HB3 LYS 52 HB3 LYS 52 -12.910 -15.074 -18.918 382 HG2 LYS 52 HG2 LYS 52 -11.429 -14.526 -21.283 383 HG3 LYS 52 HG3 LYS 52 -12.968 -13.664 -21.365 384 HD2 LYS 52 HD2 LYS 52 -11.295 -13.600 -18.877 385 HD3 LYS 52 HD3 LYS 52 -10.958 -12.511 -20.225 386 HE2 LYS 52 HE2 LYS 52 -12.510 -11.145 -19.405 387 HE3 LYS 52 HE3 LYS 52 -13.717 -12.358 -19.830 388 HZ1 LYS 52 HZ1 LYS 52 -14.088 -12.757 -17.696 389 HZ2 LYS 52 HZ2 LYS 52 -13.078 -11.459 -17.302 390 HZ3 LYS 52 HZ3 LYS 52 -12.447 -13.026 -17.386 391 H HIS 53 H HIS 53 -14.695 -17.290 -19.821 392 HA HIS 53 HA HIS 53 -14.489 -18.529 -17.308 393 HB2 HIS 53 HB2 HIS 53 -16.585 -17.637 -18.478 394 HB3 HIS 53 HB3 HIS 53 -16.620 -19.172 -19.341 395 HD1 HIS 53 HD1 HIS 53 -17.353 -21.249 -18.033 396 HD2 HIS 53 HD2 HIS 53 -17.224 -17.790 -15.736 397 HE1 HIS 53 HE1 HIS 53 -18.522 -21.826 -15.883 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 4.639 0.013 -11.410 2 HA2 GLY 1 HA2 GLY 1 2.687 -0.146 -12.700 3 HA3 GLY 1 HA3 GLY 1 3.730 -1.309 -13.505 4 HA PRO 2 HA PRO 2 0.972 -4.588 -12.610 5 HB2 PRO 2 HB2 PRO 2 2.622 -6.631 -11.919 6 HB3 PRO 2 HB3 PRO 2 2.482 -6.027 -13.574 7 HG2 PRO 2 HG2 PRO 2 4.567 -5.430 -11.511 8 HG3 PRO 2 HG3 PRO 2 4.768 -5.767 -13.241 9 HD2 PRO 2 HD2 PRO 2 4.829 -3.256 -12.228 10 HD3 PRO 2 HD3 PRO 2 4.209 -3.616 -13.852 11 H LEU 3 H LEU 3 0.353 -6.265 -10.938 12 HA LEU 3 HA LEU 3 1.191 -5.574 -8.223 13 HB2 LEU 3 HB2 LEU 3 -0.844 -4.236 -8.900 14 HB3 LEU 3 HB3 LEU 3 -1.716 -5.765 -8.976 15 HG LEU 3 HG LEU 3 -1.031 -6.068 -6.527 16 HD11 LEU 3 HD11 LEU 3 0.215 -4.518 -5.554 17 HD12 LEU 3 HD12 LEU 3 -0.984 -3.284 -5.941 18 HD13 LEU 3 HD13 LEU 3 0.311 -3.643 -7.083 19 HD21 LEU 3 HD21 LEU 3 -3.028 -5.159 -5.845 20 HD22 LEU 3 HD22 LEU 3 -3.287 -5.272 -7.586 21 HD23 LEU 3 HD23 LEU 3 -2.849 -3.726 -6.859 22 H GLY 4 H GLY 4 2.068 -7.524 -7.751 23 HA2 GLY 4 HA2 GLY 4 0.555 -9.634 -6.862 24 HA3 GLY 4 HA3 GLY 4 0.874 -10.002 -8.550 25 H SER 5 H SER 5 2.614 -8.936 -5.628 26 HA SER 5 HA SER 5 4.966 -10.418 -6.548 27 HB2 SER 5 HB2 SER 5 4.577 -8.322 -4.410 28 HB3 SER 5 HB3 SER 5 6.075 -9.236 -4.580 29 HG SER 5 HG SER 5 6.526 -7.661 -5.918 30 H GLU 6 H GLU 6 2.522 -10.387 -4.065 31 HA GLU 6 HA GLU 6 3.859 -12.544 -2.609 32 HB2 GLU 6 HB2 GLU 6 1.735 -10.575 -1.971 33 HB3 GLU 6 HB3 GLU 6 1.603 -12.151 -1.202 34 HG2 GLU 6 HG2 GLU 6 3.405 -11.818 0.115 35 HG3 GLU 6 HG3 GLU 6 4.251 -10.855 -1.095 36 H ALA 7 H ALA 7 2.239 -14.255 -1.738 37 HA ALA 7 HA ALA 7 0.106 -14.957 -3.553 38 HB1 ALA 7 HB1 ALA 7 1.757 -15.889 -4.905 39 HB2 ALA 7 HB2 ALA 7 2.699 -16.459 -3.527 40 HB3 ALA 7 HB3 ALA 7 1.184 -17.257 -3.950 41 H ASP 8 H ASP 8 -0.465 -17.458 -2.937 42 HA ASP 8 HA ASP 8 -0.487 -17.583 0.006 43 HB2 ASP 8 HB2 ASP 8 -2.709 -17.376 -1.823 44 HB3 ASP 8 HB3 ASP 8 -2.803 -18.885 -0.918 45 HA PRO 9 HA PRO 9 0.866 -21.746 -0.249 46 HB2 PRO 9 HB2 PRO 9 -0.532 -22.938 1.750 47 HB3 PRO 9 HB3 PRO 9 0.796 -21.809 2.047 48 HG2 PRO 9 HG2 PRO 9 -2.156 -21.318 2.101 49 HG3 PRO 9 HG3 PRO 9 -0.907 -20.751 3.224 50 HD2 PRO 9 HD2 PRO 9 -1.938 -19.176 1.278 51 HD3 PRO 9 HD3 PRO 9 -0.258 -19.031 1.833 52 H ARG 10 H ARG 10 -2.638 -21.296 -0.147 53 HA ARG 10 HA ARG 10 -3.101 -23.899 -1.358 54 HB2 ARG 10 HB2 ARG 10 -5.085 -21.728 -0.657 55 HB3 ARG 10 HB3 ARG 10 -5.467 -23.386 -1.104 56 HG2 ARG 10 HG2 ARG 10 -3.893 -22.599 1.338 57 HG3 ARG 10 HG3 ARG 10 -5.623 -22.947 1.323 58 HD2 ARG 10 HD2 ARG 10 -4.596 -25.140 0.066 59 HD3 ARG 10 HD3 ARG 10 -3.329 -24.767 1.233 60 HE ARG 10 HE ARG 10 -4.703 -25.547 2.872 61 HH11 ARG 10 HH11 ARG 10 -6.654 -24.651 0.132 62 HH12 ARG 10 HH12 ARG 10 -8.132 -25.223 0.832 63 HH21 ARG 10 HH21 ARG 10 -6.642 -26.304 3.805 64 HH22 ARG 10 HH22 ARG 10 -8.124 -26.162 2.922 65 H LEU 11 H LEU 11 -1.921 -21.246 -2.602 66 HA LEU 11 HA LEU 11 -3.542 -21.376 -5.059 67 HB2 LEU 11 HB2 LEU 11 -3.759 -19.200 -4.137 68 HB3 LEU 11 HB3 LEU 11 -2.027 -19.085 -3.835 69 HG LEU 11 HG LEU 11 -1.724 -19.120 -6.351 70 HD11 LEU 11 HD11 LEU 11 -3.578 -19.749 -7.452 71 HD12 LEU 11 HD12 LEU 11 -4.021 -18.049 -7.297 72 HD13 LEU 11 HD13 LEU 11 -4.653 -19.233 -6.153 73 HD21 LEU 11 HD21 LEU 11 -2.303 -17.042 -4.564 74 HD22 LEU 11 HD22 LEU 11 -3.209 -16.684 -6.033 75 HD23 LEU 11 HD23 LEU 11 -1.464 -16.929 -6.112 76 H ILE 12 H ILE 12 -0.256 -20.867 -3.807 77 HA ILE 12 HA ILE 12 1.144 -20.927 -6.196 78 HB ILE 12 HB ILE 12 3.087 -21.695 -4.904 79 HG12 ILE 12 HG12 ILE 12 2.213 -21.722 -2.269 80 HG13 ILE 12 HG13 ILE 12 0.986 -22.653 -3.122 81 HG21 ILE 12 HG21 ILE 12 2.639 -19.893 -2.946 82 HG22 ILE 12 HG22 ILE 12 3.048 -19.463 -4.606 83 HG23 ILE 12 HG23 ILE 12 1.364 -19.455 -4.083 84 HD11 ILE 12 HD11 ILE 12 3.593 -23.453 -3.991 85 HD12 ILE 12 HD12 ILE 12 3.490 -23.520 -2.231 86 HD13 ILE 12 HD13 ILE 12 2.326 -24.406 -3.218 87 H GLU 13 H GLU 13 -0.291 -23.543 -4.391 88 HA GLU 13 HA GLU 13 1.066 -25.736 -5.391 89 HB2 GLU 13 HB2 GLU 13 -1.169 -26.940 -5.099 90 HB3 GLU 13 HB3 GLU 13 -0.495 -26.148 -3.681 91 HG2 GLU 13 HG2 GLU 13 -2.078 -24.471 -3.697 92 HG3 GLU 13 HG3 GLU 13 -2.448 -24.696 -5.406 93 H SER 14 H SER 14 -1.496 -23.832 -6.872 94 HA SER 14 HA SER 14 -1.766 -25.586 -9.137 95 HB2 SER 14 HB2 SER 14 -2.842 -22.824 -8.544 96 HB3 SER 14 HB3 SER 14 -3.178 -23.689 -10.043 97 HG SER 14 HG SER 14 -3.798 -24.581 -7.419 98 H LEU 15 H LEU 15 -0.441 -22.321 -8.628 99 HA LEU 15 HA LEU 15 0.429 -21.752 -11.170 100 HB2 LEU 15 HB2 LEU 15 1.657 -21.104 -8.503 101 HB3 LEU 15 HB3 LEU 15 2.284 -20.460 -10.019 102 HG LEU 15 HG LEU 15 -0.564 -19.981 -9.732 103 HD11 LEU 15 HD11 LEU 15 -0.190 -19.898 -7.383 104 HD12 LEU 15 HD12 LEU 15 -0.269 -18.234 -7.963 105 HD13 LEU 15 HD13 LEU 15 1.292 -18.964 -7.590 106 HD21 LEU 15 HD21 LEU 15 1.484 -18.905 -11.118 107 HD22 LEU 15 HD22 LEU 15 1.379 -17.768 -9.774 108 HD23 LEU 15 HD23 LEU 15 -0.032 -18.064 -10.790 109 H SER 16 H SER 16 2.055 -23.696 -8.702 110 HA SER 16 HA SER 16 4.506 -24.088 -9.909 111 HB2 SER 16 HB2 SER 16 3.403 -25.003 -7.643 112 HB3 SER 16 HB3 SER 16 3.259 -26.463 -8.622 113 HG SER 16 HG SER 16 5.254 -26.726 -7.968 114 H GLN 17 H GLN 17 1.414 -25.543 -10.658 115 HA GLN 17 HA GLN 17 2.548 -27.486 -12.469 116 HB2 GLN 17 HB2 GLN 17 -0.358 -26.721 -12.304 117 HB3 GLN 17 HB3 GLN 17 0.340 -28.254 -12.809 118 HG2 GLN 17 HG2 GLN 17 1.217 -27.836 -10.182 119 HG3 GLN 17 HG3 GLN 17 -0.492 -27.403 -10.205 120 HE21 GLN 17 HE21 GLN 17 -1.429 -29.149 -12.119 121 HE22 GLN 17 HE22 GLN 17 -1.292 -30.767 -11.532 122 H MET 18 H MET 18 0.864 -24.394 -12.689 123 HA MET 18 HA MET 18 0.545 -24.375 -15.494 124 HB2 MET 18 HB2 MET 18 0.835 -21.976 -13.681 125 HB3 MET 18 HB3 MET 18 0.065 -22.020 -15.262 126 HG2 MET 18 HG2 MET 18 -1.096 -23.936 -13.426 127 HG3 MET 18 HG3 MET 18 -1.176 -22.286 -12.814 128 HE1 MET 18 HE1 MET 18 -2.690 -23.236 -17.058 129 HE2 MET 18 HE2 MET 18 -1.001 -23.075 -16.576 130 HE3 MET 18 HE3 MET 18 -1.930 -24.486 -16.071 131 H LEU 19 H LEU 19 2.987 -22.822 -13.414 132 HA LEU 19 HA LEU 19 4.534 -21.718 -15.461 133 HB2 LEU 19 HB2 LEU 19 5.578 -22.742 -12.830 134 HB3 LEU 19 HB3 LEU 19 6.275 -21.476 -13.838 135 HG LEU 19 HG LEU 19 3.542 -21.122 -12.674 136 HD11 LEU 19 HD11 LEU 19 4.726 -21.697 -10.725 137 HD12 LEU 19 HD12 LEU 19 4.724 -19.934 -10.770 138 HD13 LEU 19 HD13 LEU 19 6.169 -20.826 -11.246 139 HD21 LEU 19 HD21 LEU 19 5.588 -19.498 -14.000 140 HD22 LEU 19 HD22 LEU 19 4.869 -18.747 -12.576 141 HD23 LEU 19 HD23 LEU 19 3.841 -19.274 -13.908 142 H SER 20 H SER 20 4.538 -24.931 -14.042 143 HA SER 20 HA SER 20 6.922 -25.776 -15.402 144 HB2 SER 20 HB2 SER 20 6.104 -26.743 -13.223 145 HB3 SER 20 HB3 SER 20 4.809 -27.526 -14.129 146 HG SER 20 HG SER 20 7.601 -27.904 -14.482 147 H MET 21 H MET 21 3.519 -25.741 -16.080 148 HA MET 21 HA MET 21 3.646 -27.665 -18.213 149 HB2 MET 21 HB2 MET 21 1.578 -26.030 -16.913 150 HB3 MET 21 HB3 MET 21 1.326 -26.278 -18.636 151 HG2 MET 21 HG2 MET 21 1.487 -28.701 -18.298 152 HG3 MET 21 HG3 MET 21 1.694 -28.433 -16.569 153 HE1 MET 21 HE1 MET 21 -0.480 -25.813 -16.414 154 HE2 MET 21 HE2 MET 21 -1.753 -26.765 -15.649 155 HE3 MET 21 HE3 MET 21 -0.071 -26.999 -15.174 156 H GLY 22 H GLY 22 3.983 -24.214 -17.886 157 HA2 GLY 22 HA2 GLY 22 5.394 -23.315 -19.791 158 HA3 GLY 22 HA3 GLY 22 4.131 -23.968 -20.824 159 H PHE 23 H PHE 23 4.020 -22.109 -17.790 160 HA PHE 23 HA PHE 23 2.720 -19.913 -19.219 161 HB2 PHE 23 HB2 PHE 23 1.544 -21.335 -16.824 162 HB3 PHE 23 HB3 PHE 23 0.972 -19.783 -17.428 163 HD1 PHE 23 HD1 PHE 23 -0.231 -19.632 -19.530 164 HD2 PHE 23 HD2 PHE 23 1.093 -23.380 -18.008 165 HE1 PHE 23 HE1 PHE 23 -1.722 -20.794 -21.104 166 HE2 PHE 23 HE2 PHE 23 -0.395 -24.548 -19.581 167 HZ PHE 23 HZ PHE 23 -1.807 -23.255 -21.130 168 H SER 24 H SER 24 2.194 -18.131 -17.419 169 HA SER 24 HA SER 24 4.269 -17.984 -15.393 170 HB2 SER 24 HB2 SER 24 4.224 -15.538 -17.012 171 HB3 SER 24 HB3 SER 24 5.596 -16.431 -16.356 172 HG SER 24 HG SER 24 5.831 -17.388 -18.210 173 H ASP 25 H ASP 25 4.108 -15.358 -14.706 174 HA ASP 25 HA ASP 25 1.242 -14.885 -14.228 175 HB2 ASP 25 HB2 ASP 25 1.673 -14.296 -11.935 176 HB3 ASP 25 HB3 ASP 25 2.372 -15.886 -12.230 177 H GLU 26 H GLU 26 3.202 -13.731 -16.137 178 HA GLU 26 HA GLU 26 4.111 -11.217 -15.409 179 HB2 GLU 26 HB2 GLU 26 2.974 -11.957 -18.108 180 HB3 GLU 26 HB3 GLU 26 4.125 -10.673 -17.767 181 HG2 GLU 26 HG2 GLU 26 5.186 -13.120 -16.782 182 HG3 GLU 26 HG3 GLU 26 4.640 -13.366 -18.440 183 H GLY 27 H GLY 27 3.022 -9.584 -14.543 184 HA2 GLY 27 HA2 GLY 27 1.480 -7.804 -14.657 185 HA3 GLY 27 HA3 GLY 27 0.502 -8.753 -15.767 186 H GLY 28 H GLY 28 0.433 -11.136 -14.160 187 HA2 GLY 28 HA2 GLY 28 -0.299 -11.722 -11.901 188 HA3 GLY 28 HA3 GLY 28 -1.139 -10.180 -11.849 189 H TRP 29 H TRP 29 -1.063 -12.632 -14.413 190 HA TRP 29 HA TRP 29 -3.986 -12.630 -14.407 191 HB2 TRP 29 HB2 TRP 29 -3.880 -13.526 -16.601 192 HB3 TRP 29 HB3 TRP 29 -2.616 -12.301 -16.525 193 HD1 TRP 29 HD1 TRP 29 -0.063 -13.175 -16.495 194 HE1 TRP 29 HE1 TRP 29 0.982 -15.383 -17.306 195 HE3 TRP 29 HE3 TRP 29 -4.305 -16.009 -16.821 196 HZ2 TRP 29 HZ2 TRP 29 0.122 -17.982 -17.993 197 HZ3 TRP 29 HZ3 TRP 29 -4.107 -18.347 -17.564 198 HH2 TRP 29 HH2 TRP 29 -1.939 -19.311 -18.138 199 H LEU 30 H LEU 30 -1.335 -14.556 -13.425 200 HA LEU 30 HA LEU 30 -3.020 -16.955 -13.243 201 HB2 LEU 30 HB2 LEU 30 -0.689 -16.966 -14.314 202 HB3 LEU 30 HB3 LEU 30 -0.077 -16.829 -12.667 203 HG LEU 30 HG LEU 30 -1.215 -18.959 -12.112 204 HD11 LEU 30 HD11 LEU 30 -1.549 -19.698 -14.932 205 HD12 LEU 30 HD12 LEU 30 -2.713 -18.519 -14.328 206 HD13 LEU 30 HD13 LEU 30 -2.544 -20.082 -13.528 207 HD21 LEU 30 HD21 LEU 30 0.349 -19.904 -14.342 208 HD22 LEU 30 HD22 LEU 30 0.696 -19.974 -12.614 209 HD23 LEU 30 HD23 LEU 30 1.142 -18.544 -13.545 210 H THR 31 H THR 31 -2.396 -14.354 -11.438 211 HA THR 31 HA THR 31 -1.965 -15.729 -8.902 212 HB THR 31 HB THR 31 -0.733 -13.659 -9.235 213 HG1 THR 31 HG1 THR 31 -1.030 -13.377 -7.168 214 HG21 THR 31 HG21 THR 31 -2.975 -11.824 -9.013 215 HG22 THR 31 HG22 THR 31 -3.031 -12.766 -10.502 216 HG23 THR 31 HG23 THR 31 -1.605 -11.800 -10.123 217 H ARG 32 H ARG 32 -4.523 -14.430 -10.798 218 HA ARG 32 HA ARG 32 -6.371 -14.740 -8.523 219 HB2 ARG 32 HB2 ARG 32 -6.720 -12.960 -10.943 220 HB3 ARG 32 HB3 ARG 32 -7.834 -13.103 -9.589 221 HG2 ARG 32 HG2 ARG 32 -5.083 -12.385 -8.859 222 HG3 ARG 32 HG3 ARG 32 -5.944 -11.187 -9.827 223 HD2 ARG 32 HD2 ARG 32 -7.674 -12.207 -7.783 224 HD3 ARG 32 HD3 ARG 32 -6.161 -11.663 -7.061 225 HE ARG 32 HE ARG 32 -6.905 -9.651 -8.768 226 HH11 ARG 32 HH11 ARG 32 -8.341 -11.271 -6.042 227 HH12 ARG 32 HH12 ARG 32 -9.253 -9.888 -5.534 228 HH21 ARG 32 HH21 ARG 32 -8.100 -7.823 -8.109 229 HH22 ARG 32 HH22 ARG 32 -9.116 -7.928 -6.711 230 H LEU 33 H LEU 33 -5.636 -15.550 -11.815 231 HA LEU 33 HA LEU 33 -8.037 -16.514 -12.767 232 HB2 LEU 33 HB2 LEU 33 -6.290 -16.496 -14.293 233 HB3 LEU 33 HB3 LEU 33 -5.195 -17.337 -13.197 234 HG LEU 33 HG LEU 33 -6.385 -19.426 -13.585 235 HD11 LEU 33 HD11 LEU 33 -8.141 -17.740 -15.357 236 HD12 LEU 33 HD12 LEU 33 -8.619 -18.669 -13.936 237 HD13 LEU 33 HD13 LEU 33 -8.098 -19.503 -15.400 238 HD21 LEU 33 HD21 LEU 33 -5.283 -17.868 -15.872 239 HD22 LEU 33 HD22 LEU 33 -6.003 -19.448 -16.184 240 HD23 LEU 33 HD23 LEU 33 -4.644 -19.303 -15.069 241 H LEU 34 H LEU 34 -5.588 -18.312 -10.908 242 HA LEU 34 HA LEU 34 -6.995 -20.731 -10.762 243 HB2 LEU 34 HB2 LEU 34 -4.893 -19.490 -9.013 244 HB3 LEU 34 HB3 LEU 34 -5.572 -21.079 -8.669 245 HG LEU 34 HG LEU 34 -3.502 -21.410 -9.787 246 HD11 LEU 34 HD11 LEU 34 -4.156 -22.799 -11.539 247 HD12 LEU 34 HD12 LEU 34 -5.511 -21.761 -11.983 248 HD13 LEU 34 HD13 LEU 34 -5.585 -22.723 -10.507 249 HD21 LEU 34 HD21 LEU 34 -3.780 -18.995 -10.868 250 HD22 LEU 34 HD22 LEU 34 -4.302 -19.964 -12.247 251 HD23 LEU 34 HD23 LEU 34 -2.703 -20.216 -11.546 252 H GLN 35 H GLN 35 -6.885 -17.986 -8.510 253 HA GLN 35 HA GLN 35 -8.464 -19.013 -6.481 254 HB2 GLN 35 HB2 GLN 35 -8.183 -16.188 -7.503 255 HB3 GLN 35 HB3 GLN 35 -9.087 -16.594 -6.050 256 HG2 GLN 35 HG2 GLN 35 -7.120 -17.422 -4.977 257 HG3 GLN 35 HG3 GLN 35 -6.184 -17.259 -6.462 258 HE21 GLN 35 HE21 GLN 35 -5.191 -16.118 -4.267 259 HE22 GLN 35 HE22 GLN 35 -5.349 -14.399 -4.330 260 H THR 36 H THR 36 -9.412 -17.573 -9.546 261 HA THR 36 HA THR 36 -12.207 -17.491 -8.932 262 HB THR 36 HB THR 36 -12.044 -17.496 -11.693 263 HG1 THR 36 HG1 THR 36 -10.201 -15.879 -11.854 264 HG21 THR 36 HG21 THR 36 -11.944 -14.911 -11.285 265 HG22 THR 36 HG22 THR 36 -12.085 -15.373 -9.589 266 HG23 THR 36 HG23 THR 36 -13.340 -15.840 -10.737 267 H LYS 37 H LYS 37 -10.037 -19.918 -9.991 268 HA LYS 37 HA LYS 37 -12.261 -21.620 -10.892 269 HB2 LYS 37 HB2 LYS 37 -9.286 -21.972 -11.308 270 HB3 LYS 37 HB3 LYS 37 -10.541 -23.033 -11.935 271 HG2 LYS 37 HG2 LYS 37 -10.068 -20.156 -12.683 272 HG3 LYS 37 HG3 LYS 37 -9.776 -21.580 -13.685 273 HD2 LYS 37 HD2 LYS 37 -12.320 -22.031 -13.246 274 HD3 LYS 37 HD3 LYS 37 -12.358 -20.300 -12.902 275 HE2 LYS 37 HE2 LYS 37 -12.174 -19.765 -15.065 276 HE3 LYS 37 HE3 LYS 37 -10.887 -20.940 -15.331 277 HZ1 LYS 37 HZ1 LYS 37 -12.447 -22.643 -15.703 278 HZ2 LYS 37 HZ2 LYS 37 -13.009 -21.319 -16.594 279 HZ3 LYS 37 HZ3 LYS 37 -13.737 -21.716 -15.120 280 H ASN 38 H ASN 38 -11.037 -20.937 -8.096 281 HA ASN 38 HA ASN 38 -10.833 -22.002 -6.097 282 HB2 ASN 38 HB2 ASN 38 -12.957 -23.100 -6.941 283 HB3 ASN 38 HB3 ASN 38 -11.955 -24.450 -7.463 284 HD21 ASN 38 HD21 ASN 38 -11.888 -26.065 -6.096 285 HD22 ASN 38 HD22 ASN 38 -12.047 -25.961 -4.379 286 H TYR 39 H TYR 39 -8.569 -21.920 -7.698 287 HA TYR 39 HA TYR 39 -6.483 -22.799 -7.915 288 HB2 TYR 39 HB2 TYR 39 -7.204 -24.722 -5.709 289 HB3 TYR 39 HB3 TYR 39 -5.624 -24.052 -6.097 290 HD1 TYR 39 HD1 TYR 39 -5.921 -21.243 -6.208 291 HD2 TYR 39 HD2 TYR 39 -7.937 -23.985 -3.655 292 HE1 TYR 39 HE1 TYR 39 -6.277 -19.445 -4.569 293 HE2 TYR 39 HE2 TYR 39 -8.301 -22.194 -2.009 294 HH TYR 39 HH TYR 39 -8.453 -19.544 -2.176 295 H ASP 40 H ASP 40 -7.996 -23.713 -9.848 296 HA ASP 40 HA ASP 40 -7.678 -26.636 -9.908 297 HB2 ASP 40 HB2 ASP 40 -9.677 -24.791 -10.987 298 HB3 ASP 40 HB3 ASP 40 -9.104 -25.961 -12.173 299 H ILE 41 H ILE 41 -6.682 -27.645 -11.677 300 HA ILE 41 HA ILE 41 -4.784 -25.916 -13.098 301 HB ILE 41 HB ILE 41 -4.626 -28.910 -13.069 302 HG12 ILE 41 HG12 ILE 41 -4.843 -28.320 -10.732 303 HG13 ILE 41 HG13 ILE 41 -3.160 -28.718 -11.062 304 HG21 ILE 41 HG21 ILE 41 -3.093 -26.840 -14.178 305 HG22 ILE 41 HG22 ILE 41 -2.148 -27.485 -12.837 306 HG23 ILE 41 HG23 ILE 41 -2.703 -28.559 -14.122 307 HD11 ILE 41 HD11 ILE 41 -3.320 -26.789 -9.616 308 HD12 ILE 41 HD12 ILE 41 -2.630 -26.333 -11.173 309 HD13 ILE 41 HD13 ILE 41 -4.313 -25.952 -10.808 310 H GLY 42 H GLY 42 -7.368 -28.220 -13.584 311 HA2 GLY 42 HA2 GLY 42 -6.926 -28.401 -16.441 312 HA3 GLY 42 HA3 GLY 42 -8.248 -29.127 -15.538 313 H ALA 43 H ALA 43 -8.591 -26.292 -14.329 314 HA ALA 43 HA ALA 43 -10.468 -25.415 -16.382 315 HB1 ALA 43 HB1 ALA 43 -10.159 -24.156 -13.678 316 HB2 ALA 43 HB2 ALA 43 -11.584 -24.224 -14.716 317 HB3 ALA 43 HB3 ALA 43 -11.025 -25.678 -13.889 318 H ALA 44 H ALA 44 -7.549 -24.358 -14.756 319 HA ALA 44 HA ALA 44 -7.621 -21.699 -15.849 320 HB1 ALA 44 HB1 ALA 44 -6.479 -21.747 -13.848 321 HB2 ALA 44 HB2 ALA 44 -5.663 -23.265 -14.227 322 HB3 ALA 44 HB3 ALA 44 -5.156 -21.770 -15.014 323 H LEU 45 H LEU 45 -6.473 -24.785 -16.873 324 HA LEU 45 HA LEU 45 -4.476 -23.925 -18.689 325 HB2 LEU 45 HB2 LEU 45 -6.026 -26.422 -18.244 326 HB3 LEU 45 HB3 LEU 45 -5.185 -26.231 -19.781 327 HG LEU 45 HG LEU 45 -3.842 -26.064 -17.086 328 HD11 LEU 45 HD11 LEU 45 -3.456 -28.368 -18.918 329 HD12 LEU 45 HD12 LEU 45 -4.921 -28.322 -17.938 330 HD13 LEU 45 HD13 LEU 45 -3.339 -28.284 -17.160 331 HD21 LEU 45 HD21 LEU 45 -2.320 -26.736 -19.501 332 HD22 LEU 45 HD22 LEU 45 -1.923 -25.648 -18.171 333 HD23 LEU 45 HD23 LEU 45 -2.978 -25.099 -19.474 334 H ASP 46 H ASP 46 -7.913 -23.945 -18.809 335 HA ASP 46 HA ASP 46 -7.852 -23.388 -21.700 336 HB2 ASP 46 HB2 ASP 46 -9.473 -25.137 -20.232 337 HB3 ASP 46 HB3 ASP 46 -10.511 -23.768 -20.620 338 H THR 47 H THR 47 -7.231 -21.500 -19.529 339 HA THR 47 HA THR 47 -9.430 -19.576 -19.918 340 HB THR 47 HB THR 47 -7.369 -19.373 -17.732 341 HG1 THR 47 HG1 THR 47 -8.908 -21.373 -17.854 342 HG21 THR 47 HG21 THR 47 -8.440 -17.366 -17.702 343 HG22 THR 47 HG22 THR 47 -9.607 -18.279 -16.747 344 HG23 THR 47 HG23 THR 47 -9.894 -18.007 -18.466 345 H ILE 48 H ILE 48 -6.621 -20.305 -21.247 346 HA ILE 48 HA ILE 48 -5.687 -17.519 -21.445 347 HB ILE 48 HB ILE 48 -4.007 -19.743 -22.477 348 HG12 ILE 48 HG12 ILE 48 -3.065 -19.701 -19.980 349 HG13 ILE 48 HG13 ILE 48 -4.752 -19.354 -19.618 350 HG21 ILE 48 HG21 ILE 48 -2.346 -18.151 -21.146 351 HG22 ILE 48 HG22 ILE 48 -2.903 -17.779 -22.777 352 HG23 ILE 48 HG23 ILE 48 -3.666 -17.007 -21.388 353 HD11 ILE 48 HD11 ILE 48 -5.338 -21.468 -19.930 354 HD12 ILE 48 HD12 ILE 48 -4.481 -21.558 -21.468 355 HD13 ILE 48 HD13 ILE 48 -3.615 -21.843 -19.958 356 H GLN 49 H GLN 49 -6.801 -20.300 -23.229 357 HA GLN 49 HA GLN 49 -6.070 -19.691 -25.813 358 HB2 GLN 49 HB2 GLN 49 -8.742 -20.800 -24.934 359 HB3 GLN 49 HB3 GLN 49 -8.034 -20.951 -26.537 360 HG2 GLN 49 HG2 GLN 49 -6.842 -22.088 -24.018 361 HG3 GLN 49 HG3 GLN 49 -7.820 -22.992 -25.173 362 HE21 GLN 49 HE21 GLN 49 -6.851 -23.890 -26.873 363 HE22 GLN 49 HE22 GLN 49 -5.203 -23.642 -27.327 364 H TYR 50 H TYR 50 -8.916 -18.523 -24.036 365 HA TYR 50 HA TYR 50 -8.896 -16.022 -25.391 366 HB2 TYR 50 HB2 TYR 50 -10.923 -16.196 -26.665 367 HB3 TYR 50 HB3 TYR 50 -9.869 -17.518 -27.154 368 HD1 TYR 50 HD1 TYR 50 -12.918 -16.639 -25.287 369 HD2 TYR 50 HD2 TYR 50 -10.477 -19.803 -26.747 370 HE1 TYR 50 HE1 TYR 50 -14.720 -18.243 -24.807 371 HE2 TYR 50 HE2 TYR 50 -12.272 -21.416 -26.272 372 HH TYR 50 HH TYR 50 -14.228 -21.687 -25.057 373 H SER 51 H SER 51 -10.243 -14.512 -24.423 374 HA SER 51 HA SER 51 -12.398 -15.065 -22.728 375 HB2 SER 51 HB2 SER 51 -11.211 -14.468 -20.532 376 HB3 SER 51 HB3 SER 51 -10.966 -16.099 -21.157 377 HG SER 51 HG SER 51 -8.926 -15.662 -21.524 378 H LYS 52 H LYS 52 -12.718 -13.110 -21.122 379 HA LYS 52 HA LYS 52 -12.222 -10.698 -22.714 380 HB2 LYS 52 HB2 LYS 52 -14.255 -11.344 -20.579 381 HB3 LYS 52 HB3 LYS 52 -14.024 -9.721 -21.216 382 HG2 LYS 52 HG2 LYS 52 -14.327 -11.552 -23.388 383 