NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15759 | 1yws | 6555 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -13.774 8.603 -10.135 2 HA MET 1 HA MET 1 -11.822 7.193 -11.744 3 1HB MET 1 1HB MET 1 -14.810 7.504 -12.026 4 2HB MET 1 2HB MET 1 -13.815 6.595 -13.155 5 1HG MET 1 1HG MET 1 -13.118 5.112 -11.336 6 2HG MET 1 2HG MET 1 -14.135 6.017 -10.220 7 1HE MET 1 1HE MET 1 -15.944 2.536 -10.685 8 2HE MET 1 2HE MET 1 -15.151 3.617 -9.539 9 3HE MET 1 3HE MET 1 -14.203 2.802 -10.784 10 H SER 2 H SER 2 -10.583 9.001 -12.315 11 HA SER 2 HA SER 2 -11.430 10.131 -14.837 12 1HB SER 2 1HB SER 2 -10.562 11.912 -12.540 13 2HB SER 2 2HB SER 2 -10.861 12.443 -14.197 14 HG SER 2 HG SER 2 -13.000 11.114 -13.458 15 H THR 3 H THR 3 -9.398 11.629 -15.571 16 HA THR 3 HA THR 3 -7.208 9.761 -15.550 17 HB THR 3 HB THR 3 -6.174 11.569 -17.082 18 HG1 THR 3 HG1 THR 3 -7.543 13.116 -17.827 19 1HG2 THR 3 1HG2 THR 3 -7.483 10.732 -18.980 20 2HG2 THR 3 2HG2 THR 3 -8.699 10.114 -17.861 21 3HG2 THR 3 3HG2 THR 3 -7.069 9.440 -17.852 22 H TYR 4 H TYR 4 -6.096 9.785 -13.684 23 HA TYR 4 HA TYR 4 -5.151 12.371 -12.678 24 1HB TYR 4 1HB TYR 4 -5.509 9.700 -11.364 25 2HB TYR 4 2HB TYR 4 -4.417 10.898 -10.670 26 HD1 TYR 4 HD1 TYR 4 -5.285 13.059 -9.877 27 HD2 TYR 4 HD2 TYR 4 -7.888 9.991 -11.257 28 HE1 TYR 4 HE1 TYR 4 -7.182 14.213 -8.829 29 HE2 TYR 4 HE2 TYR 4 -9.795 11.134 -10.209 30 HH TYR 4 HH TYR 4 -9.723 14.293 -9.248 31 H ASP 5 H ASP 5 -4.086 9.570 -14.318 32 HA ASP 5 HA ASP 5 -1.298 10.409 -13.921 33 1HB ASP 5 1HB ASP 5 -2.268 7.854 -14.015 34 2HB ASP 5 2HB ASP 5 -1.807 8.105 -15.691 35 H GLU 6 H GLU 6 -0.123 11.218 -15.603 36 HA GLU 6 HA GLU 6 -1.501 11.577 -18.162 37 1HB GLU 6 1HB GLU 6 -1.956 13.550 -16.712 38 2HB GLU 6 2HB GLU 6 -0.226 13.827 -16.589 39 1HG GLU 6 1HG GLU 6 -0.099 14.235 -18.975 40 2HG GLU 6 2HG GLU 6 -1.824 13.904 -19.136 41 H ILE 7 H ILE 7 -0.171 10.849 -19.698 42 HA ILE 7 HA ILE 7 2.733 11.008 -19.166 43 HB ILE 7 HB ILE 7 1.371 9.048 -21.022 44 1HG1 ILE 7 1HG1 ILE 7 2.292 7.450 -19.102 45 2HG1 ILE 7 2HG1 ILE 7 2.004 8.882 -18.116 46 1HG2 ILE 7 1HG2 ILE 7 3.685 9.553 -21.589 47 2HG2 ILE 7 2HG2 ILE 7 3.517 7.898 -21.003 48 3HG2 ILE 7 3HG2 ILE 7 4.182 9.142 -19.946 49 1HD1 ILE 7 1HD1 ILE 7 -0.014 7.482 -19.840 50 2HD1 ILE 7 2HD1 ILE 7 -0.313 8.924 -18.868 51 3HD1 ILE 7 3HD1 ILE 7 0.098 7.398 -18.081 52 H GLU 8 H GLU 8 4.036 11.922 -20.636 53 HA GLU 8 HA GLU 8 2.965 13.557 -22.671 54 1HB GLU 8 1HB GLU 8 5.787 12.624 -22.139 55 2HB GLU 8 2HB GLU 8 5.357 13.857 -23.320 56 1HG GLU 8 1HG GLU 8 4.594 15.331 -21.655 57 2HG GLU 8 2HG GLU 8 4.614 14.070 -20.424 58 H ILE 9 H ILE 9 2.943 13.309 -24.890 59 HA ILE 9 HA ILE 9 2.182 10.789 -25.794 60 HB ILE 9 HB ILE 9 1.447 12.901 -26.811 61 1HG1 ILE 9 1HG1 ILE 9 2.789 11.149 -28.869 62 2HG1 ILE 9 2HG1 ILE 9 1.320 10.696 -28.017 63 1HG2 ILE 9 1HG2 ILE 9 2.888 14.021 -28.473 64 2HG2 ILE 9 2HG2 ILE 9 4.233 13.006 -27.950 65 3HG2 ILE 9 3HG2 ILE 9 3.497 14.148 -26.824 66 1HD1 ILE 9 1HD1 ILE 9 0.837 11.583 -30.229 67 2HD1 ILE 9 2HD1 ILE 9 1.640 13.096 -29.806 68 3HD1 ILE 9 3HD1 ILE 9 0.162 12.616 -28.968 69 H GLU 10 H GLU 10 5.324 12.260 -25.753 70 HA GLU 10 HA GLU 10 6.549 10.607 -27.698 71 1HB GLU 10 1HB GLU 10 8.677 11.387 -26.751 72 2HB GLU 10 2HB GLU 10 7.560 12.711 -27.048 73 1HG GLU 10 1HG GLU 10 7.053 12.894 -24.720 74 2HG GLU 10 2HG GLU 10 7.965 11.429 -24.360 75 H ASP 11 H ASP 11 5.841 10.123 -24.309 76 HA ASP 11 HA ASP 11 7.693 7.909 -24.066 77 1HB ASP 11 1HB ASP 11 7.156 9.399 -22.131 78 2HB ASP 11 2HB ASP 11 5.518 8.753 -22.135 79 H MET 12 H MET 12 4.200 8.380 -24.328 80 HA MET 12 HA MET 12 3.313 5.766 -24.412 81 1HB MET 12 1HB MET 12 2.444 8.078 -26.162 82 2HB MET 12 2HB MET 12 1.539 6.586 -25.934 83 1HG MET 12 1HG MET 12 2.266 8.423 -23.671 84 2HG MET 12 2HG MET 12 0.776 8.585 -24.599 85 1HE MET 12 1HE MET 12 0.064 5.515 -25.169 86 2HE MET 12 2HE MET 12 -1.102 6.750 -24.692 87 3HE MET 12 3HE MET 12 -1.038 5.216 -23.823 88 H THR 13 H THR 13 3.683 4.080 -25.723 89 HA THR 13 HA THR 13 5.488 4.363 -27.952 90 HB THR 13 HB THR 13 3.993 1.902 -27.007 91 HG1 THR 13 HG1 THR 13 6.462 3.078 -26.234 92 1HG2 THR 13 1HG2 THR 13 5.781 0.670 -28.142 93 2HG2 THR 13 2HG2 THR 13 6.483 2.192 -28.693 94 3HG2 THR 13 3HG2 THR 13 4.895 1.692 -29.274 95 H PHE 14 H PHE 14 4.884 4.671 -30.034 96 HA PHE 14 HA PHE 14 2.014 4.555 -30.572 97 1HB PHE 14 1HB PHE 14 2.567 5.821 -32.661 98 2HB PHE 14 2HB PHE 14 2.927 6.664 -31.163 99 HD1 PHE 14 HD1 PHE 14 5.146 7.296 -30.607 100 HD2 PHE 14 HD2 PHE 14 4.386 4.934 -34.067 101 HE1 PHE 14 HE1 PHE 14 7.425 7.746 -31.415 102 HE2 PHE 14 HE2 PHE 14 6.666 5.375 -34.873 103 HZ PHE 14 HZ PHE 14 8.191 6.786 -33.549 104 H GLU 15 H GLU 15 1.075 3.181 -31.896 105 HA GLU 15 HA GLU 15 2.755 1.363 -33.466 106 1HB GLU 15 1HB GLU 15 0.033 1.064 -32.243 107 2HB GLU 15 2HB GLU 15 0.513 0.045 -33.595 108 1HG GLU 15 1HG GLU 15 0.909 -1.164 -31.592 109 2HG GLU 15 2HG GLU 15 2.475 -0.688 -32.243 110 HA PRO 16 HA PRO 16 1.274 4.255 -36.614 111 1HB PRO 16 1HB PRO 16 2.965 3.253 -38.546 112 2HB PRO 16 2HB PRO 16 3.390 4.527 -37.400 113 1HG PRO 16 1HG PRO 16 3.999 1.606 -37.299 114 2HG PRO 16 2HG PRO 16 5.032 2.984 -36.873 115 1HD PRO 16 1HD PRO 16 3.813 1.509 -34.995 116 2HD PRO 16 2HD PRO 16 4.020 3.264 -34.810 117 H GLU 17 H GLU 17 1.569 0.755 -36.802 118 HA GLU 17 HA GLU 17 0.093 0.499 -39.242 119 1HB GLU 17 1HB GLU 17 0.392 -1.654 -37.155 120 2HB GLU 17 2HB GLU 17 0.183 -1.844 -38.888 121 1HG GLU 17 1HG GLU 17 2.392 -2.251 -38.811 122 2HG GLU 17 2HG GLU 17 2.487 -0.492 -38.883 123 H ASN 18 H ASN 18 -0.700 0.771 -35.887 124 HA ASN 18 HA ASN 18 -3.466 -0.071 -36.342 125 1HB ASN 18 1HB ASN 18 -1.970 0.603 -33.805 126 2HB ASN 18 2HB ASN 18 -3.675 0.178 -33.855 127 1HD2 ASN 18 1HD2 ASN 18 -3.356 -1.825 -35.925 128 2HD2 ASN 18 2HD2 ASN 18 -2.576 -3.173 -35.178 129 H GLN 19 H GLN 19 -1.617 2.695 -36.388 130 HA GLN 19 HA GLN 19 -2.036 4.923 -36.460 131 1HB GLN 19 1HB GLN 19 -4.870 3.950 -36.805 132 2HB GLN 19 2HB GLN 19 -4.449 5.653 -36.804 133 1HG GLN 19 1HG GLN 19 -4.596 5.096 -39.051 134 2HG GLN 19 2HG GLN 19 -2.865 5.079 -38.724 135 1HE2 GLN 19 1HE2 GLN 19 -1.739 3.197 -38.951 136 2HE2 GLN 19 2HE2 GLN 19 -2.447 1.723 -39.521 137 H MET 20 H MET 20 -1.756 3.708 -33.900 138 HA MET 20 HA MET 20 -3.158 5.686 -32.306 139 1HB MET 20 1HB MET 20 -4.164 4.113 -30.758 140 2HB MET 20 2HB MET 20 -4.771 3.822 -32.383 141 1HG MET 20 1HG MET 20 -3.304 1.910 -32.616 142 2HG MET 20 2HG MET 20 -2.599 2.229 -31.032 143 1HE MET 20 1HE MET 20 -3.074 -0.274 -30.297 144 2HE MET 20 2HE MET 20 -3.772 -0.608 -31.882 145 3HE MET 20 3HE MET 20 -4.655 -1.049 -30.420 146 H PHE 21 H PHE 21 -2.514 5.527 -29.973 147 HA PHE 21 HA PHE 21 0.279 4.622 -29.728 148 1HB PHE 21 1HB PHE 21 -1.241 6.839 -28.345 149 2HB PHE 21 2HB PHE 21 0.301 6.244 -27.749 150 HD1 PHE 21 HD1 PHE 21 -1.261 7.629 -30.841 151 HD2 PHE 21 HD2 PHE 21 2.229 7.260 -28.436 152 HE1 PHE 21 HE1 PHE 21 -0.087 9.218 -32.306 153 HE2 PHE 21 HE2 PHE 21 3.410 8.844 -29.902 154 HZ PHE 21 HZ PHE 21 2.252 9.828 -31.839 155 H THR 22 H THR 22 0.814 3.253 -28.057 156 HA THR 22 HA THR 22 -1.337 2.602 -26.157 157 HB THR 22 HB THR 22 -0.590 0.257 -26.136 158 HG1 THR 22 HG1 THR 22 0.982 0.924 -28.421 159 1HG2 THR 22 1HG2 THR 22 -1.464 -0.391 -28.357 160 2HG2 THR 22 2HG2 THR 22 -1.338 1.292 -28.875 161 3HG2 THR 22 3HG2 THR 22 -2.452 0.849 -27.582 162 H TYR 23 H TYR 23 -0.527 1.605 -24.138 163 HA TYR 23 HA TYR 23 2.263 2.264 -23.563 164 1HB TYR 23 1HB TYR 23 0.520 4.018 -22.706 165 2HB TYR 23 2HB TYR 23 0.158 2.798 -21.488 166 HD1 TYR 23 HD1 TYR 23 1.288 2.990 -19.469 167 HD2 TYR 23 HD2 TYR 23 3.163 4.414 -23.014 168 HE1 TYR 23 HE1 TYR 23 3.206 3.777 -18.140 169 HE2 TYR 23 HE2 TYR 23 5.078 5.202 -21.696 170 HH TYR 23 HH TYR 23 5.673 5.811 -19.507 171 HA PRO 24 HA PRO 24 2.318 -1.973 -22.318 172 1HB PRO 24 1HB PRO 24 4.474 -1.001 -20.514 173 2HB PRO 24 2HB PRO 24 4.490 -2.325 -21.681 174 1HG PRO 24 1HG PRO 24 5.708 0.011 -22.186 175 2HG PRO 24 2HG PRO 24 4.929 -0.940 -23.462 176 1HD PRO 24 1HD PRO 24 4.028 1.575 -22.164 177 2HD PRO 24 2HD PRO 24 3.731 0.975 -23.806 178 H CYS 25 H CYS 25 0.734 -2.657 -21.053 179 HA CYS 25 HA CYS 25 0.825 -1.947 -18.207 180 1HB CYS 25 1HB CYS 25 -1.084 -0.807 -19.180 181 2HB CYS 25 2HB CYS 25 -1.622 -2.290 -19.955 182 HA PRO 26 HA PRO 26 0.579 -6.401 -17.879 183 1HB PRO 26 1HB PRO 26 0.855 -6.320 -15.087 184 2HB PRO 26 2HB PRO 26 2.164 -6.487 -16.258 185 1HG PRO 26 1HG PRO 26 1.705 -4.296 -14.544 186 2HG PRO 26 2HG PRO 26 2.849 -4.360 -15.894 187 1HD PRO 26 1HD PRO 26 0.119 -3.176 -15.772 188 2HD PRO 26 2HD PRO 26 1.534 -2.676 -16.727 189 H CYS 27 H CYS 27 -1.322 -7.380 -17.989 190 HA CYS 27 HA CYS 27 -3.146 -7.733 -15.940 191 1HB CYS 27 1HB CYS 27 -5.029 -6.333 -16.566 192 2HB CYS 27 2HB CYS 27 -3.639 -5.298 -16.267 193 H GLY 28 H GLY 28 -2.829 -7.150 -19.367 194 1HA GLY 28 1HA GLY 28 -3.037 -9.655 -20.373 195 2HA GLY 28 2HA GLY 28 -4.717 -9.175 -20.142 196 H ASP 29 H ASP 29 -3.896 -6.319 -20.576 197 HA ASP 29 HA ASP 29 -3.176 -6.341 -23.404 198 1HB ASP 29 1HB ASP 29 -5.800 -6.297 -22.863 199 2HB ASP 29 2HB ASP 29 -5.459 -4.577 -22.688 200 H ARG 30 H ARG 30 -3.162 -3.897 -24.134 201 HA ARG 30 HA ARG 30 -1.626 -2.429 -22.079 202 1HB ARG 30 1HB ARG 30 -0.641 -1.332 -24.249 203 2HB ARG 30 2HB ARG 30 -0.055 -2.905 -23.715 204 1HG ARG 30 1HG ARG 30 -1.302 -4.043 -25.358 205 2HG ARG 30 2HG ARG 30 -2.276 -2.618 -25.713 206 1HD ARG 30 1HD ARG 30 -0.459 -1.533 -26.777 207 2HD ARG 30 2HD ARG 30 0.690 -2.737 -26.193 208 HE ARG 30 HE ARG 30 0.250 -3.888 -28.100 209 1HH1 ARG 30 1HH1 ARG 30 -2.720 -2.216 -27.220 210 2HH1 ARG 30 2HH1 ARG 30 -3.607 -2.808 -28.584 211 1HH2 ARG 30 1HH2 ARG 30 -0.909 -4.618 -29.919 212 2HH2 ARG 30 2HH2 ARG 30 -2.583 -4.184 -30.120 213 H PHE 31 H PHE 31 -1.854 -0.144 -22.008 214 HA PHE 31 HA PHE 31 -4.393 0.937 -22.358 215 1HB PHE 31 1HB PHE 31 -1.701 2.309 -22.241 216 2HB PHE 31 2HB PHE 31 -3.224 3.185 -22.259 217 HD1 PHE 31 HD1 PHE 31 -0.923 1.200 -20.282 218 HD2 PHE 31 HD2 PHE 31 -4.748 3.059 -20.351 219 HE1 PHE 31 HE1 PHE 31 -1.043 1.030 -17.832 220 HE2 PHE 31 HE2 PHE 31 -4.879 2.887 -17.900 221 HZ PHE 31 HZ PHE 31 -3.020 1.872 -16.637 222 H GLN 32 H GLN 32 -5.437 1.951 -24.017 223 HA GLN 32 HA GLN 32 -3.921 2.300 -26.517 224 1HB GLN 32 1HB GLN 32 -6.665 1.086 -26.182 225 2HB GLN 32 2HB GLN 32 -5.972 1.538 -27.735 226 1HG GLN 32 1HG GLN 32 -4.193 -0.055 -27.460 227 2HG GLN 32 2HG GLN 32 -4.747 -0.441 -25.833 228 1HE2 GLN 32 1HE2 GLN 32 -7.563 -0.412 -26.564 229 2HE2 GLN 32 2HE2 GLN 32 -7.841 -1.862 -27.459 230 H ILE 33 H ILE 33 -3.995 4.276 -27.257 231 HA ILE 33 HA ILE 33 -6.470 5.832 -26.907 232 HB ILE 33 HB ILE 33 -4.823 6.798 -25.419 233 1HG1 ILE 33 1HG1 ILE 33 -5.174 8.493 -27.898 234 2HG1 ILE 33 2HG1 ILE 33 -6.352 8.311 -26.602 235 1HG2 ILE 33 1HG2 ILE 33 -3.040 7.057 -27.832 236 2HG2 ILE 33 2HG2 ILE 33 -2.786 5.994 -26.447 237 3HG2 ILE 33 3HG2 ILE 33 -2.716 7.745 -26.241 238 1HD1 ILE 33 1HD1 ILE 33 -5.144 10.400 -26.403 239 2HD1 ILE 33 2HD1 ILE 33 -3.613 9.527 -26.343 240 3HD1 ILE 33 3HD1 ILE 33 -4.786 9.339 -25.041 241 H TYR 34 H TYR 34 -7.305 6.621 -28.738 242 HA TYR 34 HA TYR 34 -5.946 5.821 -31.193 243 1HB TYR 34 1HB TYR 34 -8.801 6.758 -30.867 244 2HB TYR 34 2HB TYR 34 -8.109 5.888 -32.233 245 HD1 TYR 34 HD1 TYR 34 -7.371 3.500 -31.906 246 HD2 TYR 34 HD2 TYR 34 -9.658 5.598 -28.995 247 HE1 TYR 34 HE1 TYR 34 -7.991 1.361 -30.861 248 HE2 TYR 34 HE2 TYR 34 -10.288 3.468 -27.944 249 HH TYR 34 HH TYR 34 -10.464 1.130 -28.486 250 H LEU 35 H LEU 35 -5.200 7.192 -32.658 251 HA LEU 35 HA LEU 35 -4.752 9.888 -32.068 252 1HB LEU 35 1HB LEU 35 -3.697 8.157 -33.818 253 2HB LEU 35 2HB LEU 35 -4.775 8.998 -34.912 254 HG LEU 35 HG LEU 35 -2.465 9.880 -34.950 255 1HD1 LEU 35 1HD1 LEU 35 -3.028 12.253 -34.728 256 2HD1 LEU 35 2HD1 LEU 35 -4.528 11.811 -33.911 257 3HD1 LEU 35 3HD1 LEU 35 -4.270 11.349 -35.595 258 1HD2 LEU 35 1HD2 LEU 35 -3.046 10.719 -32.115 259 2HD2 LEU 35 2HD2 LEU 35 -1.615 11.147 -33.053 260 3HD2 LEU 35 3HD2 LEU 35 -1.911 9.466 -32.610 261 H ASP 36 H ASP 36 -7.300 8.273 -33.826 262 HA ASP 36 HA ASP 36 -8.507 10.365 -35.181 263 1HB ASP 36 1HB ASP 36 -9.227 8.042 -35.412 264 2HB ASP 36 2HB ASP 36 -9.831 8.044 -33.758 265 H ASP 37 H ASP 37 -8.980 9.357 -31.815 266 HA ASP 37 HA ASP 37 -10.922 11.453 -31.369 267 1HB ASP 37 1HB ASP 37 -10.959 9.097 -30.329 268 2HB ASP 37 2HB ASP 37 -9.720 9.698 -29.234 269 H MET 38 H MET 38 -7.533 10.900 -30.883 270 HA MET 38 HA MET 38 -7.007 13.000 -29.061 271 1HB MET 38 1HB MET 38 -5.220 11.858 -31.225 272 2HB MET 38 2HB MET 38 -4.680 12.896 -29.911 273 1HG MET 38 1HG MET 38 -5.362 11.195 -28.295 274 2HG MET 38 2HG MET 38 -5.898 10.159 -29.614 275 1HE MET 38 1HE MET 38 -2.667 12.438 -29.173 276 2HE MET 38 2HE MET 38 -1.522 11.213 -28.623 277 3HE MET 38 3HE MET 38 -2.914 11.625 -27.626 278 H PHE 39 H PHE 39 -7.235 12.843 -32.566 279 HA PHE 39 HA PHE 39 -6.593 15.543 -33.099 280 1HB PHE 39 1HB PHE 39 -6.620 13.798 -34.843 281 2HB PHE 39 2HB PHE 39 -8.362 13.635 -34.656 282 HD1 PHE 39 HD1 PHE 39 -5.700 16.017 -35.652 283 HD2 PHE 39 HD2 PHE 39 -9.828 14.987 -35.876 284 HE1 PHE 39 HE1 PHE 39 -6.038 17.748 -37.368 285 HE2 PHE 39 HE2 PHE 39 -10.171 16.716 -37.591 286 HZ PHE 39 HZ PHE 39 -8.274 18.100 -38.339 287 H GLU 40 H GLU 40 -9.502 13.938 -32.035 288 HA GLU 40 HA GLU 40 -11.308 16.068 -32.571 289 1HB GLU 40 1HB GLU 40 -11.436 13.685 -30.728 290 2HB GLU 40 2HB GLU 40 -12.755 14.829 -30.894 291 1HG GLU 40 1HG GLU 40 -11.589 13.158 -33.110 292 2HG GLU 40 2HG GLU 40 -13.097 12.836 -32.254 293 H GLY 41 H GLY 41 -8.860 15.686 -30.272 294 1HA GLY 41 1HA GLY 41 -8.257 17.630 -28.977 295 2HA GLY 41 2HA GLY 41 -9.969 17.960 -28.762 296 H GLU 42 H GLU 42 -9.881 14.772 -28.398 297 HA GLU 42 HA GLU 42 -9.685 14.992 -25.485 298 1HB GLU 42 1HB GLU 42 -11.674 13.931 -26.728 299 2HB GLU 42 2HB GLU 42 -10.598 12.577 -27.043 300 1HG GLU 42 1HG GLU 42 -11.961 12.093 -25.127 301 2HG GLU 42 2HG GLU 42 -10.286 12.299 -24.613 302 H LYS 43 H LYS 43 -8.167 13.853 -24.281 303 HA LYS 43 HA LYS 43 -6.437 12.038 -25.746 304 1HB LYS 43 1HB LYS 43 -4.383 13.025 -24.925 305 2HB LYS 43 2HB LYS 43 -5.290 14.176 -25.890 306 1HG LYS 43 1HG LYS 43 -5.346 14.135 -22.888 307 2HG LYS 43 2HG LYS 43 -4.193 15.079 -23.829 308 1HD LYS 43 1HD LYS 43 -6.011 16.310 -24.860 309 2HD LYS 43 2HD LYS 43 -7.195 15.323 -23.996 310 1HE LYS 43 1HE LYS 43 -5.129 17.097 -22.719 311 2HE LYS 43 2HE LYS 43 -6.834 17.494 -22.920 312 1HZ LYS 43 1HZ LYS 43 -6.368 16.670 -20.692 313 2HZ LYS 43 2HZ LYS 43 -5.765 15.216 -21.328 314 3HZ LYS 43 3HZ LYS 43 -7.404 15.616 -21.519 315 H VAL 44 H VAL 44 -6.930 10.260 -24.731 316 HA VAL 44 HA VAL 44 -5.898 9.794 -22.124 317 HB VAL 44 HB VAL 44 -7.872 10.660 -21.202 318 1HG1 VAL 44 1HG1 VAL 44 -9.104 10.957 -23.271 319 2HG1 VAL 44 2HG1 VAL 44 -10.118 10.196 -22.044 320 3HG1 VAL 44 3HG1 VAL 44 -9.428 9.225 -23.345 321 1HG2 VAL 44 1HG2 VAL 44 -9.147 8.732 -20.355 322 2HG2 VAL 44 2HG2 VAL 44 -7.406 8.459 -20.285 323 3HG2 VAL 44 3HG2 VAL 44 -8.368 7.703 -21.556 324 H ALA 45 H ALA 45 -5.253 7.747 -22.005 325 HA ALA 45 HA ALA 45 -6.131 5.930 -24.137 326 1HB ALA 45 1HB ALA 45 -4.117 4.641 -23.634 327 2HB ALA 45 2HB ALA 45 -3.727 5.755 -22.325 328 3HB ALA 45 3HB ALA 45 -3.722 6.322 -23.994 329 H VAL 46 H VAL 46 -7.285 4.180 -23.690 330 HA VAL 46 HA VAL 46 -7.743 3.557 -20.852 331 HB VAL 46 HB VAL 46 -9.774 4.274 -21.980 332 1HG1 VAL 46 1HG1 VAL 46 -10.747 3.049 -23.841 333 2HG1 VAL 46 2HG1 VAL 46 -9.346 1.980 -23.876 334 3HG1 VAL 46 3HG1 VAL 46 -9.160 3.688 -24.272 335 1HG2 VAL 46 1HG2 VAL 46 -10.025 2.611 -20.250 336 2HG2 VAL 46 2HG2 VAL 46 -9.764 1.320 -21.422 337 3HG2 VAL 46 3HG2 VAL 46 -11.207 2.330 -21.528 338 H CYS 47 H CYS 47 -7.441 1.498 -20.147 339 HA CYS 47 HA CYS 47 -6.377 -0.344 -22.149 340 1HB CYS 47 1HB CYS 47 -4.887 0.353 -20.233 341 2HB CYS 47 2HB CYS 47 -5.992 -0.497 -19.157 342 HA PRO 48 HA PRO 48 -9.911 -2.891 -21.234 343 1HB PRO 48 1HB PRO 48 -9.280 -4.905 -22.939 344 2HB PRO 48 2HB PRO 48 -9.966 -3.367 -23.470 345 1HG PRO 48 1HG PRO 48 -7.219 -4.390 -23.734 346 2HG PRO 48 2HG PRO 48 -8.073 -3.185 -24.708 347 1HD PRO 48 1HD PRO 48 -6.158 -2.718 -22.664 348 2HD PRO 48 2HD PRO 48 -7.120 -1.509 -23.532 349 H SER 49 H SER 49 -10.363 -4.870 -20.223 350 HA SER 49 HA SER 49 -10.041 -6.815 -19.103 351 1HB SER 49 1HB SER 49 -7.118 -6.374 -19.675 352 2HB SER 49 2HB SER 49 -7.734 -7.748 -18.760 353 HG SER 49 HG SER 49 -9.103 -7.465 -21.075 354 H CYS 50 H CYS 50 -7.475 -4.449 -18.222 355 HA CYS 50 HA CYS 50 -8.230 -4.813 -15.433 356 1HB CYS 50 1HB CYS 50 -6.377 -3.394 -14.875 357 2HB CYS 50 2HB CYS 50 -5.829 -4.508 -16.123 358 H SER 51 H SER 51 -8.554 -2.543 -18.038 359 HA SER 51 HA SER 51 -9.960 -0.847 -18.439 360 1HB SER 51 1HB SER 51 -11.357 -1.924 -15.993 361 2HB SER 51 2HB SER 51 -11.979 -0.573 -16.944 362 HG SER 51 HG SER 51 -11.802 -2.054 -18.796 363 H LEU 52 H LEU 52 -7.802 0.157 -17.772 364 HA LEU 52 HA LEU 52 -8.321 2.121 -15.655 365 1HB LEU 52 1HB LEU 52 -6.044 0.500 -16.192 366 2HB LEU 52 2HB LEU 52 -5.605 2.162 -16.534 367 HG LEU 52 HG LEU 52 -6.686 1.121 -13.914 368 1HD1 LEU 52 1HD1 LEU 52 -4.452 1.679 -13.064 369 2HD1 LEU 52 2HD1 LEU 52 -3.940 2.082 -14.704 370 3HD1 LEU 52 3HD1 LEU 52 -4.401 0.427 -14.304 371 1HD2 LEU 52 1HD2 LEU 52 -7.441 3.393 -14.312 372 2HD2 LEU 52 2HD2 LEU 52 -5.795 3.893 -14.699 373 3HD2 LEU 52 3HD2 LEU 52 -6.196 3.371 -13.063 374 H MET 53 H MET 53 -7.683 4.283 -16.117 375 HA MET 53 HA MET 53 -7.421 4.936 -18.974 376 1HB MET 53 1HB MET 53 -9.296 6.268 -17.013 377 2HB MET 53 2HB MET 53 -8.976 6.835 -18.647 378 1HG MET 53 1HG MET 53 -9.995 4.938 -19.611 379 2HG MET 53 2HG MET 53 -10.036 4.099 -18.061 380 1HE MET 53 1HE MET 53 -12.716 6.188 -16.105 381 2HE MET 53 2HE MET 53 -10.968 6.430 -16.122 382 3HE MET 53 3HE MET 53 -11.633 4.798 -16.049 383 H ILE 54 H ILE 54 -6.064 6.576 -19.433 384 HA ILE 54 HA ILE 54 -5.071 8.248 -17.264 385 HB ILE 54 HB ILE 54 -2.694 7.789 -17.965 386 1HG1 ILE 54 1HG1 ILE 54 -2.467 5.346 -18.890 387 2HG1 ILE 54 2HG1 ILE 54 -4.081 5.629 -19.530 388 1HG2 ILE 54 1HG2 ILE 54 -3.562 6.910 -15.902 389 2HG2 ILE 54 2HG2 ILE 54 -2.544 5.686 -16.663 390 3HG2 ILE 54 3HG2 ILE 54 -4.304 5.552 -16.751 391 1HD1 ILE 54 1HD1 ILE 54 -1.667 7.318 -20.100 392 2HD1 ILE 54 2HD1 ILE 54 -3.280 7.507 -20.795 393 3HD1 ILE 54 3HD1 ILE 54 -2.323 6.070 -21.160 394 H ASP 55 H ASP 55 -4.049 10.170 -17.985 395 HA ASP 55 HA ASP 55 -5.170 11.093 -20.505 396 1HB ASP 55 1HB ASP 55 -5.092 12.302 -18.157 397 2HB ASP 55 2HB ASP 55 -3.484 12.783 -18.682 398 H VAL 56 H VAL 56 -3.844 12.213 -22.112 399 HA VAL 56 HA VAL 56 -0.994 11.494 -22.003 400 HB VAL 56 HB VAL 56 -2.804 10.946 -24.349 401 1HG1 VAL 56 1HG1 VAL 56 -0.659 11.783 -25.121 402 2HG1 VAL 56 2HG1 VAL 56 -0.820 10.064 -25.477 403 3HG1 VAL 56 3HG1 VAL 56 0.179 10.595 -24.124 404 1HG2 VAL 56 1HG2 VAL 56 -2.118 8.599 -24.014 405 2HG2 VAL 56 2HG2 VAL 56 -3.003 9.257 -22.638 406 3HG2 VAL 56 3HG2 VAL 56 -1.250 9.090 -22.559 407 H VAL 57 H VAL 57 0.185 13.246 -22.283 408 HA VAL 57 HA VAL 57 -0.903 15.709 -23.255 409 HB VAL 57 HB VAL 57 2.015 15.050 -22.833 410 1HG1 VAL 57 1HG1 VAL 57 1.670 17.093 -24.069 411 2HG1 VAL 57 2HG1 VAL 57 2.229 17.469 -22.439 412 3HG1 VAL 57 3HG1 VAL 57 0.527 17.670 -22.856 413 1HG2 VAL 57 1HG2 VAL 57 0.016 16.108 -20.848 414 2HG2 VAL 57 2HG2 VAL 57 1.752 15.953 -20.581 415 3HG2 VAL 57 3HG2 VAL 57 0.764 14.512 -20.827 416 H PHE 58 H PHE 58 -1.354 15.957 -25.373 417 HA PHE 58 HA PHE 58 0.544 14.835 -27.333 418 1HB PHE 58 1HB PHE 58 -1.244 14.694 -28.912 419 2HB PHE 58 2HB PHE 58 -1.838 14.005 -27.406 420 HD1 PHE 58 HD1 PHE 58 -2.362 16.455 -29.958 421 HD2 PHE 58 HD2 PHE 58 -3.316 15.457 -25.930 422 HE1 PHE 58 HE1 PHE 58 -4.301 17.968 -30.044 423 HE2 PHE 58 HE2 PHE 58 -5.252 16.969 -26.014 424 HZ PHE 58 HZ PHE 58 -5.750 18.223 -28.072 425 H ASP 59 H ASP 59 0.777 16.123 -29.368 426 HA ASP 59 HA ASP 59 0.256 18.981 -28.960 427 1HB ASP 59 1HB ASP 59 2.735 18.253 -28.566 428 2HB ASP 59 2HB ASP 59 2.789 18.123 -30.317 429 H LYS 60 H LYS 60 0.309 20.208 -30.907 430 HA LYS 60 HA LYS 60 -1.186 19.128 -33.032 431 1HB LYS 60 1HB LYS 60 0.555 21.593 -33.133 432 2HB LYS 60 2HB LYS 60 -0.923 21.281 -34.029 433 1HG LYS 60 1HG LYS 60 -2.275 21.634 -32.158 434 2HG LYS 60 2HG LYS 60 -0.926 21.454 -31.038 435 1HD LYS 60 1HD LYS 60 -1.378 23.734 -32.959 436 2HD LYS 60 2HD LYS 60 -1.567 23.783 -31.207 437 1HE LYS 60 1HE LYS 60 0.994 23.345 -32.738 438 2HE LYS 60 2HE LYS 60 0.543 24.792 -31.841 439 1HZ LYS 60 1HZ LYS 60 1.362 22.148 -30.806 440 2HZ LYS 60 2HZ LYS 60 0.418 23.177 -29.845 441 3HZ LYS 60 3HZ LYS 60 1.942 23.686 -30.391 442 H GLU 61 H GLU 61 2.209 19.930 -32.599 443 HA GLU 61 HA GLU 61 3.011 19.377 -35.266 444 1HB GLU 61 1HB GLU 61 4.766 19.407 -32.807 445 2HB GLU 61 2HB GLU 61 5.253 19.712 -34.470 446 1HG GLU 61 1HG GLU 61 3.804 21.724 -34.470 447 2HG GLU 61 2HG GLU 61 3.475 21.439 -32.765 448 H ASP 62 H ASP 62 2.924 17.487 -32.295 449 HA ASP 62 HA ASP 62 4.340 15.249 -33.294 450 1HB ASP 62 1HB ASP 62 2.382 15.564 -31.022 451 2HB ASP 62 2HB ASP 62 3.133 14.019 -31.409 452 H LEU 63 H LEU 63 0.876 16.019 -33.158 453 HA LEU 63 HA LEU 63 -0.097 13.563 -34.075 454 1HB LEU 63 1HB LEU 63 -1.255 16.317 -34.504 455 2HB LEU 63 2HB LEU 63 -2.112 14.814 -34.775 456 HG LEU 63 HG LEU 63 -1.132 15.868 -32.125 457 1HD1 LEU 63 1HD1 LEU 63 -3.090 17.026 -32.925 458 2HD1 LEU 63 2HD1 LEU 63 -3.545 15.942 -31.610 459 3HD1 LEU 63 3HD1 LEU 63 -3.891 15.494 -33.280 460 1HD2 LEU 63 1HD2 LEU 63 -0.932 13.435 -32.205 461 2HD2 LEU 63 2HD2 LEU 63 -2.605 13.308 -32.745 462 3HD2 LEU 63 3HD2 LEU 63 -2.245 13.933 -31.136 463 H ALA 64 H ALA 64 0.719 16.497 -35.910 464 HA ALA 64 HA ALA 64 -0.008 15.541 -38.440 465 1HB ALA 64 1HB ALA 64 1.395 17.344 -39.327 466 2HB ALA 64 2HB ALA 64 2.097 17.577 -37.725 467 3HB ALA 64 3HB ALA 64 0.384 17.897 -37.992 468 H GLU 65 H GLU 65 3.040 15.348 -36.683 469 HA GLU 65 HA GLU 65 4.584 14.300 -38.814 470 1HB GLU 65 1HB GLU 65 5.305 15.371 -36.540 471 2HB GLU 65 2HB GLU 65 5.167 13.730 -35.924 472 1HG GLU 65 1HG GLU 65 7.450 14.213 -36.530 473 2HG GLU 65 2HG GLU 65 6.788 12.971 -37.593 474 H TYR 66 H TYR 66 2.900 12.791 -36.085 475 HA TYR 66 HA TYR 66 3.598 10.136 -36.743 476 1HB TYR 66 1HB TYR 66 2.874 10.680 -34.500 477 2HB TYR 66 2HB TYR 66 1.309 11.224 -35.097 478 HD1 TYR 66 HD1 TYR 66 -0.481 9.736 -35.180 479 HD2 TYR 66 HD2 TYR 66 3.481 8.199 -34.932 480 HE1 TYR 66 HE1 TYR 66 -1.385 7.465 -34.915 481 HE2 TYR 66 HE2 TYR 66 2.585 5.925 -34.664 482 HH TYR 66 HH TYR 66 0.441 4.872 -33.857 483 H TYR 67 H TYR 67 0.900 12.205 -37.634 484 HA TYR 67 HA TYR 67 -0.828 10.373 -38.789 485 1HB TYR 67 1HB TYR 67 -0.535 13.182 -38.750 486 2HB TYR 67 2HB TYR 67 -0.655 12.721 -40.443 487 HD1 TYR 67 HD1 TYR 67 -2.415 12.849 -37.230 488 HD2 TYR 67 HD2 TYR 67 -2.690 11.772 -41.333 489 HE1 TYR 67 HE1 TYR 67 -4.864 12.708 -37.023 490 HE2 TYR 67 HE2 TYR 67 -5.132 11.626 -41.136 491 HH TYR 67 HH TYR 67 -6.843 12.826 -38.458 492 H GLU 68 H GLU 68 2.036 11.920 -40.156 493 HA GLU 68 HA GLU 68 1.747 10.789 -42.742 494 1HB GLU 68 1HB GLU 68 4.165 11.913 -41.330 495 2HB GLU 68 2HB GLU 68 4.123 11.470 -43.033 496 1HG GLU 68 1HG GLU 68 2.475 13.602 -41.693 497 2HG GLU 68 2HG GLU 68 3.836 13.848 -42.788 498 H GLU 69 H GLU 69 3.462 9.805 -39.824 499 HA GLU 69 HA GLU 69 4.859 7.643 -41.031 500 1HB GLU 69 1HB GLU 69 4.207 8.275 -38.157 501 2HB GLU 69 2HB GLU 69 5.181 6.890 -38.642 502 1HG GLU 69 1HG GLU 69 6.704 8.510 -39.801 503 2HG GLU 69 2HG GLU 69 5.800 9.802 -39.013 504 H ALA 70 H ALA 70 1.877 7.843 -39.126 505 HA ALA 70 HA ALA 70 1.371 5.050 -39.122 506 1HB ALA 70 1HB ALA 70 0.385 6.575 -37.483 507 2HB ALA 70 2HB ALA 70 -0.853 5.645 -38.327 508 3HB ALA 70 3HB ALA 70 -0.569 7.331 -38.760 509 H GLY 71 H GLY 71 1.064 7.420 -41.528 510 1HA GLY 71 1HA GLY 71 0.444 7.216 -43.729 511 2HA GLY 71 2HA GLY 71 0.160 5.504 -43.434 512 H ILE 72 H ILE 72 -1.272 8.508 -42.181 513 HA ILE 72 HA ILE 72 -3.912 7.350 -42.765 514 HB ILE 72 HB ILE 72 -3.841 9.789 -41.119 515 1HG1 ILE 72 1HG1 ILE 72 -2.654 7.211 -40.068 516 2HG1 ILE 72 2HG1 ILE 72 -1.818 8.743 -40.248 517 1HG2 ILE 72 1HG2 ILE 72 -5.456 8.489 -39.791 518 2HG2 ILE 72 2HG2 ILE 72 -5.143 7.085 -40.811 519 3HG2 ILE 72 3HG2 ILE 72 -5.876 8.533 -41.503 520 1HD1 ILE 72 1HD1 ILE 72 -2.411 8.320 -37.931 521 2HD1 ILE 72 2HD1 ILE 72 -4.113 8.209 -38.379 522 3HD1 ILE 72 3HD1 ILE 72 -3.253 9.738 -38.556 523 H HIS 73 H HIS 73 -5.588 8.943 -43.426 524 HA HIS 73 HA HIS 73 -4.786 10.335 -45.735 525 1HB HIS 73 1HB HIS 73 -7.345 10.200 -44.176 526 2HB HIS 73 2HB HIS 73 -7.175 11.368 -45.483 527 HD1 HIS 73 HD1 HIS 73 -8.469 10.437 -47.376 528 HD2 HIS 73 HD2 HIS 73 -6.144 7.540 -45.501 529 HE1 HIS 73 HE1 HIS 73 -8.729 8.350 -48.761 530 HE2 HIS 73 HE2 HIS 73 -7.120 6.698 -47.745 531 HA PRO 74 HA PRO 74 -2.881 14.008 -44.351 532 1HB PRO 74 1HB PRO 74 -4.569 15.176 -46.536 533 2HB PRO 74 2HB PRO 74 -2.857 15.436 -46.176 534 1HG PRO 74 1HG PRO 74 -3.587 13.785 -48.126 535 2HG PRO 74 2HG PRO 74 -2.220 13.396 -47.065 536 1HD PRO 74 1HD PRO 74 -4.940 12.216 -47.150 537 2HD PRO 74 2HD PRO 74 -3.406 11.489 -46.637 538 HA PRO 75 HA PRO 75 -6.151 15.833 -41.850 539 1HB PRO 75 1HB PRO 75 -4.539 16.754 -39.924 540 2HB PRO 75 2HB PRO 75 -4.880 15.025 -40.076 541 1HG PRO 75 1HG PRO 75 -2.475 16.569 -40.953 542 2HG PRO 75 2HG PRO 75 -2.561 14.978 -40.175 543 1HD PRO 75 1HD PRO 75 -2.236 15.383 -42.885 544 2HD PRO 75 2HD PRO 75 -2.895 13.903 -42.163 545 H GLU 76 H GLU 76 -6.583 18.050 -41.109 546 HA GLU 76 HA GLU 76 -5.786 19.997 -43.041 547 1HB GLU 76 1HB GLU 76 -7.318 20.283 -40.447 548 2HB GLU 76 2HB GLU 76 -7.121 21.562 -41.638 549 1HG GLU 76 1HG GLU 76 -8.305 20.216 -43.288 550 2HG GLU 76 2HG GLU 76 -8.505 18.929 -42.098 551 HA PRO 77 HA PRO 77 -1.971 21.210 -41.255 552 1HB PRO 77 1HB PRO 77 -2.550 23.867 -42.430 553 2HB PRO 77 2HB PRO 77 -1.172 22.792 -42.697 554 1HG PRO 77 1HG PRO 77 -3.062 23.080 -44.556 555 2HG PRO 77 2HG PRO 77 -2.311 21.502 -44.247 556 1HD PRO 77 1HD PRO 77 -4.989 22.534 -43.378 557 2HD PRO 77 2HD PRO 77 -4.541 20.919 -43.966 558 H ILE 78 H ILE 78 -1.165 22.268 -39.525 559 HA ILE 78 HA ILE 78 -3.058 23.613 -37.786 560 HB ILE 78 HB ILE 78 -1.212 23.638 -36.138 561 1HG1 ILE 78 1HG1 ILE 78 0.346 22.196 -38.301 562 2HG1 ILE 78 2HG1 ILE 78 0.664 23.830 -37.735 563 1HG2 ILE 78 1HG2 ILE 78 -1.092 21.203 -35.810 564 2HG2 ILE 78 2HG2 ILE 78 -1.725 20.968 -37.439 565 3HG2 ILE 78 3HG2 ILE 78 -2.722 21.746 -36.210 566 1HD1 ILE 78 1HD1 ILE 78 1.209 22.959 -35.519 567 2HD1 ILE 78 2HD1 ILE 78 2.229 