HG3 LYS 52 HG3 LYS 52 -15.649 -11.772 -22.239 384 HD2 LYS 52 HD2 LYS 52 -15.579 -9.089 -22.340 385 HD3 LYS 52 HD3 LYS 52 -14.986 -9.460 -23.961 386 HE2 LYS 52 HE2 LYS 52 -17.518 -10.581 -22.767 387 HE3 LYS 52 HE3 LYS 52 -17.454 -9.173 -23.825 388 HZ1 LYS 52 HZ1 LYS 52 -16.381 -11.813 -24.628 389 HZ2 LYS 52 HZ2 LYS 52 -16.720 -10.482 -25.615 390 HZ3 LYS 52 HZ3 LYS 52 -17.985 -11.360 -24.916 391 H HIS 53 H HIS 53 -12.314 -11.675 -19.284 392 HA HIS 53 HA HIS 53 -11.203 -10.902 -17.453 393 HB2 HIS 53 HB2 HIS 53 -9.317 -11.761 -19.000 394 HB3 HIS 53 HB3 HIS 53 -8.972 -10.057 -19.286 395 HD1 HIS 53 HD1 HIS 53 -7.946 -8.712 -17.338 396 HD2 HIS 53 HD2 HIS 53 -8.633 -12.714 -16.455 397 HE1 HIS 53 HE1 HIS 53 -6.705 -9.151 -15.195 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -0.427 0.435 -3.657 2 HA2 GLY 1 HA2 GLY 1 0.572 2.779 -3.564 3 HA3 GLY 1 HA3 GLY 1 1.069 2.314 -1.943 4 HA PRO 2 HA PRO 2 4.774 0.519 -3.433 5 HB2 PRO 2 HB2 PRO 2 4.966 -1.823 -2.073 6 HB3 PRO 2 HB3 PRO 2 5.192 -0.245 -1.307 7 HG2 PRO 2 HG2 PRO 2 2.777 -2.013 -1.326 8 HG3 PRO 2 HG3 PRO 2 3.483 -1.098 0.019 9 HD2 PRO 2 HD2 PRO 2 1.320 -0.228 -1.357 10 HD3 PRO 2 HD3 PRO 2 2.514 0.882 -0.653 11 H LEU 3 H LEU 3 1.955 -1.588 -3.539 12 HA LEU 3 HA LEU 3 1.277 -3.183 -5.010 13 HB2 LEU 3 HB2 LEU 3 1.632 -1.342 -6.608 14 HB3 LEU 3 HB3 LEU 3 3.295 -1.879 -6.833 15 HG LEU 3 HG LEU 3 2.264 -4.093 -7.629 16 HD11 LEU 3 HD11 LEU 3 -0.019 -3.452 -8.777 17 HD12 LEU 3 HD12 LEU 3 -0.128 -2.342 -7.411 18 HD13 LEU 3 HD13 LEU 3 0.037 -4.075 -7.127 19 HD21 LEU 3 HD21 LEU 3 3.399 -2.652 -9.155 20 HD22 LEU 3 HD22 LEU 3 2.038 -1.530 -9.196 21 HD23 LEU 3 HD23 LEU 3 1.879 -3.136 -9.907 22 H GLY 4 H GLY 4 2.042 -4.974 -3.900 23 HA2 GLY 4 HA2 GLY 4 4.691 -5.978 -4.726 24 HA3 GLY 4 HA3 GLY 4 3.882 -6.407 -3.227 25 H SER 5 H SER 5 4.894 -7.854 -5.788 26 HA SER 5 HA SER 5 2.442 -9.222 -6.581 27 HB2 SER 5 HB2 SER 5 4.066 -10.454 -8.138 28 HB3 SER 5 HB3 SER 5 3.824 -8.733 -8.438 29 HG SER 5 HG SER 5 6.096 -9.864 -8.150 30 H GLU 6 H GLU 6 2.180 -10.117 -4.392 31 HA GLU 6 HA GLU 6 4.029 -12.284 -3.726 32 HB2 GLU 6 HB2 GLU 6 1.646 -11.375 -2.117 33 HB3 GLU 6 HB3 GLU 6 3.020 -12.324 -1.567 34 HG2 GLU 6 HG2 GLU 6 4.351 -10.170 -2.315 35 HG3 GLU 6 HG3 GLU 6 2.789 -9.404 -2.028 36 H ALA 7 H ALA 7 2.486 -14.080 -2.449 37 HA ALA 7 HA ALA 7 0.224 -14.832 -4.092 38 HB1 ALA 7 HB1 ALA 7 1.292 -17.135 -4.489 39 HB2 ALA 7 HB2 ALA 7 1.800 -15.793 -5.514 40 HB3 ALA 7 HB3 ALA 7 2.825 -16.319 -4.180 41 H ASP 8 H ASP 8 -0.288 -17.318 -3.370 42 HA ASP 8 HA ASP 8 -0.124 -17.359 -0.429 43 HB2 ASP 8 HB2 ASP 8 -2.460 -17.206 -2.116 44 HB3 ASP 8 HB3 ASP 8 -2.491 -18.690 -1.167 45 HA PRO 9 HA PRO 9 1.224 -21.525 -0.657 46 HB2 PRO 9 HB2 PRO 9 -0.038 -22.665 1.459 47 HB3 PRO 9 HB3 PRO 9 1.302 -21.526 1.639 48 HG2 PRO 9 HG2 PRO 9 -1.642 -21.038 1.869 49 HG3 PRO 9 HG3 PRO 9 -0.325 -20.439 2.894 50 HD2 PRO 9 HD2 PRO 9 -1.485 -18.920 0.976 51 HD3 PRO 9 HD3 PRO 9 0.226 -18.756 1.418 52 H ARG 10 H ARG 10 -2.262 -21.050 -0.389 53 HA ARG 10 HA ARG 10 -2.798 -23.697 -1.474 54 HB2 ARG 10 HB2 ARG 10 -4.772 -21.518 -0.782 55 HB3 ARG 10 HB3 ARG 10 -5.124 -23.218 -1.057 56 HG2 ARG 10 HG2 ARG 10 -3.432 -22.170 1.200 57 HG3 ARG 10 HG3 ARG 10 -5.145 -22.574 1.327 58 HD2 ARG 10 HD2 ARG 10 -3.908 -24.794 0.140 59 HD3 ARG 10 HD3 ARG 10 -2.848 -24.295 1.458 60 HE ARG 10 HE ARG 10 -5.475 -24.332 2.412 61 HH11 ARG 10 HH11 ARG 10 -3.043 -26.544 1.267 62 HH12 ARG 10 HH12 ARG 10 -3.615 -27.872 2.221 63 HH21 ARG 10 HH21 ARG 10 -6.238 -26.072 3.674 64 HH22 ARG 10 HH22 ARG 10 -5.433 -27.603 3.589 65 H LEU 11 H LEU 11 -1.663 -21.127 -2.885 66 HA LEU 11 HA LEU 11 -3.432 -21.320 -5.234 67 HB2 LEU 11 HB2 LEU 11 -3.596 -19.114 -4.362 68 HB3 LEU 11 HB3 LEU 11 -1.847 -18.989 -4.183 69 HG LEU 11 HG LEU 11 -1.711 -19.103 -6.708 70 HD11 LEU 11 HD11 LEU 11 -3.631 -19.801 -7.650 71 HD12 LEU 11 HD12 LEU 11 -4.063 -18.094 -7.558 72 HD13 LEU 11 HD13 LEU 11 -4.626 -19.213 -6.317 73 HD21 LEU 11 HD21 LEU 11 -1.290 -16.973 -6.128 74 HD22 LEU 11 HD22 LEU 11 -2.661 -16.895 -5.020 75 HD23 LEU 11 HD23 LEU 11 -2.912 -16.671 -6.752 76 H ILE 12 H ILE 12 -0.080 -20.706 -4.215 77 HA ILE 12 HA ILE 12 1.177 -20.870 -6.668 78 HB ILE 12 HB ILE 12 3.198 -21.581 -5.464 79 HG12 ILE 12 HG12 ILE 12 2.686 -21.585 -2.818 80 HG13 ILE 12 HG13 ILE 12 1.183 -22.289 -3.404 81 HG21 ILE 12 HG21 ILE 12 3.335 -19.398 -5.073 82 HG22 ILE 12 HG22 ILE 12 1.589 -19.269 -4.873 83 HG23 ILE 12 HG23 ILE 12 2.605 -19.693 -3.496 84 HD11 ILE 12 HD11 ILE 12 3.859 -23.433 -3.244 85 HD12 ILE 12 HD12 ILE 12 2.283 -24.223 -3.286 86 HD13 ILE 12 HD13 ILE 12 3.053 -23.709 -4.788 87 H GLU 13 H GLU 13 -0.138 -23.422 -4.691 88 HA GLU 13 HA GLU 13 1.177 -25.646 -5.680 89 HB2 GLU 13 HB2 GLU 13 -1.032 -26.847 -5.223 90 HB3 GLU 13 HB3 GLU 13 -0.288 -25.999 -3.874 91 HG2 GLU 13 HG2 GLU 13 -1.881 -24.333 -3.866 92 HG3 GLU 13 HG3 GLU 13 -2.338 -24.619 -5.544 93 H SER 14 H SER 14 -1.471 -23.807 -7.092 94 HA SER 14 HA SER 14 -1.843 -25.648 -9.275 95 HB2 SER 14 HB2 SER 14 -2.928 -22.885 -8.709 96 HB3 SER 14 HB3 SER 14 -3.325 -23.792 -10.168 97 HG SER 14 HG SER 14 -4.611 -23.939 -7.974 98 H LEU 15 H LEU 15 -0.524 -22.360 -8.939 99 HA LEU 15 HA LEU 15 0.194 -21.860 -11.544 100 HB2 LEU 15 HB2 LEU 15 1.552 -21.117 -8.968 101 HB3 LEU 15 HB3 LEU 15 2.103 -20.523 -10.533 102 HG LEU 15 HG LEU 15 -0.731 -20.045 -10.127 103 HD11 LEU 15 HD11 LEU 15 1.216 -18.923 -8.121 104 HD12 LEU 15 HD12 LEU 15 -0.221 -19.893 -7.798 105 HD13 LEU 15 HD13 LEU 15 -0.387 -18.254 -8.428 106 HD21 LEU 15 HD21 LEU 15 -0.259 -18.158 -11.268 107 HD22 LEU 15 HD22 LEU 15 1.237 -19.011 -11.648 108 HD23 LEU 15 HD23 LEU 15 1.204 -17.831 -10.338 109 H SER 16 H SER 16 1.982 -23.705 -9.112 110 HA SER 16 HA SER 16 4.360 -24.115 -10.456 111 HB2 SER 16 HB2 SER 16 2.857 -25.557 -8.354 112 HB3 SER 16 HB3 SER 16 4.066 -26.509 -9.216 113 HG SER 16 HG SER 16 4.492 -24.045 -7.870 114 H GLN 17 H GLN 17 1.241 -25.599 -10.972 115 HA GLN 17 HA GLN 17 2.278 -27.618 -12.759 116 HB2 GLN 17 HB2 GLN 17 -0.616 -26.850 -12.446 117 HB3 GLN 17 HB3 GLN 17 0.052 -28.397 -12.948 118 HG2 GLN 17 HG2 GLN 17 1.087 -27.884 -10.390 119 HG3 GLN 17 HG3 GLN 17 -0.628 -27.480 -10.329 120 HE21 GLN 17 HE21 GLN 17 -1.643 -29.301 -12.127 121 HE22 GLN 17 HE22 GLN 17 -1.441 -30.898 -11.501 122 H MET 18 H MET 18 0.566 -24.543 -13.008 123 HA MET 18 HA MET 18 0.098 -24.644 -15.793 124 HB2 MET 18 HB2 MET 18 0.457 -22.159 -14.115 125 HB3 MET 18 HB3 MET 18 -0.423 -22.301 -15.631 126 HG2 MET 18 HG2 MET 18 -1.426 -24.143 -13.645 127 HG3 MET 18 HG3 MET 18 -1.464 -22.478 -13.071 128 HE1 MET 18 HE1 MET 18 -1.833 -24.461 -16.245 129 HE2 MET 18 HE2 MET 18 -3.389 -23.995 -16.933 130 HE3 MET 18 HE3 MET 18 -1.992 -22.933 -17.114 131 H LEU 19 H LEU 19 2.640 -23.028 -13.893 132 HA LEU 19 HA LEU 19 4.062 -21.984 -16.073 133 HB2 LEU 19 HB2 LEU 19 5.254 -22.853 -13.450 134 HB3 LEU 19 HB3 LEU 19 5.864 -21.619 -14.551 135 HG LEU 19 HG LEU 19 3.184 -21.274 -13.268 136 HD11 LEU 19 HD11 LEU 19 4.042 -20.456 -11.284 137 HD12 LEU 19 HD12 LEU 19 5.665 -20.259 -11.945 138 HD13 LEU 19 HD13 LEU 19 5.053 -21.871 -11.577 139 HD21 LEU 19 HD21 LEU 19 5.160 -19.649 -14.719 140 HD22 LEU 19 HD22 LEU 19 4.410 -18.866 -13.328 141 HD23 LEU 19 HD23 LEU 19 3.404 -19.498 -14.632 142 H SER 20 H SER 20 4.061 -25.145 -14.593 143 HA SER 20 HA SER 20 6.429 -26.021 -16.003 144 HB2 SER 20 HB2 SER 20 5.767 -26.864 -13.718 145 HB3 SER 20 HB3 SER 20 4.438 -27.726 -14.494 146 HG SER 20 HG SER 20 7.036 -28.413 -14.318 147 H MET 21 H MET 21 3.012 -25.990 -16.502 148 HA MET 21 HA MET 21 3.025 -28.063 -18.510 149 HB2 MET 21 HB2 MET 21 1.010 -26.366 -17.188 150 HB3 MET 21 HB3 MET 21 0.652 -26.775 -18.861 151 HG2 MET 21 HG2 MET 21 0.922 -29.157 -18.309 152 HG3 MET 21 HG3 MET 21 1.198 -28.714 -16.627 153 HE1 MET 21 HE1 MET 21 -0.888 -26.167 -16.602 154 HE2 MET 21 HE2 MET 21 -2.295 -26.935 -15.864 155 HE3 MET 21 HE3 MET 21 -0.681 -27.255 -15.228 156 H GLY 22 H GLY 22 3.235 -24.576 -18.392 157 HA2 GLY 22 HA2 GLY 22 4.531 -23.788 -20.453 158 HA3 GLY 22 HA3 GLY 22 3.180 -24.481 -21.338 159 H PHE 23 H PHE 23 3.380 -22.460 -18.411 160 HA PHE 23 HA PHE 23 1.973 -20.321 -19.813 161 HB2 PHE 23 HB2 PHE 23 0.951 -21.620 -17.279 162 HB3 PHE 23 HB3 PHE 23 0.335 -20.110 -17.943 163 HD1 PHE 23 HD1 PHE 23 -1.000 -20.091 -19.967 164 HD2 PHE 23 HD2 PHE 23 0.442 -23.736 -18.308 165 HE1 PHE 23 HE1 PHE 23 -2.580 -21.351 -21.371 166 HE2 PHE 23 HE2 PHE 23 -1.134 -25.002 -19.710 167 HZ PHE 23 HZ PHE 23 -2.648 -23.810 -21.244 168 H SER 24 H SER 24 1.598 -18.460 -18.072 169 HA SER 24 HA SER 24 3.812 -18.271 -16.195 170 HB2 SER 24 HB2 SER 24 4.474 -17.437 -18.592 171 HB3 SER 24 HB3 SER 24 3.519 -16.020 -18.156 172 HG SER 24 HG SER 24 5.956 -16.264 -17.602 173 H ASP 25 H ASP 25 3.710 -15.632 -15.566 174 HA ASP 25 HA ASP 25 0.889 -15.144 -14.873 175 HB2 ASP 25 HB2 ASP 25 1.652 -14.303 -12.669 176 HB3 ASP 25 HB3 ASP 25 2.003 -16.013 -12.898 177 H GLU 26 H GLU 26 2.357 -14.034 -17.063 178 HA GLU 26 HA GLU 26 3.514 -11.564 -16.652 179 HB2 GLU 26 HB2 GLU 26 2.543 -10.996 -18.950 180 HB3 GLU 26 HB3 GLU 26 3.586 -12.407 -18.843 181 HG2 GLU 26 HG2 GLU 26 1.715 -13.885 -18.905 182 HG3 GLU 26 HG3 GLU 26 0.584 -12.540 -18.767 183 H GLY 27 H GLY 27 2.785 -9.863 -15.567 184 HA2 GLY 27 HA2 GLY 27 1.390 -8.059 -15.112 185 HA3 GLY 27 HA3 GLY 27 0.163 -8.784 -16.141 186 H GLY 28 H GLY 28 -0.442 -11.124 -15.067 187 HA2 GLY 28 HA2 GLY 28 -0.622 -11.878 -12.583 188 HA3 GLY 28 HA3 GLY 28 -1.500 -10.363 -12.435 189 H TRP 29 H TRP 29 -1.531 -12.846 -14.980 190 HA TRP 29 HA TRP 29 -4.449 -12.875 -14.825 191 HB2 TRP 29 HB2 TRP 29 -4.442 -13.839 -16.993 192 HB3 TRP 29 HB3 TRP 29 -3.189 -12.601 -17.018 193 HD1 TRP 29 HD1 TRP 29 -0.631 -13.445 -17.106 194 HE1 TRP 29 HE1 TRP 29 0.398 -15.670 -17.891 195 HE3 TRP 29 HE3 TRP 29 -4.846 -16.339 -17.090 196 HZ2 TRP 29 HZ2 TRP 29 -0.463 -18.303 -18.432 197 HZ3 TRP 29 HZ3 TRP 29 -4.657 -18.700 -17.755 198 HH2 TRP 29 HH2 TRP 29 -2.511 -19.660 -18.413 199 H LEU 30 H LEU 30 -1.730 -14.750 -13.927 200 HA LEU 30 HA LEU 30 -3.382 -17.153 -13.579 201 HB2 LEU 30 HB2 LEU 30 -1.111 -17.179 -14.773 202 HB3 LEU 30 HB3 LEU 30 -0.414 -16.992 -13.165 203 HG LEU 30 HG LEU 30 -1.502 -19.111 -12.491 204 HD11 LEU 30 HD11 LEU 30 -3.117 -18.741 -14.643 205 HD12 LEU 30 HD12 LEU 30 -2.910 -20.272 -13.793 206 HD13 LEU 30 HD13 LEU 30 -1.985 -19.946 -15.259 207 HD21 LEU 30 HD21 LEU 30 -0.057 -20.106 -14.780 208 HD22 LEU 30 HD22 LEU 30 0.382 -20.136 -13.072 209 HD23 LEU 30 HD23 LEU 30 0.769 -18.725 -14.058 210 H THR 31 H THR 31 -2.677 -14.493 -11.891 211 HA THR 31 HA THR 31 -2.100 -15.785 -9.342 212 HB THR 31 HB THR 31 -0.906 -13.715 -9.812 213 HG1 THR 31 HG1 THR 31 -1.350 -14.014 -7.645 214 HG21 THR 31 HG21 THR 31 -3.269 -12.878 -10.974 215 HG22 THR 31 HG22 THR 31 -1.848 -11.878 -10.679 216 HG23 THR 31 HG23 THR 31 -3.165 -11.905 -9.508 217 H ARG 32 H ARG 32 -4.767 -14.563 -11.134 218 HA ARG 32 HA ARG 32 -6.487 -14.812 -8.753 219 HB2 ARG 32 HB2 ARG 32 -6.982 -13.113 -11.204 220 HB3 ARG 32 HB3 ARG 32 -8.018 -13.218 -9.787 221 HG2 ARG 32 HG2 ARG 32 -5.236 -12.461 -9.234 222 HG3 ARG 32 HG3 ARG 32 -6.159 -11.300 -10.190 223 HD2 ARG 32 HD2 ARG 32 -7.686 -12.334 -7.952 224 HD3 ARG 32 HD3 ARG 32 -6.185 -11.570 -7.432 225 HE ARG 32 HE ARG 32 -8.499 -10.270 -8.487 226 HH11 ARG 32 HH11 ARG 32 -5.032 -10.080 -8.235 227 HH12 ARG 32 HH12 ARG 32 -4.984 -8.357 -8.407 228 HH21 ARG 32 HH21 ARG 32 -8.448 -8.001 -8.715 229 HH22 ARG 32 HH22 ARG 32 -6.927 -7.175 -8.679 230 H LEU 33 H LEU 33 -5.922 -15.726 -12.051 231 HA LEU 33 HA LEU 33 -8.363 -16.732 -12.843 232 HB2 LEU 33 HB2 LEU 33 -6.696 -16.753 -14.457 233 HB3 LEU 33 HB3 LEU 33 -5.543 -17.558 -13.395 234 HG LEU 33 HG LEU 33 -6.741 -19.660 -13.657 235 HD11 LEU 33 HD11 LEU 33 -8.597 -18.038 -15.387 236 HD12 LEU 33 HD12 LEU 33 -8.994 -18.915 -13.910 237 HD13 LEU 33 HD13 LEU 33 -8.551 -19.801 -15.369 238 HD21 LEU 33 HD21 LEU 33 -5.115 -19.638 -15.248 239 HD22 LEU 33 HD22 LEU 33 -5.716 -18.163 -16.004 240 HD23 LEU 33 HD23 LEU 33 -6.526 -19.701 -16.304 241 H LEU 34 H LEU 34 -5.808 -18.455 -11.057 242 HA LEU 34 HA LEU 34 -7.194 -20.874 -10.757 243 HB2 LEU 34 HB2 LEU 34 -5.000 -19.574 -9.171 244 HB3 LEU 34 HB3 LEU 34 -5.651 -21.154 -8.742 245 HG LEU 34 HG LEU 34 -3.647 -21.513 -9.966 246 HD11 LEU 34 HD11 LEU 34 -5.771 -21.933 -12.037 247 HD12 LEU 34 HD12 LEU 34 -5.766 -22.848 -10.530 248 HD13 LEU 34 HD13 LEU 34 -4.393 -22.958 -11.632 249 HD21 LEU 34 HD21 LEU 34 -3.996 -19.131 -11.100 250 HD22 LEU 34 HD22 LEU 34 -4.591 -20.141 -12.417 251 HD23 LEU 34 HD23 LEU 34 -2.954 -20.369 -11.803 252 H GLN 35 H GLN 35 -6.959 -18.061 -8.600 253 HA GLN 35 HA GLN 35 -8.409 -19.018 -6.449 254 HB2 GLN 35 HB2 GLN 35 -8.320 -16.215 -7.574 255 HB3 GLN 35 HB3 GLN 35 -8.974 -16.630 -5.996 256 HG2 GLN 35 HG2 GLN 35 -6.594 -17.721 -5.684 257 HG3 GLN 35 HG3 GLN 35 -6.158 -16.547 -6.924 258 HE21 GLN 35 HE21 GLN 35 -6.543 -17.061 -3.660 259 HE22 GLN 35 HE22 GLN 35 -6.558 -15.418 -3.127 260 H THR 36 H THR 36 -9.551 -17.729 -9.511 261 HA THR 36 HA THR 36 -12.307 -17.643 -8.728 262 HB THR 36 HB THR 36 -12.299 -17.745 -11.496 263 HG1 THR 36 HG1 THR 36 -10.215 -17.502 -11.933 264 HG21 THR 36 HG21 THR 36 -12.226 -15.142 -11.171 265 HG22 THR 36 HG22 THR 36 -12.285 -15.560 -9.460 266 HG23 THR 36 HG23 THR 36 -13.578 -16.081 -10.539 267 H LYS 37 H LYS 37 -10.170 -20.058 -9.932 268 HA LYS 37 HA LYS 37 -12.419 -21.819 -10.617 269 HB2 LYS 37 HB2 LYS 37 -9.466 -22.172 -11.167 270 HB3 LYS 37 HB3 LYS 37 -10.750 -23.243 -11.713 271 HG2 LYS 37 HG2 LYS 37 -10.302 -20.385 -12.545 272 HG3 LYS 37 HG3 LYS 37 -10.069 -21.832 -13.528 273 HD2 LYS 37 HD2 LYS 37 -12.593 -22.252 -12.948 274 HD3 LYS 37 HD3 LYS 37 -12.599 -20.511 -12.654 275 HE2 LYS 37 HE2 LYS 37 -12.101 -20.010 -14.864 276 HE3 LYS 37 HE3 LYS 37 -11.437 -21.612 -15.182 277 HZ1 LYS 37 HZ1 LYS 37 -13.655 -21.174 -16.195 278 HZ2 LYS 37 HZ2 LYS 37 -14.309 -21.118 -14.635 279 HZ3 LYS 37 HZ3 LYS 37 -13.601 -22.544 -15.204 280 H ASN 38 H ASN 38 -11.095 -21.040 -7.904 281 HA ASN 38 HA ASN 38 -10.768 -22.040 -5.888 282 HB2 ASN 38 HB2 ASN 38 -11.895 -24.571 -7.079 283 HB3 ASN 38 HB3 ASN 38 -11.962 -24.032 -5.404 284 HD21 ASN 38 HD21 ASN 38 -13.839 -24.548 -7.919 285 HD22 ASN 38 HD22 ASN 38 -15.025 -23.308 -7.717 286 H TYR 39 H TYR 39 -8.589 -21.990 -7.609 287 HA TYR 39 HA TYR 39 -6.506 -22.856 -7.899 288 HB2 TYR 39 HB2 TYR 39 -7.096 -24.715 -5.602 289 HB3 TYR 39 HB3 TYR 39 -5.544 -24.041 -6.088 290 HD1 TYR 39 HD1 TYR 39 -5.856 -21.246 -6.260 291 HD2 TYR 39 HD2 TYR 39 -7.759 -23.917 -3.549 292 HE1 TYR 39 HE1 TYR 39 -6.153 -19.402 -4.660 293 HE2 TYR 39 HE2 TYR 39 -8.062 -22.080 -1.942 294 HH TYR 39 HH TYR 39 -6.548 -19.580 -1.701 295 H ASP 40 H ASP 40 -8.135 -23.850 -9.711 296 HA ASP 40 HA ASP 40 -7.782 -26.769 -9.700 297 HB2 ASP 40 HB2 ASP 40 -9.827 -24.959 -10.787 298 HB3 ASP 40 HB3 ASP 40 -9.327 -26.231 -11.898 299 H ILE 41 H ILE 41 -6.876 -27.827 -11.492 300 HA ILE 41 HA ILE 41 -5.062 -26.132 -13.059 301 HB ILE 41 HB ILE 41 -4.878 -29.123 -12.939 302 HG12 ILE 41 HG12 ILE 41 -4.981 -28.447 -10.614 303 HG13 ILE 41 HG13 ILE 41 -3.318 -28.859 -11.017 304 HG21 ILE 41 HG21 ILE 41 -2.415 -27.625 -12.889 305 HG22 ILE 41 HG22 ILE 41 -2.985 -28.812 -14.061 306 HG23 ILE 41 HG23 ILE 41 -3.440 -27.117 -14.231 307 HD11 ILE 41 HD11 ILE 41 -4.453 -26.080 -10.819 308 HD12 ILE 41 HD12 ILE 41 -3.420 -26.874 -9.630 309 HD13 ILE 41 HD13 ILE 41 -2.787 -26.486 -11.231 310 H GLY 42 H GLY 42 -7.668 -28.438 -13.336 311 HA2 GLY 42 HA2 GLY 42 -7.362 -28.724 -16.204 312 HA3 GLY 42 HA3 GLY 42 -8.635 -29.422 -15.214 313 H ALA 43 H ALA 43 -8.947 -26.562 -14.077 314 HA ALA 43 HA ALA 43 -10.918 -25.753 -16.066 315 HB1 ALA 43 HB1 ALA 43 -11.387 -25.945 -13.564 316 HB2 ALA 43 HB2 ALA 43 -10.480 -24.441 -13.402 317 HB3 ALA 43 HB3 ALA 43 -11.944 -24.486 -14.384 318 H ALA 44 H ALA 44 -7.953 -24.606 -14.577 319 HA ALA 44 HA ALA 44 -8.090 -21.997 -15.777 320 HB1 ALA 44 HB1 ALA 44 -6.887 -21.950 -13.812 321 HB2 ALA 44 HB2 ALA 44 -6.064 -23.473 -14.154 322 HB3 ALA 44 HB3 ALA 44 -5.600 -22.007 -15.016 323 H LEU 45 H LEU 45 -7.150 -25.091 -16.827 324 HA LEU 45 HA LEU 45 -5.141 -24.303 -18.700 325 HB2 LEU 45 HB2 LEU 45 -6.668 -26.780 -18.105 326 HB3 LEU 45 HB3 LEU 45 -5.905 -26.644 -19.687 327 HG LEU 45 HG LEU 45 -4.402 -26.341 -17.094 328 HD11 LEU 45 HD11 LEU 45 -5.581 -28.627 -17.646 329 HD12 LEU 45 HD12 LEU 45 -3.928 -28.575 -17.035 330 HD13 LEU 45 HD13 LEU 45 -4.223 -28.799 -18.759 331 HD21 LEU 45 HD21 LEU 45 -3.736 -25.775 -19.754 332 HD22 LEU 45 HD22 LEU 45 -2.920 -27.290 -19.366 333 HD23 LEU 45 HD23 LEU 45 -2.648 -25.861 -18.368 334 H ASP 46 H ASP 46 -8.575 -24.293 -18.683 335 HA ASP 46 HA ASP 46 -8.629 -23.851 -21.594 336 HB2 ASP 46 HB2 ASP 46 -10.188 -25.544 -20.023 337 HB3 ASP 46 HB3 ASP 46 -11.237 -24.166 -20.349 338 H THR 47 H THR 47 -7.988 -21.940 -19.358 339 HA THR 47 HA THR 47 -10.146 -19.986 -19.799 340 HB THR 47 HB THR 47 -8.022 -19.713 -17.687 341 HG1 THR 47 HG1 THR 47 -10.426 -21.222 -17.611 342 HG21 THR 47 HG21 THR 47 -10.180 -18.603 -16.628 343 HG22 THR 47 HG22 THR 47 -10.642 -18.452 -18.322 344 HG23 THR 47 HG23 THR 47 -9.145 -17.717 -17.748 345 H ILE 48 H ILE 48 -7.590 -20.735 -21.390 346 HA ILE 48 HA ILE 48 -6.580 -17.976 -21.638 347 HB ILE 48 HB ILE 48 -4.930 -20.240 -22.631 348 HG12 ILE 48 HG12 ILE 48 -3.895 -20.083 -20.178 349 HG13 ILE 48 HG13 ILE 48 -5.567 -19.714 -19.768 350 HG21 ILE 48 HG21 ILE 48 -4.477 -17.501 -21.511 351 HG22 ILE 48 HG22 ILE 48 -3.160 -18.668 -21.605 352 HG23 ILE 48 HG23 ILE 48 -3.994 -18.161 -23.073 353 HD11 ILE 48 HD11 ILE 48 -5.434 -21.991 -21.515 354 HD12 ILE 48 HD12 ILE 48 -4.416 -22.226 -20.095 355 HD13 ILE 48 HD13 ILE 48 -6.128 -21.848 -19.900 356 H GLN 49 H GLN 49 -7.710 -20.845 -23.278 357 HA GLN 49 HA GLN 49 -7.080 -20.313 -25.906 358 HB2 GLN 49 HB2 GLN 49 -9.703 -21.440 -24.913 359 HB3 GLN 49 HB3 GLN 49 -9.020 -21.651 -26.520 360 HG2 GLN 49 HG2 GLN 49 -7.918 -22.722 -23.934 361 HG3 GLN 49 HG3 GLN 49 -8.675 -23.644 -25.232 362 HE21 GLN 49 HE21 GLN 49 -6.053 -23.996 -24.097 363 HE22 GLN 49 HE22 GLN 49 -4.919 -23.778 -25.382 364 H TYR 50 H TYR 50 -9.777 -19.040 -24.002 365 HA TYR 50 HA TYR 50 -9.893 -16.632 -25.480 366 HB2 TYR 50 HB2 TYR 50 -11.953 -16.876 -26.669 367 HB3 TYR 50 HB3 TYR 50 -10.931 -18.235 -27.123 368 HD1 TYR 50 HD1 TYR 50 -13.945 -17.210 -25.310 369 HD2 TYR 50 HD2 TYR 50 -11.491 -20.496 -26.442 370 HE1 TYR 50 HE1 TYR 50 -15.738 -18.764 -24.665 371 HE2 TYR 50 HE2 TYR 50 -13.278 -22.059 -25.801 372 HH TYR 50 HH TYR 50 -15.845 -21.931 -25.585 373 H SER 51 H SER 51 -10.841 -15.102 -24.271 374 HA SER 51 HA SER 51 -13.086 -15.446 -22.626 375 HB2 SER 51 HB2 SER 51 -11.716 -16.805 -21.188 376 HB3 SER 51 HB3 SER 51 -10.419 -15.610 -21.208 377 HG SER 51 HG SER 51 -12.716 -15.691 -19.706 378 H LYS 52 H LYS 52 -10.006 -13.752 -22.041 379 HA LYS 52 HA LYS 52 -11.397 -11.243 -21.723 380 HB2 LYS 52 HB2 LYS 52 -8.468 -11.976 -21.624 381 HB3 LYS 52 HB3 LYS 52 -9.072 -10.345 -21.361 382 HG2 LYS 52 HG2 LYS 52 -10.513 -12.145 -19.683 383 HG3 LYS 52 HG3 LYS 52 -8.781 -12.425 -19.484 384 HD2 LYS 52 HD2 LYS 52 -10.133 -9.732 -19.304 385 HD3 LYS 52 HD3 LYS 52 -9.669 -10.727 -17.921 386 HE2 LYS 52 HE2 LYS 52 -7.383 -10.544 -19.527 387 HE3 LYS 52 HE3 LYS 52 -8.075 -8.922 -19.501 388 HZ1 LYS 52 HZ1 LYS 52 -8.210 -9.834 -16.905 389 HZ2 LYS 52 HZ2 LYS 52 -7.140 -8.677 -17.522 390 HZ3 LYS 52 HZ3 LYS 52 -6.680 -10.303 -17.453 391 H HIS 53 H HIS 53 -9.639 -12.894 -24.210 392 HA HIS 53 HA HIS 53 -8.775 -10.822 -25.822 393 HB2 HIS 53 HB2 HIS 53 -9.566 -13.641 -26.267 394 HB3 HIS 53 HB3 HIS 53 -9.549 -12.611 -27.695 395 HD1 HIS 53 HD1 HIS 53 -7.191 -11.372 -28.159 396 HD2 HIS 53 HD2 HIS 53 -7.120 -14.568 -25.506 397 HE1 HIS 53 HE1 HIS 53 -4.776 -12.052 -27.991 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 1.917 -2.027 -13.842 2 HA2 GLY 1 HA2 GLY 1 -0.091 -3.623 -13.826 3 HA3 GLY 1 HA3 GLY 1 1.090 -4.795 -13.261 4 HA PRO 2 HA PRO 2 -0.912 -2.669 -9.614 5 HB2 PRO 2 HB2 PRO 2 -1.706 -4.952 -8.378 6 HB3 PRO 2 HB3 PRO 2 -2.698 -4.114 -9.577 7 HG2 PRO 2 HG2 PRO 2 -0.935 -6.509 -9.918 8 HG3 PRO 2 HG3 PRO 2 -2.561 -6.216 -10.562 9 HD2 PRO 2 HD2 PRO 2 -0.325 -5.907 -12.057 10 HD3 PRO 2 HD3 PRO 2 -1.777 -4.913 -12.295 11 H LEU 3 H LEU 3 0.390 -2.145 -7.978 12 HA LEU 3 HA LEU 3 2.890 -3.351 -7.553 13 HB2 LEU 3 HB2 LEU 3 2.549 -1.064 -6.959 14 HB3 LEU 3 HB3 LEU 3 1.252 -1.491 -5.845 15 HG LEU 3 HG LEU 3 3.874 -2.682 -5.231 16 HD11 LEU 3 HD11 LEU 3 4.763 -0.621 -4.266 17 HD12 LEU 3 HD12 LEU 3 3.420 0.287 -4.959 18 HD13 LEU 3 HD13 LEU 3 4.596 -0.493 -6.017 19 HD21 LEU 3 HD21 LEU 3 1.487 -1.627 -3.847 20 HD22 LEU 3 HD22 LEU 3 3.023 -1.470 -2.996 21 HD23 LEU 3 HD23 LEU 3 2.458 -3.060 -3.509 22 H GLY 4 H GLY 4 3.366 -5.212 -6.601 23 HA2 GLY 4 HA2 GLY 4 3.039 -6.188 -4.205 24 HA3 GLY 4 HA3 GLY 4 1.398 -6.419 -4.789 25 H SER 5 H SER 5 4.317 -7.896 -4.378 26 HA SER 5 HA SER 5 3.719 -9.877 -6.478 27 HB2 SER 5 HB2 SER 5 5.803 -8.659 -6.971 28 HB3 SER 5 HB3 SER 5 6.445 -9.120 -5.395 29 HG SER 5 HG SER 5 7.222 -10.676 -6.654 30 H GLU 6 H GLU 6 2.335 -10.608 -4.564 31 HA GLU 6 HA GLU 6 3.929 -12.473 -2.936 32 HB2 GLU 6 HB2 GLU 6 2.911 -10.459 -1.698 33 HB3 GLU 6 HB3 GLU 6 1.360 -11.244 -1.963 34 HG2 GLU 6 HG2 GLU 6 2.317 -11.711 0.253 35 HG3 GLU 6 HG3 GLU 6 2.054 -13.166 -0.706 36 H ALA 7 H ALA 7 2.680 -14.365 -2.172 37 HA ALA 7 HA ALA 7 0.333 -15.032 -3.773 38 HB1 ALA 7 HB1 ALA 7 2.957 -16.473 -3.914 39 HB2 ALA 7 HB2 ALA 7 1.438 -17.301 -4.259 40 HB3 ALA 7 HB3 ALA 7 1.925 -15.911 -5.229 41 H ASP 8 H ASP 8 -0.142 -17.552 -3.153 42 HA ASP 8 HA ASP 8 0.014 -17.708 -0.215 43 HB2 ASP 8 HB2 ASP 8 -2.319 -17.528 -1.904 44 HB3 ASP 8 HB3 ASP 8 -2.327 -19.048 -1.014 45 HA PRO 9 HA PRO 9 1.433 -21.839 -0.603 46 HB2 PRO 9 HB2 PRO 9 0.184 -23.082 1.462 47 HB3 PRO 9 HB3 PRO 9 1.504 -21.929 1.691 48 HG2 PRO 9 HG2 PRO 9 -1.449 -21.500 1.930 49 HG3 PRO 9 HG3 PRO 9 -0.145 -20.920 2.983 50 HD2 PRO 9 HD2 PRO 9 -1.324 -19.346 1.122 51 HD3 PRO 9 HD3 PRO 9 0.383 -19.171 1.577 52 H ARG 10 H ARG 10 -2.065 -21.450 -0.303 53 HA ARG 10 HA ARG 10 -2.551 -24.055 -1.503 54 HB2 ARG 10 HB2 ARG 10 -4.289 -21.932 -0.288 55 HB3 ARG 10 HB3 ARG 10 -5.000 -23.181 -1.303 56 HG2 ARG 10 HG2 ARG 10 -4.743 -24.782 0.255 57 HG3 ARG 10 HG3 ARG 10 -3.196 -24.141 0.813 58 HD2 ARG 10 HD2 ARG 10 -4.211 -23.211 2.554 59 HD3 ARG 10 HD3 ARG 10 -5.206 -22.250 1.462 60 HE ARG 10 HE ARG 10 -6.193 -24.913 1.779 61 HH11 ARG 10 HH11 ARG 10 -6.105 -21.747 3.225 62 HH12 ARG 10 HH12 ARG 10 -7.590 -21.959 4.093 63 HH21 ARG 10 HH21 ARG 10 -8.148 -25.204 2.916 64 HH22 ARG 10 HH22 ARG 10 -8.751 -23.926 3.917 65 H LEU 11 H LEU 11 -1.484 -21.378 -2.793 66 HA LEU 11 HA LEU 11 -3.238 -21.519 -5.157 67 HB2 LEU 11 HB2 LEU 11 -3.445 -19.354 -4.205 68 HB3 LEU 11 HB3 LEU 11 -1.701 -19.207 -4.001 69 HG LEU 11 HG LEU 11 -1.544 -19.222 -6.532 70 HD11 LEU 11 HD11 LEU 11 -3.459 -19.898 -7.505 71 HD12 LEU 11 HD12 LEU 11 -3.890 -18.195 -7.361 72 HD13 LEU 11 HD13 LEU 11 -4.463 -19.353 -6.161 73 HD21 LEU 11 HD21 LEU 11 -1.868 -17.186 -4.734 74 HD22 LEU 11 HD22 LEU 11 -3.113 -16.831 -5.933 75 HD23 LEU 11 HD23 LEU 11 -1.428 -16.989 -6.431 76 H ILE 12 H ILE 12 0.103 -20.886 -4.111 77 HA ILE 12 HA ILE 12 1.366 -20.924 -6.564 78 HB ILE 12 HB ILE 12 3.395 -21.663 -5.388 79 HG12 ILE 12 HG12 ILE 12 2.856 -21.784 -2.741 80 HG13 ILE 12 HG13 ILE 12 1.387 -22.510 -3.383 81 HG21 ILE 12 HG21 ILE 12 3.488 -19.492 -4.917 82 HG22 ILE 12 HG22 ILE 12 1.744 -19.407 -4.677 83 HG23 ILE 12 HG23 ILE 12 2.795 -19.875 -3.342 84 HD11 ILE 12 HD11 ILE 12 2.441 -24.427 -3.662 85 HD12 ILE 12 HD12 ILE 12 3.622 -23.652 -4.718 86 HD13 ILE 12 HD13 ILE 12 3.899 -23.712 -2.977 87 H GLU 13 H GLU 13 0.085 -23.584 -4.711 88 HA GLU 13 HA GLU 13 1.434 -25.739 -5.807 89 HB2 GLU 13 HB2 GLU 13 -0.607 -27.060 -5.299 90 HB3 GLU 13 HB3 GLU 13 -0.090 -26.039 -3.964 91 HG2 GLU 13 HG2 GLU 13 -2.240 -25.447 -3.874 92 HG3 GLU 13 HG3 GLU 13 -1.830 -24.392 -5.225 93 H SER 14 H SER 14 -1.360 -23.979 -7.072 94 HA SER 14 HA SER 14 -1.698 -25.688 -9.339 95 HB2 SER 14 HB2 SER 14 -2.772 -22.944 -8.669 96 HB3 SER 14 HB3 SER 14 -3.187 -23.803 -10.152 97 HG SER 14 HG SER 14 -4.679 -24.680 -8.961 98 H LEU 15 H LEU 15 -0.372 -22.414 -8.903 99 HA LEU 15 HA LEU 15 0.321 -21.826 -11.496 100 HB2 LEU 15 HB2 LEU 15 1.720 -21.175 -8.915 101 HB3 LEU 15 HB3 LEU 15 2.230 -20.514 -10.467 102 HG LEU 15 HG LEU 15 -0.595 -20.072 -9.986 103 HD11 LEU 15 HD11 LEU 15 -0.194 -18.334 -8.220 104 HD12 LEU 15 HD12 LEU 15 1.381 -19.077 -7.947 105 HD13 LEU 15 HD13 LEU 15 -0.091 -20.005 -7.668 106 HD21 LEU 15 HD21 LEU 15 -0.154 -18.138 -11.053 107 HD22 LEU 15 HD22 LEU 15 1.348 -18.955 -11.485 108 HD23 LEU 15 HD23 LEU 15 1.314 -17.834 -10.124 109 H SER 16 H SER 16 2.117 -23.769 -9.151 110 HA SER 16 HA SER 16 4.490 -24.129 -10.521 111 HB2 SER 16 HB2 SER 16 2.956 -25.833 -8.590 112 HB3 SER 16 HB3 SER 16 4.400 -26.486 -9.364 113 HG SER 16 HG SER 16 4.247 -24.825 -7.293 114 H GLN 17 H GLN 17 1.364 -25.581 -11.083 115 HA GLN 17 HA GLN 17 2.390 -27.526 -12.959 116 HB2 GLN 17 HB2 GLN 17 -0.503 -26.782 -12.586 117 HB3 GLN 17 HB3 GLN 17 0.165 -28.305 -13.158 118 HG2 GLN 17 HG2 GLN 17 1.223 -27.893 -10.591 119 HG3 GLN 17 HG3 GLN 17 -0.493 -27.501 -10.497 120 HE21 GLN 17 HE21 GLN 17 -1.518 -29.249 -12.360 121 HE22 GLN 17 HE22 GLN 17 -1.303 -30.870 -11.803 122 H MET 18 H MET 18 0.671 -24.447 -13.059 123 HA MET 18 HA MET 18 0.171 -24.431 -15.841 124 HB2 MET 18 HB2 MET 18 0.545 -22.020 -14.061 125 HB3 MET 18 HB3 MET 18 -0.348 -22.096 -15.574 126 HG2 MET 18 HG2 MET 18 -1.335 -24.025 -13.665 127 HG3 MET 18 HG3 MET 18 -1.364 -22.388 -13.013 128 HE1 MET 18 HE1 MET 18 -3.331 -23.731 -16.917 129 HE2 MET 18 HE2 MET 18 -1.940 -22.657 -17.071 130 HE3 MET 18 HE3 MET 18 -1.763 -24.219 -16.271 131 H LEU 19 H LEU 19 2.727 -22.878 -13.905 132 HA LEU 19 HA LEU 19 4.125 -21.741 -16.050 133 HB2 LEU 19 HB2 LEU 19 5.345 -22.737 -13.485 134 HB3 LEU 19 HB3 LEU 19 5.951 -21.458 -14.535 135 HG LEU 19 HG LEU 19 3.291 -21.163 -13.197 136 HD11 LEU 19 HD11 LEU 19 5.348 -21.783 -11.635 137 HD12 LEU 19 HD12 LEU 19 4.143 -20.580 -11.176 138 HD13 LEU 19 HD13 LEU 19 5.689 -20.065 -11.849 139 HD21 LEU 19 HD21 LEU 19 3.473 -19.327 -14.481 140 HD22 LEU 19 HD22 LEU 19 5.222 -19.487 -14.642 141 HD23 LEU 19 HD23 LEU 19 4.534 -18.752 -13.194 142 H SER 20 H SER 20 4.174 -24.965 -14.697 143 HA SER 20 HA SER 20 6.511 -25.772 -16.188 144 HB2 SER 20 HB2 SER 20 6.206 -26.855 -14.082 145 HB3 SER 20 HB3 SER 20 4.539 -27.282 -14.467 146 HG SER 20 HG SER 20 6.393 -28.901 -14.730 147 H MET 21 H MET 21 3.077 -25.759 -16.624 148 HA MET 21 HA MET 21 3.072 -27.718 -18.737 149 HB2 MET 21 HB2 MET 21 1.070 -26.081 -17.318 150 HB3 MET 21 HB3 MET 21 0.694 -26.425 -19.001 151 HG2 MET 21 HG2 MET 21 0.980 -28.828 -18.544 152 HG3 MET 21 HG3 MET 21 1.267 -28.447 -16.848 153 HE1 MET 21 HE1 MET 21 -2.228 -26.705 -16.002 154 HE2 MET 21 HE2 MET 21 -0.611 -27.040 -15.385 155 HE3 MET 21 HE3 MET 21 -0.827 -25.909 -16.720 156 H GLY 22 H GLY 22 3.315 -24.248 -18.457 157 HA2 GLY 22 HA2 GLY 22 4.572 -23.352 -20.485 158 HA3 GLY 22 HA3 GLY 22 3.225 -24.017 -21.397 159 H PHE 23 H PHE 23 3.428 -22.118 -18.388 160 HA PHE 23 HA PHE 23 1.989 -19.938 -19.688 161 HB2 PHE 23 HB2 PHE 23 0.998 -21.355 -17.207 162 HB3 PHE 23 HB3 PHE 23 0.365 -19.821 -17.796 163 HD1 PHE 23 HD1 PHE 23 -0.971 -19.723 -19.823 164 HD2 PHE 23 HD2 PHE 23 0.482 -23.426 -18.310 165 HE1 PHE 23 HE1 PHE 23 -2.552 -20.931 -21.271 166 HE2 PHE 23 HE2 PHE 23 -1.095 -24.640 -19.756 167 HZ PHE 23 HZ PHE 23 -2.615 -23.392 -21.239 168 H SER 24 H SER 24 1.605 -18.159 -17.859 169 HA SER 24 HA SER 24 3.839 -18.026 -16.001 170 HB2 SER 24 HB2 SER 24 4.419 -17.057 -18.388 171 HB3 SER 24 HB3 SER 24 3.500 -15.668 -17.811 172 HG SER 24 HG SER 24 5.830 -15.659 -17.375 173 H ASP 25 H ASP 25 3.706 -15.420 -15.249 174 HA ASP 25 HA ASP 25 0.886 -14.968 -14.542 175 HB2 ASP 25 HB2 ASP 25 1.592 -14.335 -12.261 176 HB3 ASP 25 HB3 ASP 25 1.962 -16.019 -12.625 177 H GLU 26 H GLU 26 2.718 -13.748 -16.532 178 HA GLU 26 HA GLU 26 3.722 -11.286 -15.797 179 HB2 GLU 26 HB2 GLU 26 2.323 -11.974 -18.388 180 HB3 GLU 26 HB3 GLU 26 3.401 -10.608 -18.136 181 HG2 GLU 26 HG2 GLU 26 4.517 -13.240 -17.454 182 HG3 GLU 26 HG3 GLU 26 4.166 -12.976 -19.161 183 H GLY 27 H GLY 27 2.812 -9.579 -14.875 184 HA2 GLY 27 HA2 GLY 27 1.294 -7.809 -14.685 185 HA3 GLY 27 HA3 GLY 27 0.192 -8.669 -15.750 186 H GLY 28 H GLY 28 -0.184 -11.047 -14.498 187 HA2 GLY 28 HA2 GLY 28 -0.579 -11.733 -12.091 188 HA3 GLY 28 HA3 GLY 28 -1.434 -10.203 -11.959 189 H TRP 29 H TRP 29 -1.445 -12.707 -14.486 190 HA TRP 29 HA TRP 29 -4.372 -12.704 -14.360 191 HB2 TRP 29 HB2 TRP 29 -4.371 -13.576 -16.566 192 HB3 TRP 29 HB3 TRP 29 -3.120 -12.335 -16.544 193 HD1 TRP 29 HD1 TRP 29 -0.563 -13.167 -16.683 194 HE1 TRP 29 HE1 TRP 29 0.468 -15.355 -17.562 195 HE3 TRP 29 HE3 TRP 29 -4.768 -16.073 -16.757 196 HZ2 TRP 29 HZ2 TRP 29 -0.388 -17.968 -18.203 197 HZ3 TRP 29 HZ3 TRP 29 -4.576 -18.406 -17.517 198 HH2 TRP 29 HH2 TRP 29 -2.431 -19.331 -18.225 199 H LEU 30 H LEU 30 -1.645 -14.611 -13.555 200 HA LEU 30 HA LEU 30 -3.293 -17.028 -13.298 201 HB2 LEU 30 HB2 LEU 30 -1.030 -17.001 -14.508 202 HB3 LEU 30 HB3 LEU 30 -0.322 -16.883 -12.899 203 HG LEU 30 HG LEU 30 -1.408 -19.030 -12.310 204 HD11 LEU 30 HD11 LEU 30 -3.034 -18.568 -14.434 205 HD12 LEU 30 HD12 LEU 30 -2.820 -20.136 -13.655 206 HD13 LEU 30 HD13 LEU 30 -1.904 -19.742 -15.110 207 HD21 LEU 30 HD21 LEU 30 0.854 -18.576 -13.878 208 HD22 LEU 30 HD22 LEU 30 0.024 -19.931 -14.643 209 HD23 LEU 30 HD23 LEU 30 0.477 -20.022 -12.941 210 H THR 31 H THR 31 -2.579 -14.441 -11.505 211 HA THR 31 HA THR 31 -1.982 -15.839 -9.016 212 HB THR 31 HB THR 31 -0.786 -13.759 -9.391 213 HG1 THR 31 HG1 THR 31 -1.043 -13.820 -7.270 214 HG21 THR 31 HG21 THR 31 -2.997 -11.920 -9.037 215 HG22 THR 31 HG22 THR 31 -3.174 -12.872 -10.510 216 HG23 THR 31 HG23 THR 31 -1.715 -11.917 -10.248 217 H ARG 32 H ARG 32 -4.661 -14.535 -10.734 218 HA ARG 32 HA ARG 32 -6.363 -14.887 -8.354 219 HB2 ARG 32 HB2 ARG 32 -6.876 -13.087 -10.728 220 HB3 ARG 32 HB3 ARG 32 -7.901 -13.251 -9.309 221 HG2 ARG 32 HG2 ARG 32 -5.117 -12.519 -8.743 222 HG3 ARG 32 HG3 ARG 32 -6.041 -11.319 -9.648 223 HD2 ARG 32 HD2 ARG 32 -7.569 -12.432 -7.452 224 HD3 ARG 32 HD3 ARG 32 -6.058 -11.710 -6.899 225 HE ARG 32 HE ARG 32 -7.541 -10.048 -8.717 226 HH11 ARG 32 HH11 ARG 32 -7.106 -10.981 -5.391 227 HH12 ARG 32 HH12 ARG 32 -7.758 -9.506 -4.757 228 HH21 ARG 32 HH21 ARG 32 -8.401 -8.103 -7.894 229 HH22 ARG 32 HH22 ARG 32 -8.495 -7.870 -6.181 230 H LEU 33 H LEU 33 -5.822 -15.664 -11.690 231 HA LEU 33 HA LEU 33 -8.271 -16.637 -12.503 232 HB2 LEU 33 HB2 LEU 33 -6.620 -16.588 -14.132 233 HB3 LEU 33 HB3 LEU 33 -5.455 -17.433 -13.115 234 HG LEU 33 HG LEU 33 -6.638 -19.527 -13.458 235 HD11 LEU 33 HD11 LEU 33 -8.904 -18.659 -13.635 236 HD12 LEU 33 HD12 LEU 33 -8.510 -19.671 -15.024 237 HD13 LEU 33 HD13 LEU 33 -8.511 -17.915 -15.185 238 HD21 LEU 33 HD21 LEU 33 -5.085 -19.490 -15.097 239 HD22 LEU 33 HD22 LEU 33 -5.608 -17.920 -15.708 240 HD23 LEU 33 HD23 LEU 33 -6.505 -19.376 -16.138 241 H LEU 34 H LEU 34 -5.691 -18.451 -10.845 242 HA LEU 34 HA LEU 34 -7.066 -20.877 -10.629 243 HB2 LEU 34 HB2 LEU 34 -4.874 -19.631 -9.000 244 HB3 LEU 34 HB3 LEU 34 -5.518 -21.228 -8.625 245 HG LEU 34 HG LEU 34 -3.516 -21.534 -9.869 246 HD11 LEU 34 HD11 LEU 34 -5.652 -21.893 -11.940 247 HD12 LEU 34 HD12 LEU 34 -5.628 -22.862 -10.467 248 HD13 LEU 34 HD13 LEU 34 -4.264 -22.922 -11.583 249 HD21 LEU 34 HD21 LEU 34 -4.483 -20.079 -12.265 250 HD22 LEU 34 HD22 LEU 34 -2.840 -20.326 -11.672 251 HD23 LEU 34 HD23 LEU 34 -3.877 -19.116 -10.916 252 H GLN 35 H GLN 35 -6.856 -18.150 -8.364 253 HA GLN 35 HA GLN 35 -8.276 -19.196 -6.240 254 HB2 GLN 35 HB2 GLN 35 -8.216 -16.368 -7.298 255 HB3 GLN 35 HB3 GLN 35 -8.928 -16.817 -5.754 256 HG2 GLN 35 HG2 GLN 35 -6.766 -17.629 -4.981 257 HG3 GLN 35 HG3 GLN 35 -6.047 -17.207 -6.534 258 HE21 GLN 35 HE21 GLN 35 -6.134 -16.254 -3.494 259 HE22 GLN 35 HE22 GLN 35 -6.011 -14.540 -3.674 260 H THR 36 H THR 36 -9.502 -17.688 -9.190 261 HA THR 36 HA THR 36 -12.239 -17.753 -8.405 262 HB THR 36 HB THR 36 -12.774 -17.053 -10.599 263 HG1 THR 36 HG1 THR 36 -11.821 -18.150 -12.140 264 HG21 THR 36 HG21 THR 36 -10.158 -15.791 -10.752 265 HG22 THR 36 HG22 THR 36 -10.826 -15.755 -9.121 266 HG23 THR 36 HG23 THR 36 -11.741 -15.071 -10.465 267 H LYS 37 H LYS 37 -10.066 -20.077 -9.718 268 HA LYS 37 HA LYS 37 -12.283 -21.857 -10.455 269 HB2 LYS 37 HB2 LYS 37 -9.325 -22.139 -11.020 270 HB3 LYS 37 HB3 LYS 37 -10.594 -23.206 -11.607 271 HG2 LYS 37 HG2 LYS 37 -10.188 -20.312 -12.327 272 HG3 LYS 37 HG3 LYS 37 -9.933 -21.716 -13.366 273 HD2 LYS 37 HD2 LYS 37 -12.444 -22.204 -12.828 274 HD3 LYS 37 HD3 LYS 37 -12.489 -20.487 -12.423 275 HE2 LYS 37 HE2 LYS 37 -12.225 -19.836 -14.579 276 HE3 LYS 37 HE3 LYS 37 -11.189 -21.205 -14.978 277 HZ1 LYS 37 HZ1 LYS 37 -13.350 -22.555 -14.739 278 HZ2 LYS 37 HZ2 LYS 37 -13.113 -21.646 -16.146 279 HZ3 LYS 37 HZ3 LYS 37 -14.132 -21.066 -14.927 280 H ASN 38 H ASN 38 -10.954 -21.149 -7.720 281 HA ASN 38 HA ASN 38 -10.583 -22.211 -5.744 282 HB2 ASN 38 HB2 ASN 38 -12.712 -23.453 -6.771 283 HB3 ASN 38 HB3 ASN 38 -11.594 -24.814 -6.778 284 HD21 ASN 38 HD21 ASN 38 -12.620 -25.963 -5.200 285 HD22 ASN 38 HD22 ASN 38 -12.681 -25.462 -3.547 286 H TYR 39 H TYR 39 -8.423 -22.101 -7.468 287 HA TYR 39 HA TYR 39 -6.348 -22.963 -7.825 288 HB2 TYR 39 HB2 TYR 39 -6.909 -24.899 -5.585 289 HB3 TYR 39 HB3 TYR 39 -5.364 -24.207 -6.067 290 HD1 TYR 39 HD1 TYR 39 -5.698 -21.403 -6.146 291 HD2 TYR 39 HD2 TYR 39 -7.528 -24.177 -3.489 292 HE1 TYR 39 HE1 TYR 39 -5.975 -19.615 -4.480 293 HE2 TYR 39 HE2 TYR 39 -7.812 -22.396 -1.816 294 HH TYR 39 HH TYR 39 -6.441 -20.032 -1.396 295 H ASP 40 H ASP 40 -7.964 -23.885 -9.665 296 HA ASP 40 HA ASP 40 -7.624 -26.806 -9.751 297 HB2 ASP 40 HB2 ASP 40 -9.683 -24.960 -10.759 298 HB3 ASP 40 HB3 ASP 40 -9.204 -26.212 -11.902 299 H ILE 41 H ILE 41 -6.735 -27.799 -11.585 300 HA ILE 41 HA ILE 41 -4.950 -26.047 -13.120 301 HB ILE 41 HB ILE 41 -4.762 -29.040 -13.106 302 HG12 ILE 41 HG12 ILE 41 -4.825 -28.444 -10.759 303 HG13 ILE 41 HG13 ILE 41 -3.168 -28.836 -11.204 304 HG21 ILE 41 HG21 ILE 41 -3.346 -26.988 -14.353 305 HG22 ILE 41 HG22 ILE 41 -2.300 -27.544 -13.047 306 HG23 ILE 41 HG23 ILE 41 -2.890 -28.688 -14.252 307 HD11 ILE 41 HD11 ILE 41 -4.302 -26.064 -10.910 308 HD12 ILE 41 HD12 ILE 41 -3.273 -26.895 -9.744 309 HD13 ILE 41 HD13 ILE 41 -2.637 -26.465 -11.332 310 H GLY 42 H GLY 42 -7.555 -28.349 -13.442 311 HA2 GLY 42 HA2 GLY 42 -7.291 -28.534 -16.322 312 HA3 GLY 42 HA3 GLY 42 -8.550 -29.265 -15.338 313 H ALA 43 H ALA 43 -8.835 -26.438 -14.104 314 HA ALA 43 HA ALA 43 -10.832 -25.561 -16.041 315 HB1 ALA 43 HB1 ALA 43 -10.366 -24.342 -13.338 316 HB2 ALA 43 HB2 ALA 43 -11.842 -24.360 -14.304 317 HB3 ALA 43 HB3 ALA 43 -11.271 -25.842 -13.539 318 H ALA 44 H ALA 44 -7.863 -24.454 -14.519 319 HA ALA 44 HA ALA 44 -8.007 -21.810 -15.633 320 HB1 ALA 44 HB1 ALA 44 -6.797 -21.845 -13.666 321 HB2 ALA 44 HB2 ALA 44 -5.957 -23.339 -14.086 322 HB3 ALA 44 HB3 ALA 44 -5.520 -21.828 -14.884 323 H LEU 45 H LEU 45 -7.086 -24.861 -16.804 324 HA LEU 45 HA LEU 45 -5.088 -23.999 -18.663 325 HB2 LEU 45 HB2 LEU 45 -6.583 -26.507 -18.124 326 HB3 LEU 45 HB3 LEU 45 -5.850 -26.316 -19.716 327 HG LEU 45 HG LEU 45 -4.318 -26.102 -17.129 328 HD11 LEU 45 HD11 LEU 45 -5.466 -28.383 -17.880 329 HD12 LEU 45 HD12 LEU 45 -3.862 -28.322 -17.151 330 HD13 LEU 45 HD13 LEU 45 -4.029 -28.455 -18.901 331 HD21 LEU 45 HD21 LEU 45 -3.638 -25.211 -19.606 332 HD22 LEU 45 HD22 LEU 45 -2.982 -26.848 -19.630 333 HD23 LEU 45 HD23 LEU 45 -2.488 -25.718 -18.369 334 H ASP 46 H ASP 46 -8.523 -24.030 -18.617 335 HA ASP 46 HA ASP 46 -8.607 -23.491 -21.510 336 HB2 ASP 46 HB2 ASP 46 -10.141 -25.243 -19.970 337 HB3 ASP 46 HB3 ASP 46 -11.204 -23.871 -20.271 338 H THR 47 H THR 47 -7.951 -21.637 -19.247 339 HA THR 47 HA THR 47 -10.139 -19.696 -19.599 340 HB THR 47 HB THR 47 -8.007 -19.471 -17.488 341 HG1 THR 47 HG1 THR 47 -10.339 -21.069 -17.505 342 HG21 THR 47 HG21 THR 47 -10.686 -18.258 -18.021 343 HG22 THR 47 HG22 THR 47 -9.175 -17.479 -17.553 344 HG23 THR 47 HG23 THR 47 -10.106 -18.385 -16.360 345 H ILE 48 H ILE 48 -7.570 -20.372 -21.213 346 HA ILE 48 HA ILE 48 -6.591 -17.596 -21.379 347 HB ILE 48 HB ILE 48 -4.925 -19.811 -22.453 348 HG12 ILE 48 HG12 ILE 48 -3.882 -19.725 -19.999 349 HG13 ILE 48 HG13 ILE 48 -5.556 -19.387 -19.572 350 HG21 ILE 48 HG21 ILE 48 -3.174 -18.247 -21.351 351 HG22 ILE 48 HG22 ILE 48 -3.982 -17.734 -22.832 352 HG23 ILE 48 HG23 ILE 48 -4.508 -17.096 -21.274 353 HD11 ILE 48 HD11 ILE 48 -4.375 -21.875 -19.999 354 HD12 ILE 48 HD12 ILE 48 -6.086 -21.524 -19.758 355 HD13 ILE 48 HD13 ILE 48 -5.422 -21.600 -21.391 356 H GLN 49 H GLN 49 -7.714 -20.414 -23.106 357 HA GLN 49 HA GLN 49 -7.095 -19.798 -25.717 358 HB2 GLN 49 HB2 GLN 49 -9.743 -20.932 -24.811 359 HB3 GLN 49 HB3 GLN 49 -8.971 -21.160 -26.374 360 HG2 GLN 49 HG2 GLN 49 -8.069 -22.240 -23.718 361 HG3 GLN 49 HG3 GLN 49 -8.690 -23.150 -25.095 362 HE21 GLN 49 HE21 GLN 49 -6.212 -23.580 -23.768 363 HE22 GLN 49 HE22 GLN 49 -4.952 -23.302 -24.917 364 H TYR 50 H TYR 50 -9.851 -18.649 -23.803 365 HA TYR 50 HA TYR 50 -9.959 -16.163 -25.145 366 HB2 TYR 50 HB2 TYR 50 -11.964 -16.367 -26.424 367 HB3 TYR 50 HB3 TYR 50 -10.917 -17.696 -26.907 368 HD1 TYR 50 HD1 TYR 50 -13.991 -16.780 -25.127 369 HD2 TYR 50 HD2 TYR 50 -11.495 -19.988 -26.385 370 HE1 TYR 50 HE1 TYR 50 -15.796 -18.374 -24.625 371 HE2 TYR 50 HE2 TYR 50 -13.293 -21.590 -25.888 372 HH TYR 50 HH TYR 50 -15.664 -21.167 -24.006 373 H SER 51 H SER 51 -10.983 -14.717 -23.892 374 HA SER 51 HA SER 51 -13.269 -15.201 -22.338 375 HB2 SER 51 HB2 SER 51 -11.854 -16.603 -20.955 376 HB3 SER 51 HB3 SER 51 -10.652 -15.320 -20.821 377 HG SER 51 HG SER 51 -12.290 -15.645 -19.047 378 H LYS 52 H LYS 52 -10.197 -13.441 -21.885 379 HA LYS 52 HA LYS 52 -11.696 -10.981 -21.423 380 HB2 LYS 52 HB2 LYS 52 -9.092 -12.016 -20.651 381 HB3 LYS 52 HB3 LYS 52 -8.976 -10.386 -21.300 382 HG2 LYS 52 HG2 LYS 52 -11.183 -10.493 -19.505 383 HG3 LYS 52 HG3 LYS 52 -9.767 -11.192 -18.715 384 HD2 LYS 52 HD2 LYS 52 -9.573 -8.595 -20.200 385 HD3 LYS 52 HD3 LYS 52 -10.167 -8.643 -18.538 386 HE2 LYS 52 HE2 LYS 52 -7.914 -10.186 -18.393 387 HE3 LYS 52 HE3 LYS 52 -7.452 -8.971 -19.584 388 HZ1 LYS 52 HZ1 LYS 52 -8.716 -7.596 -17.556 389 HZ2 LYS 52 HZ2 LYS 52 -7.058 -7.619 -17.891 390 HZ3 LYS 52 HZ3 LYS 52 -7.710 -8.707 -16.773 391 H HIS 53 H HIS 53 -9.526 -12.440 -23.753 392 HA HIS 53 HA HIS 53 -9.558 -9.990 -25.365 393 HB2 HIS 53 HB2 HIS 53 -7.707 -10.883 -26.576 394 HB3 HIS 53 HB3 HIS 53 -7.379 -11.172 -24.870 395 HD1 HIS 53 HD1 HIS 53 -6.110 -12.835 -27.212 396 HD2 HIS 53 HD2 HIS 53 -9.408 -13.970 -24.955 397 HE1 HIS 53 HE1 HIS 53 -6.215 -15.341 -27.388 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -0.303 0.581 -10.120 2 HA2 GLY 1 HA2 GLY 1 -2.070 -1.766 -9.799 3 HA3 GLY 1 HA3 GLY 1 -0.377 -1.930 -10.243 4 HA PRO 2 HA PRO 2 -1.074 -1.940 -5.538 5 HB2 PRO 2 HB2 PRO 2 -0.679 -4.590 -5.097 6 HB3 PRO 2 HB3 PRO 2 -2.273 -3.896 -5.414 7 HG2 PRO 2 HG2 PRO 2 -0.415 -5.308 -7.289 8 HG3 PRO 2 HG3 PRO 2 -2.172 -5.475 -7.118 9 HD2 PRO 2 HD2 PRO 2 -1.034 -3.999 -9.082 10 HD3 PRO 2 HD3 PRO 2 -2.600 -3.580 -8.358 11 H LEU 3 H LEU 3 1.222 -3.112 -7.827 12 HA LEU 3 HA LEU 3 3.479 -3.416 -7.783 13 HB2 LEU 3 HB2 LEU 3 3.204 -0.982 -7.190 14 HB3 LEU 3 HB3 LEU 3 3.421 -1.450 -5.505 15 HG LEU 3 HG LEU 3 5.672 -2.396 -6.212 16 HD11 LEU 3 HD11 LEU 3 6.397 -0.875 -8.313 17 HD12 LEU 3 HD12 LEU 3 4.728 -1.241 -8.750 18 HD13 LEU 3 HD13 LEU 3 5.868 -2.552 -8.449 19 HD21 LEU 3 HD21 LEU 3 4.875 0.436 -5.962 20 HD22 LEU 3 HD22 LEU 3 6.503 0.130 -6.567 21 HD23 LEU 3 HD23 LEU 3 6.008 -0.517 -5.002 22 H GLY 4 H GLY 4 3.007 -5.608 -6.926 23 HA2 GLY 4 HA2 GLY 4 4.660 -6.112 -4.628 24 HA3 GLY 4 HA3 GLY 4 2.958 -6.427 -4.325 25 H SER 5 H SER 5 5.056 -8.357 -4.247 26 HA SER 5 HA SER 5 4.088 -10.164 -6.350 27 HB2 SER 5 HB2 SER 5 6.222 -9.546 -7.185 28 HB3 SER 5 HB3 SER 5 6.960 -9.639 -5.587 29 HG SER 5 HG SER 5 6.851 -11.531 -7.399 30 H GLU 6 H GLU 6 2.714 -10.977 -4.663 31 HA GLU 6 HA GLU 6 4.134 -12.835 -2.883 32 HB2 GLU 6 HB2 GLU 6 2.228 -12.415 -1.229 33 HB3 GLU 6 HB3 GLU 6 3.458 -11.167 -1.374 34 HG2 GLU 6 HG2 GLU 6 2.014 -9.818 -2.730 35 HG3 GLU 6 HG3 GLU 6 0.806 -11.100 -2.791 36 H ALA 7 H ALA 7 2.722 -14.620 -2.105 37 HA ALA 7 HA ALA 7 0.380 -15.192 -3.726 38 HB1 ALA 7 HB1 ALA 7 1.386 -17.489 -4.285 39 HB2 ALA 7 HB2 ALA 7 1.910 -16.096 -5.233 40 HB3 ALA 7 HB3 ALA 7 2.943 -16.729 -3.951 41 H ASP 8 H ASP 8 -0.181 -17.705 -3.153 42 HA ASP 8 HA ASP 8 0.024 -17.934 -0.223 43 HB2 ASP 8 HB2 ASP 8 -2.331 -17.630 -1.863 44 HB3 ASP 8 HB3 ASP 8 -2.379 -19.169 -1.008 45 HA PRO 9 HA PRO 9 1.282 -22.104 -0.729 46 HB2 PRO 9 HB2 PRO 9 0.026 -23.348 1.331 47 HB3 PRO 9 HB3 PRO 9 1.391 -22.249 1.561 48 HG2 PRO 9 HG2 PRO 9 -1.539 -21.718 1.865 49 HG3 PRO 9 HG3 PRO 9 -0.196 -21.210 2.906 50 HD2 PRO 9 HD2 PRO 9 -1.350 -19.552 1.102 51 HD3 PRO 9 HD3 PRO 9 0.371 -19.451 1.529 52 H ARG 10 H ARG 10 -2.192 -21.591 -0.361 53 HA ARG 10 HA ARG 10 -2.800 -24.151 -1.599 54 HB2 ARG 10 HB2 ARG 10 -4.356 -22.037 -0.197 55 HB3 ARG 10 HB3 ARG 10 -5.210 -23.026 -1.374 56 HG2 ARG 10 HG2 ARG 10 -5.510 -24.023 0.758 57 HG3 ARG 10 HG3 ARG 10 -4.394 -25.045 -0.150 58 HD2 ARG 10 HD2 ARG 10 -2.518 -24.182 1.047 59 HD3 ARG 10 HD3 ARG 10 -3.506 -22.933 1.805 60 HE ARG 10 HE ARG 10 -4.155 -24.461 3.375 61 HH11 ARG 10 HH11 ARG 10 -2.824 -26.152 0.638 62 HH12 ARG 10 HH12 ARG 10 -2.867 -27.703 1.410 63 HH21 ARG 10 HH21 ARG 10 -4.217 -26.497 4.402 64 HH22 ARG 10 HH22 ARG 10 -3.661 -27.898 3.550 65 H LEU 11 H LEU 11 -1.647 -21.491 -2.857 66 HA LEU 11 HA LEU 11 -3.435 -21.527 -5.199 67 HB2 LEU 11 HB2 LEU 11 -3.549 -19.372 -4.206 68 HB3 LEU 11 HB3 LEU 11 -1.797 -19.293 -4.027 69 HG LEU 11 HG LEU 11 -1.680 -19.270 -6.560 70 HD11 LEU 11 HD11 LEU 11 -3.996 -18.143 -7.336 71 HD12 LEU 11 HD12 LEU 11 -4.596 -19.295 -6.144 72 HD13 LEU 11 HD13 LEU 11 -3.635 -19.861 -7.510 73 HD21 LEU 11 HD21 LEU 11 -1.948 -17.249 -4.709 74 HD22 LEU 11 HD22 LEU 11 -3.135 -16.827 -5.944 75 HD23 LEU 11 HD23 LEU 11 -1.444 -17.058 -6.388 76 H ILE 12 H ILE 12 -0.060 -21.035 -4.188 77 HA ILE 12 HA ILE 12 1.172 -21.073 -6.655 78 HB ILE 12 HB ILE 12 3.185 -21.907 -5.523 79 HG12 ILE 12 HG12 ILE 12 2.566 -22.036 -2.848 80 HG13 ILE 12 HG13 ILE 12 1.183 -22.836 -3.587 81 HG21 ILE 12 HG21 ILE 12 2.873 -20.167 -3.471 82 HG22 ILE 12 HG22 ILE 12 3.220 -19.694 -5.134 83 HG23 ILE 12 HG23 ILE 12 1.560 -19.668 -4.538 84 HD11 ILE 12 HD11 ILE 12 2.446 -24.666 -3.516 85 HD12 ILE 12 HD12 ILE 12 3.285 -23.976 -4.905 86 HD13 ILE 12 HD13 ILE 12 3.930 -23.744 -3.280 87 H GLU 13 H GLU 13 -0.182 -23.723 -4.837 88 HA GLU 13 HA GLU 13 1.068 -25.903 -5.996 89 HB2 GLU 13 HB2 GLU 13 -1.015 -27.156 -5.485 90 HB3 GLU 13 HB3 GLU 13 -0.443 -26.182 -4.138 91 HG2 GLU 13 HG2 GLU 13 -2.575 -25.528 -4.011 92 HG3 GLU 13 HG3 GLU 13 -2.133 -24.442 -5.327 93 H SER 14 H SER 14 -1.689 -24.027 -7.179 94 HA SER 14 HA SER 14 -2.118 -25.669 -9.477 95 HB2 SER 14 HB2 SER 14 -3.074 -22.898 -8.742 96 HB3 SER 14 HB3 SER 14 -3.547 -23.717 -10.230 97 HG SER 14 HG SER 14 -4.774 -23.920 -8.005 98 H LEU 15 H LEU 15 -0.656 -22.461 -8.995 99 HA LEU 15 HA LEU 15 0.021 -21.846 -11.587 100 HB2 LEU 15 HB2 LEU 15 1.476 -21.303 -9.013 101 HB3 LEU 15 HB3 LEU 15 1.999 -20.636 -10.558 102 HG LEU 15 HG LEU 15 -0.801 -20.085 -10.038 103 HD11 LEU 15 HD11 LEU 15 1.237 -19.208 -8.005 104 HD12 LEU 15 HD12 LEU 15 -0.270 -20.080 -7.725 105 HD13 LEU 15 HD13 LEU 15 -0.310 -18.396 -8.248 106 HD21 LEU 15 HD21 LEU 15 -0.289 -18.152 -11.077 107 HD22 LEU 15 HD22 LEU 15 1.173 -19.023 -11.539 108 HD23 LEU 15 HD23 LEU 15 1.200 -17.926 -10.158 109 H SER 16 H SER 16 1.785 -23.893 -9.303 110 HA SER 16 HA SER 16 4.118 -24.322 -10.715 111 HB2 SER 16 HB2 SER 16 3.052 -25.324 -8.406 112 HB3 SER 16 HB3 SER 16 3.021 -26.746 -9.448 113 HG SER 16 HG SER 16 5.033 -26.118 -8.138 114 H GLN 17 H GLN 17 0.927 -25.598 -11.295 115 HA GLN 17 HA GLN 17 1.860 -27.544 -13.228 116 HB2 GLN 17 HB2 GLN 17 -1.001 -26.723 -12.780 117 HB3 GLN 17 HB3 GLN 17 -0.391 -28.249 -13.406 118 HG2 GLN 17 HG2 GLN 17 0.726 -27.945 -10.849 119 HG3 GLN 17 HG3 GLN 17 -0.973 -27.496 -10.710 120 HE21 GLN 17 HE21 GLN 17 -2.093 -29.156 -12.602 121 HE22 GLN 17 HE22 GLN 17 -1.925 -30.798 -12.092 122 H MET 18 H MET 18 0.252 -24.406 -13.207 123 HA MET 18 HA MET 18 -0.279 -24.306 -15.989 124 HB2 MET 18 HB2 MET 18 0.119 -21.961 -14.127 125 HB3 MET 18 HB3 MET 18 -0.768 -21.972 -15.646 126 HG2 MET 18 HG2 MET 18 -1.799 -23.961 -13.834 127 HG3 MET 18 HG3 MET 18 -1.788 -22.363 -13.090 128 HE1 MET 18 HE1 MET 18 -3.788 -23.513 -17.022 129 HE2 MET 18 HE2 MET 18 -2.442 -22.384 -17.183 130 HE3 MET 18 HE3 MET 18 -2.184 -23.964 -16.444 131 H LEU 19 H LEU 19 2.190 -22.590 -14.062 132 HA LEU 19 HA LEU 19 3.619 -21.525 -16.194 133 HB2 LEU 19 HB2 LEU 19 4.838 -22.449 -13.603 134 HB3 LEU 19 HB3 LEU 19 5.410 -21.162 -14.662 135 HG LEU 19 HG LEU 19 2.877 -21.094 -13.022 136 HD11 LEU 19 HD11 LEU 19 4.692 -19.059 -12.310 137 HD12 LEU 19 HD12 LEU 19 5.596 -20.572 -12.331 138 HD13 LEU 19 HD13 LEU 19 4.147 -20.425 -11.336 139 HD21 LEU 19 HD21 LEU 19 2.785 -19.832 -15.160 140 HD22 LEU 19 HD22 LEU 19 4.187 -18.904 -14.627 141 HD23 LEU 19 HD23 LEU 19 2.673 -18.808 -13.728 142 H SER 20 H SER 20 3.680 -24.729 -14.813 143 HA SER 20 HA SER 20 6.071 -25.519 -16.227 144 HB2 SER 20 HB2 SER 20 5.475 -26.487 -14.015 145 HB3 SER 20 HB3 SER 20 4.062 -27.240 -14.753 146 HG SER 20 HG SER 20 6.003 -28.583 -14.578 147 H MET 21 H MET 21 2.638 -25.601 -16.733 148 HA MET 21 HA MET 21 2.696 -27.574 -18.815 149 HB2 MET 21 HB2 MET 21 0.663 -25.840 -17.548 150 HB3 MET 21 HB3 MET 21 0.349 -26.289 -19.218 151 HG2 MET 21 HG2 MET 21 0.620 -28.664 -18.584 152 HG3 MET 21 HG3 MET 21 0.798 -28.158 -16.905 153 HE1 MET 21 HE1 MET 21 -1.161 -26.664 -15.667 154 HE2 MET 21 HE2 MET 21 -1.296 -25.625 -17.087 155 HE3 MET 21 HE3 MET 21 -2.738 -26.376 -16.404 156 H GLY 22 H GLY 22 2.936 -24.090 -18.629 157 HA2 GLY 22 HA2 GLY 22 4.309 -23.324 -20.672 158 HA3 GLY 22 HA3 GLY 22 2.920 -23.922 -21.568 159 H PHE 23 H PHE 23 2.983 -22.138 -18.507 160 HA PHE 23 HA PHE 23 1.719 -19.862 -19.869 161 HB2 PHE 23 HB2 PHE 23 0.767 -21.183 -17.321 162 HB3 PHE 23 HB3 PHE 23 0.185 -19.627 -17.904 163 HD1 PHE 23 HD1 PHE 23 -1.172 -19.492 -19.939 164 HD2 PHE 23 HD2 PHE 23 0.051 -23.231 -18.314 165 HE1 PHE 23 HE1 PHE 23 -2.868 -20.636 -21.305 166 HE2 PHE 23 HE2 PHE 23 -1.642 -24.381 -19.678 167 HZ PHE 23 HZ PHE 23 -3.104 -23.085 -21.177 168 H SER 24 H SER 24 1.455 -18.032 -18.049 169 HA SER 24 HA SER 24 3.810 -17.924 -16.335 170 HB2 SER 24 HB2 SER 24 3.284 -15.700 -18.309 171 HB3 SER 24 HB3 SER 24 4.691 -15.913 -17.268 172 HG SER 24 HG SER 24 5.543 -17.051 -18.799 173 H ASP 25 H ASP 25 3.744 -15.317 -15.573 174 HA ASP 25 HA ASP 25 0.988 -14.867 -14.645 175 HB2 ASP 25 HB2 ASP 25 1.960 -14.143 -12.446 176 HB3 ASP 25 HB3 ASP 25 2.133 -15.863 -12.785 177 H GLU 26 H GLU 26 2.310 -13.618 -16.839 178 HA GLU 26 HA GLU 26 3.548 -11.204 -16.339 179 HB2 GLU 26 HB2 GLU 26 2.527 -10.449 -18.512 180 HB3 GLU 26 HB3 GLU 26 3.390 -11.979 -18.586 181 HG2 GLU 26 HG2 GLU 26 1.199 -13.144 -18.366 182 HG3 GLU 26 HG3 GLU 26 0.412 -11.572 -18.503 183 H GLY 27 H GLY 27 2.931 -9.617 -15.031 184 HA2 GLY 27 HA2 GLY 27 1.623 -7.832 -14.320 185 HA3 GLY 27 HA3 GLY 27 0.324 -8.410 -15.353 186 H GLY 28 H GLY 28 -0.321 -10.823 -14.493 187 HA2 GLY 28 HA2 GLY 28 -0.401 -11.816 -12.084 188 HA3 GLY 28 HA3 GLY 28 -1.232 -10.303 -11.752 189 H TRP 29 H TRP 29 -1.428 -12.576 -14.484 190 HA TRP 29 HA TRP 29 -4.338 -12.515 -14.247 191 HB2 TRP 29 HB2 TRP 29 -4.420 -13.346 -16.467 192 HB3 TRP 29 HB3 TRP 29 -3.121 -12.157 -16.453 193 HD1 TRP 29 HD1 TRP 29 -0.597 -13.097 -16.634 194 HE1 TRP 29 HE1 TRP 29 0.323 -15.305 -17.586 195 HE3 TRP 29 HE3 TRP 29 -4.931 -15.807 -16.734 196 HZ2 TRP 29 HZ2 TRP 29 -0.658 -17.857 -18.286 197 HZ3 TRP 29 HZ3 TRP 29 -4.854 -18.124 -17.559 198 HH2 TRP 29 HH2 TRP 29 -2.761 -19.126 -18.319 199 H LEU 30 H LEU 30 -1.676 -14.535 -13.520 200 HA LEU 30 HA LEU 30 -3.405 -16.896 -13.283 201 HB2 LEU 30 HB2 LEU 30 -1.157 -16.929 -14.518 202 HB3 LEU 30 HB3 LEU 30 -0.427 -16.860 -12.915 203 HG LEU 30 HG LEU 30 -1.576 -18.977 -12.345 204 HD11 LEU 30 HD11 LEU 30 -2.135 -19.638 -15.143 205 HD12 LEU 30 HD12 LEU 30 -3.210 -18.426 -14.447 206 HD13 LEU 30 HD13 LEU 30 -3.050 -20.007 -13.681 207 HD21 LEU 30 HD21 LEU 30 0.693 -18.583 -13.882 208 HD22 LEU 30 HD22 LEU 30 -0.194 -19.843 -14.740 209 HD23 LEU 30 HD23 LEU 30 0.236 -20.067 -13.044 210 H THR 31 H THR 31 -2.577 -14.366 -11.455 211 HA THR 31 HA THR 31 -2.005 -15.827 -8.997 212 HB THR 31 HB THR 31 -0.747 -13.776 -9.363 213 HG1 THR 31 HG1 THR 31 -1.057 -12.987 -7.331 214 HG21 THR 31 HG21 THR 31 -1.634 -11.867 -10.120 215 HG22 THR 31 HG22 THR 31 -2.925 -11.901 -8.920 216 HG23 THR 31 HG23 THR 31 -3.103 -12.791 -10.431 217 H ARG 32 H ARG 32 -4.657 -14.407 -10.664 218 HA ARG 32 HA ARG 32 -6.345 -14.739 -8.271 219 HB2 ARG 32 HB2 ARG 32 -6.819 -12.882 -10.610 220 HB3 ARG 32 HB3 ARG 32 -7.837 -13.038 -9.185 221 HG2 ARG 32 HG2 ARG 32 -5.022 -12.405 -8.641 222 HG3 ARG 32 HG3 ARG 32 -5.927 -11.158 -9.501 223 HD2 ARG 32 HD2 ARG 32 -7.587 -12.121 -7.427 224 HD3 ARG 32 HD3 ARG 32 -5.992 -11.842 -6.729 225 HE ARG 32 HE ARG 32 -6.291 -9.586 -7.017 226 HH11 ARG 32 HH11 ARG 32 -8.705 -11.316 -8.835 227 HH12 ARG 32 HH12 ARG 32 -9.618 -9.896 -9.223 228 HH21 ARG 32 HH21 ARG 32 -7.485 -7.709 -7.521 229 HH22 ARG 32 HH22 ARG 32 -8.923 -7.844 -8.476 230 H LEU 33 H LEU 33 -5.869 -15.473 -11.628 231 HA LEU 33 HA LEU 33 -8.356 -16.350 -12.431 232 HB2 LEU 33 HB2 LEU 33 -6.718 -16.332 -14.075 233 HB3 LEU 33 HB3 LEU 33 -5.575 -17.235 -13.082 234 HG LEU 33 HG LEU 33 -6.820 -19.281 -13.454 235 HD11 LEU 33 HD11 LEU 33 -9.055 -18.748 -13.610 236 HD12 LEU 33 HD12 LEU 33 -8.653 -19.096 -15.291 237 HD13 LEU 33 HD13 LEU 33 -8.772 -17.424 -14.741 238 HD21 LEU 33 HD21 LEU 33 -5.326 -19.285 -15.137 239 HD22 LEU 33 HD22 LEU 33 -5.765 -17.662 -15.673 240 HD23 LEU 33 HD23 LEU 33 -6.754 -19.044 -16.144 241 H LEU 34 H LEU 34 -5.836 -18.253 -10.786 242 HA LEU 34 HA LEU 34 -7.301 -20.639 -10.604 243 HB2 LEU 34 HB2 LEU 34 -5.034 -19.512 -8.990 244 HB3 LEU 34 HB3 LEU 34 -5.734 -21.091 -8.640 245 HG LEU 34 HG LEU 34 -3.765 -21.446 -9.923 246 HD11 LEU 34 HD11 LEU 34 -5.931 -21.673 -11.978 247 HD12 LEU 34 HD12 LEU 34 -5.948 -22.666 -10.521 248 HD13 LEU 34 HD13 LEU 34 -4.592 -22.771 -11.644 249 HD21 LEU 34 HD21 LEU 34 -4.054 -18.991 -10.911 250 HD22 LEU 34 HD22 LEU 34 -4.703 -19.905 -12.273 251 HD23 LEU 34 HD23 LEU 34 -3.064 -20.220 -11.701 252 H GLN 35 H GLN 35 -6.941 -17.955 -8.308 253 HA GLN 35 HA GLN 35 -8.385 -18.991 -6.183 254 HB2 GLN 35 HB2 GLN 35 -8.134 -16.144 -7.156 255 HB3 GLN 35 HB3 GLN 35 -8.889 -16.582 -5.629 256 HG2 GLN 35 HG2 GLN 35 -6.860 -17.389 -4.742 257 HG3 GLN 35 HG3 GLN 35 -6.076 -17.365 -6.321 258 HE21 GLN 35 HE21 GLN 35 -4.965 -16.161 -4.093 259 HE22 GLN 35 HE22 GLN 35 -4.956 -14.449 -4.321 260 H THR 36 H THR 36 -9.520 -17.502 -9.152 261 HA THR 36 HA THR 36 -12.260 -17.345 -8.315 262 HB THR 36 HB THR 36 -12.298 -17.294 -11.084 263 HG1 THR 36 HG1 THR 36 -10.289 -16.962 -11.658 264 HG21 THR 36 HG21 THR 36 -12.120 -14.719 -10.621 265 HG22 THR 36 HG22 THR 36 -12.163 -15.225 -8.933 266 HG23 THR 36 HG23 THR 36 -13.495 -15.638 -10.011 267 H LYS 37 H LYS 37 -10.241 -19.795 -9.604 268 HA LYS 37 HA LYS 37 -12.572 -21.422 -10.359 269 HB2 LYS 37 HB2 LYS 37 -9.650 -21.833 -11.022 270 HB3 LYS 37 HB3 LYS 37 -10.977 -22.848 -11.570 271 HG2 LYS 37 HG2 LYS 37 -10.493 -19.965 -12.286 272 HG3 LYS 37 HG3 LYS 37 -10.318 -21.369 -13.341 273 HD2 LYS 37 HD2 LYS 37 -12.827 -21.776 -12.722 274 HD3 LYS 37 HD3 LYS 37 -12.800 -20.059 -12.315 275 HE2 LYS 37 HE2 LYS 37 -12.476 -19.410 -14.487 276 HE3 LYS 37 HE3 LYS 37 -11.659 -20.909 -14.927 277 HZ1 LYS 37 HZ1 LYS 37 -14.496 -20.275 -14.921 278 HZ2 LYS 37 HZ2 LYS 37 -14.086 -21.829 -14.394 279 HZ3 LYS 37 HZ3 LYS 37 -13.619 -21.309 -15.933 280 H ASN 38 H ASN 38 -11.145 -20.840 -7.649 281 HA ASN 38 HA ASN 38 -10.800 -21.959 -5.700 282 HB2 ASN 38 HB2 ASN 38 -12.049 -24.378 -6.999 283 HB3 ASN 38 HB3 ASN 38 -12.044 -23.940 -5.293 284 HD21 ASN 38 HD21 ASN 38 -13.727 -23.801 -8.197 285 HD22 ASN 38 HD22 ASN 38 -14.972 -22.705 -7.716 286 H TYR 39 H TYR 39 -8.666 -21.884 -7.472 287 HA TYR 39 HA TYR 39 -6.623 -22.800 -7.869 288 HB2 TYR 39 HB2 TYR 39 -7.214 -24.771 -5.667 289 HB3 TYR 39 HB3 TYR 39 -5.655 -24.113 -6.153 290 HD1 TYR 39 HD1 TYR 39 -5.885 -21.306 -6.152 291 HD2 TYR 39 HD2 TYR 39 -7.805 -24.076 -3.555 292 HE1 TYR 39 HE1 TYR 39 -6.087 -19.552 -4.440 293 HE2 TYR 39 HE2 TYR 39 -8.013 -22.329 -1.836 294 HH TYR 39 HH TYR 39 -6.343 -19.386 -1.995 295 H ASP 40 H ASP 40 -8.318 -23.633 -9.694 296 HA ASP 40 HA ASP 40 -8.065 -26.558 -9.856 297 HB2 ASP 40 HB2 ASP 40 -10.085 -24.629 -10.768 298 HB3 ASP 40 HB3 ASP 40 -9.652 -25.837 -11.975 299 H ILE 41 H ILE 41 -7.233 -27.538 -11.723 300 HA ILE 41 HA ILE 41 -5.407 -25.815 -13.239 301 HB ILE 41 HB ILE 41 -5.340 -28.812 -13.314 302 HG12 ILE 41 HG12 ILE 41 -5.352 -28.277 -10.949 303 HG13 ILE 41 HG13 ILE 41 -3.721 -28.735 -11.427 304 HG21 ILE 41 HG21 ILE 41 -3.474 -28.499 -14.479 305 HG22 ILE 41 HG22 ILE 41 -3.856 -26.779 -14.515 306 HG23 ILE 41 HG23 ILE 41 -2.816 -27.425 -13.245 307 HD11 ILE 41 HD11 ILE 41 -3.700 -26.838 -9.917 308 HD12 ILE 41 HD12 ILE 41 -3.084 -26.384 -11.505 309 HD13 ILE 41 HD13 ILE 41 -4.719 -25.925 -11.029 310 H GLY 42 H GLY 42 -8.105 -28.004 -13.589 311 HA2 GLY 42 HA2 GLY 42 -7.888 -28.124 -16.474 312 HA3 GLY 42 HA3 GLY 42 -9.169 -28.818 -15.492 313 H ALA 43 H ALA 43 -9.348 -26.040 -14.173 314 HA ALA 43 HA ALA 43 -11.312 -25.017 -16.063 315 HB1 ALA 43 HB1 ALA 43 -12.288 -23.892 -14.295 316 HB2 ALA 43 HB2 ALA 43 -11.637 -25.330 -13.508 317 HB3 ALA 43 HB3 ALA 43 -10.779 -23.794 -13.388 318 H ALA 44 H ALA 44 -8.267 -24.084 -14.577 319 HA ALA 44 HA ALA 44 -8.311 -21.413 -15.643 320 HB1 ALA 44 HB1 ALA 44 -6.229 -23.047 -14.223 321 HB2 ALA 44 HB2 ALA 44 -5.877 -21.449 -14.881 322 HB3 ALA 44 HB3 ALA 44 -7.114 -21.638 -13.638 323 H LEU 45 H LEU 45 -7.587 -24.470 -16.895 324 HA LEU 45 HA LEU 45 -5.552 -23.674 -18.752 325 HB2 LEU 45 HB2 LEU 45 -7.142 -26.122 -18.222 326 HB3 LEU 45 HB3 LEU 45 -6.441 -25.940 -19.829 327 HG LEU 45 HG LEU 45 -4.836 -25.827 -17.279 328 HD11 LEU 45 HD11 LEU 45 -4.411 -28.071 -17.395 329 HD12 LEU 45 HD12 LEU 45 -4.779 -28.167 -19.117 330 HD13 LEU 45 HD13 LEU 45 -6.088 -28.041 -17.941 331 HD21 LEU 45 HD21 LEU 45 -4.194 -24.962 -19.793 332 HD22 LEU 45 HD22 LEU 45 -3.570 -26.611 -19.794 333 HD23 LEU 45 HD23 LEU 45 -3.037 -25.467 -18.561 334 H ASP 46 H ASP 46 -9.009 -23.667 -18.695 335 HA ASP 46 HA ASP 46 -9.104 -23.072 -21.572 336 HB2 ASP 46 HB2 ASP 46 -10.706 -24.722 -19.991 337 HB3 ASP 46 HB3 ASP 46 -11.692 -23.289 -20.273 338 H THR 47 H THR 47 -8.282 -21.241 -19.353 339 HA THR 47 HA THR 47 -10.365 -19.181 -19.655 340 HB THR 47 HB THR 47 -8.149 -19.058 -17.624 341 HG1 THR 47 HG1 THR 47 -10.622 -20.447 -17.479 342 HG21 THR 47 HG21 THR 47 -10.809 -17.732 -18.021 343 HG22 THR 47 HG22 THR 47 -9.231 -16.997 -17.741 344 HG23 THR 47 HG23 THR 47 -10.073 -17.810 -16.421 345 H ILE 48 H ILE 48 -7.763 -20.059 -21.230 346 HA ILE 48 HA ILE 48 -6.740 -17.313 -21.557 347 HB ILE 48 HB ILE 48 -5.095 -19.615 -22.467 348 HG12 ILE 48 HG12 ILE 48 -4.090 -19.407 -20.007 349 HG13 ILE 48 HG13 ILE 48 -5.761 -19.008 -19.625 350 HG21 ILE 48 HG21 ILE 48 -4.793 -16.800 -21.937 351 HG22 ILE 48 HG22 ILE 48 -3.580 -17.738 -21.066 352 HG23 ILE 48 HG23 ILE 48 -3.728 -17.897 -22.816 353 HD11 ILE 48 HD11 ILE 48 -6.383 -21.129 -19.760 354 HD12 ILE 48 HD12 ILE 48 -5.577 -21.346 -21.314 355 HD13 ILE 48 HD13 ILE 48 -4.667 -21.533 -19.814 356 H GLN 49 H GLN 49 -7.961 -20.176 -23.107 357 HA GLN 49 HA GLN 49 -7.270 -19.776 -25.746 358 HB2 GLN 49 HB2 GLN 49 -9.901 -20.796 -24.662 359 HB3 GLN 49 HB3 GLN 49 -9.344 -20.996 -26.319 360 HG2 GLN 49 HG2 GLN 49 -7.278 -21.965 -24.702 361 HG3 GLN 49 HG3 GLN 49 -8.773 -22.578 -23.998 362 HE21 GLN 49 HE21 GLN 49 -6.523 -23.815 -25.578 363 HE22 GLN 49 HE22 GLN 49 -7.318 -24.686 -26.840 364 H TYR 50 H TYR 50 -9.584 -18.053 -23.799 365 HA TYR 50 HA TYR 50 -9.830 -16.024 -25.838 366 HB2 TYR 50 HB2 TYR 50 -12.295 -16.074 -25.887 367 HB3 TYR 50 HB3 TYR 50 -11.597 -17.557 -26.528 368 HD1 TYR 50 HD1 TYR 50 -11.624 -19.629 -25.129 369 HD2 TYR 50 HD2 TYR 50 -13.718 -16.105 -23.988 370 HE1 TYR 50 HE1 TYR 50 -12.981 -20.950 -23.560 371 HE2 TYR 50 HE2 TYR 50 -15.080 -17.417 -22.414 372 HH TYR 50 HH TYR 50 -15.507 -19.425 -21.579 373 H SER 51 H SER 51 -10.859 -17.245 -22.688 374 HA SER 51 HA SER 51 -11.934 -14.981 -21.557 375 HB2 SER 51 HB2 SER 51 -10.607 -17.406 -20.541 376 HB3 SER 51 HB3 SER 51 -10.553 -16.029 -19.441 377 HG SER 51 HG SER 51 -12.792 -15.922 -19.515 378 H LYS 52 H LYS 52 -8.509 -15.897 -21.726 379 HA LYS 52 HA LYS 52 -7.812 -13.150 -20.919 380 HB2 LYS 52 HB2 LYS 52 -6.651 -15.787 -20.273 381 HB3 LYS 52 HB3 LYS 52 -5.485 -14.520 -20.630 382 HG2 LYS 52 HG2 LYS 52 -7.698 -14.125 -18.644 383 HG3 LYS 52 HG3 LYS 52 -6.150 -14.849 -18.200 384 HD2 LYS 52 HD2 LYS 52 -4.974 -12.889 -18.604 385 HD3 LYS 52 HD3 LYS 52 -6.230 -12.235 -19.658 386 HE2 LYS 52 HE2 LYS 52 -6.843 -12.740 -16.781 387 HE3 LYS 52 HE3 LYS 52 -5.912 -11.311 -17.227 388 HZ1 LYS 52 HZ1 LYS 52 -7.736 -10.740 -18.782 389 HZ2 LYS 52 HZ2 LYS 52 -8.205 -10.726 -17.156 