22.246 -36.769 568 3HD1 ILE 78 3HD1 ILE 78 0.891 21.321 -36.089 569 H ALA 79 H ALA 79 -2.197 25.610 -36.589 570 HA ALA 79 HA ALA 79 -1.664 27.610 -38.586 571 1HB ALA 79 1HB ALA 79 -3.287 28.006 -36.797 572 2HB ALA 79 2HB ALA 79 -1.997 29.209 -36.777 573 3HB ALA 79 3HB ALA 79 -1.995 27.892 -35.603 574 H ALA 80 H ALA 80 0.512 26.104 -38.676 575 HA ALA 80 HA ALA 80 2.570 27.920 -37.732 576 1HB ALA 80 1HB ALA 80 2.419 26.326 -35.889 577 2HB ALA 80 2HB ALA 80 3.946 26.149 -36.752 578 3HB ALA 80 3HB ALA 80 2.645 24.987 -37.016 579 H ALA 81 H ALA 81 3.053 28.417 -39.834 580 HA ALA 81 HA ALA 81 4.392 26.337 -41.378 581 1HB ALA 81 1HB ALA 81 2.167 28.007 -42.544 582 2HB ALA 81 2HB ALA 81 2.062 26.290 -42.151 583 3HB ALA 81 3HB ALA 81 3.165 26.841 -43.413 584 H ALA 82 H ALA 82 6.342 27.251 -41.427 585 HA ALA 82 HA ALA 82 6.590 29.764 -42.897 586 1HB ALA 82 1HB ALA 82 8.249 30.632 -41.308 587 2HB ALA 82 2HB ALA 82 7.951 29.253 -40.249 588 3HB ALA 82 3HB ALA 82 6.670 30.425 -40.551 Start of MODEL 2 1 1H MET 1 1H MET 1 -14.505 9.279 -10.222 2 HA MET 1 HA MET 1 -12.949 7.673 -11.999 3 1HB MET 1 1HB MET 1 -15.550 9.142 -12.486 4 2HB MET 1 2HB MET 1 -14.845 7.941 -13.559 5 1HG MET 1 1HG MET 1 -15.085 6.235 -11.848 6 2HG MET 1 2HG MET 1 -15.733 7.434 -10.729 7 1HE MET 1 1HE MET 1 -17.889 6.060 -14.575 8 2HE MET 1 2HE MET 1 -16.341 5.410 -14.034 9 3HE MET 1 3HE MET 1 -16.451 7.079 -14.595 10 H SER 2 H SER 2 -11.090 8.885 -12.374 11 HA SER 2 HA SER 2 -11.319 10.950 -14.370 12 1HB SER 2 1HB SER 2 -9.883 12.520 -12.918 13 2HB SER 2 2HB SER 2 -11.597 12.389 -12.513 14 HG SER 2 HG SER 2 -10.574 10.528 -11.112 15 H THR 3 H THR 3 -9.163 11.708 -15.081 16 HA THR 3 HA THR 3 -7.392 9.503 -15.413 17 HB THR 3 HB THR 3 -5.961 11.357 -16.530 18 HG1 THR 3 HG1 THR 3 -6.784 13.317 -16.501 19 1HG2 THR 3 1HG2 THR 3 -7.364 11.259 -18.536 20 2HG2 THR 3 2HG2 THR 3 -8.724 10.699 -17.563 21 3HG2 THR 3 3HG2 THR 3 -7.291 9.685 -17.738 22 H TYR 4 H TYR 4 -6.275 8.851 -13.669 23 HA TYR 4 HA TYR 4 -5.266 10.758 -11.749 24 1HB TYR 4 1HB TYR 4 -5.716 7.878 -11.824 25 2HB TYR 4 2HB TYR 4 -4.214 8.322 -11.016 26 HD1 TYR 4 HD1 TYR 4 -4.258 9.769 -9.028 27 HD2 TYR 4 HD2 TYR 4 -7.854 8.375 -10.823 28 HE1 TYR 4 HE1 TYR 4 -5.497 10.367 -6.994 29 HE2 TYR 4 HE2 TYR 4 -9.102 8.971 -8.790 30 HH TYR 4 HH TYR 4 -7.771 10.900 -6.320 31 H ASP 5 H ASP 5 -4.130 9.831 -14.643 32 HA ASP 5 HA ASP 5 -1.451 10.688 -13.914 33 1HB ASP 5 1HB ASP 5 -1.702 8.051 -14.093 34 2HB ASP 5 2HB ASP 5 -1.638 8.383 -15.820 35 H GLU 6 H GLU 6 -0.201 11.198 -15.926 36 HA GLU 6 HA GLU 6 -1.702 11.784 -18.310 37 1HB GLU 6 1HB GLU 6 -2.387 13.633 -16.799 38 2HB GLU 6 2HB GLU 6 -0.696 14.064 -16.588 39 1HG GLU 6 1HG GLU 6 -0.509 14.646 -18.919 40 2HG GLU 6 2HG GLU 6 -2.158 14.102 -19.217 41 H ILE 7 H ILE 7 -0.241 11.139 -19.781 42 HA ILE 7 HA ILE 7 2.607 11.706 -19.178 43 HB ILE 7 HB ILE 7 1.703 9.407 -20.907 44 1HG1 ILE 7 1HG1 ILE 7 2.572 8.197 -18.627 45 2HG1 ILE 7 2HG1 ILE 7 1.734 9.600 -17.967 46 1HG2 ILE 7 1HG2 ILE 7 4.002 10.133 -21.189 47 2HG2 ILE 7 2HG2 ILE 7 3.944 8.542 -20.428 48 3HG2 ILE 7 3HG2 ILE 7 4.284 9.974 -19.454 49 1HD1 ILE 7 1HD1 ILE 7 0.565 7.585 -19.867 50 2HD1 ILE 7 2HD1 ILE 7 -0.273 8.983 -19.194 51 3HD1 ILE 7 3HD1 ILE 7 0.258 7.678 -18.131 52 H GLU 8 H GLU 8 3.897 12.474 -20.820 53 HA GLU 8 HA GLU 8 2.706 13.770 -23.023 54 1HB GLU 8 1HB GLU 8 5.584 12.897 -22.698 55 2HB GLU 8 2HB GLU 8 4.994 14.088 -23.847 56 1HG GLU 8 1HG GLU 8 4.200 15.422 -21.851 57 2HG GLU 8 2HG GLU 8 5.131 14.303 -20.856 58 H ILE 9 H ILE 9 2.373 13.165 -25.088 59 HA ILE 9 HA ILE 9 1.848 10.556 -25.777 60 HB ILE 9 HB ILE 9 0.970 12.459 -27.007 61 1HG1 ILE 9 1HG1 ILE 9 2.619 10.689 -28.821 62 2HG1 ILE 9 2HG1 ILE 9 1.059 10.262 -28.133 63 1HG2 ILE 9 1HG2 ILE 9 2.345 13.701 -28.612 64 2HG2 ILE 9 2HG2 ILE 9 3.771 12.825 -28.056 65 3HG2 ILE 9 3HG2 ILE 9 2.916 13.906 -26.956 66 1HD1 ILE 9 1HD1 ILE 9 1.583 12.514 -30.056 67 2HD1 ILE 9 2HD1 ILE 9 0.019 12.111 -29.347 68 3HD1 ILE 9 3HD1 ILE 9 0.817 10.970 -30.430 69 H GLU 10 H GLU 10 4.863 12.246 -25.919 70 HA GLU 10 HA GLU 10 6.325 10.680 -27.696 71 1HB GLU 10 1HB GLU 10 7.023 12.871 -26.817 72 2HB GLU 10 2HB GLU 10 7.278 12.151 -25.235 73 1HG GLU 10 1HG GLU 10 8.961 10.630 -26.338 74 2HG GLU 10 2HG GLU 10 8.820 11.663 -27.760 75 H ASP 11 H ASP 11 5.519 10.111 -24.307 76 HA ASP 11 HA ASP 11 7.648 8.179 -23.976 77 1HB ASP 11 1HB ASP 11 6.852 9.692 -22.137 78 2HB ASP 11 2HB ASP 11 5.373 8.736 -22.072 79 H MET 12 H MET 12 4.238 8.122 -24.672 80 HA MET 12 HA MET 12 3.795 5.375 -24.178 81 1HB MET 12 1HB MET 12 2.400 7.265 -26.076 82 2HB MET 12 2HB MET 12 1.846 5.636 -25.719 83 1HG MET 12 1HG MET 12 1.627 6.270 -23.347 84 2HG MET 12 2HG MET 12 2.081 7.919 -23.774 85 1HE MET 12 1HE MET 12 -0.625 5.084 -24.179 86 2HE MET 12 2HE MET 12 -0.129 5.407 -25.840 87 3HE MET 12 3HE MET 12 -1.751 5.845 -25.303 88 H THR 13 H THR 13 3.501 3.670 -25.760 89 HA THR 13 HA THR 13 5.570 3.784 -27.811 90 HB THR 13 HB THR 13 3.952 1.406 -26.883 91 HG1 THR 13 HG1 THR 13 6.236 2.671 -25.850 92 1HG2 THR 13 1HG2 THR 13 4.986 1.115 -29.081 93 2HG2 THR 13 2HG2 THR 13 5.771 0.096 -27.874 94 3HG2 THR 13 3HG2 THR 13 6.551 1.583 -28.412 95 H PHE 14 H PHE 14 4.951 4.467 -29.721 96 HA PHE 14 HA PHE 14 2.220 4.476 -30.559 97 1HB PHE 14 1HB PHE 14 3.120 5.476 -32.650 98 2HB PHE 14 2HB PHE 14 3.652 6.322 -31.202 99 HD1 PHE 14 HD1 PHE 14 4.662 4.461 -34.127 100 HD2 PHE 14 HD2 PHE 14 5.986 6.024 -30.397 101 HE1 PHE 14 HE1 PHE 14 6.996 4.237 -34.866 102 HE2 PHE 14 HE2 PHE 14 8.324 5.800 -31.129 103 HZ PHE 14 HZ PHE 14 8.833 4.907 -33.367 104 H GLU 15 H GLU 15 1.195 3.174 -31.988 105 HA GLU 15 HA GLU 15 2.822 1.176 -33.389 106 1HB GLU 15 1HB GLU 15 1.461 0.142 -31.579 107 2HB GLU 15 2HB GLU 15 0.012 0.733 -32.385 108 1HG GLU 15 1HG GLU 15 0.412 -0.638 -34.286 109 2HG GLU 15 2HG GLU 15 2.010 -1.089 -33.695 110 HA PRO 16 HA PRO 16 1.038 3.970 -36.474 111 1HB PRO 16 1HB PRO 16 2.810 3.218 -38.434 112 2HB PRO 16 2HB PRO 16 3.128 4.475 -37.235 113 1HG PRO 16 1HG PRO 16 3.996 1.615 -37.265 114 2HG PRO 16 2HG PRO 16 4.907 3.060 -36.786 115 1HD PRO 16 1HD PRO 16 3.828 1.393 -34.972 116 2HD PRO 16 2HD PRO 16 3.914 3.146 -34.699 117 H GLU 17 H GLU 17 1.654 0.545 -36.680 118 HA GLU 17 HA GLU 17 0.377 0.106 -39.172 119 1HB GLU 17 1HB GLU 17 0.915 -1.820 -36.905 120 2HB GLU 17 2HB GLU 17 0.418 -2.277 -38.528 121 1HG GLU 17 1HG GLU 17 2.481 -1.186 -39.397 122 2HG GLU 17 2HG GLU 17 2.989 -0.934 -37.729 123 H ASN 18 H ASN 18 -0.829 0.566 -35.970 124 HA ASN 18 HA ASN 18 -3.509 -0.187 -36.936 125 1HB ASN 18 1HB ASN 18 -2.360 -0.292 -34.152 126 2HB ASN 18 2HB ASN 18 -4.093 -0.322 -34.451 127 1HD2 ASN 18 1HD2 ASN 18 -1.133 -2.080 -34.618 128 2HD2 ASN 18 2HD2 ASN 18 -1.813 -3.611 -35.058 129 H GLN 19 H GLN 19 -1.662 2.357 -36.685 130 HA GLN 19 HA GLN 19 -1.967 4.599 -36.610 131 1HB GLN 19 1HB GLN 19 -4.843 3.775 -37.015 132 2HB GLN 19 2HB GLN 19 -4.295 5.439 -37.072 133 1HG GLN 19 1HG GLN 19 -4.433 4.826 -39.297 134 2HG GLN 19 2HG GLN 19 -2.718 4.658 -38.934 135 1HE2 GLN 19 1HE2 GLN 19 -1.770 2.666 -39.071 136 2HE2 GLN 19 2HE2 GLN 19 -2.601 1.248 -39.615 137 H MET 20 H MET 20 -1.687 3.484 -34.064 138 HA MET 20 HA MET 20 -3.141 5.445 -32.511 139 1HB MET 20 1HB MET 20 -4.154 3.883 -30.958 140 2HB MET 20 2HB MET 20 -4.736 3.571 -32.585 141 1HG MET 20 1HG MET 20 -3.158 1.698 -32.767 142 2HG MET 20 2HG MET 20 -2.642 1.995 -31.108 143 1HE MET 20 1HE MET 20 -4.689 -1.304 -30.721 144 2HE MET 20 2HE MET 20 -3.169 -0.482 -30.371 145 3HE MET 20 3HE MET 20 -3.608 -0.848 -32.040 146 H PHE 21 H PHE 21 -2.545 5.240 -30.138 147 HA PHE 21 HA PHE 21 0.273 4.414 -29.889 148 1HB PHE 21 1HB PHE 21 -1.256 6.641 -28.535 149 2HB PHE 21 2HB PHE 21 0.308 6.077 -27.962 150 HD1 PHE 21 HD1 PHE 21 -1.413 7.561 -30.889 151 HD2 PHE 21 HD2 PHE 21 2.281 6.870 -28.898 152 HE1 PHE 21 HE1 PHE 21 -0.291 9.100 -32.444 153 HE2 PHE 21 HE2 PHE 21 3.411 8.405 -30.450 154 HZ PHE 21 HZ PHE 21 2.126 9.525 -32.224 155 H THR 22 H THR 22 0.859 3.171 -28.146 156 HA THR 22 HA THR 22 -1.277 2.407 -26.282 157 HB THR 22 HB THR 22 -0.318 0.049 -26.374 158 HG1 THR 22 HG1 THR 22 1.282 1.246 -28.170 159 1HG2 THR 22 1HG2 THR 22 -1.696 -0.577 -28.297 160 2HG2 THR 22 2HG2 THR 22 -1.742 1.106 -28.819 161 3HG2 THR 22 3HG2 THR 22 -2.508 0.633 -27.303 162 H TYR 23 H TYR 23 -0.664 2.255 -24.201 163 HA TYR 23 HA TYR 23 2.210 2.543 -23.633 164 1HB TYR 23 1HB TYR 23 0.435 4.256 -22.789 165 2HB TYR 23 2HB TYR 23 0.039 3.015 -21.605 166 HD1 TYR 23 HD1 TYR 23 1.001 3.386 -19.526 167 HD2 TYR 23 HD2 TYR 23 3.173 4.476 -23.019 168 HE1 TYR 23 HE1 TYR 23 2.865 4.169 -18.123 169 HE2 TYR 23 HE2 TYR 23 5.034 5.261 -21.624 170 HH TYR 23 HH TYR 23 5.505 5.983 -19.422 171 HA PRO 24 HA PRO 24 2.024 -1.774 -22.759 172 1HB PRO 24 1HB PRO 24 4.414 -1.869 -21.345 173 2HB PRO 24 2HB PRO 24 4.256 -1.993 -23.099 174 1HG PRO 24 1HG PRO 24 4.955 0.373 -21.418 175 2HG PRO 24 2HG PRO 24 5.602 -0.115 -22.995 176 1HD PRO 24 1HD PRO 24 3.815 1.870 -22.768 177 2HD PRO 24 2HD PRO 24 3.782 0.749 -24.145 178 H CYS 25 H CYS 25 0.568 -2.386 -21.342 179 HA CYS 25 HA CYS 25 1.180 -2.114 -18.481 180 1HB CYS 25 1HB CYS 25 -0.713 -0.710 -18.877 181 2HB CYS 25 2HB CYS 25 -1.475 -1.916 -19.905 182 HA PRO 26 HA PRO 26 0.684 -6.539 -18.792 183 1HB PRO 26 1HB PRO 26 1.397 -6.856 -16.063 184 2HB PRO 26 2HB PRO 26 2.442 -7.051 -17.468 185 1HG PRO 26 1HG PRO 26 2.676 -5.058 -15.530 186 2HG PRO 26 2HG PRO 26 3.432 -5.040 -17.131 187 1HD PRO 26 1HD PRO 26 0.962 -3.667 -16.183 188 2HD PRO 26 2HD PRO 26 2.176 -3.129 -17.366 189 H CYS 27 H CYS 27 -1.296 -7.312 -18.778 190 HA CYS 27 HA CYS 27 -2.764 -7.903 -16.464 191 1HB CYS 27 1HB CYS 27 -4.668 -6.398 -16.678 192 2HB CYS 27 2HB CYS 27 -3.204 -5.436 -16.499 193 H GLY 28 H GLY 28 -3.047 -6.990 -19.843 194 1HA GLY 28 1HA GLY 28 -3.464 -9.498 -20.923 195 2HA GLY 28 2HA GLY 28 -5.062 -8.871 -20.527 196 H ASP 29 H ASP 29 -4.163 -6.109 -20.914 197 HA ASP 29 HA ASP 29 -3.534 -5.971 -23.761 198 1HB ASP 29 1HB ASP 29 -6.122 -5.890 -23.185 199 2HB ASP 29 2HB ASP 29 -5.749 -4.226 -22.743 200 H ARG 30 H ARG 30 -3.352 -3.417 -24.260 201 HA ARG 30 HA ARG 30 -1.923 -2.230 -21.970 202 1HB ARG 30 1HB ARG 30 -0.293 -1.294 -23.595 203 2HB ARG 30 2HB ARG 30 -0.250 -3.045 -23.475 204 1HG ARG 30 1HG ARG 30 -1.667 -3.128 -25.539 205 2HG ARG 30 2HG ARG 30 -1.426 -1.385 -25.689 206 1HD ARG 30 1HD ARG 30 1.002 -1.740 -25.732 207 2HD ARG 30 2HD ARG 30 0.743 -3.480 -25.625 208 HE ARG 30 HE ARG 30 -0.429 -2.025 -27.879 209 1HH1 ARG 30 1HH1 ARG 30 1.945 -4.296 -26.666 210 2HH1 ARG 30 2HH1 ARG 30 2.436 -4.824 -28.254 211 1HH2 ARG 30 1HH2 ARG 30 0.206 -2.737 -29.974 212 2HH2 ARG 30 2HH2 ARG 30 1.441 -3.950 -30.117 213 H PHE 31 H PHE 31 -2.013 0.023 -21.766 214 HA PHE 31 HA PHE 31 -4.370 1.309 -22.246 215 1HB PHE 31 1HB PHE 31 -1.614 2.528 -22.017 216 2HB PHE 31 2HB PHE 31 -3.101 3.466 -21.974 217 HD1 PHE 31 HD1 PHE 31 -0.825 1.378 -20.118 218 HD2 PHE 31 HD2 PHE 31 -4.697 3.146 -20.099 219 HE1 PHE 31 HE1 PHE 31 -0.963 1.043 -17.684 220 HE2 PHE 31 HE2 PHE 31 -4.841 2.813 -17.667 221 HZ PHE 31 HZ PHE 31 -2.974 1.762 -16.458 222 H GLN 32 H GLN 32 -5.382 1.689 -24.091 223 HA GLN 32 HA GLN 32 -3.757 2.345 -26.447 224 1HB GLN 32 1HB GLN 32 -5.665 1.451 -27.771 225 2HB GLN 32 2HB GLN 32 -4.889 0.256 -26.743 226 1HG GLN 32 1HG GLN 32 -6.692 0.518 -25.104 227 2HG GLN 32 2HG GLN 32 -7.481 1.672 -26.181 228 1HE2 GLN 32 1HE2 GLN 32 -6.560 -1.656 -25.726 229 2HE2 GLN 32 2HE2 GLN 32 -7.631 -2.319 -26.912 230 H ILE 33 H ILE 33 -4.126 4.153 -27.543 231 HA ILE 33 HA ILE 33 -6.543 5.709 -26.943 232 HB ILE 33 HB ILE 33 -4.707 6.686 -25.641 233 1HG1 ILE 33 1HG1 ILE 33 -5.428 8.435 -28.003 234 2HG1 ILE 33 2HG1 ILE 33 -6.481 8.133 -26.624 235 1HG2 ILE 33 1HG2 ILE 33 -3.342 7.075 -28.298 236 2HG2 ILE 33 2HG2 ILE 33 -2.826 5.984 -27.011 237 3HG2 ILE 33 3HG2 ILE 33 -2.796 7.729 -26.755 238 1HD1 ILE 33 1HD1 ILE 33 -5.384 10.274 -26.409 239 2HD1 ILE 33 2HD1 ILE 33 -3.802 9.508 -26.553 240 3HD1 ILE 33 3HD1 ILE 33 -4.818 9.173 -25.152 241 H TYR 34 H TYR 34 -7.464 6.723 -28.690 242 HA TYR 34 HA TYR 34 -6.420 5.788 -31.259 243 1HB TYR 34 1HB TYR 34 -9.108 7.054 -30.703 244 2HB TYR 34 2HB TYR 34 -8.643 6.099 -32.107 245 HD1 TYR 34 HD1 TYR 34 -7.904 3.623 -31.580 246 HD2 TYR 34 HD2 TYR 34 -10.244 6.040 -28.975 247 HE1 TYR 34 HE1 TYR 34 -8.726 1.599 -30.449 248 HE2 TYR 34 HE2 TYR 34 -11.067 4.028 -27.836 249 HH TYR 34 HH TYR 34 -9.647 1.001 -28.196 250 H LEU 35 H LEU 35 -5.508 7.120 -32.675 251 HA LEU 35 HA LEU 35 -4.754 9.730 -32.092 252 1HB LEU 35 1HB LEU 35 -3.998 7.962 -33.909 253 2HB LEU 35 2HB LEU 35 -5.100 8.860 -34.929 254 HG LEU 35 HG LEU 35 -2.734 9.545 -35.167 255 1HD1 LEU 35 1HD1 LEU 35 -4.562 11.674 -34.086 256 2HD1 LEU 35 2HD1 LEU 35 -4.476 11.113 -35.756 257 3HD1 LEU 35 3HD1 LEU 35 -3.103 11.956 -35.037 258 1HD2 LEU 35 1HD2 LEU 35 -2.001 9.196 -32.889 259 2HD2 LEU 35 2HD2 LEU 35 -3.055 10.497 -32.330 260 3HD2 LEU 35 3HD2 LEU 35 -1.689 10.859 -33.387 261 H ASP 36 H ASP 36 -7.568 8.512 -33.763 262 HA ASP 36 HA ASP 36 -8.537 10.832 -34.958 263 1HB ASP 36 1HB ASP 36 -9.485 8.684 -35.485 264 2HB ASP 36 2HB ASP 36 -9.984 8.440 -33.816 265 H ASP 37 H ASP 37 -9.206 9.532 -31.708 266 HA ASP 37 HA ASP 37 -10.974 11.652 -31.003 267 1HB ASP 37 1HB ASP 37 -9.538 9.605 -29.304 268 2HB ASP 37 2HB ASP 37 -10.705 10.760 -28.667 269 H MET 38 H MET 38 -7.541 11.119 -30.692 270 HA MET 38 HA MET 38 -6.954 13.099 -28.789 271 1HB MET 38 1HB MET 38 -5.214 12.209 -31.102 272 2HB MET 38 2HB MET 38 -4.666 13.005 -29.633 273 1HG MET 38 1HG MET 38 -5.390 11.066 -28.325 274 2HG MET 38 2HG MET 38 -5.909 10.270 -29.810 275 1HE MET 38 1HE MET 38 -2.933 11.367 -27.568 276 2HE MET 38 2HE MET 38 -2.707 12.440 -28.949 277 3HE MET 38 3HE MET 38 -1.539 11.158 -28.632 278 H PHE 39 H PHE 39 -7.173 13.229 -32.316 279 HA PHE 39 HA PHE 39 -6.426 15.950 -32.580 280 1HB PHE 39 1HB PHE 39 -6.379 14.292 -34.437 281 2HB PHE 39 2HB PHE 39 -8.139 14.281 -34.439 282 HD1 PHE 39 HD1 PHE 39 -9.346 15.886 -35.637 283 HD2 PHE 39 HD2 PHE 39 -5.185 16.454 -34.961 284 HE1 PHE 39 HE1 PHE 39 -9.357 17.782 -37.201 285 HE2 PHE 39 HE2 PHE 39 -5.188 18.356 -36.527 286 HZ PHE 39 HZ PHE 39 -7.276 19.022 -37.649 287 H GLU 40 H GLU 40 -9.449 14.323 -31.925 288 HA GLU 40 HA GLU 40 -11.127 16.583 -32.341 289 1HB GLU 40 1HB GLU 40 -11.481 13.930 -30.993 290 2HB GLU 40 2HB GLU 40 -12.721 15.168 -30.874 291 1HG GLU 40 1HG GLU 40 -11.655 13.965 -33.417 292 2HG GLU 40 2HG GLU 40 -13.209 13.601 -32.662 293 H GLY 41 H GLY 41 -8.952 15.750 -29.880 294 1HA GLY 41 1HA GLY 41 -8.374 17.460 -28.283 295 2HA GLY 41 2HA GLY 41 -10.071 17.906 -28.215 296 H GLU 42 H GLU 42 -10.012 14.623 -28.270 297 HA GLU 42 HA GLU 42 -10.231 14.513 -25.345 298 1HB GLU 42 1HB GLU 42 -12.135 13.705 -26.785 299 2HB GLU 42 2HB GLU 42 -11.078 12.417 -27.354 300 1HG GLU 42 1HG GLU 42 -10.946 11.460 -25.182 301 2HG GLU 42 2HG GLU 42 -11.755 12.848 -24.455 302 H LYS 43 H LYS 43 -8.133 14.302 -24.668 303 HA LYS 43 HA LYS 43 -6.582 12.147 -25.884 304 1HB LYS 43 1HB LYS 43 -4.561 13.216 -25.140 305 2HB LYS 43 2HB LYS 43 -5.532 14.346 -26.062 306 1HG LYS 43 1HG LYS 43 -5.477 14.291 -23.059 307 2HG LYS 43 2HG LYS 43 -4.375 15.261 -24.031 308 1HD LYS 43 1HD LYS 43 -6.474 16.260 -25.090 309 2HD LYS 43 2HD LYS 43 -7.351 15.512 -23.754 310 1HE LYS 43 1HE LYS 43 -5.051 17.410 -23.463 311 2HE LYS 43 2HE LYS 43 -6.750 17.852 -23.313 312 1HZ LYS 43 1HZ LYS 43 -5.336 15.879 -21.586 313 2HZ LYS 43 2HZ LYS 43 -6.946 16.377 -21.426 314 3HZ LYS 43 3HZ LYS 43 -5.691 17.482 -21.153 315 H VAL 44 H VAL 44 -7.029 10.364 -24.811 316 HA VAL 44 HA VAL 44 -5.960 9.993 -22.208 317 HB VAL 44 HB VAL 44 -7.946 10.929 -21.326 318 1HG1 VAL 44 1HG1 VAL 44 -10.195 10.299 -22.023 319 2HG1 VAL 44 2HG1 VAL 44 -9.521 9.216 -23.240 320 3HG1 VAL 44 3HG1 VAL 44 -9.265 10.956 -23.371 321 1HG2 VAL 44 1HG2 VAL 44 -8.344 7.940 -21.374 322 2HG2 VAL 44 2HG2 VAL 44 -9.071 9.058 -20.221 323 3HG2 VAL 44 3HG2 VAL 44 -7.322 8.836 -20.250 324 H ALA 45 H ALA 45 -5.314 7.940 -22.029 325 HA ALA 45 HA ALA 45 -6.204 6.068 -24.107 326 1HB ALA 45 1HB ALA 45 -3.777 5.965 -22.314 327 2HB ALA 45 2HB ALA 45 -3.799 6.492 -23.997 328 3HB ALA 45 3HB ALA 45 -4.163 4.815 -23.593 329 H VAL 46 H VAL 46 -7.106 4.141 -23.631 330 HA VAL 46 HA VAL 46 -7.705 3.630 -20.791 331 HB VAL 46 HB VAL 46 -9.723 4.225 -21.983 332 1HG1 VAL 46 1HG1 VAL 46 -10.580 2.893 -23.851 333 2HG1 VAL 46 2HG1 VAL 46 -9.077 1.971 -23.863 334 3HG1 VAL 46 3HG1 VAL 46 -9.059 3.693 -24.245 335 1HG2 VAL 46 1HG2 VAL 46 -9.603 1.278 -21.400 336 2HG2 VAL 46 2HG2 VAL 46 -11.085 2.216 -21.569 337 3HG2 VAL 46 3HG2 VAL 46 -9.969 2.565 -20.249 338 H CYS 47 H CYS 47 -7.314 1.631 -20.000 339 HA CYS 47 HA CYS 47 -6.241 -0.299 -21.919 340 1HB CYS 47 1HB CYS 47 -4.795 0.565 -19.960 341 2HB CYS 47 2HB CYS 47 -5.821 -0.429 -18.937 342 HA PRO 48 HA PRO 48 -9.911 -2.667 -20.806 343 1HB PRO 48 1HB PRO 48 -9.477 -4.611 -22.675 344 2HB PRO 48 2HB PRO 48 -10.301 -3.088 -23.018 345 1HG PRO 48 1HG PRO 48 -7.524 -3.922 -23.646 346 2HG PRO 48 2HG PRO 48 -8.616 -2.864 -24.553 347 1HD PRO 48 1HD PRO 48 -6.527 -1.989 -22.973 348 2HD PRO 48 2HD PRO 48 -7.934 -1.008 -23.423 349 H SER 49 H SER 49 -10.199 -4.725 -19.878 350 HA SER 49 HA SER 49 -9.660 -6.718 -18.892 351 1HB SER 49 1HB SER 49 -7.767 -7.139 -20.393 352 2HB SER 49 2HB SER 49 -6.758 -6.036 -19.460 353 HG SER 49 HG SER 49 -6.442 -7.541 -18.027 354 H CYS 50 H CYS 50 -7.205 -4.225 -18.045 355 HA CYS 50 HA CYS 50 -7.819 -4.736 -15.238 356 1HB CYS 50 1HB CYS 50 -5.955 -3.300 -14.697 357 2HB CYS 50 2HB CYS 50 -5.453 -4.419 -15.955 358 H SER 51 H SER 51 -8.352 -2.377 -17.718 359 HA SER 51 HA SER 51 -9.919 -0.773 -17.962 360 1HB SER 51 1HB SER 51 -11.439 -2.385 -16.834 361 2HB SER 51 2HB SER 51 -10.999 -1.676 -15.283 362 HG SER 51 HG SER 51 -12.092 0.117 -15.758 363 H LEU 52 H LEU 52 -7.953 0.575 -17.688 364 HA LEU 52 HA LEU 52 -8.505 2.527 -15.581 365 1HB LEU 52 1HB LEU 52 -6.610 1.146 -14.834 366 2HB LEU 52 2HB LEU 52 -5.749 1.530 -16.310 367 HG LEU 52 HG LEU 52 -5.680 3.907 -15.638 368 1HD1 LEU 52 1HD1 LEU 52 -7.697 3.955 -14.262 369 2HD1 LEU 52 2HD1 LEU 52 -6.297 4.548 -13.369 370 3HD1 LEU 52 3HD1 LEU 52 -6.911 2.922 -13.068 371 1HD2 LEU 52 1HD2 LEU 52 -3.815 2.428 -15.101 372 2HD2 LEU 52 2HD2 LEU 52 -4.590 1.995 -13.577 373 3HD2 LEU 52 3HD2 LEU 52 -4.040 3.649 -13.846 374 H MET 53 H MET 53 -7.866 4.667 -16.132 375 HA MET 53 HA MET 53 -7.206 5.104 -18.963 376 1HB MET 53 1HB MET 53 -9.382 6.521 -17.412 377 2HB MET 53 2HB MET 53 -8.857 6.940 -19.035 378 1HG MET 53 1HG MET 53 -9.724 4.968 -19.946 379 2HG MET 53 2HG MET 53 -9.904 4.225 -18.361 380 1HE MET 53 1HE MET 53 -12.849 6.293 -16.826 381 2HE MET 53 2HE MET 53 -11.154 6.775 -16.736 382 3HE MET 53 3HE MET 53 -11.600 5.077 -16.543 383 H ILE 54 H ILE 54 -5.836 6.750 -19.347 384 HA ILE 54 HA ILE 54 -5.290 8.665 -17.197 385 HB ILE 54 HB ILE 54 -2.948 8.467 -17.265 386 1HG1 ILE 54 1HG1 ILE 54 -2.676 8.215 -19.707 387 2HG1 ILE 54 2HG1 ILE 54 -1.684 7.073 -18.811 388 1HG2 ILE 54 1HG2 ILE 54 -2.506 6.088 -16.723 389 2HG2 ILE 54 2HG2 ILE 54 -4.131 5.698 -17.294 390 3HG2 ILE 54 3HG2 ILE 54 -3.915 6.763 -15.905 391 1HD1 ILE 54 1HD1 ILE 54 -3.357 5.328 -19.261 392 2HD1 ILE 54 2HD1 ILE 54 -2.649 6.007 -20.728 393 3HD1 ILE 54 3HD1 ILE 54 -4.269 6.492 -20.223 394 H ASP 55 H ASP 55 -4.289 10.624 -17.929 395 HA ASP 55 HA ASP 55 -5.346 11.438 -20.494 396 1HB ASP 55 1HB ASP 55 -5.178 12.721 -18.180 397 2HB ASP 55 2HB ASP 55 -3.603 13.181 -18.794 398 H VAL 56 H VAL 56 -4.044 12.384 -22.183 399 HA VAL 56 HA VAL 56 -1.188 11.686 -22.034 400 HB VAL 56 HB VAL 56 -2.972 11.123 -24.399 401 1HG1 VAL 56 1HG1 VAL 56 -0.038 10.578 -24.015 402 2HG1 VAL 56 2HG1 VAL 56 -0.736 11.800 -25.076 403 3HG1 VAL 56 3HG1 VAL 56 -1.005 10.090 -25.406 404 1HG2 VAL 56 1HG2 VAL 56 -2.464 8.762 -23.954 405 2HG2 VAL 56 2HG2 VAL 56 -3.359 9.524 -22.639 406 3HG2 VAL 56 3HG2 VAL 56 -1.624 9.243 -22.481 407 H VAL 57 H VAL 57 -0.045 13.471 -22.324 408 HA VAL 57 HA VAL 57 -1.161 15.879 -23.377 409 HB VAL 57 HB VAL 57 1.753 15.256 -22.878 410 1HG1 VAL 57 1HG1 VAL 57 1.407 17.241 -24.249 411 2HG1 VAL 57 2HG1 VAL 57 1.988 17.685 -22.643 412 3HG1 VAL 57 3HG1 VAL 57 0.283 17.884 -23.049 413 1HG2 VAL 57 1HG2 VAL 57 1.418 16.316 -20.684 414 2HG2 VAL 57 2HG2 VAL 57 0.456 14.848 -20.859 415 3HG2 VAL 57 3HG2 VAL 57 -0.310 16.429 -21.014 416 H PHE 58 H PHE 58 -1.418 16.358 -25.460 417 HA PHE 58 HA PHE 58 0.436 15.158 -27.418 418 1HB PHE 58 1HB PHE 58 -1.345 14.839 -28.967 419 2HB PHE 58 2HB PHE 58 -1.922 14.199 -27.432 420 HD1 PHE 58 HD1 PHE 58 -3.431 15.702 -26.021 421 HD2 PHE 58 HD2 PHE 58 -2.555 16.457 -30.116 422 HE1 PHE 58 HE1 PHE 58 -5.413 17.147 -26.173 423 HE2 PHE 58 HE2 PHE 58 -4.537 17.905 -30.276 424 HZ PHE 58 HZ PHE 58 -5.969 18.251 -28.302 425 H ASP 59 H ASP 59 0.729 16.396 -29.384 426 HA ASP 59 HA ASP 59 -0.043 19.229 -29.180 427 1HB ASP 59 1HB ASP 59 2.484 18.631 -28.684 428 2HB ASP 59 2HB ASP 59 2.577 18.488 -30.431 429 H LYS 60 H LYS 60 0.227 20.312 -31.293 430 HA LYS 60 HA LYS 60 -1.303 19.049 -33.299 431 1HB LYS 60 1HB LYS 60 0.549 21.392 -33.694 432 2HB LYS 60 2HB LYS 60 -0.952 21.055 -34.539 433 1HG LYS 60 1HG LYS 60 -2.253 21.668 -32.666 434 2HG LYS 60 2HG LYS 60 -0.848 21.666 -31.602 435 1HD LYS 60 1HD LYS 60 -1.383 23.587 -33.861 436 2HD LYS 60 2HD LYS 60 -1.480 23.937 -32.137 437 1HE LYS 60 1HE LYS 60 1.018 23.135 -33.626 438 2HE LYS 60 2HE LYS 60 0.603 24.775 -33.139 439 1HZ LYS 60 1HZ LYS 60 1.228 22.471 -31.359 440 2HZ LYS 60 2HZ LYS 60 0.599 23.943 -30.800 441 3HZ LYS 60 3HZ LYS 60 2.120 23.903 -31.555 442 H GLU 61 H GLU 61 2.088 19.778 -32.892 443 HA GLU 61 HA GLU 61 2.943 18.918 -35.448 444 1HB GLU 61 1HB GLU 61 4.525 19.272 -32.900 445 2HB GLU 61 2HB GLU 61 5.193 19.187 -34.525 446 1HG GLU 61 1HG GLU 61 4.140 21.244 -35.138 447 2HG GLU 61 2HG GLU 61 3.250 21.294 -33.618 448 H ASP 62 H ASP 62 2.864 17.369 -32.255 449 HA ASP 62 HA ASP 62 4.251 15.036 -32.979 450 1HB ASP 62 1HB ASP 62 2.163 15.531 -30.859 451 2HB ASP 62 2HB ASP 62 3.014 13.998 -31.032 452 H LEU 63 H LEU 63 0.798 15.815 -33.080 453 HA LEU 63 HA LEU 63 -0.088 13.299 -33.990 454 1HB LEU 63 1HB LEU 63 -1.281 16.028 -34.499 455 2HB LEU 63 2HB LEU 63 -2.093 14.504 -34.787 456 HG LEU 63 HG LEU 63 -1.267 15.625 -32.111 457 1HD1 LEU 63 1HD1 LEU 63 -3.978 15.081 -33.307 458 2HD1 LEU 63 2HD1 LEU 63 -3.240 16.669 -33.106 459 3HD1 LEU 63 3HD1 LEU 63 -3.660 15.708 -31.689 460 1HD2 LEU 63 1HD2 LEU 63 -0.976 13.208 -32.121 461 2HD2 LEU 63 2HD2 LEU 63 -2.600 13.002 -32.775 462 3HD2 LEU 63 3HD2 LEU 63 -2.380 13.659 -31.153 463 H ALA 64 H ALA 64 0.859 16.239 -35.710 464 HA ALA 64 HA ALA 64 0.294 15.426 -38.313 465 1HB ALA 64 1HB ALA 64 0.829 17.732 -37.692 466 2HB ALA 64 2HB ALA 64 1.834 17.168 -39.028 467 3HB ALA 64 3HB ALA 64 2.503 17.263 -37.399 468 H GLU 65 H GLU 65 3.317 15.135 -36.477 469 HA GLU 65 HA GLU 65 4.907 13.907 -38.407 470 1HB GLU 65 1HB GLU 65 5.106 14.536 -35.687 471 2HB GLU 65 2HB GLU 65 5.332 12.797 -35.755 472 1HG GLU 65 1HG GLU 65 6.917 14.836 -37.301 473 2HG GLU 65 2HG GLU 65 7.452 13.996 -35.848 474 H TYR 66 H TYR 66 2.699 12.486 -36.035 475 HA TYR 66 HA TYR 66 3.306 9.801 -36.683 476 1HB TYR 66 1HB TYR 66 2.318 10.522 -34.527 477 2HB TYR 66 2HB TYR 66 0.811 10.886 -35.363 478 HD1 TYR 66 HD1 TYR 66 3.177 8.124 -34.625 479 HD2 TYR 66 HD2 TYR 66 -0.795 9.208 -35.691 480 HE1 TYR 66 HE1 TYR 66 2.470 5.791 -34.328 481 HE2 TYR 66 HE2 TYR 66 -1.514 6.875 -35.395 482 HH TYR 66 HH TYR 66 0.297 4.582 -33.807 483 H TYR 67 H TYR 67 0.829 12.052 -37.875 484 HA TYR 67 HA TYR 67 -0.778 10.295 -39.282 485 1HB TYR 67 1HB TYR 67 0.052 13.133 -39.826 486 2HB TYR 67 2HB TYR 67 -0.973 12.262 -40.953 487 HD1 TYR 67 HD1 TYR 67 -2.974 10.945 -39.568 488 HD2 TYR 67 HD2 TYR 67 -1.081 14.588 -38.465 489 HE1 TYR 67 HE1 TYR 67 -4.970 11.583 -38.282 490 HE2 TYR 67 HE2 TYR 67 -3.068 15.234 -37.172 491 HH TYR 67 HH TYR 67 -5.560 13.064 -36.406 492 H GLU 68 H GLU 68 2.210 11.888 -40.321 493 HA GLU 68 HA GLU 68 2.232 10.756 -42.910 494 1HB GLU 68 1HB GLU 68 4.426 11.980 -41.241 495 2HB GLU 68 2HB GLU 68 4.634 11.491 -42.920 496 1HG GLU 68 1HG GLU 68 2.948 13.069 -43.623 497 2HG GLU 68 2HG GLU 68 2.626 13.508 -41.946 498 H GLU 69 H GLU 69 3.761 9.804 -39.864 499 HA GLU 69 HA GLU 69 5.321 7.752 -41.087 500 1HB GLU 69 1HB GLU 69 4.738 8.432 -38.217 501 2HB GLU 69 2HB GLU 69 5.779 7.096 -38.683 502 1HG GLU 69 1HG GLU 69 6.194 10.024 -39.208 503 2HG GLU 69 2HG GLU 69 7.169 8.954 -38.200 504 H ALA 70 H ALA 70 2.165 7.811 -39.572 505 HA ALA 70 HA ALA 70 2.023 4.914 -39.513 506 1HB ALA 70 1HB ALA 70 -0.199 5.215 -38.596 507 2HB ALA 70 2HB ALA 70 -0.135 6.942 -38.948 508 3HB ALA 70 3HB ALA 70 0.951 6.245 -37.745 509 H GLY 71 H GLY 71 1.262 7.470 -41.688 510 1HA GLY 71 1HA GLY 71 0.716 7.183 -43.953 511 2HA GLY 71 2HA GLY 71 0.235 5.527 -43.607 512 H ILE 72 H ILE 72 -0.801 8.448 -41.943 513 HA ILE 72 HA ILE 72 -3.581 7.760 -42.597 514 HB ILE 72 HB ILE 72 -2.888 9.909 -40.633 515 1HG1 ILE 72 1HG1 ILE 72 -2.739 6.951 -40.008 516 2HG1 ILE 72 2HG1 ILE 72 -1.367 8.050 -40.053 517 1HG2 ILE 72 1HG2 ILE 72 -5.012 7.764 -40.676 518 2HG2 ILE 72 2HG2 ILE 72 -5.225 9.431 -41.212 519 3HG2 ILE 72 3HG2 ILE 72 -4.893 9.085 -39.515 520 1HD1 ILE 72 1HD1 ILE 72 -2.326 9.308 -38.184 521 2HD1 ILE 72 2HD1 ILE 72 -2.062 7.613 -37.771 522 3HD1 ILE 72 3HD1 ILE 72 -3.688 8.189 -38.140 523 H HIS 73 H HIS 73 -4.951 9.979 -42.565 524 HA HIS 73 HA HIS 73 -4.304 11.354 -44.933 525 1HB HIS 73 1HB HIS 73 -6.223 12.110 -42.717 526 2HB HIS 73 2HB HIS 73 -6.148 12.902 -44.283 527 HD1 HIS 73 HD1 HIS 73 -8.297 10.795 -42.672 528 HD2 HIS 73 HD2 HIS 73 -6.337 10.490 -46.330 529 HE1 HIS 73 HE1 HIS 73 -9.639 9.152 -44.030 530 HE2 HIS 73 HE2 HIS 73 -8.562 9.167 -46.311 531 HA PRO 74 HA PRO 74 -1.489 14.524 -43.512 532 1HB PRO 74 1HB PRO 74 -2.886 16.169 -45.557 533 2HB PRO 74 2HB PRO 74 -1.159 15.849 -45.358 534 1HG PRO 74 1HG PRO 74 -2.542 14.673 -47.311 535 2HG PRO 74 2HG PRO 74 -1.280 13.792 -46.427 536 1HD PRO 74 1HD PRO 74 -4.255 13.632 -46.156 537 2HD PRO 74 2HD PRO 74 -3.045 12.334 -46.083 538 HA PRO 75 HA PRO 75 -4.188 16.433 -40.586 539 1HB PRO 75 1HB PRO 75 -2.416 18.255 -39.577 540 2HB PRO 75 2HB PRO 75 -2.408 16.539 -39.153 541 1HG PRO 75 1HG PRO 75 -0.727 18.005 -41.152 542 2HG PRO 75 2HG PRO 75 -0.241 16.776 -39.969 543 1HD PRO 75 1HD PRO 75 -0.613 16.160 -42.552 544 2HD PRO 75 2HD PRO 75 -1.059 15.031 -41.258 545 H GLU 76 H GLU 76 -5.126 18.487 -40.023 546 HA GLU 76 HA GLU 76 -5.546 20.224 -42.250 547 1HB GLU 76 1HB GLU 76 -6.465 20.181 -39.392 548 2HB GLU 76 2HB GLU 76 -6.678 21.641 -40.346 549 