390 HZ3 LYS 52 HZ3 LYS 52 -8.640 -12.023 -18.151 391 H HIS 53 H HIS 53 -7.547 -15.566 -23.366 392 HA HIS 53 HA HIS 53 -6.267 -13.649 -25.132 393 HB2 HIS 53 HB2 HIS 53 -4.713 -15.602 -23.871 394 HB3 HIS 53 HB3 HIS 53 -4.994 -16.228 -25.493 395 HD1 HIS 53 HD1 HIS 53 -3.500 -15.350 -27.272 396 HD2 HIS 53 HD2 HIS 53 -3.551 -12.893 -23.922 397 HE1 HIS 53 HE1 HIS 53 -1.765 -13.583 -27.708 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 0.018 -0.592 -10.997 2 HA2 GLY 1 HA2 GLY 1 -2.315 0.937 -10.478 3 HA3 GLY 1 HA3 GLY 1 -2.462 0.122 -12.027 4 HA PRO 2 HA PRO 2 -3.737 -3.592 -10.091 5 HB2 PRO 2 HB2 PRO 2 -2.427 -5.515 -11.490 6 HB3 PRO 2 HB3 PRO 2 -3.766 -4.579 -12.165 7 HG2 PRO 2 HG2 PRO 2 -0.819 -4.203 -12.530 8 HG3 PRO 2 HG3 PRO 2 -2.115 -4.118 -13.737 9 HD2 PRO 2 HD2 PRO 2 -1.001 -1.909 -12.636 10 HD3 PRO 2 HD3 PRO 2 -2.704 -1.971 -13.137 11 H LEU 3 H LEU 3 -3.182 -5.182 -8.586 12 HA LEU 3 HA LEU 3 -0.532 -4.847 -7.404 13 HB2 LEU 3 HB2 LEU 3 -3.187 -5.740 -6.445 14 HB3 LEU 3 HB3 LEU 3 -1.776 -6.469 -5.679 15 HG LEU 3 HG LEU 3 -2.276 -3.498 -5.832 16 HD11 LEU 3 HD11 LEU 3 -4.005 -4.375 -4.476 17 HD12 LEU 3 HD12 LEU 3 -2.768 -3.771 -3.375 18 HD13 LEU 3 HD13 LEU 3 -2.908 -5.502 -3.679 19 HD21 LEU 3 HD21 LEU 3 -0.534 -4.635 -3.765 20 HD22 LEU 3 HD22 LEU 3 -0.318 -3.207 -4.778 21 HD23 LEU 3 HD23 LEU 3 0.071 -4.806 -5.413 22 H GLY 4 H GLY 4 1.020 -6.209 -7.984 23 HA2 GLY 4 HA2 GLY 4 0.340 -9.056 -8.291 24 HA3 GLY 4 HA3 GLY 4 1.258 -8.246 -9.552 25 H SER 5 H SER 5 1.316 -9.446 -6.272 26 HA SER 5 HA SER 5 4.123 -9.943 -6.413 27 HB2 SER 5 HB2 SER 5 5.000 -8.360 -4.988 28 HB3 SER 5 HB3 SER 5 3.724 -7.403 -5.741 29 HG SER 5 HG SER 5 3.965 -8.295 -3.152 30 H GLU 6 H GLU 6 4.876 -11.257 -4.705 31 HA GLU 6 HA GLU 6 4.714 -12.872 -3.112 32 HB2 GLU 6 HB2 GLU 6 3.429 -10.663 -2.048 33 HB3 GLU 6 HB3 GLU 6 2.253 -11.953 -1.840 34 HG2 GLU 6 HG2 GLU 6 3.367 -12.291 0.076 35 HG3 GLU 6 HG3 GLU 6 4.460 -13.204 -0.964 36 H ALA 7 H ALA 7 3.206 -14.602 -2.224 37 HA ALA 7 HA ALA 7 0.872 -15.115 -3.891 38 HB1 ALA 7 HB1 ALA 7 3.357 -16.791 -3.925 39 HB2 ALA 7 HB2 ALA 7 1.777 -17.485 -4.293 40 HB3 ALA 7 HB3 ALA 7 2.415 -16.171 -5.282 41 H ASP 8 H ASP 8 0.157 -17.565 -3.221 42 HA ASP 8 HA ASP 8 0.229 -17.654 -0.277 43 HB2 ASP 8 HB2 ASP 8 -2.037 -17.312 -2.030 44 HB3 ASP 8 HB3 ASP 8 -2.204 -18.801 -1.103 45 HA PRO 9 HA PRO 9 1.280 -21.904 -0.524 46 HB2 PRO 9 HB2 PRO 9 -0.125 -22.974 1.538 47 HB3 PRO 9 HB3 PRO 9 1.288 -21.937 1.773 48 HG2 PRO 9 HG2 PRO 9 -1.619 -21.240 1.924 49 HG3 PRO 9 HG3 PRO 9 -0.294 -20.750 2.996 50 HD2 PRO 9 HD2 PRO 9 -1.283 -19.128 1.066 51 HD3 PRO 9 HD3 PRO 9 0.422 -19.095 1.560 52 H ARG 10 H ARG 10 -2.177 -21.203 -0.315 53 HA ARG 10 HA ARG 10 -2.867 -23.783 -1.464 54 HB2 ARG 10 HB2 ARG 10 -4.310 -21.599 -0.107 55 HB3 ARG 10 HB3 ARG 10 -5.207 -22.393 -1.395 56 HG2 ARG 10 HG2 ARG 10 -5.786 -23.556 0.544 57 HG3 ARG 10 HG3 ARG 10 -4.592 -24.583 -0.251 58 HD2 ARG 10 HD2 ARG 10 -2.885 -23.908 1.252 59 HD3 ARG 10 HD3 ARG 10 -3.876 -22.601 1.896 60 HE ARG 10 HE ARG 10 -5.310 -24.845 2.446 61 HH11 ARG 10 HH11 ARG 10 -2.048 -23.817 3.097 62 HH12 ARG 10 HH12 ARG 10 -1.921 -24.715 4.573 63 HH21 ARG 10 HH21 ARG 10 -5.154 -26.033 4.388 64 HH22 ARG 10 HH22 ARG 10 -3.687 -25.976 5.305 65 H LEU 11 H LEU 11 -1.543 -21.232 -2.788 66 HA LEU 11 HA LEU 11 -3.241 -21.292 -5.196 67 HB2 LEU 11 HB2 LEU 11 -3.280 -19.091 -4.303 68 HB3 LEU 11 HB3 LEU 11 -1.534 -19.091 -4.060 69 HG LEU 11 HG LEU 11 -1.319 -19.186 -6.583 70 HD11 LEU 11 HD11 LEU 11 -3.260 -19.731 -7.586 71 HD12 LEU 11 HD12 LEU 11 -3.548 -17.993 -7.503 72 HD13 LEU 11 HD13 LEU 11 -4.247 -19.061 -6.287 73 HD21 LEU 11 HD21 LEU 11 -1.783 -17.027 -4.814 74 HD22 LEU 11 HD22 LEU 11 -2.587 -16.650 -6.337 75 HD23 LEU 11 HD23 LEU 11 -0.865 -17.032 -6.321 76 H ILE 12 H ILE 12 0.109 -20.983 -4.051 77 HA ILE 12 HA ILE 12 1.428 -21.180 -6.478 78 HB ILE 12 HB ILE 12 3.351 -22.066 -5.225 79 HG12 ILE 12 HG12 ILE 12 2.670 -22.013 -2.580 80 HG13 ILE 12 HG13 ILE 12 1.225 -22.720 -3.293 81 HG21 ILE 12 HG21 ILE 12 3.520 -19.845 -4.952 82 HG22 ILE 12 HG22 ILE 12 1.834 -19.676 -4.465 83 HG23 ILE 12 HG23 ILE 12 3.045 -20.184 -3.288 84 HD11 ILE 12 HD11 ILE 12 3.138 -24.167 -4.522 85 HD12 ILE 12 HD12 ILE 12 3.919 -23.834 -2.977 86 HD13 ILE 12 HD13 ILE 12 2.349 -24.636 -3.017 87 H GLU 13 H GLU 13 -0.150 -23.653 -4.601 88 HA GLU 13 HA GLU 13 1.035 -25.952 -5.604 89 HB2 GLU 13 HB2 GLU 13 -1.122 -27.075 -5.098 90 HB3 GLU 13 HB3 GLU 13 -0.542 -26.063 -3.783 91 HG2 GLU 13 HG2 GLU 13 -2.643 -25.302 -3.756 92 HG3 GLU 13 HG3 GLU 13 -2.106 -24.305 -5.107 93 H SER 14 H SER 14 -1.584 -24.001 -6.963 94 HA SER 14 HA SER 14 -2.032 -25.733 -9.190 95 HB2 SER 14 HB2 SER 14 -2.859 -22.879 -8.632 96 HB3 SER 14 HB3 SER 14 -3.340 -23.760 -10.082 97 HG SER 14 HG SER 14 -4.028 -24.258 -7.394 98 H LEU 15 H LEU 15 -0.419 -22.583 -8.819 99 HA LEU 15 HA LEU 15 0.363 -22.121 -11.409 100 HB2 LEU 15 HB2 LEU 15 1.779 -21.560 -8.817 101 HB3 LEU 15 HB3 LEU 15 2.393 -20.999 -10.371 102 HG LEU 15 HG LEU 15 -0.379 -20.244 -9.971 103 HD11 LEU 15 HD11 LEU 15 0.175 -18.507 -8.242 104 HD12 LEU 15 HD12 LEU 15 1.651 -19.413 -7.910 105 HD13 LEU 15 HD13 LEU 15 0.077 -20.164 -7.645 106 HD21 LEU 15 HD21 LEU 15 1.749 -18.218 -10.117 107 HD22 LEU 15 HD22 LEU 15 0.290 -18.410 -11.090 108 HD23 LEU 15 HD23 LEU 15 1.719 -19.382 -11.443 109 H SER 16 H SER 16 1.989 -24.137 -8.991 110 HA SER 16 HA SER 16 4.307 -24.772 -10.329 111 HB2 SER 16 HB2 SER 16 3.464 -25.510 -7.984 112 HB3 SER 16 HB3 SER 16 2.786 -26.896 -8.838 113 HG SER 16 HG SER 16 5.165 -26.773 -7.949 114 H GLN 17 H GLN 17 1.065 -25.970 -10.879 115 HA GLN 17 HA GLN 17 1.906 -28.037 -12.701 116 HB2 GLN 17 HB2 GLN 17 -0.885 -26.940 -12.417 117 HB3 GLN 17 HB3 GLN 17 -0.398 -28.538 -12.967 118 HG2 GLN 17 HG2 GLN 17 0.663 -28.323 -10.409 119 HG3 GLN 17 HG3 GLN 17 -0.936 -27.589 -10.299 120 HE21 GLN 17 HE21 GLN 17 -0.081 -30.015 -9.067 121 HE22 GLN 17 HE22 GLN 17 -1.061 -31.288 -9.702 122 H MET 18 H MET 18 0.549 -24.787 -12.939 123 HA MET 18 HA MET 18 0.175 -24.810 -15.747 124 HB2 MET 18 HB2 MET 18 0.663 -22.396 -13.999 125 HB3 MET 18 HB3 MET 18 -0.146 -22.430 -15.560 126 HG2 MET 18 HG2 MET 18 -1.410 -24.219 -13.682 127 HG3 MET 18 HG3 MET 18 -1.325 -22.575 -13.054 128 HE1 MET 18 HE1 MET 18 -1.696 -24.414 -16.304 129 HE2 MET 18 HE2 MET 18 -3.188 -23.823 -17.035 130 HE3 MET 18 HE3 MET 18 -1.714 -22.862 -17.142 131 H LEU 19 H LEU 19 2.673 -23.182 -13.782 132 HA LEU 19 HA LEU 19 4.288 -22.337 -15.872 133 HB2 LEU 19 HB2 LEU 19 5.289 -23.257 -13.187 134 HB3 LEU 19 HB3 LEU 19 6.042 -22.086 -14.267 135 HG LEU 19 HG LEU 19 3.476 -21.706 -12.725 136 HD11 LEU 19 HD11 LEU 19 5.559 -19.795 -12.226 137 HD12 LEU 19 HD12 LEU 19 6.146 -21.431 -11.930 138 HD13 LEU 19 HD13 LEU 19 4.708 -20.847 -11.094 139 HD21 LEU 19 HD21 LEU 19 3.471 -20.601 -14.940 140 HD22 LEU 19 HD22 LEU 19 4.949 -19.752 -14.487 141 HD23 LEU 19 HD23 LEU 19 3.455 -19.459 -13.595 142 H SER 20 H SER 20 4.076 -25.469 -14.320 143 HA SER 20 HA SER 20 6.430 -26.511 -15.608 144 HB2 SER 20 HB2 SER 20 5.638 -27.335 -13.394 145 HB3 SER 20 HB3 SER 20 4.218 -28.013 -14.189 146 HG SER 20 HG SER 20 6.805 -28.935 -14.116 147 H MET 21 H MET 21 3.030 -26.334 -16.287 148 HA MET 21 HA MET 21 3.047 -28.377 -18.308 149 HB2 MET 21 HB2 MET 21 1.073 -26.500 -17.162 150 HB3 MET 21 HB3 MET 21 0.800 -26.962 -18.836 151 HG2 MET 21 HG2 MET 21 0.889 -29.333 -18.158 152 HG3 MET 21 HG3 MET 21 1.050 -28.816 -16.481 153 HE1 MET 21 HE1 MET 21 -0.856 -27.145 -15.344 154 HE2 MET 21 HE2 MET 21 -0.862 -26.148 -16.799 155 HE3 MET 21 HE3 MET 21 -2.379 -26.774 -16.153 156 H GLY 22 H GLY 22 3.420 -24.891 -18.199 157 HA2 GLY 22 HA2 GLY 22 4.938 -24.240 -20.181 158 HA3 GLY 22 HA3 GLY 22 3.579 -24.815 -21.137 159 H PHE 23 H PHE 23 3.751 -22.836 -18.182 160 HA PHE 23 HA PHE 23 2.588 -20.594 -19.661 161 HB2 PHE 23 HB2 PHE 23 1.428 -21.776 -17.131 162 HB3 PHE 23 HB3 PHE 23 0.951 -20.223 -17.809 163 HD1 PHE 23 HD1 PHE 23 0.800 -23.854 -18.206 164 HD2 PHE 23 HD2 PHE 23 -0.395 -20.094 -19.805 165 HE1 PHE 23 HE1 PHE 23 -0.858 -24.988 -19.625 166 HE2 PHE 23 HE2 PHE 23 -2.056 -21.223 -21.226 167 HZ PHE 23 HZ PHE 23 -2.289 -23.673 -21.138 168 H SER 24 H SER 24 2.343 -18.672 -17.975 169 HA SER 24 HA SER 24 4.582 -18.626 -16.103 170 HB2 SER 24 HB2 SER 24 5.136 -17.752 -18.555 171 HB3 SER 24 HB3 SER 24 4.370 -16.287 -17.942 172 HG SER 24 HG SER 24 6.227 -15.906 -17.052 173 H ASP 25 H ASP 25 4.609 -15.992 -15.439 174 HA ASP 25 HA ASP 25 1.831 -15.354 -14.713 175 HB2 ASP 25 HB2 ASP 25 2.652 -14.654 -12.465 176 HB3 ASP 25 HB3 ASP 25 2.810 -16.383 -12.760 177 H GLU 26 H GLU 26 3.523 -14.279 -16.809 178 HA GLU 26 HA GLU 26 4.792 -11.900 -16.223 179 HB2 GLU 26 HB2 GLU 26 3.134 -12.636 -18.638 180 HB3 GLU 26 HB3 GLU 26 4.141 -11.198 -18.546 181 HG2 GLU 26 HG2 GLU 26 5.635 -13.552 -17.822 182 HG3 GLU 26 HG3 GLU 26 4.893 -13.729 -19.411 183 H GLY 27 H GLY 27 4.093 -10.186 -15.141 184 HA2 GLY 27 HA2 GLY 27 2.772 -8.303 -14.761 185 HA3 GLY 27 HA3 GLY 27 1.551 -8.972 -15.834 186 H GLY 28 H GLY 28 0.881 -11.329 -14.753 187 HA2 GLY 28 HA2 GLY 28 0.535 -12.102 -12.330 188 HA3 GLY 28 HA3 GLY 28 -0.211 -10.523 -12.138 189 H TRP 29 H TRP 29 -0.418 -12.952 -14.731 190 HA TRP 29 HA TRP 29 -3.329 -12.711 -14.632 191 HB2 TRP 29 HB2 TRP 29 -3.369 -13.633 -16.817 192 HB3 TRP 29 HB3 TRP 29 -2.008 -12.515 -16.798 193 HD1 TRP 29 HD1 TRP 29 0.464 -13.591 -16.848 194 HE1 TRP 29 HE1 TRP 29 1.299 -15.886 -17.661 195 HE3 TRP 29 HE3 TRP 29 -4.000 -16.080 -16.981 196 HZ2 TRP 29 HZ2 TRP 29 0.210 -18.416 -18.277 197 HZ3 TRP 29 HZ3 TRP 29 -4.016 -18.435 -17.694 198 HH2 TRP 29 HH2 TRP 29 -1.954 -19.577 -18.329 199 H LEU 30 H LEU 30 -0.811 -14.837 -13.716 200 HA LEU 30 HA LEU 30 -2.678 -17.088 -13.447 201 HB2 LEU 30 HB2 LEU 30 -0.391 -17.297 -14.593 202 HB3 LEU 30 HB3 LEU 30 0.282 -17.200 -12.967 203 HG LEU 30 HG LEU 30 -1.011 -19.224 -12.358 204 HD11 LEU 30 HD11 LEU 30 -1.488 -19.946 -15.164 205 HD12 LEU 30 HD12 LEU 30 -2.537 -18.680 -14.527 206 HD13 LEU 30 HD13 LEU 30 -2.465 -20.249 -13.727 207 HD21 LEU 30 HD21 LEU 30 1.326 -19.016 -13.873 208 HD22 LEU 30 HD22 LEU 30 0.399 -20.318 -14.619 209 HD23 LEU 30 HD23 LEU 30 0.799 -20.392 -12.902 210 H THR 31 H THR 31 -1.778 -14.530 -11.696 211 HA THR 31 HA THR 31 -1.375 -15.910 -9.159 212 HB THR 31 HB THR 31 0.008 -13.950 -9.559 213 HG1 THR 31 HG1 THR 31 -0.191 -13.535 -7.499 214 HG21 THR 31 HG21 THR 31 -0.741 -12.036 -10.442 215 HG22 THR 31 HG22 THR 31 -2.068 -11.935 -9.286 216 HG23 THR 31 HG23 THR 31 -2.253 -12.887 -10.759 217 H ARG 32 H ARG 32 -3.881 -14.410 -10.981 218 HA ARG 32 HA ARG 32 -5.670 -14.551 -8.643 219 HB2 ARG 32 HB2 ARG 32 -5.956 -12.774 -11.072 220 HB3 ARG 32 HB3 ARG 32 -7.030 -12.811 -9.681 221 HG2 ARG 32 HG2 ARG 32 -4.209 -12.315 -9.048 222 HG3 ARG 32 HG3 ARG 32 -4.996 -11.061 -10.008 223 HD2 ARG 32 HD2 ARG 32 -6.707 -11.947 -7.863 224 HD3 ARG 32 HD3 ARG 32 -5.142 -11.424 -7.242 225 HE ARG 32 HE ARG 32 -6.229 -9.568 -9.117 226 HH11 ARG 32 HH11 ARG 32 -6.383 -10.626 -5.804 227 HH12 ARG 32 HH12 ARG 32 -6.940 -9.098 -5.206 228 HH21 ARG 32 HH21 ARG 32 -6.962 -7.552 -8.342 229 HH22 ARG 32 HH22 ARG 32 -7.270 -7.351 -6.650 230 H LEU 33 H LEU 33 -5.112 -15.462 -11.942 231 HA LEU 33 HA LEU 33 -7.617 -16.233 -12.802 232 HB2 LEU 33 HB2 LEU 33 -5.923 -16.374 -14.382 233 HB3 LEU 33 HB3 LEU 33 -4.869 -17.295 -13.312 234 HG LEU 33 HG LEU 33 -6.234 -19.280 -13.640 235 HD11 LEU 33 HD11 LEU 33 -7.909 -17.497 -15.399 236 HD12 LEU 33 HD12 LEU 33 -8.409 -18.296 -13.909 237 HD13 LEU 33 HD13 LEU 33 -8.036 -19.256 -15.341 238 HD21 LEU 33 HD21 LEU 33 -5.212 -17.843 -16.062 239 HD22 LEU 33 HD22 LEU 33 -5.915 -19.455 -16.190 240 HD23 LEU 33 HD23 LEU 33 -4.493 -19.191 -15.180 241 H LEU 34 H LEU 34 -5.257 -18.218 -11.017 242 HA LEU 34 HA LEU 34 -6.860 -20.504 -10.783 243 HB2 LEU 34 HB2 LEU 34 -4.591 -19.433 -9.134 244 HB3 LEU 34 HB3 LEU 34 -5.389 -20.955 -8.744 245 HG LEU 34 HG LEU 34 -3.400 -21.471 -9.938 246 HD11 LEU 34 HD11 LEU 34 -5.445 -22.744 -10.528 247 HD12 LEU 34 HD12 LEU 34 -4.249 -22.692 -11.822 248 HD13 LEU 34 HD13 LEU 34 -5.678 -21.662 -11.901 249 HD21 LEU 34 HD21 LEU 34 -2.577 -20.367 -11.746 250 HD22 LEU 34 HD22 LEU 34 -3.516 -19.052 -11.039 251 HD23 LEU 34 HD23 LEU 34 -4.177 -19.984 -12.383 252 H GLN 35 H GLN 35 -6.448 -17.738 -8.599 253 HA GLN 35 HA GLN 35 -7.989 -18.591 -6.470 254 HB2 GLN 35 HB2 GLN 35 -7.733 -15.795 -7.588 255 HB3 GLN 35 HB3 GLN 35 -8.381 -16.185 -6.001 256 HG2 GLN 35 HG2 GLN 35 -6.233 -17.131 -5.347 257 HG3 GLN 35 HG3 GLN 35 -5.580 -16.759 -6.942 258 HE21 GLN 35 HE21 GLN 35 -4.972 -15.846 -4.122 259 HE22 GLN 35 HE22 GLN 35 -4.934 -14.122 -4.238 260 H THR 36 H THR 36 -9.012 -17.131 -9.512 261 HA THR 36 HA THR 36 -11.763 -16.905 -8.771 262 HB THR 36 HB THR 36 -12.191 -16.218 -10.993 263 HG1 THR 36 HG1 THR 36 -11.312 -17.455 -12.475 264 HG21 THR 36 HG21 THR 36 -10.991 -14.333 -10.886 265 HG22 THR 36 HG22 THR 36 -9.472 -15.195 -11.122 266 HG23 THR 36 HG23 THR 36 -10.166 -15.058 -9.507 267 H LYS 37 H LYS 37 -9.776 -19.443 -9.979 268 HA LYS 37 HA LYS 37 -12.125 -21.041 -10.723 269 HB2 LYS 37 HB2 LYS 37 -9.193 -21.601 -11.206 270 HB3 LYS 37 HB3 LYS 37 -10.539 -22.563 -11.802 271 HG2 LYS 37 HG2 LYS 37 -9.857 -19.736 -12.577 272 HG3 LYS 37 HG3 LYS 37 -9.704 -21.183 -13.576 273 HD2 LYS 37 HD2 LYS 37 -12.252 -21.443 -13.122 274 HD3 LYS 37 HD3 LYS 37 -12.171 -19.728 -12.709 275 HE2 LYS 37 HE2 LYS 37 -11.054 -19.370 -14.943 276 HE3 LYS 37 HE3 LYS 37 -11.477 -21.037 -15.330 277 HZ1 LYS 37 HZ1 LYS 37 -13.063 -19.220 -16.082 278 HZ2 LYS 37 HZ2 LYS 37 -13.520 -19.087 -14.459 279 HZ3 LYS 37 HZ3 LYS 37 -13.742 -20.547 -15.283 280 H ASN 38 H ASN 38 -10.816 -20.378 -7.973 281 HA ASN 38 HA ASN 38 -10.578 -21.415 -5.963 282 HB2 ASN 38 HB2 ASN 38 -12.814 -22.394 -6.817 283 HB3 ASN 38 HB3 ASN 38 -11.887 -23.858 -7.133 284 HD21 ASN 38 HD21 ASN 38 -12.619 -25.209 -5.621 285 HD22 ASN 38 HD22 ASN 38 -12.568 -24.914 -3.920 286 H TYR 39 H TYR 39 -8.379 -21.545 -7.638 287 HA TYR 39 HA TYR 39 -6.386 -22.602 -7.932 288 HB2 TYR 39 HB2 TYR 39 -7.137 -24.408 -5.643 289 HB3 TYR 39 HB3 TYR 39 -5.538 -23.839 -6.109 290 HD1 TYR 39 HD1 TYR 39 -5.631 -21.037 -6.255 291 HD2 TYR 39 HD2 TYR 39 -7.796 -23.567 -3.606 292 HE1 TYR 39 HE1 TYR 39 -5.818 -19.185 -4.648 293 HE2 TYR 39 HE2 TYR 39 -7.990 -21.721 -1.992 294 HH TYR 39 HH TYR 39 -7.666 -19.535 -1.648 295 H ASP 40 H ASP 40 -7.936 -23.439 -9.810 296 HA ASP 40 HA ASP 40 -7.879 -26.383 -9.773 297 HB2 ASP 40 HB2 ASP 40 -9.792 -24.428 -10.837 298 HB3 ASP 40 HB3 ASP 40 -9.379 -25.709 -11.973 299 H ILE 41 H ILE 41 -7.097 -27.501 -11.603 300 HA ILE 41 HA ILE 41 -5.134 -25.954 -13.144 301 HB ILE 41 HB ILE 41 -5.230 -28.952 -13.059 302 HG12 ILE 41 HG12 ILE 41 -5.247 -28.261 -10.728 303 HG13 ILE 41 HG13 ILE 41 -3.649 -28.868 -11.151 304 HG21 ILE 41 HG21 ILE 41 -2.653 -27.608 -13.040 305 HG22 ILE 41 HG22 ILE 41 -3.280 -28.839 -14.135 306 HG23 ILE 41 HG23 ILE 41 -3.656 -27.139 -14.412 307 HD11 ILE 41 HD11 ILE 41 -3.582 -26.855 -9.743 308 HD12 ILE 41 HD12 ILE 41 -2.794 -26.624 -11.304 309 HD13 ILE 41 HD13 ILE 41 -4.404 -25.959 -11.020 310 H GLY 42 H GLY 42 -7.958 -27.974 -13.449 311 HA2 GLY 42 HA2 GLY 42 -7.679 -28.276 -16.317 312 HA3 GLY 42 HA3 GLY 42 -9.025 -28.830 -15.333 313 H ALA 43 H ALA 43 -9.077 -25.992 -14.164 314 HA ALA 43 HA ALA 43 -10.890 -24.937 -16.189 315 HB1 ALA 43 HB1 ALA 43 -11.886 -24.930 -14.077 316 HB2 ALA 43 HB2 ALA 43 -10.431 -24.316 -13.291 317 HB3 ALA 43 HB3 ALA 43 -11.391 -23.255 -14.323 318 H ALA 44 H ALA 44 -7.851 -24.173 -14.622 319 HA ALA 44 HA ALA 44 -7.687 -21.518 -15.720 320 HB1 ALA 44 HB1 ALA 44 -5.438 -23.130 -14.534 321 HB2 ALA 44 HB2 ALA 44 -5.562 -21.375 -14.672 322 HB3 ALA 44 HB3 ALA 44 -6.619 -22.250 -13.564 323 H LEU 45 H LEU 45 -7.018 -24.670 -16.838 324 HA LEU 45 HA LEU 45 -4.931 -23.996 -18.677 325 HB2 LEU 45 HB2 LEU 45 -6.648 -26.375 -18.168 326 HB3 LEU 45 HB3 LEU 45 -5.794 -26.263 -19.706 327 HG LEU 45 HG LEU 45 -4.393 -26.079 -17.048 328 HD11 LEU 45 HD11 LEU 45 -4.204 -28.325 -16.881 329 HD12 LEU 45 HD12 LEU 45 -4.250 -28.572 -18.626 330 HD13 LEU 45 HD13 LEU 45 -5.746 -28.284 -17.737 331 HD21 LEU 45 HD21 LEU 45 -2.908 -27.179 -19.248 332 HD22 LEU 45 HD22 LEU 45 -2.558 -25.763 -18.256 333 HD23 LEU 45 HD23 LEU 45 -3.580 -25.607 -19.685 334 H ASP 46 H ASP 46 -8.346 -23.720 -18.677 335 HA ASP 46 HA ASP 46 -8.361 -23.272 -21.587 336 HB2 ASP 46 HB2 ASP 46 -10.068 -24.811 -19.998 337 HB3 ASP 46 HB3 ASP 46 -10.990 -23.355 -20.363 338 H THR 47 H THR 47 -7.524 -21.407 -19.407 339 HA THR 47 HA THR 47 -9.510 -19.275 -19.849 340 HB THR 47 HB THR 47 -7.411 -19.196 -17.696 341 HG1 THR 47 HG1 THR 47 -8.954 -21.110 -17.660 342 HG21 THR 47 HG21 THR 47 -8.346 -17.107 -17.771 343 HG22 THR 47 HG22 THR 47 -9.482 -17.894 -16.678 344 HG23 THR 47 HG23 THR 47 -9.890 -17.700 -18.383 345 H ILE 48 H ILE 48 -7.003 -20.253 -21.392 346 HA ILE 48 HA ILE 48 -5.739 -17.599 -21.615 347 HB ILE 48 HB ILE 48 -4.287 -20.005 -22.584 348 HG12 ILE 48 HG12 ILE 48 -3.287 -19.942 -20.111 349 HG13 ILE 48 HG13 ILE 48 -4.927 -19.425 -19.732 350 HG21 ILE 48 HG21 ILE 48 -2.384 -18.626 -21.574 351 HG22 ILE 48 HG22 ILE 48 -3.193 -17.981 -23.002 352 HG23 ILE 48 HG23 ILE 48 -3.579 -17.339 -21.406 353 HD11 ILE 48 HD11 ILE 48 -5.029 -21.683 -21.473 354 HD12 ILE 48 HD12 ILE 48 -3.973 -22.037 -20.106 355 HD13 ILE 48 HD13 ILE 48 -5.635 -21.514 -19.826 356 H GLN 49 H GLN 49 -7.102 -20.347 -23.283 357 HA GLN 49 HA GLN 49 -6.376 -19.871 -25.898 358 HB2 GLN 49 HB2 GLN 49 -9.140 -20.721 -25.030 359 HB3 GLN 49 HB3 GLN 49 -8.346 -21.081 -26.558 360 HG2 GLN 49 HG2 GLN 49 -7.632 -22.139 -23.836 361 HG3 GLN 49 HG3 GLN 49 -8.295 -23.037 -25.200 362 HE21 GLN 49 HE21 GLN 49 -6.964 -23.475 -26.985 363 HE22 GLN 49 HE22 GLN 49 -5.241 -23.429 -26.858 364 H TYR 50 H TYR 50 -9.050 -18.415 -24.077 365 HA TYR 50 HA TYR 50 -8.898 -15.960 -25.449 366 HB2 TYR 50 HB2 TYR 50 -10.836 -16.003 -26.838 367 HB3 TYR 50 HB3 TYR 50 -9.889 -17.428 -27.251 368 HD1 TYR 50 HD1 TYR 50 -12.939 -16.224 -25.589 369 HD2 TYR 50 HD2 TYR 50 -10.719 -19.643 -26.808 370 HE1 TYR 50 HE1 TYR 50 -14.907 -17.641 -25.175 371 HE2 TYR 50 HE2 TYR 50 -12.681 -21.069 -26.399 372 HH TYR 50 HH TYR 50 -14.980 -21.001 -26.113 373 H SER 51 H SER 51 -9.862 -14.421 -24.259 374 HA SER 51 HA SER 51 -12.261 -14.691 -22.833 375 HB2 SER 51 HB2 SER 51 -10.621 -16.202 -21.503 376 HB3 SER 51 HB3 SER 51 -9.925 -14.684 -20.938 377 HG SER 51 HG SER 51 -11.523 -15.353 -19.506 378 H LYS 52 H LYS 52 -11.949 -12.963 -20.748 379 HA LYS 52 HA LYS 52 -11.146 -10.500 -22.131 380 HB2 LYS 52 HB2 LYS 52 -12.938 -10.827 -19.717 381 HB3 LYS 52 HB3 LYS 52 -12.635 -9.332 -20.593 382 HG2 LYS 52 HG2 LYS 52 -13.545 -11.272 -22.453 383 HG3 LYS 52 HG3 LYS 52 -14.630 -11.283 -21.061 384 HD2 LYS 52 HD2 LYS 52 -14.980 -8.898 -21.269 385 HD3 LYS 52 HD3 LYS 52 -13.803 -8.811 -22.582 386 HE2 LYS 52 HE2 LYS 52 -15.203 -10.044 -24.039 387 HE3 LYS 52 HE3 LYS 52 -16.275 -10.520 -22.723 388 HZ1 LYS 52 HZ1 LYS 52 -16.298 -8.143 -24.316 389 HZ2 LYS 52 HZ2 LYS 52 -16.319 -7.797 -22.660 390 HZ3 LYS 52 HZ3 LYS 52 -17.511 -8.792 -23.331 391 H HIS 53 H HIS 53 -11.332 -11.555 -18.727 392 HA HIS 53 HA