1HG GLU 76 1HG GLU 76 -8.688 20.291 -40.347 550 2HG GLU 76 2HG GLU 76 -8.003 20.403 -41.967 551 HA PRO 77 HA PRO 77 -2.084 22.822 -42.007 552 1HB PRO 77 1HB PRO 77 -3.381 25.266 -42.400 553 2HB PRO 77 2HB PRO 77 -2.735 24.208 -43.653 554 1HG PRO 77 1HG PRO 77 -5.529 24.488 -42.662 555 2HG PRO 77 2HG PRO 77 -4.944 24.136 -44.299 556 1HD PRO 77 1HD PRO 77 -5.997 22.219 -42.752 557 2HD PRO 77 2HD PRO 77 -4.628 21.884 -43.834 558 H ILE 78 H ILE 78 -0.968 23.749 -40.496 559 HA ILE 78 HA ILE 78 -2.259 25.193 -38.300 560 HB ILE 78 HB ILE 78 -0.832 23.885 -36.660 561 1HG1 ILE 78 1HG1 ILE 78 -0.701 21.933 -38.972 562 2HG1 ILE 78 2HG1 ILE 78 0.658 22.849 -38.331 563 1HG2 ILE 78 1HG2 ILE 78 -3.054 22.423 -38.069 564 2HG2 ILE 78 2HG2 ILE 78 -3.231 23.592 -36.759 565 3HG2 ILE 78 3HG2 ILE 78 -2.438 22.044 -36.461 566 1HD1 ILE 78 1HD1 ILE 78 0.417 21.682 -36.190 567 2HD1 ILE 78 2HD1 ILE 78 0.714 20.576 -37.532 568 3HD1 ILE 78 3HD1 ILE 78 -0.911 20.740 -36.871 569 H ALA 79 H ALA 79 -0.487 26.080 -36.783 570 HA ALA 79 HA ALA 79 1.578 27.251 -38.449 571 1HB ALA 79 1HB ALA 79 0.340 28.669 -36.889 572 2HB ALA 79 2HB ALA 79 2.064 28.656 -36.516 573 3HB ALA 79 3HB ALA 79 0.941 27.711 -35.538 574 H ALA 80 H ALA 80 2.682 25.237 -38.828 575 HA ALA 80 HA ALA 80 4.597 24.629 -36.681 576 1HB ALA 80 1HB ALA 80 2.949 22.829 -36.706 577 2HB ALA 80 2HB ALA 80 4.519 22.250 -37.264 578 3HB ALA 80 3HB ALA 80 3.235 22.576 -38.428 579 H ALA 81 H ALA 81 5.506 26.367 -38.240 580 HA ALA 81 HA ALA 81 7.357 25.002 -40.010 581 1HB ALA 81 1HB ALA 81 5.522 25.568 -41.515 582 2HB ALA 81 2HB ALA 81 6.944 26.546 -41.878 583 3HB ALA 81 3HB ALA 81 5.591 27.248 -40.988 584 H ALA 82 H ALA 82 9.022 26.647 -40.830 585 HA ALA 82 HA ALA 82 9.409 28.769 -38.835 586 1HB ALA 82 1HB ALA 82 11.789 28.210 -38.697 587 2HB ALA 82 2HB ALA 82 11.533 26.836 -39.773 588 3HB ALA 82 3HB ALA 82 10.782 26.860 -38.176 Start of MODEL 3 1 1H MET 1 1H MET 1 -12.332 5.375 -12.112 2 HA MET 1 HA MET 1 -11.351 7.045 -10.032 3 1HB MET 1 1HB MET 1 -10.460 4.780 -11.460 4 2HB MET 1 2HB MET 1 -9.248 6.027 -11.707 5 1HG MET 1 1HG MET 1 -10.257 5.113 -9.024 6 2HG MET 1 2HG MET 1 -8.771 4.558 -9.788 7 1HE MET 1 1HE MET 1 -7.481 6.827 -6.865 8 2HE MET 1 2HE MET 1 -7.429 5.223 -7.599 9 3HE MET 1 3HE MET 1 -8.916 5.801 -6.845 10 H SER 2 H SER 2 -11.958 7.579 -13.284 11 HA SER 2 HA SER 2 -11.536 9.258 -14.734 12 1HB SER 2 1HB SER 2 -10.458 10.708 -12.305 13 2HB SER 2 2HB SER 2 -10.937 11.451 -13.832 14 HG SER 2 HG SER 2 -12.754 9.861 -12.374 15 H THR 3 H THR 3 -9.436 11.071 -14.974 16 HA THR 3 HA THR 3 -7.265 9.251 -15.604 17 HB THR 3 HB THR 3 -6.333 11.503 -16.606 18 HG1 THR 3 HG1 THR 3 -8.960 12.191 -17.089 19 1HG2 THR 3 1HG2 THR 3 -7.578 11.050 -18.677 20 2HG2 THR 3 2HG2 THR 3 -8.683 10.011 -17.773 21 3HG2 THR 3 3HG2 THR 3 -6.982 9.568 -17.928 22 H TYR 4 H TYR 4 -6.056 8.810 -13.894 23 HA TYR 4 HA TYR 4 -5.512 10.746 -11.834 24 1HB TYR 4 1HB TYR 4 -5.755 8.078 -11.778 25 2HB TYR 4 2HB TYR 4 -4.011 8.179 -11.982 26 HD1 TYR 4 HD1 TYR 4 -6.802 9.335 -9.826 27 HD2 TYR 4 HD2 TYR 4 -2.625 8.579 -10.117 28 HE1 TYR 4 HE1 TYR 4 -6.580 9.672 -7.403 29 HE2 TYR 4 HE2 TYR 4 -2.391 8.921 -7.692 30 HH TYR 4 HH TYR 4 -5.066 9.035 -5.588 31 H ASP 5 H ASP 5 -3.830 9.314 -14.549 32 HA ASP 5 HA ASP 5 -1.510 11.035 -13.980 33 1HB ASP 5 1HB ASP 5 -1.680 8.345 -15.335 34 2HB ASP 5 2HB ASP 5 -0.296 9.410 -15.562 35 H GLU 6 H GLU 6 -0.421 11.925 -15.855 36 HA GLU 6 HA GLU 6 -1.947 12.033 -18.347 37 1HB GLU 6 1HB GLU 6 -2.673 13.966 -16.916 38 2HB GLU 6 2HB GLU 6 -1.005 14.519 -16.890 39 1HG GLU 6 1HG GLU 6 -1.054 14.857 -19.294 40 2HG GLU 6 2HG GLU 6 -2.703 14.239 -19.365 41 H ILE 7 H ILE 7 -0.478 11.440 -19.878 42 HA ILE 7 HA ILE 7 2.361 12.036 -19.259 43 HB ILE 7 HB ILE 7 1.472 9.655 -20.879 44 1HG1 ILE 7 1HG1 ILE 7 2.296 8.518 -18.580 45 2HG1 ILE 7 2HG1 ILE 7 1.565 9.987 -17.937 46 1HG2 ILE 7 1HG2 ILE 7 4.045 10.304 -19.454 47 2HG2 ILE 7 2HG2 ILE 7 3.770 10.356 -21.194 48 3HG2 ILE 7 3HG2 ILE 7 3.708 8.817 -20.340 49 1HD1 ILE 7 1HD1 ILE 7 0.208 7.991 -19.727 50 2HD1 ILE 7 2HD1 ILE 7 -0.526 9.444 -19.050 51 3HD1 ILE 7 3HD1 ILE 7 -0.015 8.135 -17.983 52 H GLU 8 H GLU 8 3.623 12.902 -20.832 53 HA GLU 8 HA GLU 8 2.540 14.017 -23.151 54 1HB GLU 8 1HB GLU 8 5.390 13.287 -22.488 55 2HB GLU 8 2HB GLU 8 4.937 14.144 -23.953 56 1HG GLU 8 1HG GLU 8 3.881 15.883 -22.473 57 2HG GLU 8 2HG GLU 8 4.658 15.076 -21.113 58 H ILE 9 H ILE 9 2.259 13.354 -25.163 59 HA ILE 9 HA ILE 9 1.761 10.693 -25.734 60 HB ILE 9 HB ILE 9 0.762 12.529 -26.981 61 1HG1 ILE 9 1HG1 ILE 9 2.401 10.783 -28.827 62 2HG1 ILE 9 2HG1 ILE 9 0.915 10.283 -28.030 63 1HG2 ILE 9 1HG2 ILE 9 2.647 14.042 -27.056 64 2HG2 ILE 9 2HG2 ILE 9 2.039 13.755 -28.687 65 3HG2 ILE 9 3HG2 ILE 9 3.509 12.950 -28.140 66 1HD1 ILE 9 1HD1 ILE 9 -0.289 12.066 -29.212 67 2HD1 ILE 9 2HD1 ILE 9 0.459 10.903 -30.305 68 3HD1 ILE 9 3HD1 ILE 9 1.202 12.484 -30.056 69 H GLU 10 H GLU 10 4.727 12.483 -26.043 70 HA GLU 10 HA GLU 10 6.095 10.883 -27.882 71 1HB GLU 10 1HB GLU 10 7.210 12.486 -25.580 72 2HB GLU 10 2HB GLU 10 8.151 11.852 -26.921 73 1HG GLU 10 1HG GLU 10 6.706 13.221 -28.448 74 2HG GLU 10 2HG GLU 10 6.030 13.972 -27.002 75 H ASP 11 H ASP 11 5.403 10.344 -24.503 76 HA ASP 11 HA ASP 11 7.555 8.423 -24.235 77 1HB ASP 11 1HB ASP 11 6.813 9.915 -22.340 78 2HB ASP 11 2HB ASP 11 5.350 8.933 -22.236 79 H MET 12 H MET 12 4.013 8.337 -24.478 80 HA MET 12 HA MET 12 3.701 5.567 -24.169 81 1HB MET 12 1HB MET 12 2.078 7.556 -25.758 82 2HB MET 12 2HB MET 12 1.591 5.885 -25.499 83 1HG MET 12 1HG MET 12 1.601 6.278 -23.078 84 2HG MET 12 2HG MET 12 2.030 7.963 -23.369 85 1HE MET 12 1HE MET 12 -0.727 5.188 -23.933 86 2HE MET 12 2HE MET 12 -0.377 5.773 -25.559 87 3HE MET 12 3HE MET 12 -1.941 6.112 -24.818 88 H THR 13 H THR 13 3.637 3.859 -25.624 89 HA THR 13 HA THR 13 5.494 4.112 -27.813 90 HB THR 13 HB THR 13 3.912 1.666 -27.011 91 HG1 THR 13 HG1 THR 13 6.286 2.794 -25.918 92 1HG2 THR 13 1HG2 THR 13 5.830 0.458 -27.940 93 2HG2 THR 13 2HG2 THR 13 6.595 1.989 -28.363 94 3HG2 THR 13 3HG2 THR 13 5.093 1.506 -29.153 95 H PHE 14 H PHE 14 4.980 4.399 -29.895 96 HA PHE 14 HA PHE 14 2.191 4.625 -30.613 97 1HB PHE 14 1HB PHE 14 3.041 5.561 -32.733 98 2HB PHE 14 2HB PHE 14 3.705 6.380 -31.326 99 HD1 PHE 14 HD1 PHE 14 6.068 5.910 -30.638 100 HD2 PHE 14 HD2 PHE 14 4.432 4.488 -34.304 101 HE1 PHE 14 HE1 PHE 14 8.340 5.534 -31.505 102 HE2 PHE 14 HE2 PHE 14 6.701 4.110 -35.174 103 HZ PHE 14 HZ PHE 14 8.660 4.634 -33.773 104 H GLU 15 H GLU 15 1.064 3.396 -32.028 105 HA GLU 15 HA GLU 15 2.494 1.222 -33.400 106 1HB GLU 15 1HB GLU 15 0.688 0.809 -31.396 107 2HB GLU 15 2HB GLU 15 -0.362 0.783 -32.804 108 1HG GLU 15 1HG GLU 15 2.071 -0.950 -32.413 109 2HG GLU 15 2HG GLU 15 0.404 -1.453 -32.153 110 HA PRO 16 HA PRO 16 0.798 4.118 -36.448 111 1HB PRO 16 1HB PRO 16 2.384 3.282 -38.503 112 2HB PRO 16 2HB PRO 16 2.908 4.430 -37.265 113 1HG PRO 16 1HG PRO 16 3.416 1.484 -37.457 114 2HG PRO 16 2HG PRO 16 4.535 2.787 -37.013 115 1HD PRO 16 1HD PRO 16 3.375 1.212 -35.165 116 2HD PRO 16 2HD PRO 16 3.712 2.929 -34.855 117 H GLU 17 H GLU 17 1.051 0.642 -36.712 118 HA GLU 17 HA GLU 17 -0.312 0.383 -39.195 119 1HB GLU 17 1HB GLU 17 -0.055 -1.676 -37.000 120 2HB GLU 17 2HB GLU 17 -0.421 -1.981 -38.694 121 1HG GLU 17 1HG GLU 17 1.805 -1.086 -39.290 122 2HG GLU 17 2HG GLU 17 2.162 -0.922 -37.571 123 H ASN 18 H ASN 18 -1.316 0.637 -35.886 124 HA ASN 18 HA ASN 18 -4.109 0.163 -36.677 125 1HB ASN 18 1HB ASN 18 -2.775 0.092 -33.962 126 2HB ASN 18 2HB ASN 18 -4.517 -0.031 -34.200 127 1HD2 ASN 18 1HD2 ASN 18 -2.476 -1.940 -33.146 128 2HD2 ASN 18 2HD2 ASN 18 -2.698 -3.380 -34.068 129 H GLN 19 H GLN 19 -2.068 2.627 -36.490 130 HA GLN 19 HA GLN 19 -2.247 4.891 -36.335 131 1HB GLN 19 1HB GLN 19 -5.196 4.253 -36.572 132 2HB GLN 19 2HB GLN 19 -4.548 5.883 -36.599 133 1HG GLN 19 1HG GLN 19 -4.893 5.366 -38.832 134 2HG GLN 19 2HG GLN 19 -3.166 5.103 -38.602 135 1HE2 GLN 19 1HE2 GLN 19 -2.331 3.099 -38.855 136 2HE2 GLN 19 2HE2 GLN 19 -3.249 1.733 -39.393 137 H MET 20 H MET 20 -1.953 3.543 -33.871 138 HA MET 20 HA MET 20 -3.392 5.371 -32.109 139 1HB MET 20 1HB MET 20 -4.195 3.642 -30.643 140 2HB MET 20 2HB MET 20 -4.782 3.328 -32.268 141 1HG MET 20 1HG MET 20 -3.124 1.607 -32.581 142 2HG MET 20 2HG MET 20 -2.412 1.971 -31.009 143 1HE MET 20 1HE MET 20 -2.574 -0.560 -30.255 144 2HE MET 20 2HE MET 20 -3.227 -0.956 -31.845 145 3HE MET 20 3HE MET 20 -4.046 -1.526 -30.389 146 H PHE 21 H PHE 21 -2.658 5.119 -29.821 147 HA PHE 21 HA PHE 21 0.183 4.355 -29.680 148 1HB PHE 21 1HB PHE 21 -1.337 6.570 -28.313 149 2HB PHE 21 2HB PHE 21 0.186 5.969 -27.668 150 HD1 PHE 21 HD1 PHE 21 2.208 6.769 -28.471 151 HD2 PHE 21 HD2 PHE 21 -1.344 7.449 -30.708 152 HE1 PHE 21 HE1 PHE 21 3.450 8.266 -29.977 153 HE2 PHE 21 HE2 PHE 21 -0.111 8.946 -32.220 154 HZ PHE 21 HZ PHE 21 2.289 9.357 -31.855 155 H THR 22 H THR 22 0.872 3.267 -27.804 156 HA THR 22 HA THR 22 -1.255 2.211 -26.082 157 HB THR 22 HB THR 22 -0.218 -0.065 -26.242 158 HG1 THR 22 HG1 THR 22 1.369 1.323 -28.097 159 1HG2 THR 22 1HG2 THR 22 -1.219 -0.649 -28.404 160 2HG2 THR 22 2HG2 THR 22 -1.286 1.060 -28.837 161 3HG2 THR 22 3HG2 THR 22 -2.254 0.453 -27.494 162 H TYR 23 H TYR 23 -0.339 1.053 -24.173 163 HA TYR 23 HA TYR 23 2.429 1.692 -23.546 164 1HB TYR 23 1HB TYR 23 1.118 3.570 -22.609 165 2HB TYR 23 2HB TYR 23 0.136 2.425 -21.703 166 HD1 TYR 23 HD1 TYR 23 3.649 3.591 -22.118 167 HD2 TYR 23 HD2 TYR 23 0.785 1.771 -19.554 168 HE1 TYR 23 HE1 TYR 23 5.259 3.688 -20.261 169 HE2 TYR 23 HE2 TYR 23 2.385 1.864 -17.689 170 HH TYR 23 HH TYR 23 5.327 3.653 -17.864 171 HA PRO 24 HA PRO 24 2.046 -2.625 -22.514 172 1HB PRO 24 1HB PRO 24 4.664 -2.098 -21.220 173 2HB PRO 24 2HB PRO 24 4.223 -3.316 -22.422 174 1HG PRO 24 1HG PRO 24 5.664 -1.174 -23.100 175 2HG PRO 24 2HG PRO 24 4.439 -1.845 -24.191 176 1HD PRO 24 1HD PRO 24 4.303 0.590 -22.465 177 2HD PRO 24 2HD PRO 24 3.645 0.319 -24.089 178 H CYS 25 H CYS 25 0.610 -2.977 -20.962 179 HA CYS 25 HA CYS 25 1.412 -2.503 -18.177 180 1HB CYS 25 1HB CYS 25 -0.321 -0.945 -18.514 181 2HB CYS 25 2HB CYS 25 -1.233 -2.046 -19.536 182 HA PRO 26 HA PRO 26 0.608 -6.896 -18.051 183 1HB PRO 26 1HB PRO 26 1.176 -6.874 -15.229 184 2HB PRO 26 2HB PRO 26 2.197 -7.460 -16.544 185 1HG PRO 26 1HG PRO 26 2.773 -5.253 -15.005 186 2HG PRO 26 2HG PRO 26 3.389 -5.519 -16.644 187 1HD PRO 26 1HD PRO 26 1.115 -3.804 -15.728 188 2HD PRO 26 2HD PRO 26 2.329 -3.496 -16.990 189 H CYS 27 H CYS 27 -1.396 -7.609 -18.029 190 HA CYS 27 HA CYS 27 -3.025 -7.860 -15.783 191 1HB CYS 27 1HB CYS 27 -4.830 -6.268 -16.262 192 2HB CYS 27 2HB CYS 27 -3.323 -5.398 -15.998 193 H GLY 28 H GLY 28 -3.246 -7.114 -19.219 194 1HA GLY 28 1HA GLY 28 -3.683 -9.712 -20.124 195 2HA GLY 28 2HA GLY 28 -5.264 -8.986 -19.851 196 H ASP 29 H ASP 29 -4.234 -6.297 -20.469 197 HA ASP 29 HA ASP 29 -3.556 -6.497 -23.302 198 1HB ASP 29 1HB ASP 29 -6.169 -6.247 -22.685 199 2HB ASP 29 2HB ASP 29 -5.697 -4.550 -22.660 200 H ARG 30 H ARG 30 -3.359 -4.038 -24.118 201 HA ARG 30 HA ARG 30 -1.847 -2.648 -22.002 202 1HB ARG 30 1HB ARG 30 -0.365 -1.797 -23.762 203 2HB ARG 30 2HB ARG 30 -0.365 -3.554 -23.724 204 1HG ARG 30 1HG ARG 30 -2.214 -3.266 -25.572 205 2HG ARG 30 2HG ARG 30 -1.432 -1.696 -25.783 206 1HD ARG 30 1HD ARG 30 -0.410 -3.258 -27.289 207 2HD ARG 30 2HD ARG 30 0.744 -2.882 -26.007 208 HE ARG 30 HE ARG 30 -0.909 -5.261 -25.652 209 1HH1 ARG 30 1HH1 ARG 30 2.190 -3.953 -26.649 210 2HH1 ARG 30 2HH1 ARG 30 3.041 -5.443 -26.411 211 1HH2 ARG 30 1HH2 ARG 30 0.209 -7.224 -25.330 212 2HH2 ARG 30 2HH2 ARG 30 1.925 -7.303 -25.656 213 H PHE 31 H PHE 31 -1.870 -0.338 -22.058 214 HA PHE 31 HA PHE 31 -4.310 0.890 -22.391 215 1HB PHE 31 1HB PHE 31 -1.535 2.078 -22.523 216 2HB PHE 31 2HB PHE 31 -2.991 3.062 -22.529 217 HD1 PHE 31 HD1 PHE 31 -0.920 0.775 -20.526 218 HD2 PHE 31 HD2 PHE 31 -4.229 3.449 -20.539 219 HE1 PHE 31 HE1 PHE 31 -0.933 0.769 -18.065 220 HE2 PHE 31 HE2 PHE 31 -4.247 3.446 -18.082 221 HZ PHE 31 HZ PHE 31 -2.597 2.104 -16.841 222 H GLN 32 H GLN 32 -5.413 1.851 -24.029 223 HA GLN 32 HA GLN 32 -4.082 1.941 -26.643 224 1HB GLN 32 1HB GLN 32 -6.030 0.962 -27.726 225 2HB GLN 32 2HB GLN 32 -5.398 -0.130 -26.505 226 1HG GLN 32 1HG GLN 32 -7.171 0.662 -24.956 227 2HG GLN 32 2HG GLN 32 -7.839 1.617 -26.277 228 1HE2 GLN 32 1HE2 GLN 32 -6.438 -1.592 -26.571 229 2HE2 GLN 32 2HE2 GLN 32 -7.900 -2.392 -27.008 230 H ILE 33 H ILE 33 -4.416 3.730 -27.761 231 HA ILE 33 HA ILE 33 -6.860 5.271 -27.472 232 HB ILE 33 HB ILE 33 -5.471 6.288 -25.758 233 1HG1 ILE 33 1HG1 ILE 33 -5.598 8.009 -28.245 234 2HG1 ILE 33 2HG1 ILE 33 -6.914 7.755 -27.103 235 1HG2 ILE 33 1HG2 ILE 33 -3.420 6.716 -27.928 236 2HG2 ILE 33 2HG2 ILE 33 -3.283 5.595 -26.573 237 3HG2 ILE 33 3HG2 ILE 33 -3.322 7.336 -26.278 238 1HD1 ILE 33 1HD1 ILE 33 -5.792 9.900 -26.784 239 2HD1 ILE 33 2HD1 ILE 33 -4.281 9.051 -26.458 240 3HD1 ILE 33 3HD1 ILE 33 -5.651 8.862 -25.366 241 H TYR 34 H TYR 34 -7.497 5.948 -29.434 242 HA TYR 34 HA TYR 34 -5.698 5.488 -31.666 243 1HB TYR 34 1HB TYR 34 -8.636 6.195 -31.569 244 2HB TYR 34 2HB TYR 34 -7.732 5.927 -33.054 245 HD1 TYR 34 HD1 TYR 34 -9.361 4.360 -30.209 246 HD2 TYR 34 HD2 TYR 34 -6.874 3.670 -33.594 247 HE1 TYR 34 HE1 TYR 34 -9.824 1.949 -30.049 248 HE2 TYR 34 HE2 TYR 34 -7.330 1.258 -33.445 249 HH TYR 34 HH TYR 34 -9.799 -0.034 -31.507 250 H LEU 35 H LEU 35 -4.905 6.988 -33.027 251 HA LEU 35 HA LEU 35 -4.534 9.611 -32.058 252 1HB LEU 35 1HB LEU 35 -3.141 8.145 -33.721 253 2HB LEU 35 2HB LEU 35 -4.168 8.858 -34.943 254 HG LEU 35 HG LEU 35 -1.933 9.949 -34.643 255 1HD1 LEU 35 1HD1 LEU 35 -4.341 11.697 -34.174 256 2HD1 LEU 35 2HD1 LEU 35 -3.748 11.136 -35.738 257 3HD1 LEU 35 3HD1 LEU 35 -2.772 12.239 -34.767 258 1HD2 LEU 35 1HD2 LEU 35 -3.148 10.861 -32.044 259 2HD2 LEU 35 2HD2 LEU 35 -1.639 11.451 -32.741 260 3HD2 LEU 35 3HD2 LEU 35 -1.776 9.768 -32.230 261 H ASP 36 H ASP 36 -6.826 8.174 -34.245 262 HA ASP 36 HA ASP 36 -7.759 10.475 -35.550 263 1HB ASP 36 1HB ASP 36 -8.195 8.005 -36.103 264 2HB ASP 36 2HB ASP 36 -9.475 8.083 -34.897 265 H ASP 37 H ASP 37 -8.484 9.123 -32.415 266 HA ASP 37 HA ASP 37 -10.717 10.877 -31.899 267 1HB ASP 37 1HB ASP 37 -9.185 8.899 -30.211 268 2HB ASP 37 2HB ASP 37 -10.387 9.974 -29.510 269 H MET 38 H MET 38 -7.282 10.770 -31.265 270 HA MET 38 HA MET 38 -7.206 12.847 -29.332 271 1HB MET 38 1HB MET 38 -5.022 11.961 -31.233 272 2HB MET 38 2HB MET 38 -4.800 12.922 -29.777 273 1HG MET 38 1HG MET 38 -5.607 11.047 -28.429 274 2HG MET 38 2HG MET 38 -5.792 10.085 -29.892 275 1HE MET 38 1HE MET 38 -1.771 11.454 -28.100 276 2HE MET 38 2HE MET 38 -3.322 11.594 -27.275 277 3HE MET 38 3HE MET 38 -2.987 12.587 -28.695 278 H PHE 39 H PHE 39 -7.074 12.749 -32.824 279 HA PHE 39 HA PHE 39 -6.466 15.458 -33.307 280 1HB PHE 39 1HB PHE 39 -6.325 13.740 -35.050 281 2HB PHE 39 2HB PHE 39 -8.064 13.488 -34.967 282 HD1 PHE 39 HD1 PHE 39 -5.487 16.033 -35.780 283 HD2 PHE 39 HD2 PHE 39 -9.502 14.732 -36.308 284 HE1 PHE 39 HE1 PHE 39 -5.809 17.749 -37.512 285 HE2 PHE 39 HE2 PHE 39 -9.833 16.447 -38.043 286 HZ PHE 39 HZ PHE 39 -7.986 17.958 -38.647 287 H GLU 40 H GLU 40 -9.347 13.851 -32.281 288 HA GLU 40 HA GLU 40 -11.164 15.940 -33.005 289 1HB GLU 40 1HB GLU 40 -11.417 13.563 -31.163 290 2HB GLU 40 2HB GLU 40 -12.737 14.668 -31.516 291 1HG GLU 40 1HG GLU 40 -12.509 14.093 -33.913 292 2HG GLU 40 2HG GLU 40 -11.287 12.902 -33.466 293 H GLY 41 H GLY 41 -8.864 15.571 -30.567 294 1HA GLY 41 1HA GLY 41 -8.382 17.471 -29.166 295 2HA GLY 41 2HA GLY 41 -10.109 17.776 -29.062 296 H GLU 42 H GLU 42 -10.168 14.628 -28.773 297 HA GLU 42 HA GLU 42 -10.113 14.730 -25.862 298 1HB GLU 42 1HB GLU 42 -12.048 13.717 -27.035 299 2HB GLU 42 2HB GLU 42 -10.978 12.501 -27.719 300 1HG GLU 42 1HG GLU 42 -12.180 11.584 -25.847 301 2HG GLU 42 2HG GLU 42 -10.465 11.697 -25.462 302 H LYS 43 H LYS 43 -8.623 13.669 -24.601 303 HA LYS 43 HA LYS 43 -6.750 11.902 -25.930 304 1HB LYS 43 1HB LYS 43 -4.766 13.056 -25.198 305 2HB LYS 43 2HB LYS 43 -5.746 14.114 -26.196 306 1HG LYS 43 1HG LYS 43 -5.679 14.189 -23.191 307 2HG LYS 43 2HG LYS 43 -4.716 15.223 -24.241 308 1HD LYS 43 1HD LYS 43 -6.783 16.138 -25.202 309 2HD LYS 43 2HD LYS 43 -7.724 15.120 -24.110 310 1HE LYS 43 1HE LYS 43 -5.768 17.254 -23.308 311 2HE LYS 43 2HE LYS 43 -7.524 17.379 -23.247 312 1HZ LYS 43 1HZ LYS 43 -7.596 15.669 -21.587 313 2HZ LYS 43 2HZ LYS 43 -6.493 16.851 -21.079 314 3HZ LYS 43 3HZ LYS 43 -5.928 15.388 -21.715 315 H VAL 44 H VAL 44 -7.230 10.185 -24.798 316 HA VAL 44 HA VAL 44 -6.119 9.883 -22.210 317 HB VAL 44 HB VAL 44 -8.058 10.803 -21.259 318 1HG1 VAL 44 1HG1 VAL 44 -9.388 10.931 -23.304 319 2HG1 VAL 44 2HG1 VAL 44 -10.333 10.302 -21.955 320 3HG1 VAL 44 3HG1 VAL 44 -9.725 9.204 -23.196 321 1HG2 VAL 44 1HG2 VAL 44 -9.263 8.927 -20.219 322 2HG2 VAL 44 2HG2 VAL 44 -7.518 8.673 -20.230 323 3HG2 VAL 44 3HG2 VAL 44 -8.538 7.826 -21.391 324 H ALA 45 H ALA 45 -5.402 7.856 -22.083 325 HA ALA 45 HA ALA 45 -6.434 5.941 -24.052 326 1HB ALA 45 1HB ALA 45 -4.007 6.432 -24.088 327 2HB ALA 45 2HB ALA 45 -4.370 4.733 -23.784 328 3HB ALA 45 3HB ALA 45 -3.888 5.781 -22.453 329 H VAL 46 H VAL 46 -7.227 3.987 -23.464 330 HA VAL 46 HA VAL 46 -7.488 3.506 -20.568 331 HB VAL 46 HB VAL 46 -9.645 4.011 -21.567 332 1HG1 VAL 46 1HG1 VAL 46 -9.116 1.689 -23.402 333 2HG1 VAL 46 2HG1 VAL 46 -9.265 3.386 -23.862 334 3HG1 VAL 46 3HG1 VAL 46 -10.667 2.516 -23.240 335 1HG2 VAL 46 1HG2 VAL 46 -9.603 2.437 -19.726 336 2HG2 VAL 46 2HG2 VAL 46 -9.383 1.099 -20.856 337 3HG2 VAL 46 3HG2 VAL 46 -10.888 2.021 -20.861 338 H CYS 47 H CYS 47 -6.864 1.579 -19.817 339 HA CYS 47 HA CYS 47 -5.827 -0.292 -21.782 340 1HB CYS 47 1HB CYS 47 -4.396 0.502 -19.853 341 2HB CYS 47 2HB CYS 47 -5.477 -0.381 -18.782 342 HA PRO 48 HA PRO 48 -9.587 -2.635 -20.996 343 1HB PRO 48 1HB PRO 48 -8.856 -4.644 -22.761 344 2HB PRO 48 2HB PRO 48 -9.795 -3.212 -23.189 345 1HG PRO 48 1HG PRO 48 -6.931 -3.797 -23.637 346 2HG PRO 48 2HG PRO 48 -8.048 -2.826 -24.605 347 1HD PRO 48 1HD PRO 48 -6.135 -1.766 -22.967 348 2HD PRO 48 2HD PRO 48 -7.638 -0.931 -23.402 349 H SER 49 H SER 49 -9.961 -4.691 -20.064 350 HA SER 49 HA SER 49 -9.563 -6.543 -18.832 351 1HB SER 49 1HB SER 49 -6.624 -5.986 -19.202 352 2HB SER 49 2HB SER 49 -7.313 -7.434 -18.469 353 HG SER 49 HG SER 49 -7.116 -6.699 -21.123 354 H CYS 50 H CYS 50 -7.183 -3.962 -18.001 355 HA CYS 50 HA CYS 50 -8.017 -4.343 -15.211 356 1HB CYS 50 1HB CYS 50 -6.054 -3.173 -14.534 357 2HB CYS 50 2HB CYS 50 -5.572 -4.311 -15.783 358 H SER 51 H SER 51 -8.427 -2.221 -17.844 359 HA SER 51 HA SER 51 -9.936 -0.575 -18.189 360 1HB SER 51 1HB SER 51 -11.418 -1.883 -16.680 361 2HB SER 51 2HB SER 51 -10.779 -0.986 -15.307 362 HG SER 51 HG SER 51 -11.524 0.941 -16.448 363 H LEU 52 H LEU 52 -7.237 0.030 -17.315 364 HA LEU 52 HA LEU 52 -7.478 2.203 -15.414 365 1HB LEU 52 1HB LEU 52 -5.553 0.377 -15.738 366 2HB LEU 52 2HB LEU 52 -4.924 1.606 -16.816 367 HG LEU 52 HG LEU 52 -5.573 2.081 -13.905 368 1HD1 LEU 52 1HD1 LEU 52 -2.922 1.546 -15.229 369 2HD1 LEU 52 2HD1 LEU 52 -3.766 0.474 -14.112 370 3HD1 LEU 52 3HD1 LEU 52 -3.154 2.029 -13.550 371 1HD2 LEU 52 1HD2 LEU 52 -5.640 4.102 -15.276 372 2HD2 LEU 52 2HD2 LEU 52 -4.029 3.739 -15.893 373 3HD2 LEU 52 3HD2 LEU 52 -4.256 4.113 -14.184 374 H MET 53 H MET 53 -7.495 4.278 -15.949 375 HA MET 53 HA MET 53 -7.264 4.972 -18.805 376 1HB MET 53 1HB MET 53 -8.953 6.316 -16.684 377 2HB MET 53 2HB MET 53 -8.915 6.716 -18.398 378 1HG MET 53 1HG MET 53 -10.052 4.803 -19.009 379 2HG MET 53 2HG MET 53 -9.619 3.959 -17.518 380 1HE MET 53 1HE MET 53 -10.742 4.438 -15.166 381 2HE MET 53 2HE MET 53 -11.925 5.715 -14.888 382 3HE MET 53 3HE MET 53 -10.264 6.129 -15.310 383 H ILE 54 H ILE 54 -6.008 6.665 -19.389 384 HA ILE 54 HA ILE 54 -4.902 8.400 -17.317 385 HB ILE 54 HB ILE 54 -2.587 8.118 -18.287 386 1HG1 ILE 54 1HG1 ILE 54 -2.310 5.677 -19.224 387 2HG1 ILE 54 2HG1 ILE 54 -3.991 5.873 -19.701 388 1HG2 ILE 54 1HG2 ILE 54 -3.217 7.192 -16.136 389 2HG2 ILE 54 2HG2 ILE 54 -2.118 6.098 -16.979 390 3HG2 ILE 54 3HG2 ILE 54 -3.848 5.744 -16.926 391 1HD1 ILE 54 1HD1 ILE 54 -3.398 7.801 -21.041 392 2HD1 ILE 54 2HD1 ILE 54 -2.458 6.385 -21.514 393 3HD1 ILE 54 3HD1 ILE 54 -1.714 7.651 -20.537 394 H ASP 55 H ASP 55 -4.239 10.414 -18.033 395 HA ASP 55 HA ASP 55 -5.472 11.256 -20.528 396 1HB ASP 55 1HB ASP 55 -5.459 12.467 -18.181 397 2HB ASP 55 2HB ASP 55 -3.900 13.073 -18.720 398 H VAL 56 H VAL 56 -4.220 12.606 -22.096 399 HA VAL 56 HA VAL 56 -1.369 11.846 -22.121 400 HB VAL 56 HB VAL 56 -3.190 11.627 -24.510 401 1HG1 VAL 56 1HG1 VAL 56 -1.281 10.574 -25.613 402 2HG1 VAL 56 2HG1 VAL 56 -0.299 10.861 -24.176 403 3HG1 VAL 56 3HG1 VAL 56 -0.913 12.225 -25.112 404 1HG2 VAL 56 1HG2 VAL 56 -1.958 9.436 -22.852 405 2HG2 VAL 56 2HG2 VAL 56 -2.901 9.210 -24.325 406 3HG2 VAL 56 3HG2 VAL 56 -3.665 9.873 -22.880 407 H VAL 57 H VAL 57 -0.061 13.518 -22.497 408 HA VAL 57 HA VAL 57 -1.172 16.035 -23.466 409 HB VAL 57 HB VAL 57 1.676 15.469 -22.635 410 1HG1 VAL 57 1HG1 VAL 57 0.115 18.043 -22.849 411 2HG1 VAL 57 2HG1 VAL 57 1.398 17.508 -23.936 412 3HG1 VAL 57 3HG1 VAL 57 1.770 17.897 -22.255 413 1HG2 VAL 57 1HG2 VAL 57 0.171 14.897 -20.805 414 2HG2 VAL 57 2HG2 VAL 57 -0.599 16.480 -20.937 415 3HG2 VAL 57 3HG2 VAL 57 1.088 16.358 -20.439 416 H PHE 58 H PHE 58 -1.443 15.942 -25.642 417 HA PHE 58 HA PHE 58 0.672 14.815 -27.303 418 1HB PHE 58 1HB PHE 58 -0.950 15.038 -29.155 419 2HB PHE 58 2HB PHE 58 -1.598 14.105 -27.813 420 HD1 PHE 58 HD1 PHE 58 -3.468 14.891 -26.537 421 HD2 PHE 58 HD2 PHE 58 -1.785 17.302 -29.616 422 HE1 PHE 58 HE1 PHE 58 -5.438 16.362 -26.461 423 HE2 PHE 58 HE2 PHE 58 -3.753 18.775 -29.542 424 HZ PHE 58 HZ PHE 58 -5.582 18.307 -27.962 425 H ASP 59 H ASP 59 1.412 16.010 -29.219 426 HA ASP 59 HA ASP 59 1.352 18.922 -28.776 427 1HB ASP 59 1HB ASP 59 3.615 18.063 -28.470 428 2HB ASP 59 2HB ASP 59 3.549 17.270 -30.033 429 H LYS 60 H LYS 60 1.284 20.248 -30.558 430 HA LYS 60 HA LYS 60 -0.486 19.570 -32.619 431 1HB LYS 60 1HB LYS 60 1.603 21.744 -32.787 432 2HB LYS 60 2HB LYS 60 0.000 21.732 -33.502 433 1HG LYS 60 1HG LYS 60 -1.041 22.135 -31.430 434 2HG LYS 60 2HG LYS 60 0.427 21.761 -30.528 435 1HD LYS 60 1HD LYS 60 -0.040 24.136 -32.325 436 2HD LYS 60 2HD LYS 60 0.098 24.150 -30.568 437 1HE LYS 60 1HE LYS 60 2.273 23.404 -32.523 438 2HE LYS 60 2HE LYS 60 2.161 24.917 -31.625 439 1HZ LYS 60 1HZ LYS 60 3.691 23.557 -30.493 440 2HZ LYS 60 2HZ LYS 60 2.677 22.203 -30.542 441 3HZ LYS 60 3HZ LYS 60 2.276 23.524 -29.558 442 H GLU 61 H GLU 61 3.019 19.817 -32.516 443 HA GLU 61 HA GLU 61 3.296 19.255 -35.333 444 1HB GLU 61 1HB GLU 61 5.406 19.499 -33.181 445 2HB GLU 61 2HB GLU 61 5.681 19.515 -34.919 446 1HG GLU 61 1HG GLU 61 4.589 21.602 -35.163 447 2HG GLU 61 2HG GLU 61 3.980 21.550 -33.510 448 H ASP 62 H ASP 62 3.629 17.568 -32.271 449 HA ASP 62 HA ASP 62 4.889 15.245 -33.259 450 1HB ASP 62 1HB ASP 62 4.659 15.826 -30.837 451 2HB ASP 62 2HB ASP 62 2.949 15.418 -30.944 452 H LEU 63 H LEU 63 1.446 16.091 -32.881 453 HA LEU 63 HA LEU 63 0.381 13.664 -33.804 454 1HB LEU 63 1HB LEU 63 -0.739 16.454 -34.079 455 2HB LEU 63 2HB LEU 63 -1.638 14.985 -34.396 456 HG LEU 63 HG LEU 63 -0.595 15.947 -31.737 457 1HD1 LEU 63 1HD1 LEU 63 -2.636 17.028 -32.504 458 2HD1 LEU 63 2HD1 LEU 63 -2.968 15.961 -31.138 459 3HD1 LEU 63 3HD1 LEU 63 -3.384 15.452 -32.775 460 1HD2 LEU 63 1HD2 LEU 63 -0.297 13.536 -31.881 461 2HD2 LEU 63 2HD2 LEU 63 -1.972 13.349 -32.402 462 3HD2 LEU 63 3HD2 LEU 63 -1.614 13.940 -30.780 463 H ALA 64 H ALA 64 1.172 16.653 -35.554 464 HA ALA 64 HA ALA 64 0.426 15.855 -38.115 465 1HB ALA 64 1HB ALA 64 2.735 17.638 -37.345 466 2HB ALA 64 2HB ALA 64 1.057 18.144 -37.546 467 3HB ALA 64 3HB ALA 64 1.971 17.557 -38.934 468 H GLU 65 H GLU 65 3.491 15.354 -36.416 469 HA GLU 65 HA GLU 65 4.901 14.164 -38.539 470 1HB GLU 65 1HB GLU 65 5.873 15.037 -36.384 471 2HB GLU 65 2HB GLU 65 5.258 13.595 -35.590 472 1HG GLU 65 1HG GLU 65 7.556 13.245 -36.056 473 2HG GLU 65 2HG GLU 65 6.631 12.237 -37.170 474 H TYR 66 H TYR 66 2.917 12.774 -35.959 475 HA TYR 66 HA TYR 66 3.418 10.069 -36.681 476 1HB TYR 66 1HB TYR 66 2.725 10.697 -34.411 477 2HB TYR 66 2HB TYR 66 1.167 11.234 -35.033 478 HD1 TYR 66 HD1 TYR 66 3.315 8.264 -34.526 479 HD2 TYR 66 HD2 TYR 66 -0.591 9.690 -35.421 480 HE1 TYR 66 HE1 TYR 66 2.426 5.987 -34.248 481 HE2 TYR 66 HE2 TYR 66 -1.491 7.421 -35.142 482 HH TYR 66 HH TYR 66 0.164 4.952 -33.658 483 H TYR 67 H TYR 67 0.933 12.405 -37.511 484 HA TYR 67 HA TYR 67 -0.908 10.710 -38.727 485 1HB TYR 67 1HB TYR 67 -1.926 12.692 -38.856 486 2HB TYR 67 2HB TYR 67 -0.417 13.538 -38.576 487 HD1 TYR 67 HD1 TYR 67 -2.401 11.946 -41.323 488 HD2 TYR 67 HD2 TYR 67 0.441 14.911 -40.216 489 HE1 TYR 67 HE1 TYR 67 -2.486 12.873 -43.601 490 HE2 TYR 67 HE2 TYR 67 0.368 15.843 -42.484 491 HH TYR 67 HH TYR 67 -0.186 15.121 -44.744 492 H GLU 68 H GLU 68 1.979 12.248 -40.085 493 HA GLU 68 HA GLU 68 1.646 11.044 -42.661 494 1HB GLU 68 1HB GLU 68 4.029 12.369 -41.365 495 2HB GLU 68 2HB GLU 68 4.009 11.800 -43.033 496 1HG GLU 68 1HG GLU 68 2.063 13.305 -43.438 497 2HG GLU 68 2HG GLU 68 2.299 13.953 -41.815 498 H GLU 69 H GLU 69 3.221 10.134 -39.690 499 HA GLU 69 HA GLU 69 4.903 8.100 -40.632 500 1HB GLU 69 1HB GLU 69 4.995 9.134 -38.389 501 2HB GLU 69 2HB GLU 69 3.471 8.373 -37.984 502 1HG GLU 69 1HG GLU 69 5.356 7.191 -37.028 503 2HG GLU 69 2HG GLU 69 4.461 6.198 -38.174 504 H ALA 70 H ALA 70 1.717 7.886 -39.082 505 HA ALA 70 HA ALA 70 1.402 5.110 -39.694 506 1HB ALA 70 1HB ALA 70 -0.648 7.117 -38.763 507 2HB ALA 70 2HB ALA 70 0.373 6.118 -37.729 508 3HB ALA 70 3HB ALA 70 -0.839 5.363 -38.764 509 H GLY 71 H GLY 71 0.610 8.051 -41.345 510 1HA GLY 71 1HA GLY 71 -0.035 8.280 -43.569 511 2HA GLY 71 2HA GLY 71 -0.305 6.543 -43.644 512 H ILE 72 H ILE 72 -1.624 9.116 -41.586 513 HA ILE 72 HA ILE 72 -4.268 7.953 -41.802 514 HB ILE 72 HB ILE 72 -3.646 10.545 -40.398 515 1HG1 ILE 72 1HG1 ILE 72 -3.158 7.758 -39.311 516 2HG1 ILE 72 2HG1 ILE 72 -1.907 8.921 -39.733 517 1HG2 ILE 72 1HG2 ILE 72 -5.399 9.793 -38.871 518 2HG2 ILE 72 2HG2 ILE 72 -5.555 8.291 -39.779 519 3HG2 ILE 72 3HG2 ILE 72 -5.985 9.826 -40.532 520 1HD1 ILE 72 1HD1 ILE 72 -2.677 10.413 -37.979 521 2HD1 ILE 72 2HD1 ILE 72 -2.287 8.820 -37.330 522 3HD1 ILE 72 3HD1 ILE 72 -3.971 9.284 -37.572 523 H HIS 73 H HIS 73 -6.008 10.009 -41.872 524 HA HIS 73 HA HIS 73 -5.883 10.776 -44.634 525 1HB HIS 73 1HB HIS 73 -7.920 11.477 -42.505 526 2HB HIS 73 2HB HIS 73 -8.103 11.774 -44.232 527 HD1 HIS 73 HD1 HIS 73 -8.839 9.335 -41.681 528 HD2 HIS 73 HD2 HIS 73 -8.055 9.232 -45.764 529 HE1 HIS 73 HE1 HIS 73 -9.623 7.079 -42.469 530 HE2 HIS 73 HE2 HIS 