HIS 53 -9.950 -11.199 -16.953 393 HB2 HIS 53 HB2 HIS 53 -8.513 -12.606 -18.607 394 HB3 HIS 53 HB3 HIS 53 -7.623 -11.105 -18.848 395 HD1 HIS 53 HD1 HIS 53 -6.273 -10.193 -16.807 396 HD2 HIS 53 HD2 HIS 53 -8.042 -13.903 -16.199 397 HE1 HIS 53 HE1 HIS 53 -5.187 -11.125 -14.739 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 0.716 -1.038 -11.906 2 HA2 GLY 1 HA2 GLY 1 -0.844 -2.878 -12.889 3 HA3 GLY 1 HA3 GLY 1 0.652 -3.800 -12.902 4 HA PRO 2 HA PRO 2 -1.622 -4.099 -8.755 5 HB2 PRO 2 HB2 PRO 2 -2.388 -6.695 -8.957 6 HB3 PRO 2 HB3 PRO 2 -3.393 -5.351 -9.512 7 HG2 PRO 2 HG2 PRO 2 -1.608 -7.160 -11.093 8 HG3 PRO 2 HG3 PRO 2 -3.239 -6.581 -11.479 9 HD2 PRO 2 HD2 PRO 2 -1.011 -5.488 -12.562 10 HD3 PRO 2 HD3 PRO 2 -2.474 -4.539 -12.226 11 H LEU 3 H LEU 3 -0.052 -4.273 -7.285 12 HA LEU 3 HA LEU 3 2.313 -5.748 -7.599 13 HB2 LEU 3 HB2 LEU 3 1.645 -3.794 -5.975 14 HB3 LEU 3 HB3 LEU 3 1.254 -5.121 -4.883 15 HG LEU 3 HG LEU 3 3.764 -5.809 -5.660 16 HD11 LEU 3 HD11 LEU 3 3.843 -3.592 -6.906 17 HD12 LEU 3 HD12 LEU 3 5.174 -3.940 -5.803 18 HD13 LEU 3 HD13 LEU 3 3.894 -2.829 -5.316 19 HD21 LEU 3 HD21 LEU 3 2.539 -4.476 -3.343 20 HD22 LEU 3 HD22 LEU 3 4.292 -4.320 -3.465 21 HD23 LEU 3 HD23 LEU 3 3.550 -5.919 -3.424 22 H GLY 4 H GLY 4 2.481 -7.886 -7.695 23 HA2 GLY 4 HA2 GLY 4 1.013 -9.484 -5.704 24 HA3 GLY 4 HA3 GLY 4 0.951 -9.937 -7.401 25 H SER 5 H SER 5 3.586 -8.877 -5.248 26 HA SER 5 HA SER 5 5.414 -10.746 -6.401 27 HB2 SER 5 HB2 SER 5 7.012 -9.901 -4.777 28 HB3 SER 5 HB3 SER 5 6.113 -8.548 -5.462 29 HG SER 5 HG SER 5 6.425 -8.828 -3.011 30 H GLU 6 H GLU 6 3.512 -10.615 -3.438 31 HA GLU 6 HA GLU 6 4.651 -13.082 -2.436 32 HB2 GLU 6 HB2 GLU 6 2.864 -10.978 -1.410 33 HB3 GLU 6 HB3 GLU 6 2.487 -12.600 -0.847 34 HG2 GLU 6 HG2 GLU 6 4.682 -12.864 0.066 35 HG3 GLU 6 HG3 GLU 6 5.211 -11.342 -0.648 36 H ALA 7 H ALA 7 3.093 -14.821 -1.686 37 HA ALA 7 HA ALA 7 0.775 -15.151 -3.430 38 HB1 ALA 7 HB1 ALA 7 3.187 -16.931 -3.439 39 HB2 ALA 7 HB2 ALA 7 1.595 -17.542 -3.889 40 HB3 ALA 7 HB3 ALA 7 2.323 -16.222 -4.804 41 H ASP 8 H ASP 8 -0.068 -17.590 -2.881 42 HA ASP 8 HA ASP 8 -0.114 -17.789 0.058 43 HB2 ASP 8 HB2 ASP 8 -2.294 -17.290 -1.765 44 HB3 ASP 8 HB3 ASP 8 -2.556 -18.803 -0.901 45 HA PRO 9 HA PRO 9 0.773 -22.068 -0.308 46 HB2 PRO 9 HB2 PRO 9 -0.754 -23.151 1.658 47 HB3 PRO 9 HB3 PRO 9 0.689 -22.184 1.985 48 HG2 PRO 9 HG2 PRO 9 -2.192 -21.371 2.051 49 HG3 PRO 9 HG3 PRO 9 -0.891 -20.976 3.190 50 HD2 PRO 9 HD2 PRO 9 -1.736 -19.246 1.286 51 HD3 PRO 9 HD3 PRO 9 -0.052 -19.302 1.846 52 H ARG 10 H ARG 10 -2.647 -21.203 -0.246 53 HA ARG 10 HA ARG 10 -3.401 -23.719 -1.501 54 HB2 ARG 10 HB2 ARG 10 -5.101 -21.341 -0.726 55 HB3 ARG 10 HB3 ARG 10 -5.701 -22.897 -1.283 56 HG2 ARG 10 HG2 ARG 10 -4.029 -22.572 1.193 57 HG3 ARG 10 HG3 ARG 10 -5.793 -22.513 1.195 58 HD2 ARG 10 HD2 ARG 10 -5.020 -24.810 -0.264 59 HD3 ARG 10 HD3 ARG 10 -4.074 -24.788 1.223 60 HE ARG 10 HE ARG 10 -6.882 -25.278 0.975 61 HH11 ARG 10 HH11 ARG 10 -4.399 -24.052 3.084 62 HH12 ARG 10 HH12 ARG 10 -5.288 -24.379 4.535 63 HH21 ARG 10 HH21 ARG 10 -8.062 -25.713 2.877 64 HH22 ARG 10 HH22 ARG 10 -7.371 -25.325 4.416 65 H LEU 11 H LEU 11 -1.880 -21.244 -2.699 66 HA LEU 11 HA LEU 11 -3.487 -21.124 -5.167 67 HB2 LEU 11 HB2 LEU 11 -3.460 -18.956 -4.175 68 HB3 LEU 11 HB3 LEU 11 -1.720 -19.039 -3.907 69 HG LEU 11 HG LEU 11 -1.450 -19.039 -6.415 70 HD11 LEU 11 HD11 LEU 11 -3.636 -17.780 -7.356 71 HD12 LEU 11 HD12 LEU 11 -4.382 -18.882 -6.200 72 HD13 LEU 11 HD13 LEU 11 -3.366 -19.517 -7.494 73 HD21 LEU 11 HD21 LEU 11 -0.967 -17.050 -5.197 74 HD22 LEU 11 HD22 LEU 11 -2.681 -16.680 -5.004 75 HD23 LEU 11 HD23 LEU 11 -1.933 -16.587 -6.598 76 H ILE 12 H ILE 12 -0.169 -20.939 -3.896 77 HA ILE 12 HA ILE 12 1.235 -21.140 -6.266 78 HB ILE 12 HB ILE 12 3.074 -22.125 -4.966 79 HG12 ILE 12 HG12 ILE 12 2.331 -22.149 -2.355 80 HG13 ILE 12 HG13 ILE 12 0.851 -22.725 -3.113 81 HG21 ILE 12 HG21 ILE 12 1.732 -19.660 -4.439 82 HG22 ILE 12 HG22 ILE 12 2.477 -20.247 -2.953 83 HG23 ILE 12 HG23 ILE 12 3.459 -20.015 -4.399 84 HD11 ILE 12 HD11 ILE 12 2.867 -24.178 -4.340 85 HD12 ILE 12 HD12 ILE 12 3.340 -24.099 -2.643 86 HD13 ILE 12 HD13 ILE 12 1.760 -24.743 -3.090 87 H GLU 13 H GLU 13 -0.502 -23.603 -4.519 88 HA GLU 13 HA GLU 13 0.636 -25.918 -5.532 89 HB2 GLU 13 HB2 GLU 13 -1.583 -26.968 -5.156 90 HB3 GLU 13 HB3 GLU 13 -1.028 -26.013 -3.788 91 HG2 GLU 13 HG2 GLU 13 -3.096 -25.169 -3.838 92 HG3 GLU 13 HG3 GLU 13 -2.461 -24.163 -5.138 93 H SER 14 H SER 14 -1.842 -23.834 -6.957 94 HA SER 14 HA SER 14 -2.240 -25.493 -9.251 95 HB2 SER 14 HB2 SER 14 -3.170 -22.812 -8.354 96 HB3 SER 14 HB3 SER 14 -3.234 -23.152 -10.083 97 HG SER 14 HG SER 14 -4.409 -24.711 -8.022 98 H LEU 15 H LEU 15 -0.556 -22.405 -8.712 99 HA LEU 15 HA LEU 15 0.358 -21.890 -11.247 100 HB2 LEU 15 HB2 LEU 15 1.666 -21.451 -8.577 101 HB3 LEU 15 HB3 LEU 15 2.373 -20.867 -10.082 102 HG LEU 15 HG LEU 15 -0.391 -20.033 -9.789 103 HD11 LEU 15 HD11 LEU 15 -0.041 -20.029 -7.444 104 HD12 LEU 15 HD12 LEU 15 0.138 -18.361 -7.989 105 HD13 LEU 15 HD13 LEU 15 1.567 -19.325 -7.616 106 HD21 LEU 15 HD21 LEU 15 0.387 -18.190 -10.822 107 HD22 LEU 15 HD22 LEU 15 1.797 -19.201 -11.141 108 HD23 LEU 15 HD23 LEU 15 1.808 -18.076 -9.782 109 H SER 16 H SER 16 1.819 -24.021 -8.820 110 HA SER 16 HA SER 16 4.173 -24.689 -10.077 111 HB2 SER 16 HB2 SER 16 2.500 -25.844 -8.012 112 HB3 SER 16 HB3 SER 16 3.259 -27.102 -8.987 113 HG SER 16 HG SER 16 4.373 -25.819 -7.051 114 H GLN 17 H GLN 17 0.924 -25.773 -10.799 115 HA GLN 17 HA GLN 17 1.781 -27.816 -12.639 116 HB2 GLN 17 HB2 GLN 17 -0.985 -26.639 -12.461 117 HB3 GLN 17 HB3 GLN 17 -0.520 -28.243 -13.013 118 HG2 GLN 17 HG2 GLN 17 0.420 -28.095 -10.402 119 HG3 GLN 17 HG3 GLN 17 -1.163 -27.320 -10.360 120 HE21 GLN 17 HE21 GLN 17 -2.099 -28.971 -9.187 121 HE22 GLN 17 HE22 GLN 17 -2.433 -30.524 -9.867 122 H MET 18 H MET 18 0.540 -24.518 -12.847 123 HA MET 18 HA MET 18 0.293 -24.455 -15.669 124 HB2 MET 18 HB2 MET 18 0.775 -22.104 -13.836 125 HB3 MET 18 HB3 MET 18 0.035 -22.073 -15.431 126 HG2 MET 18 HG2 MET 18 -1.364 -23.869 -13.658 127 HG3 MET 18 HG3 MET 18 -1.258 -22.244 -12.984 128 HE1 MET 18 HE1 MET 18 -1.538 -23.990 -16.296 129 HE2 MET 18 HE2 MET 18 -2.976 -23.331 -17.077 130 HE3 MET 18 HE3 MET 18 -1.469 -22.416 -17.090 131 H LEU 19 H LEU 19 2.747 -22.959 -13.550 132 HA LEU 19 HA LEU 19 4.481 -22.110 -15.540 133 HB2 LEU 19 HB2 LEU 19 5.334 -23.137 -12.842 134 HB3 LEU 19 HB3 LEU 19 6.165 -21.955 -13.852 135 HG LEU 19 HG LEU 19 3.540 -21.545 -12.420 136 HD11 LEU 19 HD11 LEU 19 4.710 -20.779 -10.700 137 HD12 LEU 19 HD12 LEU 19 5.661 -19.728 -11.749 138 HD13 LEU 19 HD13 LEU 19 6.169 -21.395 -11.476 139 HD21 LEU 19 HD21 LEU 19 3.669 -19.255 -13.197 140 HD22 LEU 19 HD22 LEU 19 3.656 -20.358 -14.573 141 HD23 LEU 19 HD23 LEU 19 5.167 -19.606 -14.061 142 H SER 20 H SER 20 4.107 -25.275 -14.084 143 HA SER 20 HA SER 20 6.484 -26.356 -15.296 144 HB2 SER 20 HB2 SER 20 5.570 -27.220 -13.148 145 HB3 SER 20 HB3 SER 20 4.159 -27.819 -14.020 146 HG SER 20 HG SER 20 6.449 -29.048 -13.662 147 H MET 21 H MET 21 3.118 -26.069 -16.116 148 HA MET 21 HA MET 21 3.170 -28.047 -18.197 149 HB2 MET 21 HB2 MET 21 1.203 -26.138 -17.090 150 HB3 MET 21 HB3 MET 21 0.996 -26.547 -18.787 151 HG2 MET 21 HG2 MET 21 0.977 -28.937 -18.173 152 HG3 MET 21 HG3 MET 21 1.079 -28.471 -16.477 153 HE1 MET 21 HE1 MET 21 -2.296 -26.330 -16.237 154 HE2 MET 21 HE2 MET 21 -0.820 -26.771 -15.376 155 HE3 MET 21 HE3 MET 21 -0.734 -25.734 -16.800 156 H GLY 22 H GLY 22 3.630 -24.575 -17.973 157 HA2 GLY 22 HA2 GLY 22 5.265 -23.922 -19.865 158 HA3 GLY 22 HA3 GLY 22 3.933 -24.425 -20.896 159 H PHE 23 H PHE 23 4.037 -22.535 -17.881 160 HA PHE 23 HA PHE 23 3.011 -20.217 -19.344 161 HB2 PHE 23 HB2 PHE 23 1.707 -21.430 -16.900 162 HB3 PHE 23 HB3 PHE 23 1.311 -19.841 -17.547 163 HD1 PHE 23 HD1 PHE 23 1.067 -23.452 -18.075 164 HD2 PHE 23 HD2 PHE 23 0.046 -19.605 -19.581 165 HE1 PHE 23 HE1 PHE 23 -0.567 -24.485 -19.596 166 HE2 PHE 23 HE2 PHE 23 -1.591 -20.632 -21.105 167 HZ PHE 23 HZ PHE 23 -1.899 -23.075 -21.114 168 H SER 24 H SER 24 2.754 -18.335 -17.611 169 HA SER 24 HA SER 24 4.908 -18.413 -15.645 170 HB2 SER 24 HB2 SER 24 5.578 -17.486 -18.064 171 HB3 SER 24 HB3 SER 24 4.877 -16.009 -17.402 172 HG SER 24 HG SER 24 7.064 -16.073 -16.905 173 H ASP 25 H ASP 25 4.998 -15.800 -14.911 174 HA ASP 25 HA ASP 25 2.212 -15.088 -14.285 175 HB2 ASP 25 HB2 ASP 25 3.030 -14.408 -12.000 176 HB3 ASP 25 HB3 ASP 25 3.031 -16.143 -12.302 177 H GLU 26 H GLU 26 3.995 -14.024 -16.305 178 HA GLU 26 HA GLU 26 5.314 -11.694 -15.639 179 HB2 GLU 26 HB2 GLU 26 3.692 -12.301 -18.116 180 HB3 GLU 26 HB3 GLU 26 4.791 -10.937 -17.960 181 HG2 GLU 26 HG2 GLU 26 6.327 -13.116 -17.228 182 HG3 GLU 26 HG3 GLU 26 5.348 -13.710 -18.568 183 H GLY 27 H GLY 27 4.614 -10.016 -14.499 184 HA2 GLY 27 HA2 GLY 27 3.343 -8.094 -14.124 185 HA3 GLY 27 HA3 GLY 27 2.144 -8.693 -15.261 186 H GLY 28 H GLY 28 1.389 -11.075 -14.260 187 HA2 GLY 28 HA2 GLY 28 0.918 -11.899 -11.882 188 HA3 GLY 28 HA3 GLY 28 0.215 -10.302 -11.669 189 H TRP 29 H TRP 29 0.025 -12.611 -14.368 190 HA TRP 29 HA TRP 29 -2.877 -12.287 -14.361 191 HB2 TRP 29 HB2 TRP 29 -2.862 -13.150 -16.570 192 HB3 TRP 29 HB3 TRP 29 -1.463 -12.085 -16.467 193 HD1 TRP 29 HD1 TRP 29 0.969 -13.255 -16.441 194 HE1 TRP 29 HE1 TRP 29 1.751 -15.557 -17.286 195 HE3 TRP 29 HE3 TRP 29 -3.577 -15.561 -16.838 196 HZ2 TRP 29 HZ2 TRP 29 0.594 -18.023 -18.025 197 HZ3 TRP 29 HZ3 TRP 29 -3.652 -17.892 -17.622 198 HH2 TRP 29 HH2 TRP 29 -1.609 -19.096 -18.203 199 H LEU 30 H LEU 30 -0.474 -14.524 -13.402 200 HA LEU 30 HA LEU 30 -2.425 -16.715 -13.270 201 HB2 LEU 30 HB2 LEU 30 -0.101 -16.974 -14.325 202 HB3 LEU 30 HB3 LEU 30 0.507 -16.940 -12.671 203 HG LEU 30 HG LEU 30 -0.878 -18.932 -12.168 204 HD11 LEU 30 HD11 LEU 30 -1.259 -19.565 -15.010 205 HD12 LEU 30 HD12 LEU 30 -2.294 -18.285 -14.380 206 HD13 LEU 30 HD13 LEU 30 -2.303 -19.878 -13.623 207 HD21 LEU 30 HD21 LEU 30 1.528 -18.768 -13.569 208 HD22 LEU 30 HD22 LEU 30 0.594 -20.013 -14.398 209 HD23 LEU 30 HD23 LEU 30 0.910 -20.154 -12.668 210 H THR 31 H THR 31 -1.498 -14.234 -11.415 211 HA THR 31 HA THR 31 -1.255 -15.690 -8.902 212 HB THR 31 HB THR 31 0.205 -13.764 -9.200 213 HG1 THR 31 HG1 THR 31 -1.087 -14.273 -7.107 214 HG21 THR 31 HG21 THR 31 -1.833 -11.703 -8.940 215 HG22 THR 31 HG22 THR 31 -1.967 -12.596 -10.454 216 HG23 THR 31 HG23 THR 31 -0.453 -11.793 -10.035 217 H ARG 32 H ARG 32 -3.635 -14.074 -10.787 218 HA ARG 32 HA ARG 32 -5.523 -14.211 -8.528 219 HB2 ARG 32 HB2 ARG 32 -5.650 -12.364 -10.918 220 HB3 ARG 32 HB3 ARG 32 -6.782 -12.401 -9.574 221 HG2 ARG 32 HG2 ARG 32 -3.972 -12.011 -8.820 222 HG3 ARG 32 HG3 ARG 32 -4.689 -10.707 -9.767 223 HD2 ARG 32 HD2 ARG 32 -6.554 -11.531 -7.775 224 HD3 ARG 32 HD3 ARG 32 -4.992 -11.251 -7.006 225 HE ARG 32 HE ARG 32 -5.669 -9.133 -8.776 226 HH11 ARG 32 HH11 ARG 32 -6.344 -10.438 -5.620 227 HH12 ARG 32 HH12 ARG 32 -6.799 -8.911 -4.942 228 HH21 ARG 32 HH21 ARG 32 -6.266 -7.115 -7.894 229 HH22 ARG 32 HH22 ARG 32 -6.755 -7.021 -6.236 230 H LEU 33 H LEU 33 -4.860 -15.047 -11.829 231 HA LEU 33 HA LEU 33 -7.346 -15.714 -12.814 232 HB2 LEU 33 HB2 LEU 33 -5.583 -15.874 -14.318 233 HB3 LEU 33 HB3 LEU 33 -4.618 -16.869 -13.229 234 HG LEU 33 HG LEU 33 -6.053 -18.783 -13.676 235 HD11 LEU 33 HD11 LEU 33 -7.741 -18.607 -15.508 236 HD12 LEU 33 HD12 LEU 33 -7.564 -16.855 -15.427 237 HD13 LEU 33 HD13 LEU 33 -8.171 -17.744 -14.031 238 HD21 LEU 33 HD21 LEU 33 -4.871 -17.337 -16.024 239 HD22 LEU 33 HD22 LEU 33 -5.592 -18.938 -16.190 240 HD23 LEU 33 HD23 LEU 33 -4.214 -18.699 -15.116 241 H LEU 34 H LEU 34 -5.144 -17.806 -10.954 242 HA LEU 34 HA LEU 34 -6.844 -20.040 -10.853 243 HB2 LEU 34 HB2 LEU 34 -4.592 -19.110 -9.097 244 HB3 LEU 34 HB3 LEU 34 -5.464 -20.610 -8.784 245 HG LEU 34 HG LEU 34 -3.455 -21.170 -9.924 246 HD11 LEU 34 HD11 LEU 34 -4.283 -22.292 -11.879 247 HD12 LEU 34 HD12 LEU 34 -5.669 -21.206 -11.968 248 HD13 LEU 34 HD13 LEU 34 -5.524 -22.341 -10.627 249 HD21 LEU 34 HD21 LEU 34 -2.519 -20.041 -11.657 250 HD22 LEU 34 HD22 LEU 34 -3.440 -18.713 -10.950 251 HD23 LEU 34 HD23 LEU 34 -4.077 -19.582 -12.347 252 H GLN 35 H GLN 35 -6.378 -17.363 -8.568 253 HA GLN 35 HA GLN 35 -8.046 -18.210 -6.530 254 HB2 GLN 35 HB2 GLN 35 -7.624 -15.382 -7.513 255 HB3 GLN 35 HB3 GLN 35 -8.293 -15.826 -5.949 256 HG2 GLN 35 HG2 GLN 35 -6.149 -16.997 -5.449 257 HG3 GLN 35 HG3 GLN 35 -5.501 -16.323 -6.944 258 HE21 GLN 35 HE21 GLN 35 -6.544 -13.799 -6.909 259 HE22 GLN 35 HE22 GLN 35 -5.895 -12.916 -5.573 260 H THR 36 H THR 36 -8.852 -16.760 -9.613 261 HA THR 36 HA THR 36 -11.619 -16.335 -8.952 262 HB THR 36 HB THR 36 -11.455 -16.336 -11.724 263 HG1 THR 36 HG1 THR 36 -9.482 -14.866 -11.837 264 HG21 THR 36 HG21 THR 36 -11.349 -14.246 -9.592 265 HG22 THR 36 HG22 THR 36 -12.619 -14.589 -10.765 266 HG23 THR 36 HG23 THR 36 -11.143 -13.771 -11.277 267 H LYS 37 H LYS 37 -9.716 -18.927 -10.205 268 HA LYS 37 HA LYS 37 -12.115 -20.379 -11.071 269 HB2 LYS 37 HB2 LYS 37 -9.199 -21.073 -11.472 270 HB3 LYS 37 HB3 LYS 37 -10.569 -21.945 -12.146 271 HG2 LYS 37 HG2 LYS 37 -9.714 -19.134 -12.800 272 HG3 LYS 37 HG3 LYS 37 -9.606 -20.554 -13.844 273 HD2 LYS 37 HD2 LYS 37 -12.176 -20.689 -13.489 274 HD3 LYS 37 HD3 LYS 37 -12.023 -19.001 -12.997 275 HE2 LYS 37 HE2 LYS 37 -11.281 -18.330 -15.103 276 HE3 LYS 37 HE3 LYS 37 -10.826 -19.969 -15.569 277 HZ1 LYS 37 HZ1 LYS 37 -12.996 -18.883 -16.482 278 HZ2 LYS 37 HZ2 LYS 37 -13.647 -19.392 -15.006 279 HZ3 LYS 37 HZ3 LYS 37 -12.972 -20.523 -16.067 280 H ASN 38 H ASN 38 -10.901 -19.876 -8.253 281 HA ASN 38 HA ASN 38 -10.809 -20.989 -6.273 282 HB2 ASN 38 HB2 ASN 38 -13.034 -21.832 -7.146 283 HB3 ASN 38 HB3 ASN 38 -12.183 -23.274 -7.691 284 HD21 ASN 38 HD21 ASN 38 -12.265 -24.913 -6.353 285 HD22 ASN 38 HD22 ASN 38 -12.438 -24.825 -4.636 286 H TYR 39 H TYR 39 -8.540 -21.137 -7.873 287 HA TYR 39 HA TYR 39 -6.564 -22.242 -8.100 288 HB2 TYR 39 HB2 TYR 39 -7.470 -24.094 -5.906 289 HB3 TYR 39 HB3 TYR 39 -5.837 -23.553 -6.278 290 HD1 TYR 39 HD1 TYR 39 -5.803 -20.766 -6.311 291 HD2 TYR 39 HD2 TYR 39 -8.248 -23.281 -3.902 292 HE1 TYR 39 HE1 TYR 39 -6.020 -18.960 -4.656 293 HE2 TYR 39 HE2 TYR 39 -8.472 -21.481 -2.240 294 HH TYR 39 HH TYR 39 -7.964 -19.390 -1.712 295 H ASP 40 H ASP 40 -8.069 -22.976 -10.065 296 HA ASP 40 HA ASP 40 -8.098 -25.920 -10.118 297 HB2 ASP 40 HB2 ASP 40 -9.900 -23.876 -11.192 298 HB3 ASP 40 HB3 ASP 40 -9.459 -25.107 -12.373 299 H ILE 41 H ILE 41 -7.257 -27.011 -11.935 300 HA ILE 41 HA ILE 41 -5.174 -25.489 -13.334 301 HB ILE 41 HB ILE 41 -5.368 -28.483 -13.340 302 HG12 ILE 41 HG12 ILE 41 -5.477 -27.858 -10.993 303 HG13 ILE 41 HG13 ILE 41 -3.878 -28.499 -11.356 304 HG21 ILE 41 HG21 ILE 41 -2.755 -27.222 -13.159 305 HG22 ILE 41 HG22 ILE 41 -3.363 -28.407 -14.314 306 HG23 ILE 41 HG23 ILE 41 -3.674 -26.690 -14.566 307 HD11 ILE 41 HD11 ILE 41 -2.957 -26.275 -11.410 308 HD12 ILE 41 HD12 ILE 41 -4.559 -25.575 -11.175 309 HD13 ILE 41 HD13 ILE 41 -3.816 -26.531 -9.892 310 H GLY 42 H GLY 42 -8.057 -27.369 -13.832 311 HA2 GLY 42 HA2 GLY 42 -7.641 -27.621 -16.691 312 HA3 GLY 42 HA3 GLY 42 -9.056 -28.145 -15.790 313 H ALA 43 H ALA 43 -9.080 -25.348 -14.544 314 HA ALA 43 HA ALA 43 -10.731 -24.166 -16.636 315 HB1 ALA 43 HB1 ALA 43 -10.400 -23.592 -13.705 316 HB2 ALA 43 HB2 ALA 43 -11.327 -22.542 -14.777 317 HB3 ALA 43 HB3 ALA 43 -11.816 -24.220 -14.547 318 H ALA 44 H ALA 44 -7.755 -23.574 -14.893 319 HA ALA 44 HA ALA 44 -7.434 -20.889 -15.873 320 HB1 ALA 44 HB1 ALA 44 -6.495 -21.739 -13.706 321 HB2 ALA 44 HB2 ALA 44 -5.314 -22.644 -14.653 322 HB3 ALA 44 HB3 ALA 44 -5.347 -20.883 -14.735 323 H LEU 45 H LEU 45 -6.844 -24.018 -17.096 324 HA LEU 45 HA LEU 45 -4.655 -23.345 -18.819 325 HB2 LEU 45 HB2 LEU 45 -6.465 -25.688 -18.480 326 HB3 LEU 45 HB3 LEU 45 -5.519 -25.547 -19.961 327 HG LEU 45 HG LEU 45 -4.274 -25.504 -17.220 328 HD11 LEU 45 HD11 LEU 45 -5.634 -27.626 -17.920 329 HD12 LEU 45 HD12 LEU 45 -4.027 -27.785 -17.213 330 HD13 LEU 45 HD13 LEU 45 -4.240 -27.925 -18.958 331 HD21 LEU 45 HD21 LEU 45 -2.691 -26.561 -19.373 332 HD22 LEU 45 HD22 LEU 45 -2.362 -25.197 -18.304 333 HD23 LEU 45 HD23 LEU 45 -3.292 -24.954 -19.783 334 H ASP 46 H ASP 46 -8.050 -22.944 -18.937 335 HA ASP 46 HA ASP 46 -7.941 -22.412 -21.831 336 HB2 ASP 46 HB2 ASP 46 -9.761 -23.932 -20.352 337 HB3 ASP 46 HB3 ASP 46 -10.615 -22.433 -20.708 338 H THR 47 H THR 47 -7.127 -20.649 -19.553 339 HA THR 47 HA THR 47 -9.010 -18.429 -20.012 340 HB THR 47 HB THR 47 -7.013 -18.501 -17.764 341 HG1 THR 47 HG1 THR 47 -9.714 -19.367 -17.552 342 HG21 THR 47 HG21 THR 47 -9.379 -16.874 -18.528 343 HG22 THR 47 HG22 THR 47 -7.858 -16.378 -17.788 344 HG23 THR 47 HG23 THR 47 -9.101 -17.157 -16.809 345 H ILE 48 H ILE 48 -6.481 -19.450 -21.480 346 HA ILE 48 HA ILE 48 -5.104 -16.844 -21.550 347 HB ILE 48 HB ILE 48 -3.708 -19.273 -22.544 348 HG12 ILE 48 HG12 ILE 48 -2.815 -19.337 -20.031 349 HG13 ILE 48 HG13 ILE 48 -4.447 -18.765 -19.702 350 HG21 ILE 48 HG21 ILE 48 -2.496 -17.307 -22.845 351 HG22 ILE 48 HG22 ILE 48 -2.961 -16.667 -21.270 352 HG23 ILE 48 HG23 ILE 48 -1.806 -17.996 -21.375 353 HD11 ILE 48 HD11 ILE 48 -4.579 -20.951 -21.525 354 HD12 ILE 48 HD12 ILE 48 -3.580 -21.402 -20.144 355 HD13 ILE 48 HD13 ILE 48 -5.226 -20.821 -19.890 356 H GLN 49 H GLN 49 -6.498 -19.475 -23.375 357 HA GLN 49 HA GLN 49 -5.641 -18.939 -25.937 358 HB2 GLN 49 HB2 GLN 49 -8.420 -19.775 -25.090 359 HB3 GLN 49 HB3 GLN 49 -7.752 -19.940 -26.708 360 HG2 GLN 49 HG2 GLN 49 -6.471 -21.228 -24.324 361 HG3 GLN 49 HG3 GLN 49 -7.772 -22.004 -25.226 362 HE21 GLN 49 HE21 GLN 49 -5.091 -22.945 -24.908 363 HE22 GLN 49 HE22 GLN 49 -4.389 -23.030 -26.483 364 H TYR 50 H TYR 50 -8.405 -17.488 -24.237 365 HA TYR 50 HA TYR 50 -8.070 -14.968 -25.466 366 HB2 TYR 50 HB2 TYR 50 -10.060 -14.914 -26.887 367 HB3 TYR 50 HB3 TYR 50 -8.935 -16.149 -27.442 368 HD1 TYR 50 HD1 TYR 50 -12.198 -15.524 -25.902 369 HD2 TYR 50 HD2 TYR 50 -9.483 -18.508 -27.254 370 HE1 TYR 50 HE1 TYR 50 -13.997 -17.199 -25.799 371 HE2 TYR 50 HE2 TYR 50 -11.275 -20.191 -27.157 372 HH TYR 50 HH TYR 50 -14.599 -19.301 -26.510 373 H SER 51 H SER 51 -10.318 -17.231 -23.955 374 HA SER 51 HA SER 51 -11.751 -17.012 -22.202 375 HB2 SER 51 HB2 SER 51 -10.442 -14.345 -21.649 376 HB3 SER 51 HB3 SER 51 -11.286 -15.389 -20.505 377 HG SER 51 HG SER 51 -8.734 -15.369 -20.982 378 H LYS 52 H LYS 52 -13.736 -16.031 -21.637 379 HA LYS 52 HA LYS 52 -14.819 -14.353 -23.759 380 HB2 LYS 52 HB2 LYS 52 -16.270 -15.641 -21.442 381 HB3 LYS 52 HB3 LYS 52 -16.996 -14.940 -22.882 382 HG2 LYS 52 HG2 LYS 52 -15.132 -16.914 -23.709 383 HG3 LYS 52 HG3 LYS 52 -16.153 -17.606 -22.446 384 HD2 LYS 52 HD2 LYS 52 -18.015 -16.332 -23.927 385 HD3 LYS 52 HD3 LYS 52 -16.839 -16.734 -25.181 386 HE2 LYS 52 HE2 LYS 52 -16.894 -19.095 -24.060 387 HE3 LYS 52 HE3 LYS 52 -18.444 -18.543 -23.427 388 HZ1 LYS 52 HZ1 LYS 52 -18.293 -19.774 -25.709 389 HZ2 LYS 52 HZ2 LYS 52 -17.910 -18.233 -26.293 390 HZ3 LYS 52 HZ3 LYS 52 -19.378 -18.493 -25.494 391 H HIS 53 H HIS 53 -14.010 -14.214 -20.374 392 HA HIS 53 HA HIS 53 -15.450 -11.798 -19.830 393 HB2 HIS 53 HB2 HIS 53 -13.332 -13.340 -18.342 394 HB3 HIS 53 HB3 HIS 53 -13.933 -11.792 -17.756 395 HD1 HIS 53 HD1 HIS 53 -15.737 -12.041 -16.100 396 HD2 HIS 53 HD2 HIS 53 -15.718 -15.176 -18.827 397 HE1 HIS 53 HE1 HIS 53 -17.601 -13.569 -15.381 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -2.046 -4.545 -4.822 2 HA2 GLY 1 HA2 GLY 1 -4.501 -5.164 -5.448 3 HA3 GLY 1 HA3 GLY 1 -4.590 -3.441 -5.783 4 HA PRO 2 HA PRO 2 -2.956 -3.972 -9.811 5 HB2 PRO 2 HB2 PRO 2 -1.092 -2.012 -10.050 6 HB3 PRO 2 HB3 PRO 2 -2.829 -1.687 -10.011 7 HG2 PRO 2 HG2 PRO 2 -0.812 -1.474 -7.809 8 HG3 PRO 2 HG3 PRO 2 -2.128 -0.364 -8.231 9 HD2 PRO 2 HD2 PRO 2 -2.318 -2.143 -6.199 10 HD3 PRO 2 HD3 PRO 2 -3.721 -1.647 -7.168 11 H LEU 3 H LEU 3 -1.469 -5.172 -10.881 12 HA LEU 3 HA LEU 3 0.351 -6.475 -11.277 13 HB2 LEU 3 HB2 LEU 3 1.340 -4.038 -10.403 14 HB3 LEU 3 HB3 LEU 3 2.193 -5.223 -9.416 15 HG LEU 3 HG LEU 3 2.245 -6.056 -12.156 16 HD11 LEU 3 HD11 LEU 3 1.901 -3.626 -12.580 17 HD12 LEU 3 HD12 LEU 3 3.436 -4.255 -13.180 18 HD13 LEU 3 HD13 LEU 3 3.392 -3.310 -11.692 19 HD21 LEU 3 HD21 LEU 3 3.802 -6.401 -10.058 20 HD22 LEU 3 HD22 LEU 3 4.622 -4.987 -10.721 21 HD23 LEU 3 HD23 LEU 3 4.451 -6.446 -11.698 22 H GLY 4 H GLY 4 1.939 -7.981 -10.212 23 HA2 GLY 4 HA2 GLY 4 0.673 -9.085 -7.816 24 HA3 GLY 4 HA3 GLY 4 1.799 -9.923 -8.874 25 H SER 5 H SER 5 1.926 -9.855 -6.029 26 HA SER 5 HA SER 5 4.596 -8.695 -5.736 27 HB2 SER 5 HB2 SER 5 2.738 -7.165 -4.787 28 HB3 SER 5 HB3 SER 5 2.588 -8.378 -3.515 29 HG SER 5 HG SER 5 4.169 -6.462 -3.350 30 H GLU 6 H GLU 6 2.092 -10.529 -3.976 31 HA GLU 6 HA GLU 6 4.164 -12.506 -3.291 32 HB2 GLU 6 HB2 GLU 6 1.875 -11.749 -1.476 33 HB3 GLU 6 HB3 GLU 6 3.247 -12.782 -1.098 34 HG2 GLU 6 HG2 GLU 6 4.679 -10.700 -1.546 35 HG3 GLU 6 HG3 GLU 6 3.166 -9.807 -1.405 36 H ALA 7 H ALA 7 2.665 -14.415 -2.098 37 HA ALA 7 HA ALA 7 0.384 -15.026 -3.802 38 HB1 ALA 7 HB1 ALA 7 1.987 -15.992 -5.188 39 HB2 ALA 7 HB2 ALA 7 2.949 -16.577 -3.830 40 HB3 ALA 7 HB3 ALA 7 1.409 -17.346 -4.216 41 H ASP 8 H ASP 8 -0.220 -17.514 -3.166 42 HA ASP 8 HA ASP 8 -0.183 -17.626 -0.222 43 HB2 ASP 8 HB2 ASP 8 -2.437 -17.395 -2.008 44 HB3 ASP 8 HB3 ASP 8 -2.535 -18.898 -1.095 45 HA PRO 9 HA PRO 9 1.104 -21.811 -0.482 46 HB2 PRO 9 HB2 PRO 9 -0.272 -22.972 1.550 47 HB3 PRO 9 HB3 PRO 9 1.078 -21.862 1.815 48 HG2 PRO 9 HG2 PRO 9 -1.865 -21.326 1.924 49 HG3 PRO 9 HG3 PRO 9 -0.586 -20.772 3.020 50 HD2 PRO 9 HD2 PRO 9 -1.632 -19.192 1.086 51 HD3 PRO 9 HD3 PRO 9 0.061 -19.069 1.608 52 H ARG 10 H ARG 10 -2.398 -21.335 -0.273 53 HA ARG 10 HA ARG 10 -2.916 -23.926 -1.480 54 HB2 ARG 10 HB2 ARG 10 -4.934 -21.774 -0.853 55 HB3 ARG 10 HB3 ARG 10 -5.225 -23.494 -1.074 56 HG2 ARG 10 HG2 ARG 10 -3.647 -22.290 1.191 57 HG3 ARG 10 HG3 ARG 10 -5.338 -22.790 1.280 58 HD2 ARG 10 HD2 ARG 10 -4.333 -25.060 0.363 59 HD3 ARG 10 HD3 ARG 10 -2.868 -24.437 1.121 60 HE ARG 10 HE ARG 10 -5.069 -24.263 2.897 61 HH11 ARG 10 HH11 ARG 10 -2.834 -26.536 1.497 62 HH12 ARG 10 HH12 ARG 10 -2.924 -27.643 2.827 63 HH21 ARG 10 HH21 ARG 10 -5.196 -25.712 4.654 64 HH22 ARG 10 HH22 ARG 10 -4.268 -27.174 4.622 65 H LEU 11 H LEU 11 -1.773 -21.241 -2.737 66 HA LEU 11 HA LEU 11 -3.449 -21.369 -5.157 67 HB2 LEU 11 HB2 LEU 11 -3.613 -19.191 -4.230 68 HB3 LEU 11 HB3 LEU 11 -1.872 -19.099 -3.972 69 HG LEU 11 HG LEU 11 -1.631 -19.131 -6.493 70 HD11 LEU 11 HD11 LEU 11 -3.545 -19.794 -7.496 71 HD12 LEU 11 HD12 LEU 11 -3.892 -18.066 -7.444 72 HD13 LEU 11 HD13 LEU 11 -4.573 -19.139 -6.221 73 HD21 LEU 11 HD21 LEU 11 -2.700 -16.681 -6.554 74 HD22 LEU 11 HD22 LEU 11 -1.189 -17.049 -5.723 75 HD23 LEU 11 HD23 LEU 11 -2.694 -16.944 -4.809 76 H ILE 12 H ILE 12 -0.130 -20.976 -3.970 77 HA ILE 12 HA ILE 12 1.205 -21.031 -6.410 78 HB ILE 12 HB ILE 12 3.169 -21.844 -5.163 79 HG12 ILE 12 HG12 ILE 12 2.387 -21.804 -2.508 80 HG13 ILE 12 HG13 ILE 12 1.085 -22.689 -3.296 81 HG21 ILE 12 HG21 ILE 12 1.528 -19.543 -4.340 82 HG22 ILE 12 HG22 ILE 12 2.824 -19.993 -3.232 83 HG23 ILE 12 HG23 ILE 12 3.195 -19.605 -4.912 84 HD11 ILE 12 HD11 ILE 12 3.792 -23.511 -2.689 85 HD12 ILE 12 HD12 ILE 12 2.374 -24.480 -3.085 86 HD13 ILE 12 HD13 ILE 12 3.364 -23.797 -4.375 87 H GLU 13 H GLU 13 -0.235 -23.615 -4.570 88 HA GLU 13 HA GLU 13 1.072 -25.829 -5.617 89 HB2 GLU 13 HB2 GLU 13 -1.148 -27.016 -5.208 90 HB3 GLU 13 HB3 GLU 13 -0.412 -26.212 -3.828 91 HG2 GLU 13 HG2 GLU 13 -1.993 -24.536 -3.787 92 HG3 GLU 13 HG3 GLU 13 -2.431 -24.766 -5.479 93 H SER 14 H SER 14 -1.518 -23.881 -6.981 94 HA SER 14 HA SER 14 -1.949 -25.637 -9.216 95 HB2 SER 14 HB2 SER 14 -3.041 -23.035 -8.287 96 HB3 SER 14 HB3 SER 14 -3.132 -23.361 -10.017 97 HG SER 14 HG SER 14 -4.732 -24.259 -8.140 98 H LEU 15 H LEU 15 -0.508 -22.405 -8.816 99 HA LEU 15 HA LEU 15 0.267 -21.901 -11.402 100 HB2 LEU 15 HB2 LEU 15 1.675 -21.259 -8.820 101 HB3 LEU 15 HB3 LEU 15 2.175 -20.615 -10.383 102 HG LEU 15 HG LEU 15 -0.631 -20.113 -9.892 103 HD11 LEU 15 HD11 LEU 15 -0.133 -18.366 -8.112 104 HD12 LEU 15 HD12 LEU 15 1.350 -19.268 -7.799 105 HD13 LEU 15 HD13 LEU 15 -0.218 -20.046 -7.583 106 HD21 LEU 15 HD21 LEU 15 -0.140 -18.190 -10.950 107 HD22 LEU 15 HD22 LEU 15 1.369 -19.012 -11.347 108 HD23 LEU 15 HD23 LEU 15 1.304 -17.901 -9.979 109 H SER 16 H SER 16 1.900 -23.898 -8.991 110 HA SER 16 HA SER 16 4.306 -24.366 -10.268 111 HB2 SER 16 HB2 SER 16 2.625 -25.974 -8.384 112 HB3 SER 16 HB3 SER 16 4.038 -26.728 -9.123 113 HG SER 16 HG SER 16 3.886 -24.638 -7.281 114 H GLN 17 H GLN 17 1.146 -25.722 -10.921 115 HA GLN 17 HA GLN 17 2.170 -27.682 -12.783 116 HB2 GLN 17 HB2 GLN 17 -0.713 -26.867 -12.492 117 HB3 GLN 17 HB3 GLN 17 -0.064 -28.408 -13.036 118 HG2 GLN 17 HG2 GLN 17 0.927 -28.021 -10.443 119 HG3 GLN 17 HG3 GLN 17 -0.775 -27.564 -10.396 120 HE21 GLN 17 HE21 GLN 17 -1.811 -29.283 -12.284 121 HE22 GLN 17 HE22 GLN 17 -1.674 -30.908 -11.712 122 H MET 18 H MET 18 0.608 -24.531 -12.901 123 HA MET 18 HA MET 18 0.164 -24.500 -15.703 124 HB2 MET 18 HB2 MET 18 0.532 -22.113 -13.888 125 HB3 MET 18 HB3 MET 18 -0.302 -22.151 -15.436 126 HG2 MET 18 HG2 MET 18 -1.419 -24.077 -13.604 127 HG3 MET 18 HG3 MET 18 -1.420 -22.456 -12.913 128 HE1 MET 18 HE1 MET 18 -1.896 -22.612 -17.013 129 HE2 MET 18 HE2 MET 18 -1.730 -24.181 -16.224 130 HE3 MET 18 HE3 MET 18 -3.287 -23.690 -16.891 131 H LEU 19 H LEU 19 2.568 -22.715 -13.756 132 HA LEU 19 HA LEU 19 4.088 -21.744 -15.860 133 HB2 LEU 19 HB2 LEU 19 5.199 -22.605 -13.199 134 HB3 LEU 19 HB3 LEU 19 5.837 -21.366 -14.278 135 HG LEU 19 HG LEU 19 3.244 -21.194 -12.742 136 HD11 LEU 19 HD11 LEU 19 5.596 -19.429 -12.274 137 HD12 LEU 19 HD12 LEU 19 5.581 -21.043 -11.562 138 HD13 LEU 19 HD13 LEU 19 4.298 -19.897 -11.176 139 HD21 LEU 19 HD21 LEU 19 4.030 -18.671 -13.588 140 HD22 LEU 19 HD22 LEU 19 2.707 -19.638 -14.239 141 HD23 LEU 19 HD23 LEU 19 4.302 -19.709 -14.989 142 H SER 20 H SER 20 4.107 -24.899 -14.350 143 HA SER 20 HA SER 20 6.524 -25.754 -15.667 144 HB2 SER 20 HB2 SER 20 5.830 -26.658 -13.456 145 HB3 SER 20 HB3 SER 20 4.438 -27.415 -14.230 146 HG SER 20 HG SER 20 6.393 -28.750 -13.932 147 H MET 21 H MET 21 3.134 -25.748 -16.348 148 HA MET 21 HA MET 21 3.264 -27.790 -18.377 149 HB2 MET 21 HB2 MET 21 1.177 -26.059 -17.198 150 HB3 MET 21 HB3 MET 21 0.923 -26.525 -18.875 151 HG2 MET 21 HG2 MET 21 1.177 -28.891 -18.216 152 HG3 MET 21 HG3 MET 21 1.314 -28.376 -16.537 153 HE1 MET 21 HE1 MET 21 -2.240 -26.597 -16.137 154 HE2 MET 21 HE2 MET 21 -0.667 -26.843 -15.380 155 HE3 MET 21 HE3 MET 21 -0.802 -25.840 -16.824 156 H GLY 22 H GLY 22 3.427 -24.293 -18.229 157 HA2 GLY 22 HA2 GLY 22 4.877 -23.529 -20.222 158 HA3 GLY 22 HA3 GLY 22 3.541 -24.169 -21.167 159 H PHE 23 H PHE 23 3.545 -22.277 -18.160 160 HA PHE 23 HA PHE 23 2.261 -20.069 -19.602 161 HB2 PHE 23 HB2 PHE 23 1.219 -21.349 -17.067 162 HB3 PHE 23 HB3 PHE 23 0.630 -19.826 -17.726 163 HD1 PHE 23 HD1 PHE 23 -0.675 -19.781 -19.782 164 HD2 PHE 23 HD2 PHE 23 0.640 -23.449 -18.068 165 HE1 PHE 23 HE1 PHE 23 -2.278 -21.009 -21.188 166 HE2 PHE 23 HE2 PHE 23 -0.961 -24.683 -19.472 167 HZ PHE 23 HZ PHE 23 -2.423 -23.462 -21.033 168 H SER 24 H SER 24 1.921 -18.190 -17.882 169 HA SER 24 HA SER 24 4.201 -18.026 -16.062 170 HB2 SER 24 HB2 SER 24 4.720 -17.087 -18.441 171 HB3 SER 24 HB3 SER 24 3.710 -15.732 -17.938 172 HG SER 24 HG SER 24 5.961 -15.438 -17.476 173 H ASP 25 H ASP 25 4.049 -15.415 -15.327 174 HA ASP 25 HA ASP 25 1.253 -14.953 -14.560 175 HB2 ASP 25 HB2 ASP 25 2.054 -14.359 -12.251 176 HB3 ASP 25 HB3 ASP 25 2.178 -16.070 -12.652 177 H GLU 26 H GLU 26 2.893 -13.673 -16.551 178 HA GLU 26 HA GLU 26 3.986 -11.244 -15.632 179 HB2 GLU 26 HB2 GLU 26 2.796 -11.818 -18.351 180 HB3 GLU 26 HB3 GLU 26 3.930 -10.534 -17.956 181 HG2 GLU 26 HG2 GLU 26 4.945 -13.132 -17.194 182 HG3 GLU 26 HG3 GLU 26 4.541 -13.058 -18.908 183 H GLY 27 H GLY 27 2.956 -9.621 -14.684 184 HA2 GLY 27 HA2 GLY 27 1.423 -7.829 -14.663 185 HA3 GLY 27 HA3 GLY 27 0.395 -8.725 -15.771 186 H GLY 28 H GLY 28 0.387 -11.174 -14.251 187 HA2 GLY 28 HA2 GLY 28 -0.263 -11.847 -11.993 188 HA3 GLY 28 HA3 GLY 28 -1.092 -10.305 -11.846 189 H TRP 29 H TRP 29 -1.131 -12.649 -14.509 190 HA TRP 29 HA TRP 29 -4.047 -12.614 -14.421 191 HB2 TRP 29 HB2 TRP 29 -4.004 -13.496 -16.624 192 HB3 TRP 29 HB3 TRP 29 -2.715 -12.297 -16.565 193 HD1 TRP 29 HD1 TRP 29 -0.179 -13.221 -16.591 194 HE1 TRP 29 HE1 TRP 29 0.805 -15.443 -17.440 195 HE3 TRP 29 HE3 TRP 29 -4.483 -15.968 -16.858 196 HZ2 TRP 29 HZ2 TRP 29 -0.120 -18.018 -18.132 197 HZ3 TRP 29 HZ3 TRP 29 -4.347 -18.302 -17.624 198 HH2 TRP 29 HH2 TRP 29 -2.210 -19.304 -18.248 199 H LEU 30 H LEU 30 -1.419 -14.605 -13.510 200 HA LEU 30 HA LEU 30 -3.159 -16.963 -13.299 201 HB2 LEU 30 HB2 LEU 30 -0.866 -17.025 -14.448 202 HB3 LEU 30 HB3 LEU 30 -0.197 -16.925 -12.820 203 HG LEU 30 HG LEU 30 -1.384 -19.027 -12.253 204 HD11 LEU 30 HD11 LEU 30 -2.927 -18.524 -14.422 205 HD12 LEU 30 HD12 LEU 30 -2.777 -20.100 -13.647 206 HD13 LEU 30 HD13 LEU 30 -1.809 -19.723 -15.073 207 HD21 LEU 30 HD21 LEU 30 0.131 -19.890 -14.590 208 HD22 LEU 30 HD22 LEU 30 0.426 -20.179 -12.875 209 HD23 LEU 30 HD23 LEU 30 0.970 -18.677 -13.622 210 H THR 31 H THR 31 -2.374 -14.394 -11.496 211 HA THR 31 HA THR 31 -1.909 -15.805 -8.988 212 HB THR 31 HB THR 31 -0.627 -13.763 -9.369 213 HG1 THR 31 HG1 THR 31 -0.841 -13.737 -7.259 214 HG21 THR 31 HG21 THR 31 -2.914 -12.785 -10.535 215 HG22 THR 31 HG22 THR 31 -1.491 -11.831 -10.118 216 HG23 THR 31 HG23 THR 31 -2.857 -11.909 -9.005 217 H ARG 32 H ARG 32 -4.485 -14.397 -10.781 218 HA ARG 32 HA ARG 32 -6.263 -14.663 -8.445 219 HB2 ARG 32 HB2 ARG 32 -6.640 -12.866 -10.848 220 HB3 ARG 32 HB3 ARG 32 -7.708 -12.977 -9.455 221 HG2 ARG 32 HG2 ARG 32 -4.914 -12.352 -8.816 222 HG3 ARG 32 HG3 ARG 32 -5.760 -11.125 -9.760 223 HD2 ARG 32 HD2 ARG 32 -7.454 -12.091 -7.654 224 HD3 ARG 32 HD3 ARG 32 -5.904 -11.573 -6.991 225 HE ARG 32 HE ARG 32 -7.963 -9.902 -8.026 226 HH11 ARG 32 HH11 ARG 32 -4.509 -10.200 -7.708 227 HH12 ARG 32 HH12 ARG 32 -4.225 -8.492 -7.770 228 HH21 ARG 32 HH21 ARG 32 -7.602 -7.651 -8.109 229 HH22 ARG 32 HH22 ARG 32 -5.985 -7.043 -7.997 230 H LEU 33 H LEU 33 -5.670 -15.487 -11.763 231 HA LEU 33 HA LEU 33 -8.135 -16.372 -12.628 232 HB2 LEU 33 HB2 LEU 33 -6.453 -16.401 -14.222 233 HB3 LEU 33 HB3 LEU 33 -5.336 -17.268 -13.171 234 HG LEU 33 HG LEU 33 -6.566 -19.330 -13.517 235 HD11 LEU 33 HD11 LEU 33 -8.429 -19.455 -15.075 236 HD12 LEU 33 HD12 LEU 33 -8.364 -17.709 -15.315 237 HD13 LEU 33 HD13 LEU 33 -8.805 -18.366 -13.739 238 HD21 LEU 33 HD21 LEU 33 -6.360 -19.299 -16.157 239 HD22 LEU 33 HD22 LEU 33 -4.940 -19.266 -15.111 240 HD23 LEU 33 HD23 LEU 33 -5.542 -17.771 -15.828 241 H LEU 34 H LEU 34 -5.654 -18.300 -10.942 242 HA LEU 34 HA LEU 34 -7.115 -20.663 -10.734 243 HB2 LEU 34 HB2 LEU 34 -4.932 -19.472 -9.055 244 HB3 LEU 34 HB3 LEU 34 -5.647 -21.035 -8.664 245 HG LEU 34 HG LEU 34 -3.619 -21.434 -9.846 246 HD11 LEU 34 HD11 LEU 34 -5.790 -22.687 -10.466 247 HD12 LEU 34 HD12 LEU 34 -4.373 -22.871 -11.498 248 HD13 LEU 34 HD13 LEU 34 -5.682 -21.793 -11.983 249 HD21 LEU 34 HD21 LEU 34 -4.492 -20.014 -12.300 250 HD22 LEU 34 HD22 LEU 34 -2.869 -20.308 -11.675 251 HD23 LEU 34 HD23 LEU 34 -3.871 -19.040 -10.967 252 H GLN 35 H GLN 35 -6.892 -17.936 -8.470 253 HA GLN 35 HA GLN 35 -8.408 -18.919 -6.388 254 HB2 GLN 35 HB2 GLN 35 -8.250 -16.105 -7.472 255 HB3 GLN 35 HB3 GLN 35 -9.015 -16.521 -5.944 256 HG2 GLN 35 HG2 GLN 35 -6.763 -17.574 -5.327 257 HG3 GLN 35 HG3 GLN 35 -6.120 -16.661 -6.691 258 HE21 GLN 35 HE21 GLN 35 -6.063 -16.561 -3.577 259 HE22 GLN 35 HE22 GLN 35 -6.235 -14.873 -3.255 260 H THR 36 H THR 36 -9.528 -17.304 -9.337 261 HA THR 36 HA THR 36 -12.279 -17.341 -8.648 262 HB THR 36 HB THR 36 -12.267 -17.316 -11.398 263 HG1 THR 36 HG1 THR 36 -10.123 -17.236 -11.753 264 HG21 THR 36 HG21 THR 36 -12.127 -15.207 -9.289 265 HG22 THR 36 HG22 THR 36 -13.457 -15.630 -10.367 266 HG23 THR 36 HG23 THR 36 -12.071 -14.733 -10.986 267 H LYS 37 H LYS 37 -10.128 -19.691 -9.996 268 HA LYS 37 HA LYS 37 -12.358 -21.415 -10.796 269 HB2 LYS 37 HB2 LYS 37 -9.446 -21.318 -11.431 270 HB3 LYS 37 HB3 LYS 37 -10.254 -22.879 -11.496 271 HG2 LYS 37 HG2 LYS 37 -10.161 -21.747 -13.679 272 HG3 LYS 37 HG3 LYS 37 -11.812 -22.061 -13.137 273 HD2 LYS 37 HD2 LYS 37 -12.201 -19.813 -12.638 274 HD3 LYS 37 HD3 LYS 37 -10.479 -19.430 -12.594 275 HE2 LYS 37 HE2 LYS 37 -10.382 -19.882 -15.038 276 HE3 LYS 37 HE3 LYS 37 -12.132 -20.091 -15.028 277 HZ1 LYS 37 HZ1 LYS 37 -10.630 -17.619 -14.364 278 HZ2 LYS 37 HZ2 LYS 37 -12.298 -17.798 -14.150 279 HZ3 LYS 37 HZ3 LYS 37 -11.632 -17.874 -15.702 280 H ASN 38 H ASN 38 -10.983 -20.747 -8.009 281 HA ASN 38 HA ASN 38 -10.788 -21.820 -6.013 282 HB2 ASN 38 HB2 ASN 38 -12.979 -22.848 -6.868 283 HB3 ASN 38 HB3 ASN 38 -12.013 -24.260 -7.288 284 HD21 ASN 38 HD21 ASN 38 -13.692 -25.112 -5.718 285 HD22 ASN 38 HD22 ASN 38 -13.228 -25.157 -4.054 286 H TYR 39 H TYR 39 -8.531 -21.783 -7.510 287 HA TYR 39 HA TYR 39 -6.508 -22.771 -7.855 288 HB2 TYR 39 HB2 TYR 39 -7.236 -24.631 -5.599 289 HB3 TYR 39 HB3 TYR 39 -5.644 -24.025 -6.042 290 HD1 TYR 39 HD1 TYR 39 -5.897 -21.194 -6.215 291 HD2 TYR 39 HD2 TYR 39 -7.826 -23.853 -3.511 292 HE1 TYR 39 HE1 TYR 39 -6.142 -19.360 -4.595 293 HE2 TYR 39 HE2 TYR 39 -8.077 -22.026 -1.884 294 HH TYR 39 HH TYR 39 -7.691 -18.811 -2.655 295 H ASP 40 H ASP 40 -8.084 -23.651 -9.739 296 HA ASP 40 HA ASP 40 -7.857 -26.586 -9.764 297 HB2 ASP 40 HB2 ASP 40 -9.864 -24.708 -10.793 298 HB3 ASP 40 HB3 ASP 40 -9.391 -25.949 -11.951 299 H ILE 41 H ILE 41 -6.970 -27.633 -11.567 300 HA ILE 41 HA ILE 41 -5.113 -25.960 -13.102 301 HB ILE 41 HB ILE 41 -5.036 -28.958 -13.056 302 HG12 ILE 41 HG12 ILE 41 -5.104 -28.311 -10.715 303 HG13 ILE 41 HG13 ILE 41 -3.469 -28.807 -11.137 304 HG21 ILE 41 HG21 ILE 41 -3.151 -28.684 -14.200 305 HG22 ILE 41 HG22 ILE 41 -3.528 -26.966 -14.302 306 HG23 ILE 41 HG23 ILE 41 -2.516 -27.569 -12.991 307 HD11 ILE 41 HD11 ILE 41 -4.434 -25.966 -10.914 308 HD12 ILE 41 HD12 ILE 41 -3.484 -26.834 -9.708 309 HD13 ILE 41 HD13 ILE 41 -2.791 -26.481 -11.291 310 H GLY 42 H GLY 42 -7.799 -28.164 -13.437 311 HA2 GLY 42 HA2 GLY 42 -7.505 -28.390 -16.311 312 HA3 GLY 42 HA3 GLY 42 -8.806 -29.059 -15.336 313 H ALA 43 H ALA 43 -9.002 -26.216 -14.133 314 HA ALA 43 HA ALA 43 -10.928 -25.276 -16.113 315 HB1 ALA 43 HB1 ALA 43 -11.955 -24.074 -14.410 316 HB2 ALA 43 HB2 ALA 43 -11.381 -25.526 -13.588 317 HB3 ALA 43 HB3 ALA 43 -10.488 -24.014 -13.433 318 H ALA 44 H ALA 44 -7.919 -24.316 -14.592 319 HA ALA 44 HA ALA 44 -7.949 -21.661 -15.710 320 HB1 ALA 44 HB1 ALA 44 -5.493 -21.746 -14.900 321 HB2 ALA 44 HB2 ALA 44 -6.791 -21.742 -13.705 322 HB3 ALA 44 HB3 ALA 44 -5.977 -23.251 -14.118 323 H LEU 45 H LEU 45 -7.060 -24.770 -16.793 324 HA LEU 45 HA LEU 45 -5.014 -23.996 -18.628 325 HB2 LEU 45 HB2 LEU 45 -6.599 -26.447 -18.088 326 HB3 LEU 45 HB3 LEU 45 -5.822 -26.304 -19.664 327 HG LEU 45 HG LEU 45 -4.347 -26.099 -17.042 328 HD11 LEU 45 HD11 LEU 45 -3.916 -28.336 -17.056 329 HD12 LEU 45 HD12 LEU 45 -4.132 -28.483 -18.800 330 HD13 LEU 45 HD13 LEU 45 -5.540 -28.350 -17.745 331 HD21 LEU 45 HD21 LEU 45 -2.596 -25.526 -18.276 332 HD22 LEU 45 HD22 LEU 45 -3.638 -25.471 -19.698 333 HD23 LEU 45 HD23 LEU 45 -2.797 -26.964 -19.280 334 H ASP 46 H ASP 46 -8.450 -23.927 -18.665 335 HA ASP 46 HA ASP 46 -8.452 -23.438 -21.568 336 HB2 ASP 46 HB2 ASP 46 -10.089 -25.090 -20.011 337 HB3 ASP 46 HB3 ASP 46 -11.089 -23.690 -20.392 338 H THR 47 H THR 47 -7.751 -21.549 -19.368 339 HA THR 47 HA THR 47 -9.867 -19.542 -19.788 340 HB THR 47 HB THR 47 -7.754 -19.346 -17.654 341 HG1 THR 47 HG1 THR 47 -9.097 -21.355 -17.559 342 HG21 THR 47 HG21 THR 47 -10.364 -18.030 -18.267 343 HG22 THR 47 HG22 THR 47 -8.834 -17.311 -17.767 344 HG23 THR 47 HG23 THR 47 -9.838 -18.155 -16.588 345 H ILE 48 H ILE 48 -7.282 -20.359 -21.328 346 HA ILE 48 HA ILE 48 -6.216 -17.621 -21.566 347 HB ILE 48 HB ILE 48 -4.598 -19.920 -22.532 348 HG12 ILE 48 HG12 ILE 48 -3.604 -19.784 -20.059 349 HG13 ILE 48 HG13 ILE 48 -5.275 -19.383 -19.680 350 HG21 ILE 48 HG21 ILE 48 -4.200 -17.137 -21.624 351 HG22 ILE 48 HG22 ILE 48 -2.902 -18.277 -21.272 352 HG23 ILE 48 HG23 ILE 48 -3.427 -18.026 -22.936 353 HD11 ILE 48 HD11 ILE 48 -4.159 -21.918 -20.005 354 HD12 ILE 48 HD12 ILE 48 -5.862 -21.509 -19.805 355 HD13 ILE 48 HD13 ILE 48 -5.175 -21.657 -21.423 356 H GLN 49 H GLN 49 -7.418 -20.446 -23.217 357 HA GLN 49 HA GLN 49 -6.720 -19.957 -25.835 358 HB2 GLN 49 HB2 GLN 49 -9.394 -20.977 -24.861 359 HB3 GLN 49 HB3 GLN 49 -8.728 -21.198 -26.473 360 HG2 GLN 49 HG2 GLN 49 -7.612 -22.318 -23.912 361 HG3 GLN 49 HG3 GLN 49 -8.476 -23.212 -25.162 362 HE21 GLN 49 HE21 GLN 49 -7.452 -23.647 -27.117 363 HE22 GLN 49 HE22 GLN 49 -5.739 -23.523 -27.302 364 H TYR 50 H TYR 50 -9.480 -18.632 -24.038 365 HA TYR 50 HA TYR 50 -9.441 -16.195 -25.489 366 HB2 TYR 50 HB2 TYR 50 -11.461 -16.366 -26.757 367 HB3 TYR 50 HB3 TYR 50 -10.466 -17.755 -27.181 368 HD1 TYR 50 HD1 TYR 50 -13.515 -16.644 -25.484 369 HD2 TYR 50 HD2 TYR 50 -11.120 -20.001 -26.530 370 HE1 TYR 50 HE1 TYR 50 -15.380 -18.144 -24.918 371 HE2 TYR 50 HE2 TYR 50 -12.978 -21.510 -25.968 372 HH TYR 50 HH TYR 50 -16.068 -20.596 -25.691 373 H SER 51 H SER 51 -10.387 -14.641 -24.309 374 HA SER 51 HA SER 51 -12.700 -14.936 -22.743 375 HB2 SER 51 HB2 SER 51 -11.441 -14.622 -20.483 376 HB3 SER 51 HB3 SER 51 -11.597 -16.246 -21.155 377 HG SER 51 HG SER 51 -9.463 -15.862 -20.511 378 H LYS 52 H LYS 52 -9.653 -13.303 -21.914 379 HA LYS 52 HA LYS 52 -10.889 -10.738 -22.642 380 HB2 LYS 52 HB2 LYS 52 -9.733 -11.562 -20.015 381 HB3 LYS 52 HB3 LYS 52 -9.508 -9.900 -20.544 382 HG2 LYS 52 HG2 LYS 52 -11.433 -9.784 -19.275 383 HG3 LYS 52 HG3 LYS 52 -12.059 -9.910 -20.921 384 HD2 LYS 52 HD2 LYS 52 -13.058 -11.863 -20.490 385 HD3 LYS 52 HD3 LYS 52 -11.622 -12.510 -19.694 386 HE2 LYS 52 HE2 LYS 52 -13.222 -10.458 -18.255 387 HE3 LYS 52 HE3 LYS 52 -13.885 -12.086 -18.382 388 HZ1 LYS 52 HZ1 LYS 52 -11.103 -11.795 -17.521 389 HZ2 LYS 52 HZ2 LYS 52 -12.253 -12.955 -17.081 390 HZ3 LYS 52 HZ3 LYS 52 -12.319 -11.403 -16.413 391 H HIS 53 H HIS 53 -7.916 -12.499 -21.888 392 HA HIS 53 HA HIS 53 -6.206 -10.448 -22.942 393 HB2 HIS 53 HB2 HIS 53 -5.887 -13.012 -21.588 394 HB3 HIS 53 HB3 HIS 53 -4.710 -12.782 -22.877 395 HD1 HIS 53 HD1 HIS 53 -2.622 -11.818 -22.004 396 HD2 HIS 53 HD2 HIS 53 -5.939 -10.398 -19.946 397 HE1 HIS 53 HE1 HIS 53 -1.713 -10.234 -20.276 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -6.766 -1.772 -9.336 2 HA2 GLY 1 HA2 GLY 1 -5.990 -3.979 -9.748 3 HA3 GLY 1 HA3 GLY 1 -4.698 -2.952 -10.353 4 HA PRO 2 HA PRO 2 -3.122 -5.931 -7.065 5 HB2 PRO 2 HB2 PRO 2 -1.392 -7.274 -8.669 6 HB3 PRO 2 HB3 PRO 2 -3.077 -7.762 -8.453 7 HG2 PRO 2 HG2 PRO 2 -1.828 -6.205 -10.683 8 HG3 PRO 2 HG3 PRO 2 -3.021 -7.514 -10.764 9 HD2 PRO 2 HD2 PRO 2 -3.705 -4.904 -10.990 10 HD3 PRO 2 HD3 PRO 2 -4.780 -6.113 -10.257 11 H LEU 3 H LEU 3 -1.557 -5.101 -5.842 12 HA LEU 3 HA LEU 3 0.738 -3.813 -7.160 13 HB2 LEU 3 HB2 LEU 3 -0.979 -2.240 -6.115 14 HB3 LEU 3 HB3 LEU 3 -0.426 -2.859 -4.561 15 HG LEU 3 HG LEU 3 1.899 -2.077 -5.885 16 HD11 LEU 3 HD11 LEU 3 -0.233 0.029 -6.205 17 HD12 LEU 3 HD12 LEU 3 0.506 -0.884 -7.520 18 HD13 LEU 3 HD13 LEU 3 1.487 0.214 -6.549 19 HD21 LEU 3 HD21 LEU 3 0.957 -1.854 -3.439 20 HD22 LEU 3 HD22 LEU 3 0.520 -0.238 -3.993 21 HD23 LEU 3 HD23 LEU 3 2.204 -0.759 -4.037 22 H GLY 4 H GLY 4 1.492 -6.117 -6.783 23 HA2 GLY 4 HA2 GLY 4 3.295 -6.131 -4.589 24 HA3 GLY 4 HA3 GLY 4 1.949 -7.217 -4.276 25 H SER 5 H SER 5 4.310 -8.389 -4.310 26 HA SER 5 HA SER 5 4.254 -9.924 -6.801 27 HB2 SER 5 HB2 SER 5 6.763 -9.939 -6.843 28 HB3 SER 5 HB3 SER 5 6.052 -8.362 -7.185 29 HG SER 5 HG SER 5 7.437 -7.795 -5.679 30 H GLU 6 H GLU 6 3.071 -10.878 -4.636 31 HA GLU 6 HA GLU 6 4.965 -12.892 -3.625 32 HB2 GLU 6 HB2 GLU 6 3.510 -12.897 -1.520 33 HB3 GLU 6 HB3 GLU 6 4.609 -11.542 -1.736 34 HG2 GLU 6 HG2 GLU 6 2.894 -10.064 -2.243 35 HG3 GLU 6 HG3 GLU 6 1.767 -11.359 -2.643 36 H ALA 7 H ALA 7 3.552 -14.718 -2.497 37 HA ALA 7 HA ALA 7 1.134 -15.281 -4.031 38 HB1 ALA 7 HB1 ALA 7 1.897 -17.448 -4.775 39 HB2 ALA 7 HB2 ALA 7 2.999 -16.201 -5.360 40 HB3 ALA 7 HB3 ALA 7 3.454 -17.206 -3.984 41 H ASP 8 H ASP 8 0.686 -17.862 -3.312 42 HA ASP 8 HA ASP 8 0.859 -17.904 -0.379 43 HB2 ASP 8 HB2 ASP 8 -1.521 -17.573 -1.976 44 HB3 ASP 8 HB3 ASP 8 -1.613 -19.069 -1.049 45 HA PRO 9 HA PRO 9 1.929 -22.143 -0.723 46 HB2 PRO 9 HB2 PRO 9 0.675 -23.238 1.421 47 HB3 PRO 9 HB3 PRO 9 2.091 -22.190 1.568 48 HG2 PRO 9 HG2 PRO 9 -0.806 -21.520 1.917 49 HG3 PRO 9 HG3 PRO 9 0.583 -21.024 2.901 50 HD2 PRO 9 HD2 PRO 9 -0.546 -19.401 1.052 51 HD3 PRO 9 HD3 PRO 9 1.187 -19.354 1.432 52 H ARG 10 H ARG 10 -1.512 -21.473 -0.284 53 HA ARG 10 HA ARG 10 -2.247 -24.051 -1.417 54 HB2 ARG 10 HB2 ARG 10 -3.901 -21.760 -0.348 55 HB3 ARG 10 HB3 ARG 10 -4.587 -23.235 -1.017 56 HG2 ARG 10 HG2 ARG 10 -4.318 -24.314 0.900 57 HG3 ARG 10 HG3 ARG 10 -2.621 -23.842 0.997 58 HD2 ARG 10 HD2 ARG 10 -3.100 -21.901 2.184 59 HD3 ARG 10 HD3 ARG 10 -4.785 -21.885 1.664 60 HE ARG 10 HE ARG 10 -4.162 -24.167 3.265 61 HH11 ARG 10 HH11 ARG 10 -4.961 -20.781 3.380 62 HH12 ARG 10 HH12 ARG 10 -5.640 -20.861 4.972 63 HH21 ARG 10 HH21 ARG 10 -5.053 -24.286 5.362 64 HH22 ARG 10 HH22 ARG 10 -5.691 -22.856 6.099 65 H LEU 11 H LEU 11 -1.033 -21.509 -2.809 66 HA LEU 11 HA LEU 11 -2.917 -21.534 -5.076 67 HB2 LEU 11 HB2 LEU 11 -2.925 -19.350 -4.137 68 HB3 LEU 11 HB3 LEU 11 -1.166 -19.321 -4.032 69 HG LEU 11 HG LEU 11 -1.148 -19.368 -6.565 70 HD11 LEU 11 HD11 LEU 11 -4.036 -19.361 -6.046 71 HD12 LEU 11 HD12 LEU 11 -3.134 -19.902 -7.461 72 HD13 LEU 11 HD13 LEU 11 -3.492 -18.189 -7.246 73 HD21 LEU 11 HD21 LEU 11 -1.295 -17.289 -4.767 74 HD22 LEU 11 HD22 LEU 11 -2.522 -16.874 -5.964 75 HD23 LEU 11 HD23 LEU 11 -0.856 -17.158 -6.471 76 H ILE 12 H ILE 12 0.505 -21.147 -4.188 77 HA ILE 12 HA ILE 12 1.643 -21.290 -6.702 78 HB ILE 12 HB ILE 12 3.674 -22.127 -5.622 79 HG12 ILE 12 HG12 ILE 12 3.185 -22.215 -2.931 80 HG13 ILE 12 HG13 ILE 12 1.730 -22.963 -3.578 81 HG21 ILE 12 HG21 ILE 12 3.769 -19.910 -5.267 82 HG22 ILE 12 HG22 ILE 12 2.130 -19.841 -4.622 83 HG23 ILE 12 HG23 ILE 12 3.464 -20.348 -3.586 84 HD11 ILE 12 HD11 ILE 12 4.083 -24.240 -3.052 85 HD12 ILE 12 HD12 ILE 12 2.807 -24.836 -4.113 86 HD13 ILE 12 HD13 ILE 12 4.181 -23.962 -4.791 87 H GLU 13 H GLU 13 0.298 -23.841 -4.735 88 HA GLU 13 HA GLU 13 1.435 -26.092 -5.872 89 HB2 GLU 13 HB2 GLU 13 -0.805 -27.195 -5.327 90 HB3 GLU 13 HB3 GLU 13 0.059 -26.436 -3.997 91 HG2 GLU 13 HG2 GLU 13 -1.438 -24.688 -3.842 92 HG3 GLU 13 HG3 GLU 13 -2.010 -24.895 -5.496 93 H SER 14 H SER 14 -1.192 -24.075 -7.063 94 HA SER 14 HA SER 14 -1.803 -25.812 -9.271 95 HB2 SER 14 HB2 SER 14 -2.772 -23.184 -8.273 96 HB3 SER 14 HB3 SER 14 -2.992 -23.516 -9.991 97 HG SER 14 HG SER 14 -4.247 -24.616 -7.808 98 H LEU 15 H LEU 15 -0.255 -22.622 -8.947 99 HA LEU 15 HA LEU 15 0.357 -22.118 -11.578 100 HB2 LEU 15 HB2 LEU 15 1.924 -21.519 -9.081 101 HB3 LEU 15 HB3 LEU 15 2.373 -20.899 -10.668 102 HG LEU 15 HG LEU 15 -0.388 -20.299 -10.046 103 HD11 LEU 15 HD11 LEU 15 1.725 -19.448 -8.083 104 HD12 LEU 15 HD12 LEU 15 0.195 -20.260 -7.754 105 HD13 LEU 15 HD13 LEU 15 0.203 -18.583 -8.298 106 HD21 LEU 15 HD21 LEU 15 1.626 -18.164 -10.256 107 HD22 LEU 15 HD22 LEU 15 0.112 -18.391 -11.131 108 HD23 LEU 15 HD23 LEU 15 1.554 -19.281 -11.620 109 H SER 16 H SER 16 2.126 -24.139 -9.280 110 HA SER 16 HA SER 16 4.418 -24.664 -10.723 111 HB2 SER 16 HB2 SER 16 2.890 -26.078 -8.623 112 HB3 SER 16 HB3 SER 16 3.993 -27.081 -9.565 113 HG SER 16 HG SER 16 4.534 -25.055 -7.757 114 H GLN 17 H GLN 17 1.186 -25.868 -11.215 115 HA GLN 17 HA GLN 17 2.037 -27.877 -13.124 116 HB2 GLN 17 HB2 GLN 17 -0.798 -26.995 -12.630 117 HB3 GLN 17 HB3 GLN 17 -0.228 -28.546 -13.232 118 HG2 GLN 17 HG2 GLN 17 0.951 -28.205 -10.710 119 HG3 GLN 17 HG3 GLN 17 -0.734 -27.716 -10.542 120 HE21 GLN 17 HE21 GLN 17 -1.931 -29.397 -12.369 121 HE22 GLN 17 HE22 GLN 17 -1.786 -31.029 -11.822 122 H MET 18 H MET 18 0.485 -24.711 -13.129 123 HA MET 18 HA MET 18 -0.112 -24.655 -15.899 124 HB2 MET 18 HB2 MET 18 0.382 -22.277 -14.106 125 HB3 MET 18 HB3 MET 18 -0.557 -22.311 -15.593 126 HG2 MET 18 HG2 MET 18 -1.554 -24.234 -13.692 127 HG3 MET 18 HG3 MET 18 -1.497 -22.616 -12.997 128 HE1 MET 18 HE1 MET 18 -2.035 -24.320 -16.282 129 HE2 MET 18 HE2 MET 18 -3.645 -23.848 -16.827 130 HE3 MET 18 HE3 MET 18 -2.280 -22.757 -17.062 131 H LEU 19 H LEU 19 2.432 -22.939 -14.073 132 HA LEU 19 HA LEU 19 3.829 -21.951 -16.261 133 HB2 LEU 19 HB2 LEU 19 5.099 -22.842 -13.684 134 HB3 LEU 19 HB3 LEU 19 5.662 -21.585 -14.784 135 HG LEU 19 HG LEU 19 3.182 -21.448 -13.069 136 HD11 LEU 19 HD11 LEU 19 4.634 -20.920 -11.462 137 HD12 LEU 19 HD12 LEU 19 4.873 -19.411 -12.342 138 HD13 LEU 19 HD13 LEU 19 5.973 -20.766 -12.600 139 HD21 LEU 19 HD21 LEU 19 4.454 -19.301 -14.760 140 HD22 LEU 19 HD22 LEU 19 2.958 -19.189 -13.831 141 HD23 LEU 19 HD23 LEU 19 3.041 -20.241 -15.244 142 H SER 20 H SER 20 3.876 -25.123 -14.803 143 HA SER 20 HA SER 20 6.212 -25.988 -16.263 144 HB2 SER 20 HB2 SER 20 5.656 -26.894 -14.014 145 HB3 SER 20 HB3 SER 20 4.213 -27.640 -14.700 146 HG SER 20 HG SER 20 6.696 -28.585 -14.664 147 H MET 21 H MET 21 2.768 -26.009 -16.685 148 HA MET 21 HA MET 21 2.741 -28.031 -18.723 149 HB2 MET 21 HB2 MET 21 0.764 -26.235 -17.446 150 HB3 MET 21 HB3 MET 21 0.399 -26.740 -19.090 151 HG2 MET 21 HG2 MET 21 0.695 -29.099 -18.361 152 HG3 MET 21 HG3 MET 21 0.869 -28.513 -16.708 153 HE1 MET 21 HE1 MET 21 -2.627 -27.033 -15.922 154 HE2 MET 21 HE2 MET 21 -0.994 -27.356 -15.339 155 HE3 MET 21 HE3 MET 21 -1.262 -26.126 -16.575 156 H GLY 22 H GLY 22 3.144 -24.578 -18.606 157 HA2 GLY 22 HA2 GLY 22 4.429 -23.857 -20.696 158 HA3 GLY 22 HA3 GLY 22 3.016 -24.458 -21.550 159 H PHE 23 H PHE 23 3.125 -22.630 -18.521 160 HA PHE 23 HA PHE 23 1.861 -20.366 -19.909 161 HB2 PHE 23 HB2 PHE 23 0.971 -21.632 -17.311 162 HB3 PHE 23 HB3 PHE 23 0.397 -20.071 -17.889 163 HD1 PHE 23 HD1 PHE 23 -0.999 -19.936 -19.909 164 HD2 PHE 23 HD2 PHE 23 0.167 -23.671 -18.234 165 HE1 PHE 23 HE1 PHE 23 -2.756 -21.064 -21.210 166 HE2 PHE 23 HE2 PHE 23 -1.588 -24.805 -19.533 167 HZ PHE 23 HZ PHE 23 -3.052 -23.502 -21.024 168 H SER 24 H SER 24 1.659 -18.494 -18.118 169 HA SER 24 HA SER 24 4.064 -18.360 -16.479 170 HB2 SER 24 HB2 SER 24 3.540 -16.089 -18.374 171 HB3 SER 24 HB3 SER 24 5.028 -16.504 -17.524 172 HG SER 24 HG SER 24 4.116 -17.350 -19.948 173 H ASP 25 H ASP 25 4.041 -15.734 -15.783 174 HA ASP 25 HA ASP 25 1.312 -15.210 -14.820 175 HB2 ASP 25 HB2 ASP 25 2.457 -14.415 -12.655 176 HB3 ASP 25 HB3 ASP 25 2.295 -16.151 -12.906 177 H GLU 26 H GLU 26 2.808 -14.039 -17.014 178 HA GLU 26 HA GLU 26 4.042 -11.631 -16.470 179 HB2 GLU 26 HB2 GLU 26 2.211 -12.320 -18.774 180 HB3 GLU 26 HB3 GLU 26 3.260 -10.911 -18.721 181 HG2 GLU 26 HG2 GLU 26 4.787 -13.261 -18.154 182 HG3 GLU 26 HG3 GLU 26 3.869 -13.490 -19.642 183 H GLY 27 H GLY 27 3.374 -9.945 -15.328 184 HA2 GLY 27 HA2 GLY 27 2.025 -8.123 -14.796 185 HA3 GLY 27 HA3 GLY 27 0.754 -8.804 -15.801 186 H GLY 28 H GLY 28 0.184 -11.183 -14.754 187 HA2 GLY 28 HA2 GLY 28 0.044 -12.024 -12.320 188 HA3 GLY 28 HA3 GLY 28 -0.745 -10.476 -12.052 189 H TRP 29 H TRP 29 -1.015 -12.917 -14.633 190 HA TRP 29 HA TRP 29 -3.926 -12.768 -14.366 191 HB2 TRP 29 HB2 TRP 29 -4.069 -13.660 -16.559 192 HB3 TRP 29 HB3 TRP 29 -2.748 -12.495 -16.606 193 HD1 TRP 29 HD1 TRP 29 -0.251 -13.480 -16.836 194 HE1 TRP 29 HE1 TRP 29 0.611 -15.734 -17.730 195 HE3 TRP 29 HE3 TRP 29 -4.621 -16.130 -16.706 196 HZ2 TRP 29 HZ2 TRP 29 -0.424 -18.296 -18.304 197 HZ3 TRP 29 HZ3 TRP 29 -4.599 -18.476 -17.445 198 HH2 TRP 29 HH2 TRP 29 -2.544 -19.535 -18.228 199 H LEU 30 H LEU 30 -1.278 -14.811 -13.642 200 HA LEU 30 HA LEU 30 -3.043 -17.131 -13.288 201 HB2 LEU 30 HB2 LEU 30 -0.837 -17.246 -14.589 202 HB3 LEU 30 HB3 LEU 30 -0.054 -17.142 -13.013 203 HG LEU 30 HG LEU 30 -1.227 -19.218 -12.341 204 HD11 LEU 30 HD11 LEU 30 -1.877 -19.947 -15.104 205 HD12 LEU 30 HD12 LEU 30 -2.913 -18.703 -14.406 206 HD13 LEU 30 HD13 LEU 30 -2.751 -20.266 -13.606 207 HD21 LEU 30 HD21 LEU 30 0.578 -20.316 -13.030 208 HD22 LEU 30 HD22 LEU 30 0.987 -18.909 -14.011 209 HD23 LEU 30 HD23 LEU 30 0.057 -20.232 -14.714 210 H THR 31 H THR 31 -2.103 -14.566 -11.562 211 HA THR 31 HA THR 31 -1.489 -15.967 -9.080 212 HB THR 31 HB THR 31 -0.196 -13.960 -9.537 213 HG1 THR 31 HG1 THR 31 -0.371 -14.018 -7.402 214 HG21 THR 31 HG21 THR 31 -1.057 -12.066 -10.354 215 HG22 THR 31 HG22 THR 31 -2.300 -12.007 -9.105 216 HG23 THR 31 HG23 THR 31 -2.566 -12.953 -10.570 217 H ARG 32 H ARG 32 -4.159 -14.537 -10.708 218 HA ARG 32 HA ARG 32 -5.779 -14.758 -8.255 219 HB2 ARG 32 HB2 ARG 32 -6.287 -12.966 -10.637 220 HB3 ARG 32 HB3 ARG 32 -7.262 -13.053 -9.176 221 HG2 ARG 32 HG2 ARG 32 -4.419 -12.468 -8.738 222 HG3 ARG 32 HG3 ARG 32 -5.319 -11.230 -9.616 223 HD2 ARG 32 HD2 ARG 32 -7.043 -11.852 -7.595 224 HD3 ARG 32 HD3 ARG 32 -5.478 -12.048 -6.806 225 HE ARG 32 HE ARG 32 -5.234 -9.779 -6.843 226 HH11 ARG 32 HH11 ARG 32 -7.654 -10.681 -9.177 227 HH12 ARG 32 HH12 ARG 32 -8.091 -9.046 -9.549 228 HH21 ARG 32 HH21 ARG 32 -5.801 -7.623 -7.324 229 HH22 ARG 32 HH22 ARG 32 -7.036 -7.308 -8.495 230 H LEU 33 H LEU 33 -5.425 -15.605 -11.602 231 HA LEU 33 HA LEU 33 -7.954 -16.452 -12.298 232 HB2 LEU 33 HB2 LEU 33 -6.375 -16.521 -13.994 233 HB3 LEU 33 HB3 LEU 33 -5.214 -17.410 -13.011 234 HG LEU 33 HG LEU 33 -6.535 -19.442 -13.258 235 HD11 LEU 33 HD11 LEU 33 -8.753 -18.540 -13.393 236 HD12 LEU 33 HD12 LEU 33 -8.431 -19.461 -14.861 237 HD13 LEU 33 HD13 LEU 33 -8.369 -17.699 -14.895 238 HD21 LEU 33 HD21 LEU 33 -5.636 -17.950 -15.684 239 HD22 LEU 33 HD22 LEU 33 -6.396 -19.532 -15.860 240 HD23 LEU 33 HD23 LEU 33 -4.924 -19.363 -14.903 241 H LEU 34 H LEU 34 -5.419 -18.360 -10.679 242 HA LEU 34 HA LEU 34 -6.926 -20.707 -10.376 243 HB2 LEU 34 HB2 LEU 34 -4.584 -19.579 -8.874 244 HB3 LEU 34 HB3 LEU 34 -5.305 -21.130 -8.448 245 HG LEU 34 HG LEU 34 -3.388 -21.570 -9.783 246 HD11 LEU 34 HD11 LEU 34 -5.592 -21.825 -11.785 247 HD12 LEU 34 HD12 LEU 34 -5.649 -22.732 -10.275 248 HD13 LEU 34 HD13 LEU 34 -4.301 -22.959 -11.388 249 HD21 LEU 34 HD21 LEU 34 -4.373 -20.090 -12.153 250 HD22 LEU 34 HD22 LEU 34 -2.723 -20.418 -11.622 251 HD23 LEU 34 HD23 LEU 34 -3.662 -19.143 -10.845 252 H GLN 35 H GLN 35 -6.424 -17.974 -8.163 253 HA GLN 35 HA GLN 35 -7.819 -18.909 -5.966 254 HB2 GLN 35 HB2 GLN 35 -7.461 -16.123 -7.054 255 HB3 GLN 35 HB3 GLN 35 -8.313 -16.432 -5.547 256 HG2 GLN 35 HG2 GLN 35 -6.313 -17.487 -4.628 257 HG3 GLN 35 HG3 GLN 35 -5.459 -17.179 -6.139 258 HE21 GLN 35 HE21 GLN 35 -4.734 -16.275 -3.523 259 HE22 GLN 35 HE22 GLN 35 -4.745 -14.547 -3.560 260 H THR 36 H THR 36 -9.032 -17.491 -8.939 261 HA THR 36 HA THR 36 -11.739 -17.266 -8.013 262 HB THR 36 HB THR 36 -11.870 -17.291 -10.781 263 HG1 THR 36 HG1 THR 36 -10.050 -15.902 -11.325 264 HG21 THR 36 HG21 THR 36 -11.641 -15.171 -8.691 265 HG22 THR 36 HG22 THR 36 -13.009 -15.587 -9.723 266 HG23 THR 36 HG23 THR 36 -11.636 -14.705 -10.391 267 H LYS 37 H LYS 37 -9.804 -19.758 -9.397 268 HA LYS 37 HA LYS 37 -12.179 -21.372 -10.010 269 HB2 LYS 37 HB2 LYS 37 -9.281 -21.872 -10.713 270 HB3 LYS 37 HB3 LYS 37 -10.647 -22.855 -11.222 271 HG2 LYS 37 HG2 LYS 37 -10.077 -20.005 -12.004 272 HG3 LYS 37 HG3 LYS 37 -9.979 -21.436 -13.033 273 HD2 LYS 37 HD2 LYS 37 -12.484 -21.738 -12.370 274 HD3 LYS 37 HD3 LYS 37 -12.390 -20.022 -11.970 275 HE2 LYS 37 HE2 LYS 37 -11.843 -19.435 -14.190 276 HE3 LYS 37 HE3 LYS 37 -11.494 -21.107 -14.627 277 HZ1 LYS 37 HZ1 LYS 37 -14.106 -19.803 -14.242 278 HZ2 LYS 37 HZ2 LYS 37 -13.961 -21.477 -14.041 279 HZ3 LYS 37 HZ3 LYS 37 -13.572 -20.766 -15.526 280 H ASN 38 H ASN 38 -10.688 -20.746 -7.345 281 HA ASN 38 HA ASN 38 -10.322 -21.819 -5.374 282 HB2 ASN 38 HB2 ASN 38 -12.551 -22.941 -6.310 283 HB3 ASN 38 HB3 ASN 38 -11.513 -24.363 -6.370 284 HD21 ASN 38 HD21 ASN 38 -11.847 -25.589 -4.674 285 HD22 ASN 38 HD22 ASN 38 -12.077 -25.047 -3.049 286 H TYR 39 H TYR 39 -8.227 -21.842 -7.196 287 HA TYR 39 HA TYR 39 -6.216 -22.817 -7.617 288 HB2 TYR 39 HB2 TYR 39 -6.792 -24.696 -5.333 289 HB3 TYR 39 HB3 TYR 39 -5.232 -24.092 -5.882 290 HD1 TYR 39 HD1 TYR 39 -5.380 -21.288 -5.967 291 HD2 TYR 39 HD2 TYR 39 -7.330 -23.909 -3.240 292 HE1 TYR 39 HE1 TYR 39 -5.498 -19.471 -4.314 293 HE2 TYR 39 HE2 TYR 39 -7.454 -22.098 -1.580 294 HH TYR 39 HH TYR 39 -5.754 -19.127 -1.972 295 H ASP 40 H ASP 40 -7.934 -23.668 -9.389 296 HA ASP 40 HA ASP 40 -7.745 -26.604 -9.453 297 HB2 ASP 40 HB2 ASP 40 -9.777 -24.683 -10.356 298 HB3 ASP 40 HB3 ASP 40 -9.402 -25.939 -11.533 299 H ILE 41 H ILE 41 -7.000 -27.650 -11.324 300 HA ILE 41 HA ILE 41 -5.201 -25.998 -12.949 301 HB ILE 41 HB ILE 41 -5.197 -28.998 -12.954 302 HG12 ILE 41 HG12 ILE 41 -5.110 -28.395 -10.603 303 HG13 ILE 41 HG13 ILE 41 -3.513 -28.917 -11.131 304 HG21 ILE 41 HG21 ILE 41 -3.390 -28.742 -14.218 305 HG22 ILE 41 HG22 ILE 41 -3.708 -27.008 -14.241 306 HG23 ILE 41 HG23 ILE 41 -2.640 -27.692 -13.016 307 HD11 ILE 41 HD11 ILE 41 -2.805 -26.594 -11.297 308 HD12 ILE 41 HD12 ILE 41 -4.407 -26.065 -10.784 309 HD13 ILE 41 HD13 ILE 41 -3.381 -26.978 -9.676 310 H GLY 42 H GLY 42 -7.940 -28.161 -13.155 311 HA2 GLY 42 HA2 GLY 42 -7.835 -28.344 -16.040 312 HA3 GLY 42 HA3 GLY 42 -9.095 -28.986 -14.996 313 H ALA 43 H ALA 43 -9.170 -26.176 -13.741 314 HA ALA 43 HA ALA 43 -11.175 -25.154 -15.589 315 HB1 ALA 43 HB1 ALA 43 -12.102 -24.027 -13.817 316 HB2 ALA 43 HB2 ALA 43 -11.368 -25.400 -12.988 317 HB3 ALA 43 HB3 ALA 43 -10.557 -23.834 -12.989 318 H ALA 44 H ALA 44 -8.058 -24.266 -14.238 319 HA ALA 44 HA ALA 44 -8.085 -21.615 -15.362 320 HB1 ALA 44 HB1 ALA 44 -5.626 -21.689 -14.672 321 HB2 ALA 44 HB2 ALA 44 -6.834 -21.800 -13.391 322 HB3 ALA 44 HB3 ALA 44 -6.004 -23.253 -13.949 323 H LEU 45 H LEU 45 -7.386 -24.735 -16.516 324 HA LEU 45 HA LEU 45 -5.412 -24.023 -18.458 325 HB2 LEU 45 HB2 LEU 45 -7.042 -26.423 -17.832 326 HB3 LEU 45 HB3 LEU 45 -6.361 -26.298 -19.452 327 HG LEU 45 HG LEU 45 -4.699 -26.124 -16.945 328 HD11 LEU 45 HD11 LEU 45 -4.601 -28.569 -18.576 329 HD12 LEU 45 HD12 LEU 45 -6.067 -28.349 -17.622 330 HD13 LEU 45 HD13 LEU 45 -4.492 -28.359 -16.828 331 HD21 LEU 45 HD21 LEU 45 -3.561 -27.080 -19.473 332 HD22 LEU 45 HD22 LEU 45 -2.914 -25.941 -18.292 333 HD23 LEU 45 HD23 LEU 45 -4.086 -25.395 -19.492 334 H ASP 46 H ASP 46 -8.832 -23.810 -18.288 335 HA ASP 46 HA ASP 46 -8.988 -23.311 -21.186 336 HB2 ASP 46 HB2 ASP 46 -10.583 -24.927 -19.555 337 HB3 ASP 46 HB3 ASP 46 -11.559 -23.492 -19.857 338 H THR 47 H THR 47 -8.119 -21.474 -18.985 339 HA THR 47 HA THR 47 -10.181 -19.392 -19.289 340 HB THR 47 HB THR 47 -7.965 -19.286 -17.257 341 HG1 THR 47 HG1 THR 47 -10.559 -20.379 -16.815 342 HG21 THR 47 HG21 THR 47 -8.980 -17.224 -17.272 343 HG22 THR 47 HG22 THR 47 -9.982 -18.058 -16.085 344 HG23 THR 47 HG23 THR 47 -10.547 -17.877 -17.746 345 H ILE 48 H ILE 48 -7.744 -20.259 -20.996 346 HA ILE 48 HA ILE 48 -6.570 -17.565 -21.231 347 HB ILE 48 HB ILE 48 -5.113 -19.905 -22.342 348 HG12 ILE 48 HG12 ILE 48 -3.969 -19.871 -19.932 349 HG13 ILE 48 HG13 ILE 48 -5.595 -19.407 -19.443 350 HG21 ILE 48 HG21 ILE 48 -3.188 -18.502 -21.435 351 HG22 ILE 48 HG22 ILE 48 -4.119 -17.825 -22.771 352 HG23 ILE 48 HG23 ILE 48 -4.397 -17.256 -21.125 353 HD11 ILE 48 HD11 ILE 48 -5.722 -21.634 -21.234 354 HD12 ILE 48 HD12 ILE 48 -4.607 -21.982 -19.913 355 HD13 ILE 48 HD13 ILE 48 -6.269 -21.507 -19.563 356 H GLN 49 H GLN 49 -7.955 -20.314 -22.880 357 HA GLN 49 HA GLN 49 -7.400 -19.763 -25.521 358 HB2 GLN 49 HB2 GLN 49 -10.035 -20.753 -24.417 359 HB3 GLN 49 HB3 GLN 49 -9.472 -20.940 -26.072 360 HG2 GLN 49 HG2 GLN 49 -8.141 -22.122 -23.645 361 HG3 GLN 49 HG3 GLN 49 -9.220 -22.985 -24.741 362 HE21 GLN 49 HE21 GLN 49 -8.549 -23.039 -27.031 363 HE22 GLN 49 HE22 GLN 49 -6.863 -23.180 -27.380 364 H TYR 50 H TYR 50 -10.044 -18.453 -23.542 365 HA TYR 50 HA TYR 50 -10.024 -15.966 -24.914 366 HB2 TYR 50 HB2 TYR 50 -12.139 -16.062 -26.050 367 HB3 TYR 50 HB3 TYR 50 -11.168 -17.421 -26.604 368 HD1 TYR 50 HD1 TYR 50 -14.077 -16.426 -24.594 369 HD2 TYR 50 HD2 TYR 50 -11.808 -19.692 -26.107 370 HE1 TYR 50 HE1 TYR 50 -15.900 -17.964 -23.993 371 HE2 TYR 50 HE2 TYR 50 -13.625 -21.238 -25.511 372 HH TYR 50 HH TYR 50 -16.444 -20.153 -23.709 373 H SER 51 H SER 51 -10.937 -14.420 -23.679 374 HA SER 51 HA SER 51 -13.142 -14.735 -21.980 375 HB2 SER 51 HB2 SER 51 -11.785 -16.161 -20.600 376 HB3 SER 51 HB3 SER 51 -10.446 -15.015 -20.637 377 HG SER 51 HG SER 51 -12.113 -15.119 -18.765 378 H LYS 52 H LYS 52 -9.958 -13.135 -21.782 379 HA LYS 52 HA LYS 52 -11.209 -10.606 -21.143 380 HB2 LYS 52 HB2 LYS 52 -9.070 -9.813 -20.660 381 HB3 LYS 52 HB3 LYS 52 -8.968 -11.516 -20.231 382 HG2 LYS 52 HG2 LYS 52 -7.050 -11.352 -21.415 383 HG3 LYS 52 HG3 LYS 52 -8.148 -11.696 -22.754 384 HD2 LYS 52 HD2 LYS 52 -7.287 -9.840 -23.676 385 HD3 LYS 52 HD3 LYS 52 -8.339 -8.978 -22.550 386 HE2 LYS 52 HE2 LYS 52 -6.375 -9.174 -20.899 387 HE3 LYS 52 HE3 LYS 52 -5.405 -9.565 -22.318 388 HZ1 LYS 52 HZ1 LYS 52 -5.507 -7.146 -21.607 389 HZ2 LYS 52 HZ2 LYS 52 -7.087 -7.136 -22.212 390 HZ3 LYS 52 HZ3 LYS 52 -5.789 -7.472 -23.243 391 H HIS 53 H HIS 53 -9.950 -12.224 -23.932 392 HA HIS 53 HA HIS 53 -9.325 -10.094 -25.601 393 HB2 HIS 53 HB2 HIS 53 -10.214 -12.901 -26.021 394 HB3 HIS 53 HB3 HIS 53 -10.310 -11.812 -27.401 395 HD1 HIS 53 HD1 HIS 53 -8.202 -14.282 -26.457 396 HD2 HIS 53 HD2 HIS 53 -7.505 -10.248 -27.164 397 HE1 HIS 53 HE1 HIS 53 -5.748 -14.105 -26.974
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