73 -8.874 6.949 -44.870 531 HA PRO 74 HA PRO 74 -3.720 14.554 -44.015 532 1HB PRO 74 1HB PRO 74 -4.344 15.729 -46.402 533 2HB PRO 74 2HB PRO 74 -3.125 14.466 -46.215 534 1HG PRO 74 1HG PRO 74 -5.959 14.242 -47.146 535 2HG PRO 74 2HG PRO 74 -4.503 13.452 -47.781 536 1HD PRO 74 1HD PRO 74 -6.246 12.173 -46.171 537 2HD PRO 74 2HD PRO 74 -4.503 11.842 -46.129 538 HA PRO 75 HA PRO 75 -7.114 17.268 -42.824 539 1HB PRO 75 1HB PRO 75 -5.675 18.335 -40.713 540 2HB PRO 75 2HB PRO 75 -6.712 16.913 -40.611 541 1HG PRO 75 1HG PRO 75 -3.860 17.039 -40.371 542 2HG PRO 75 2HG PRO 75 -4.904 15.615 -40.266 543 1HD PRO 75 1HD PRO 75 -3.275 16.585 -42.518 544 2HD PRO 75 2HD PRO 75 -3.909 14.958 -42.201 545 H GLU 76 H GLU 76 -7.282 19.621 -42.625 546 HA GLU 76 HA GLU 76 -5.514 21.001 -44.423 547 1HB GLU 76 1HB GLU 76 -6.900 22.999 -43.828 548 2HB GLU 76 2HB GLU 76 -7.830 21.643 -44.443 549 1HG GLU 76 1HG GLU 76 -7.508 21.960 -41.499 550 2HG GLU 76 2HG GLU 76 -8.634 23.008 -42.360 551 HA PRO 77 HA PRO 77 -2.400 22.542 -41.763 552 1HB PRO 77 1HB PRO 77 -2.497 25.275 -42.301 553 2HB PRO 77 2HB PRO 77 -1.582 24.071 -43.215 554 1HG PRO 77 1HG PRO 77 -4.249 25.274 -43.800 555 2HG PRO 77 2HG PRO 77 -2.948 24.826 -44.918 556 1HD PRO 77 1HD PRO 77 -5.138 23.311 -44.649 557 2HD PRO 77 2HD PRO 77 -3.537 22.581 -44.899 558 H ILE 78 H ILE 78 -2.169 23.228 -39.718 559 HA ILE 78 HA ILE 78 -4.610 24.016 -38.347 560 HB ILE 78 HB ILE 78 -3.358 23.474 -36.270 561 1HG1 ILE 78 1HG1 ILE 78 -1.190 22.544 -38.174 562 2HG1 ILE 78 2HG1 ILE 78 -1.089 23.982 -37.162 563 1HG2 ILE 78 1HG2 ILE 78 -4.744 21.799 -37.363 564 2HG2 ILE 78 2HG2 ILE 78 -3.328 21.048 -36.627 565 3HG2 ILE 78 3HG2 ILE 78 -3.382 21.309 -38.371 566 1HD1 ILE 78 1HD1 ILE 78 -1.230 22.568 -35.167 567 2HD1 ILE 78 2HD1 ILE 78 0.149 22.143 -36.182 568 3HD1 ILE 78 3HD1 ILE 78 -1.302 21.138 -36.195 569 H ALA 79 H ALA 79 -4.661 25.680 -36.776 570 HA ALA 79 HA ALA 79 -3.106 27.996 -37.570 571 1HB ALA 79 1HB ALA 79 -5.501 28.236 -37.211 572 2HB ALA 79 2HB ALA 79 -4.598 29.237 -36.076 573 3HB ALA 79 3HB ALA 79 -5.316 27.721 -35.535 574 H ALA 80 H ALA 80 -1.075 27.187 -36.843 575 HA ALA 80 HA ALA 80 -0.541 27.923 -34.073 576 1HB ALA 80 1HB ALA 80 0.233 25.227 -35.192 577 2HB ALA 80 2HB ALA 80 -0.975 25.523 -33.941 578 3HB ALA 80 3HB ALA 80 0.725 25.873 -33.626 579 H ALA 81 H ALA 81 0.027 29.043 -36.690 580 HA ALA 81 HA ALA 81 2.887 28.553 -37.057 581 1HB ALA 81 1HB ALA 81 2.649 29.806 -39.138 582 2HB ALA 81 2HB ALA 81 0.965 30.150 -38.747 583 3HB ALA 81 3HB ALA 81 1.481 28.489 -39.048 584 H ALA 82 H ALA 82 0.888 30.626 -35.387 585 HA ALA 82 HA ALA 82 3.065 32.555 -35.052 586 1HB ALA 82 1HB ALA 82 0.211 33.390 -35.540 587 2HB ALA 82 2HB ALA 82 1.503 33.489 -36.734 588 3HB ALA 82 3HB ALA 82 1.590 34.455 -35.262 Start of MODEL 4 1 1H MET 1 1H MET 1 -12.283 5.873 -11.391 2 HA MET 1 HA MET 1 -13.950 5.830 -13.804 3 1HB MET 1 1HB MET 1 -15.507 7.254 -12.529 4 2HB MET 1 2HB MET 1 -15.179 5.732 -11.712 5 1HG MET 1 1HG MET 1 -13.638 6.847 -10.207 6 2HG MET 1 2HG MET 1 -13.896 8.374 -11.048 7 1HE MET 1 1HE MET 1 -15.571 5.574 -8.841 8 2HE MET 1 2HE MET 1 -16.629 5.659 -10.248 9 3HE MET 1 3HE MET 1 -17.210 6.202 -8.673 10 H SER 2 H SER 2 -11.241 7.362 -12.780 11 HA SER 2 HA SER 2 -11.754 9.647 -14.508 12 1HB SER 2 1HB SER 2 -10.725 9.935 -11.674 13 2HB SER 2 2HB SER 2 -10.871 11.239 -12.852 14 HG SER 2 HG SER 2 -13.223 10.244 -12.836 15 H THR 3 H THR 3 -9.606 10.991 -14.629 16 HA THR 3 HA THR 3 -7.478 9.106 -15.219 17 HB THR 3 HB THR 3 -6.387 11.251 -16.149 18 HG1 THR 3 HG1 THR 3 -7.503 12.999 -15.699 19 1HG2 THR 3 1HG2 THR 3 -7.727 11.105 -18.203 20 2HG2 THR 3 2HG2 THR 3 -8.968 10.214 -17.322 21 3HG2 THR 3 3HG2 THR 3 -7.367 9.508 -17.544 22 H TYR 4 H TYR 4 -6.307 8.574 -13.495 23 HA TYR 4 HA TYR 4 -5.721 10.601 -11.476 24 1HB TYR 4 1HB TYR 4 -5.281 7.609 -11.445 25 2HB TYR 4 2HB TYR 4 -4.913 8.695 -10.107 26 HD1 TYR 4 HD1 TYR 4 -7.578 7.081 -12.026 27 HD2 TYR 4 HD2 TYR 4 -6.691 9.669 -8.767 28 HE1 TYR 4 HE1 TYR 4 -9.894 6.861 -11.231 29 HE2 TYR 4 HE2 TYR 4 -9.005 9.459 -7.960 30 HH TYR 4 HH TYR 4 -11.212 8.889 -8.799 31 H ASP 5 H ASP 5 -4.299 9.157 -14.159 32 HA ASP 5 HA ASP 5 -1.711 10.320 -13.396 33 1HB ASP 5 1HB ASP 5 -2.282 7.709 -14.757 34 2HB ASP 5 2HB ASP 5 -0.808 8.585 -15.160 35 H GLU 6 H GLU 6 -0.480 11.183 -15.181 36 HA GLU 6 HA GLU 6 -1.912 11.764 -17.640 37 1HB GLU 6 1HB GLU 6 -2.778 13.454 -16.097 38 2HB GLU 6 2HB GLU 6 -1.144 13.910 -15.649 39 1HG GLU 6 1HG GLU 6 -0.748 14.671 -17.948 40 2HG GLU 6 2HG GLU 6 -2.416 14.269 -18.350 41 H ILE 7 H ILE 7 -0.392 11.484 -19.193 42 HA ILE 7 HA ILE 7 2.394 12.218 -18.491 43 HB ILE 7 HB ILE 7 1.936 9.861 -20.272 44 1HG1 ILE 7 1HG1 ILE 7 2.409 8.579 -17.956 45 2HG1 ILE 7 2HG1 ILE 7 1.440 9.918 -17.347 46 1HG2 ILE 7 1HG2 ILE 7 4.094 9.164 -19.366 47 2HG2 ILE 7 2HG2 ILE 7 4.104 10.574 -18.307 48 3HG2 ILE 7 3HG2 ILE 7 4.170 10.784 -20.058 49 1HD1 ILE 7 1HD1 ILE 7 0.058 7.988 -17.835 50 2HD1 ILE 7 2HD1 ILE 7 0.626 7.988 -19.506 51 3HD1 ILE 7 3HD1 ILE 7 -0.344 9.334 -18.904 52 H GLU 8 H GLU 8 3.787 12.555 -20.379 53 HA GLU 8 HA GLU 8 2.418 13.936 -22.491 54 1HB GLU 8 1HB GLU 8 5.350 13.292 -22.132 55 2HB GLU 8 2HB GLU 8 4.695 14.365 -23.360 56 1HG GLU 8 1HG GLU 8 3.821 15.821 -21.576 57 2HG GLU 8 2HG GLU 8 4.580 14.769 -20.380 58 H ILE 9 H ILE 9 2.436 13.418 -24.674 59 HA ILE 9 HA ILE 9 1.909 10.776 -25.345 60 HB ILE 9 HB ILE 9 1.084 12.694 -26.623 61 1HG1 ILE 9 1HG1 ILE 9 2.762 10.890 -28.373 62 2HG1 ILE 9 2HG1 ILE 9 1.228 10.423 -27.648 63 1HG2 ILE 9 1HG2 ILE 9 3.040 14.120 -26.574 64 2HG2 ILE 9 2HG2 ILE 9 2.551 13.836 -28.244 65 3HG2 ILE 9 3HG2 ILE 9 3.934 12.973 -27.572 66 1HD1 ILE 9 1HD1 ILE 9 0.946 11.082 -29.976 67 2HD1 ILE 9 2HD1 ILE 9 1.628 12.668 -29.615 68 3HD1 ILE 9 3HD1 ILE 9 0.091 12.185 -28.896 69 H GLU 10 H GLU 10 4.921 12.505 -25.307 70 HA GLU 10 HA GLU 10 6.440 10.885 -27.026 71 1HB GLU 10 1HB GLU 10 7.338 12.514 -24.649 72 2HB GLU 10 2HB GLU 10 8.399 11.863 -25.888 73 1HG GLU 10 1HG GLU 10 7.264 13.245 -27.567 74 2HG GLU 10 2HG GLU 10 6.241 13.921 -26.298 75 H ASP 11 H ASP 11 5.434 10.414 -23.722 76 HA ASP 11 HA ASP 11 7.526 8.537 -23.085 77 1HB ASP 11 1HB ASP 11 6.406 9.971 -21.364 78 2HB ASP 11 2HB ASP 11 4.939 9.027 -21.594 79 H MET 12 H MET 12 4.258 8.372 -24.294 80 HA MET 12 HA MET 12 3.883 5.582 -23.883 81 1HB MET 12 1HB MET 12 2.579 7.463 -25.851 82 2HB MET 12 2HB MET 12 2.052 5.817 -25.539 83 1HG MET 12 1HG MET 12 1.622 6.422 -23.193 84 2HG MET 12 2HG MET 12 2.081 8.084 -23.563 85 1HE MET 12 1HE MET 12 -1.597 5.963 -25.376 86 2HE MET 12 2HE MET 12 -0.502 5.207 -24.217 87 3HE MET 12 3HE MET 12 0.057 5.575 -25.848 88 H THR 13 H THR 13 3.473 4.110 -25.846 89 HA THR 13 HA THR 13 5.818 4.324 -27.603 90 HB THR 13 HB THR 13 4.227 1.841 -26.940 91 HG1 THR 13 HG1 THR 13 6.077 3.214 -25.494 92 1HG2 THR 13 1HG2 THR 13 5.454 1.662 -29.032 93 2HG2 THR 13 2HG2 THR 13 6.241 0.677 -27.797 94 3HG2 THR 13 3HG2 THR 13 6.924 2.240 -28.248 95 H PHE 14 H PHE 14 5.474 4.782 -29.659 96 HA PHE 14 HA PHE 14 2.813 4.975 -30.706 97 1HB PHE 14 1HB PHE 14 3.846 5.842 -32.722 98 2HB PHE 14 2HB PHE 14 4.600 6.587 -31.319 99 HD1 PHE 14 HD1 PHE 14 6.885 5.875 -30.631 100 HD2 PHE 14 HD2 PHE 14 5.098 4.538 -34.258 101 HE1 PHE 14 HE1 PHE 14 9.099 5.211 -31.477 102 HE2 PHE 14 HE2 PHE 14 7.308 3.870 -35.105 103 HZ PHE 14 HZ PHE 14 9.312 4.206 -33.716 104 H GLU 15 H GLU 15 1.821 3.741 -32.271 105 HA GLU 15 HA GLU 15 3.272 1.435 -33.304 106 1HB GLU 15 1HB GLU 15 2.115 0.662 -31.272 107 2HB GLU 15 2HB GLU 15 0.588 1.212 -31.948 108 1HG GLU 15 1HG GLU 15 0.501 -0.487 -33.492 109 2HG GLU 15 2HG GLU 15 2.246 -0.743 -33.471 110 HA PRO 16 HA PRO 16 1.080 3.474 -36.698 111 1HB PRO 16 1HB PRO 16 2.770 2.463 -38.610 112 2HB PRO 16 2HB PRO 16 3.039 3.975 -37.740 113 1HG PRO 16 1HG PRO 16 4.257 1.296 -37.312 114 2HG PRO 16 2HG PRO 16 4.977 2.904 -37.124 115 1HD PRO 16 1HD PRO 16 4.141 1.353 -35.036 116 2HD PRO 16 2HD PRO 16 4.201 3.128 -34.980 117 H GLU 17 H GLU 17 1.888 0.148 -36.095 118 HA GLU 17 HA GLU 17 0.520 -1.083 -38.211 119 1HB GLU 17 1HB GLU 17 0.846 -2.075 -35.368 120 2HB GLU 17 2HB GLU 17 0.363 -3.059 -36.740 121 1HG GLU 17 1HG GLU 17 2.571 -3.578 -36.629 122 2HG GLU 17 2HG GLU 17 2.632 -2.211 -37.738 123 H ASN 18 H ASN 18 -0.589 0.235 -35.174 124 HA ASN 18 HA ASN 18 -3.356 -0.444 -35.913 125 1HB ASN 18 1HB ASN 18 -2.050 -0.028 -33.237 126 2HB ASN 18 2HB ASN 18 -3.796 0.099 -33.430 127 1HD2 ASN 18 1HD2 ASN 18 -2.210 -1.808 -31.901 128 2HD2 ASN 18 2HD2 ASN 18 -2.672 -3.372 -32.478 129 H GLN 19 H GLN 19 -1.310 1.952 -36.262 130 HA GLN 19 HA GLN 19 -1.412 4.183 -36.624 131 1HB GLN 19 1HB GLN 19 -4.363 3.578 -36.810 132 2HB GLN 19 2HB GLN 19 -3.677 5.155 -37.159 133 1HG GLN 19 1HG GLN 19 -3.892 4.240 -39.254 134 2HG GLN 19 2HG GLN 19 -2.214 3.869 -38.866 135 1HE2 GLN 19 1HE2 GLN 19 -1.582 1.767 -38.692 136 2HE2 GLN 19 2HE2 GLN 19 -2.627 0.425 -39.005 137 H MET 20 H MET 20 -1.384 3.330 -33.841 138 HA MET 20 HA MET 20 -2.496 5.726 -32.638 139 1HB MET 20 1HB MET 20 -3.864 4.583 -30.998 140 2HB MET 20 2HB MET 20 -4.391 4.131 -32.614 141 1HG MET 20 1HG MET 20 -3.150 2.024 -32.419 142 2HG MET 20 2HG MET 20 -2.653 2.479 -30.789 143 1HE MET 20 1HE MET 20 -3.568 0.227 -29.801 144 2HE MET 20 2HE MET 20 -4.043 -0.283 -31.422 145 3HE MET 20 3HE MET 20 -5.194 -0.389 -30.089 146 H PHE 21 H PHE 21 -1.904 5.938 -30.350 147 HA PHE 21 HA PHE 21 0.724 4.784 -29.851 148 1HB PHE 21 1HB PHE 21 -0.818 7.044 -28.580 149 2HB PHE 21 2HB PHE 21 0.636 6.387 -27.840 150 HD1 PHE 21 HD1 PHE 21 -0.669 8.109 -30.836 151 HD2 PHE 21 HD2 PHE 21 2.772 6.985 -28.606 152 HE1 PHE 21 HE1 PHE 21 0.712 9.602 -32.220 153 HE2 PHE 21 HE2 PHE 21 4.160 8.474 -29.985 154 HZ PHE 21 HZ PHE 21 3.132 9.787 -31.796 155 H THR 22 H THR 22 1.163 3.405 -28.208 156 HA THR 22 HA THR 22 -1.066 2.670 -26.443 157 HB THR 22 HB THR 22 -0.190 0.292 -26.544 158 HG1 THR 22 HG1 THR 22 1.503 1.511 -28.331 159 1HG2 THR 22 1HG2 THR 22 -2.273 0.947 -27.631 160 2HG2 THR 22 2HG2 THR 22 -1.409 -0.236 -28.613 161 3HG2 THR 22 3HG2 THR 22 -1.381 1.470 -29.059 162 H TYR 23 H TYR 23 -0.524 2.159 -24.343 163 HA TYR 23 HA TYR 23 2.300 2.578 -23.646 164 1HB TYR 23 1HB TYR 23 0.466 4.224 -22.806 165 2HB TYR 23 2HB TYR 23 0.033 2.926 -21.699 166 HD1 TYR 23 HD1 TYR 23 3.155 4.591 -22.888 167 HD2 TYR 23 HD2 TYR 23 0.930 3.115 -19.573 168 HE1 TYR 23 HE1 TYR 23 4.932 5.345 -21.371 169 HE2 TYR 23 HE2 TYR 23 2.707 3.865 -18.043 170 HH TYR 23 HH TYR 23 5.261 5.938 -19.089 171 HA PRO 24 HA PRO 24 2.236 -1.784 -22.882 172 1HB PRO 24 1HB PRO 24 4.610 -1.070 -21.237 173 2HB PRO 24 2HB PRO 24 4.445 -2.279 -22.515 174 1HG PRO 24 1HG PRO 24 5.716 0.039 -22.937 175 2HG PRO 24 2HG PRO 24 4.744 -0.736 -24.199 176 1HD PRO 24 1HD PRO 24 4.120 1.651 -22.537 177 2HD PRO 24 2HD PRO 24 3.640 1.273 -24.199 178 H CYS 25 H CYS 25 0.778 -2.532 -21.553 179 HA CYS 25 HA CYS 25 1.231 -2.311 -18.674 180 1HB CYS 25 1HB CYS 25 -0.584 -0.794 -19.054 181 2HB CYS 25 2HB CYS 25 -1.379 -1.915 -20.149 182 HA PRO 26 HA PRO 26 0.616 -6.698 -19.304 183 1HB PRO 26 1HB PRO 26 1.404 -7.145 -16.588 184 2HB PRO 26 2HB PRO 26 2.349 -7.425 -18.050 185 1HG PRO 26 1HG PRO 26 2.913 -5.505 -16.142 186 2HG PRO 26 2HG PRO 26 3.492 -5.475 -17.816 187 1HD PRO 26 1HD PRO 26 1.220 -3.996 -16.566 188 2HD PRO 26 2HD PRO 26 2.360 -3.466 -17.822 189 H CYS 27 H CYS 27 -1.371 -7.431 -19.248 190 HA CYS 27 HA CYS 27 -2.842 -8.013 -16.926 191 1HB CYS 27 1HB CYS 27 -4.687 -6.428 -17.130 192 2HB CYS 27 2HB CYS 27 -3.184 -5.533 -16.924 193 H GLY 28 H GLY 28 -2.904 -7.119 -20.285 194 1HA GLY 28 1HA GLY 28 -3.467 -9.537 -21.425 195 2HA GLY 28 2HA GLY 28 -5.047 -8.848 -21.053 196 H ASP 29 H ASP 29 -4.073 -6.109 -21.362 197 HA ASP 29 HA ASP 29 -3.301 -5.956 -24.173 198 1HB ASP 29 1HB ASP 29 -5.898 -5.874 -23.800 199 2HB ASP 29 2HB ASP 29 -5.573 -4.231 -23.248 200 H ARG 30 H ARG 30 -3.068 -3.430 -24.686 201 HA ARG 30 HA ARG 30 -1.728 -2.228 -22.352 202 1HB ARG 30 1HB ARG 30 -0.126 -1.217 -23.997 203 2HB ARG 30 2HB ARG 30 -0.012 -2.963 -23.837 204 1HG ARG 30 1HG ARG 30 -1.430 -3.153 -25.894 205 2HG ARG 30 2HG ARG 30 -1.260 -1.407 -26.087 206 1HD ARG 30 1HD ARG 30 1.148 -1.629 -26.225 207 2HD ARG 30 2HD ARG 30 1.027 -3.362 -25.931 208 HE ARG 30 HE ARG 30 0.147 -1.971 -28.372 209 1HH1 ARG 30 1HH1 ARG 30 1.040 -4.895 -26.676 210 2HH1 ARG 30 2HH1 ARG 30 1.056 -5.886 -28.101 211 1HH2 ARG 30 1HH2 ARG 30 0.185 -3.267 -30.274 212 2HH2 ARG 30 2HH2 ARG 30 0.586 -4.956 -30.148 213 H PHE 31 H PHE 31 -1.886 0.006 -22.106 214 HA PHE 31 HA PHE 31 -4.270 1.239 -22.560 215 1HB PHE 31 1HB PHE 31 -1.541 2.511 -22.316 216 2HB PHE 31 2HB PHE 31 -3.035 3.436 -22.313 217 HD1 PHE 31 HD1 PHE 31 -4.551 3.343 -20.428 218 HD2 PHE 31 HD2 PHE 31 -0.895 1.168 -20.425 219 HE1 PHE 31 HE1 PHE 31 -4.740 3.036 -17.997 220 HE2 PHE 31 HE2 PHE 31 -1.081 0.853 -17.991 221 HZ PHE 31 HZ PHE 31 -3.005 1.787 -16.776 222 H GLN 32 H GLN 32 -5.333 1.835 -24.304 223 HA GLN 32 HA GLN 32 -3.782 2.473 -26.723 224 1HB GLN 32 1HB GLN 32 -5.538 1.532 -28.049 225 2HB GLN 32 2HB GLN 32 -5.152 0.362 -26.797 226 1HG GLN 32 1HG GLN 32 -7.108 1.250 -25.502 227 2HG GLN 32 2HG GLN 32 -7.530 2.195 -26.927 228 1HE2 GLN 32 1HE2 GLN 32 -6.241 -1.092 -26.821 229 2HE2 GLN 32 2HE2 GLN 32 -7.622 -1.837 -27.538 230 H ILE 33 H ILE 33 -4.167 4.354 -27.742 231 HA ILE 33 HA ILE 33 -6.552 5.885 -27.002 232 HB ILE 33 HB ILE 33 -4.679 6.796 -25.695 233 1HG1 ILE 33 1HG1 ILE 33 -5.488 8.670 -27.925 234 2HG1 ILE 33 2HG1 ILE 33 -6.501 8.259 -26.543 235 1HG2 ILE 33 1HG2 ILE 33 -2.814 7.933 -26.809 236 2HG2 ILE 33 2HG2 ILE 33 -3.387 7.332 -28.364 237 3HG2 ILE 33 3HG2 ILE 33 -2.825 6.201 -27.132 238 1HD1 ILE 33 1HD1 ILE 33 -3.830 9.638 -26.430 239 2HD1 ILE 33 2HD1 ILE 33 -4.844 9.239 -25.042 240 3HD1 ILE 33 3HD1 ILE 33 -5.407 10.402 -26.241 241 H TYR 34 H TYR 34 -7.591 6.752 -28.709 242 HA TYR 34 HA TYR 34 -6.625 5.958 -31.316 243 1HB TYR 34 1HB TYR 34 -9.212 7.346 -30.600 244 2HB TYR 34 2HB TYR 34 -8.838 6.528 -32.112 245 HD1 TYR 34 HD1 TYR 34 -8.109 3.975 -31.783 246 HD2 TYR 34 HD2 TYR 34 -10.488 6.213 -29.064 247 HE1 TYR 34 HE1 TYR 34 -9.035 1.882 -30.886 248 HE2 TYR 34 HE2 TYR 34 -11.424 4.130 -28.153 249 HH TYR 34 HH TYR 34 -10.095 1.130 -28.653 250 H LEU 35 H LEU 35 -5.677 7.240 -32.743 251 HA LEU 35 HA LEU 35 -4.897 9.873 -32.130 252 1HB LEU 35 1HB LEU 35 -4.222 7.965 -34.023 253 2HB LEU 35 2HB LEU 35 -4.952 9.237 -34.982 254 HG LEU 35 HG LEU 35 -2.537 9.508 -34.879 255 1HD1 LEU 35 1HD1 LEU 35 -4.001 11.609 -33.290 256 2HD1 LEU 35 2HD1 LEU 35 -3.874 11.527 -35.047 257 3HD1 LEU 35 3HD1 LEU 35 -2.434 11.818 -34.070 258 1HD2 LEU 35 1HD2 LEU 35 -2.108 8.410 -32.764 259 2HD2 LEU 35 2HD2 LEU 35 -2.941 9.701 -31.899 260 3HD2 LEU 35 3HD2 LEU 35 -1.435 10.041 -32.751 261 H ASP 36 H ASP 36 -7.558 8.514 -33.916 262 HA ASP 36 HA ASP 36 -8.521 10.767 -35.247 263 1HB ASP 36 1HB ASP 36 -9.345 8.514 -35.687 264 2HB ASP 36 2HB ASP 36 -10.054 8.436 -34.079 265 H ASP 37 H ASP 37 -8.913 9.756 -31.919 266 HA ASP 37 HA ASP 37 -10.846 11.849 -31.363 267 1HB ASP 37 1HB ASP 37 -9.554 9.750 -29.619 268 2HB ASP 37 2HB ASP 37 -10.675 10.959 -29.004 269 H MET 38 H MET 38 -7.432 11.230 -30.951 270 HA MET 38 HA MET 38 -6.909 13.214 -29.005 271 1HB MET 38 1HB MET 38 -5.056 12.147 -31.140 272 2HB MET 38 2HB MET 38 -4.564 13.041 -29.709 273 1HG MET 38 1HG MET 38 -5.502 11.217 -28.313 274 2HG MET 38 2HG MET 38 -5.827 10.314 -29.790 275 1HE MET 38 1HE MET 38 -1.645 11.348 -28.148 276 2HE MET 38 2HE MET 38 -3.164 11.636 -27.300 277 3HE MET 38 3HE MET 38 -2.763 12.585 -28.729 278 H PHE 39 H PHE 39 -6.911 13.279 -32.532 279 HA PHE 39 HA PHE 39 -5.900 15.890 -32.869 280 1HB PHE 39 1HB PHE 39 -6.073 14.166 -34.662 281 2HB PHE 39 2HB PHE 39 -7.818 14.385 -34.664 282 HD1 PHE 39 HD1 PHE 39 -4.622 16.192 -35.203 283 HD2 PHE 39 HD2 PHE 39 -8.797 16.006 -36.015 284 HE1 PHE 39 HE1 PHE 39 -4.377 17.993 -36.863 285 HE2 PHE 39 HE2 PHE 39 -8.559 17.806 -37.671 286 HZ PHE 39 HZ PHE 39 -6.347 18.803 -38.099 287 H GLU 40 H GLU 40 -9.004 14.691 -31.976 288 HA GLU 40 HA GLU 40 -10.485 17.062 -32.584 289 1HB GLU 40 1HB GLU 40 -11.080 14.570 -31.006 290 2HB GLU 40 2HB GLU 40 -12.219 15.901 -31.116 291 1HG GLU 40 1HG GLU 40 -11.110 14.375 -33.460 292 2HG GLU 40 2HG GLU 40 -12.690 14.106 -32.722 293 H GLY 41 H GLY 41 -8.314 16.269 -30.121 294 1HA GLY 41 1HA GLY 41 -7.661 18.016 -28.597 295 2HA GLY 41 2HA GLY 41 -9.339 18.528 -28.528 296 H GLU 42 H GLU 42 -9.618 15.324 -28.423 297 HA GLU 42 HA GLU 42 -9.761 15.280 -25.512 298 1HB GLU 42 1HB GLU 42 -11.615 14.375 -26.937 299 2HB GLU 42 2HB GLU 42 -10.513 13.129 -27.503 300 1HG GLU 42 1HG GLU 42 -11.883 12.180 -25.819 301 2HG GLU 42 2HG GLU 42 -10.263 12.370 -25.150 302 H LYS 43 H LYS 43 -8.309 14.180 -24.230 303 HA LYS 43 HA LYS 43 -6.382 12.455 -25.588 304 1HB LYS 43 1HB LYS 43 -4.459 13.554 -24.656 305 2HB LYS 43 2HB LYS 43 -5.415 14.733 -25.534 306 1HG LYS 43 1HG LYS 43 -5.548 14.411 -22.547 307 2HG LYS 43 2HG LYS 43 -4.424 15.500 -23.355 308 1HD LYS 43 1HD LYS 43 -6.113 16.908 -24.080 309 2HD LYS 43 2HD LYS 43 -7.352 15.658 -23.935 310 1HE LYS 43 1HE LYS 43 -7.456 17.441 -22.182 311 2HE LYS 43 2HE LYS 43 -7.329 15.800 -21.555 312 1HZ LYS 43 1HZ LYS 43 -5.872 17.338 -20.385 313 2HZ LYS 43 2HZ LYS 43 -5.068 17.711 -21.831 314 3HZ LYS 43 3HZ LYS 43 -4.976 16.140 -21.184 315 H VAL 44 H VAL 44 -6.940 10.629 -24.625 316 HA VAL 44 HA VAL 44 -5.994 10.136 -22.001 317 HB VAL 44 HB VAL 44 -8.019 11.017 -21.163 318 1HG1 VAL 44 1HG1 VAL 44 -9.273 11.195 -23.205 319 2HG1 VAL 44 2HG1 VAL 44 -10.238 10.356 -21.991 320 3HG1 VAL 44 3HG1 VAL 44 -9.462 9.443 -23.286 321 1HG2 VAL 44 1HG2 VAL 44 -9.196 9.069 -20.226 322 2HG2 VAL 44 2HG2 VAL 44 -7.444 8.892 -20.143 323 3HG2 VAL 44 3HG2 VAL 44 -8.360 8.025 -21.376 324 H ALA 45 H ALA 45 -5.299 8.110 -21.938 325 HA ALA 45 HA ALA 45 -6.127 6.324 -24.117 326 1HB ALA 45 1HB ALA 45 -4.078 5.075 -23.644 327 2HB ALA 45 2HB ALA 45 -3.720 6.165 -22.306 328 3HB ALA 45 3HB ALA 45 -3.731 6.775 -23.960 329 H VAL 46 H VAL 46 -6.973 4.333 -23.735 330 HA VAL 46 HA VAL 46 -7.590 3.718 -20.921 331 HB VAL 46 HB VAL 46 -9.614 4.365 -22.048 332 1HG1 VAL 46 1HG1 VAL 46 -10.485 3.125 -23.993 333 2HG1 VAL 46 2HG1 VAL 46 -8.946 2.268 -24.095 334 3HG1 VAL 46 3HG1 VAL 46 -9.001 4.012 -24.346 335 1HG2 VAL 46 1HG2 VAL 46 -10.978 2.352 -21.737 336 2HG2 VAL 46 2HG2 VAL 46 -9.813 2.564 -20.431 337 3HG2 VAL 46 3HG2 VAL 46 -9.509 1.376 -21.699 338 H CYS 47 H CYS 47 -7.091 1.725 -20.210 339 HA CYS 47 HA CYS 47 -6.046 -0.119 -22.211 340 1HB CYS 47 1HB CYS 47 -4.643 0.601 -20.183 341 2HB CYS 47 2HB CYS 47 -5.721 -0.414 -19.233 342 HA PRO 48 HA PRO 48 -9.785 -2.483 -21.477 343 1HB PRO 48 1HB PRO 48 -9.250 -4.338 -23.393 344 2HB PRO 48 2HB PRO 48 -9.932 -2.749 -23.759 345 1HG PRO 48 1HG PRO 48 -7.116 -3.695 -24.004 346 2HG PRO 48 2HG PRO 48 -8.057 -2.663 -25.096 347 1HD PRO 48 1HD PRO 48 -6.227 -1.686 -23.335 348 2HD PRO 48 2HD PRO 48 -7.655 -0.774 -23.865 349 H SER 49 H SER 49 -10.174 -4.561 -20.641 350 HA SER 49 HA SER 49 -9.777 -6.575 -19.684 351 1HB SER 49 1HB SER 49 -6.837 -6.041 -20.098 352 2HB SER 49 2HB SER 49 -7.539 -7.554 -19.530 353 HG SER 49 HG SER 49 -7.621 -6.383 -22.083 354 H CYS 50 H CYS 50 -7.265 -4.211 -18.638 355 HA CYS 50 HA CYS 50 -7.955 -4.878 -15.876 356 1HB CYS 50 1HB CYS 50 -6.041 -3.596 -15.199 357 2HB CYS 50 2HB CYS 50 -5.558 -4.604 -16.556 358 H SER 51 H SER 51 -8.389 -2.380 -18.231 359 HA SER 51 HA SER 51 -9.896 -0.714 -18.390 360 1HB SER 51 1HB SER 51 -11.522 -2.246 -17.423 361 2HB SER 51 2HB SER 51 -10.981 -1.833 -15.796 362 HG SER 51 HG SER 51 -11.688 0.306 -16.199 363 H LEU 52 H LEU 52 -7.843 0.537 -18.016 364 HA LEU 52 HA LEU 52 -8.391 2.418 -15.835 365 1HB LEU 52 1HB LEU 52 -6.474 1.036 -15.170 366 2HB LEU 52 2HB LEU 52 -5.650 1.454 -16.658 367 HG LEU 52 HG LEU 52 -5.512 3.797 -15.942 368 1HD1 LEU 52 1HD1 LEU 52 -7.549 3.892 -14.593 369 2HD1 LEU 52 2HD1 LEU 52 -6.148 4.441 -13.672 370 3HD1 LEU 52 3HD1 LEU 52 -6.810 2.829 -13.397 371 1HD2 LEU 52 1HD2 LEU 52 -4.517 1.868 -13.850 372 2HD2 LEU 52 2HD2 LEU 52 -3.901 3.493 -14.144 373 3HD2 LEU 52 3HD2 LEU 52 -3.707 2.241 -15.372 374 H MET 53 H MET 53 -7.877 4.573 -16.293 375 HA MET 53 HA MET 53 -7.228 5.193 -19.092 376 1HB MET 53 1HB MET 53 -9.438 6.412 -17.430 377 2HB MET 53 2HB MET 53 -8.931 7.008 -19.004 378 1HG MET 53 1HG MET 53 -9.740 5.112 -20.106 379 2HG MET 53 2HG MET 53 -9.864 4.191 -18.607 380 1HE MET 53 1HE MET 53 -11.700 4.612 -16.759 381 2HE MET 53 2HE MET 53 -12.900 5.901 -16.839 382 3HE MET 53 3HE MET 53 -11.192 6.297 -16.641 383 H ILE 54 H ILE 54 -5.882 6.900 -19.382 384 HA ILE 54 HA ILE 54 -5.376 8.685 -17.120 385 HB ILE 54 HB ILE 54 -3.024 8.525 -17.171 386 1HG1 ILE 54 1HG1 ILE 54 -2.751 8.357 -19.624 387 2HG1 ILE 54 2HG1 ILE 54 -1.722 7.227 -18.754 388 1HG2 ILE 54 1HG2 ILE 54 -2.564 6.159 -16.666 389 2HG2 ILE 54 2HG2 ILE 54 -4.142 5.736 -17.335 390 3HG2 ILE 54 3HG2 ILE 54 -4.037 6.754 -15.900 391 1HD1 ILE 54 1HD1 ILE 54 -2.656 6.189 -20.715 392 2HD1 ILE 54 2HD1 ILE 54 -4.288 6.588 -20.181 393 3HD1 ILE 54 3HD1 ILE 54 -3.320 5.430 -19.267 394 H ASP 55 H ASP 55 -4.422 10.702 -17.720 395 HA ASP 55 HA ASP 55 -5.391 11.621 -20.294 396 1HB ASP 55 1HB ASP 55 -5.509 12.828 -18.015 397 2HB ASP 55 2HB ASP 55 -3.818 13.207 -18.264 398 H VAL 56 H VAL 56 -4.052 12.506 -21.949 399 HA VAL 56 HA VAL 56 -1.169 12.009 -21.637 400 HB VAL 56 HB VAL 56 -2.823 11.103 -23.985 401 1HG1 VAL 56 1HG1 VAL 56 -0.732 10.201 -24.888 402 2HG1 VAL 56 2HG1 VAL 56 0.151 10.924 -23.544 403 3HG1 VAL 56 3HG1 VAL 56 -0.662 11.956 -24.721 404 1HG2 VAL 56 1HG2 VAL 56 -2.098 8.853 -23.355 405 2HG2 VAL 56 2HG2 VAL 56 -3.028 9.620 -22.068 406 3HG2 VAL 56 3HG2 VAL 56 -1.271 9.521 -21.949 407 H VAL 57 H VAL 57 -0.142 13.831 -21.991 408 HA VAL 57 HA VAL 57 -1.315 16.049 -23.375 409 HB VAL 57 HB VAL 57 1.529 15.698 -22.412 410 1HG1 VAL 57 1HG1 VAL 57 -0.021 18.189 -23.109 411 2HG1 VAL 57 2HG1 VAL 57 1.306 17.495 -24.039 412 3HG1 VAL 57 3HG1 VAL 57 1.606 18.150 -22.428 413 1HG2 VAL 57 1HG2 VAL 57 0.819 16.944 -20.426 414 2HG2 VAL 57 2HG2 VAL 57 -0.065 15.427 -20.584 415 3HG2 VAL 57 3HG2 VAL 57 -0.840 16.949 -21.023 416 H PHE 58 H PHE 58 -1.505 16.002 -25.517 417 HA PHE 58 HA PHE 58 0.535 14.683 -27.150 418 1HB PHE 58 1HB PHE 58 -1.107 14.862 -28.981 419 2HB PHE 58 2HB PHE 58 -1.774 14.037 -27.579 420 HD1 PHE 58 HD1 PHE 58 -3.628 14.930 -26.385 421 HD2 PHE 58 HD2 PHE 58 -1.819 17.172 -29.522 422 HE1 PHE 58 HE1 PHE 58 -5.542 16.478 -26.383 423 HE2 PHE 58 HE2 PHE 58 -3.727 18.725 -29.519 424 HZ PHE 58 HZ PHE 58 -5.591 18.381 -27.952 425 H ASP 59 H ASP 59 1.177 15.726 -29.212 426 HA ASP 59 HA ASP 59 1.265 18.668 -29.002 427 1HB ASP 59 1HB ASP 59 3.497 17.445 -28.944 428 2HB ASP 59 2HB ASP 59 3.186 16.965 -30.597 429 H LYS 60 H LYS 60 0.821 19.871 -30.819 430 HA LYS 60 HA LYS 60 -1.057 18.825 -32.635 431 1HB LYS 60 1HB LYS 60 0.591 21.346 -32.723 432 2HB LYS 60 2HB LYS 60 -0.725 20.997 -33.833 433 1HG LYS 60 1HG LYS 60 -2.317 21.005 -32.038 434 2HG LYS 60 2HG LYS 60 -1.026 21.151 -30.842 435 1HD LYS 60 1HD LYS 60 -0.434 23.339 -31.721 436 2HD LYS 60 2HD LYS 60 -1.675 23.195 -32.968 437 1HE LYS 60 1HE LYS 60 -3.412 23.170 -31.290 438 2HE LYS 60 2HE LYS 60 -2.211 23.162 -30.001 439 1HZ LYS 60 1HZ LYS 60 -3.162 25.368 -30.373 440 2HZ LYS 60 2HZ LYS 60 -2.581 25.361 -31.968 441 3HZ LYS 60 3HZ LYS 60 -1.491 25.351 -30.667 442 H GLU 61 H GLU 61 2.421 19.351 -32.871 443 HA GLU 61 HA GLU 61 2.483 18.866 -35.714 444 1HB GLU 61 1HB GLU 61 4.665 19.134 -33.643 445 2HB GLU 61 2HB GLU 61 4.979 18.872 -35.353 446 1HG GLU 61 1HG GLU 61 3.970 20.975 -35.916 447 2HG GLU 61 2HG GLU 61 3.437 21.208 -34.251 448 H ASP 62 H ASP 62 3.221 17.067 -32.757 449 HA ASP 62 HA ASP 62 4.375 14.848 -34.088 450 1HB ASP 62 1HB ASP 62 3.222 15.195 -31.329 451 2HB ASP 62 2HB ASP 62 3.844 13.643 -31.889 452 H LEU 63 H LEU 63 1.060 15.668 -33.268 453 HA LEU 63 HA LEU 63 -0.045 13.123 -33.840 454 1HB LEU 63 1HB LEU 63 -1.270 15.876 -33.950 455 2HB LEU 63 2HB LEU 63 -2.179 14.399 -34.202 456 HG LEU 63 HG LEU 63 -0.805 15.277 -31.667 457 1HD1 LEU 63 1HD1 LEU 63 -3.695 14.850 -32.400 458 2HD1 LEU 63 2HD1 LEU 63 -2.904 16.387 -32.050 459 3HD1 LEU 63 3HD1 LEU 63 -3.104 15.187 -30.772 460 1HD2 LEU 63 1HD2 LEU 63 -0.510 12.884 -31.921 461 2HD2 LEU 63 2HD2 LEU 63 -2.228 12.686 -32.269 462 3HD2 LEU 63 3HD2 LEU 63 -1.707 13.218 -30.669 463 H ALA 64 H ALA 64 0.192 16.082 -35.826 464 HA ALA 64 HA ALA 64 -0.938 15.015 -38.153 465 1HB ALA 64 1HB ALA 64 1.132 17.196 -37.908 466 2HB ALA 64 2HB ALA 64 -0.616 17.404 -37.820 467 3HB ALA 64 3HB ALA 64 0.131 16.878 -39.327 468 H GLU 65 H GLU 65 2.456 15.217 -37.158 469 HA GLU 65 HA GLU 65 3.624 14.046 -39.415 470 1HB GLU 65 1HB GLU 65 4.810 15.209 -37.535 471 2HB GLU 65 2HB GLU 65 4.543 13.779 -36.550 472 1HG GLU 65 1HG GLU 65 5.805 12.470 -38.264 473 2HG GLU 65 2HG GLU 65 6.208 14.001 -39.039 474 H TYR 66 H TYR 66 2.278 12.638 -36.487 475 HA TYR 66 HA TYR 66 3.073 9.982 -36.972 476 1HB TYR 66 1HB TYR 66 2.341 10.884 -34.760 477 2HB TYR 66 2HB TYR 66 0.688 10.902 -35.364 478 HD1 TYR 66 HD1 TYR 66 3.578 8.595 -34.911 479 HD2 TYR 66 HD2 TYR 66 -0.652 9.040 -35.032 480 HE1 TYR 66 HE1 TYR 66 3.319 6.253 -34.213 481 HE2 TYR 66 HE2 TYR 66 -0.925 6.698 -34.335 482 HH TYR 66 HH TYR 66 0.287 4.641 -34.293 483 H TYR 67 H TYR 67 0.179 11.805 -37.880 484 HA TYR 67 HA TYR 67 -1.409 9.785 -38.900 485 1HB TYR 67 1HB TYR 67 -0.985 12.646 -39.606 486 2HB TYR 67 2HB TYR 67 -1.878 11.652 -40.741 487 HD1 TYR 67 HD1 TYR 67 -1.957 13.364 -37.546 488 HD2 TYR 67 HD2 TYR 67 -4.028 10.638 -40.068 489 HE1 TYR 67 HE1 TYR 67 -4.015 13.740 -36.256 490 HE2 TYR 67 HE2 TYR 67 -6.091 11.001 -38.784 491 HH TYR 67 HH TYR 67 -6.819 11.785 -36.622 492 H GLU 68 H GLU 68 1.245 11.520 -40.486 493 HA GLU 68 HA GLU 68 1.005 10.026 -42.908 494 1HB GLU 68 1HB GLU 68 3.212 11.823 -41.901 495 2HB GLU 68 2HB GLU 68 3.144 11.141 -43.522 496 1HG GLU 68 1HG GLU 68 0.921 12.300 -43.789 497 2HG GLU 68 2HG GLU 68 1.272 13.138 -42.280 498 H GLU 69 H GLU 69 2.769 9.612 -39.941 499 HA GLU 69 HA GLU 69 4.648 7.712 -40.974 500 1HB GLU 69 1HB GLU 69 3.811 8.454 -38.176 501 2HB GLU 69 2HB GLU 69 4.976 7.180 -38.502 502 1HG GLU 69 1HG GLU 69 5.243 10.078 -39.253 503 2HG GLU 69 2HG GLU 69 6.104 9.242 -37.959 504 H ALA 70 H ALA 70 1.585 7.496 -39.216 505 HA ALA 70 HA ALA 70 1.714 4.623 -39.056 506 1HB ALA 70 1HB ALA 70 -0.528 6.530 -38.415 507 2HB ALA 70 2HB ALA 70 0.666 5.897 -37.280 508 3HB ALA 70 3HB ALA 70 -0.502 4.810 -38.032 509 H GLY 71 H GLY 71 0.731 6.845 -41.409 510 1HA GLY 71 1HA GLY 71 0.051 6.358 -43.578 511 2HA GLY 71 2HA GLY 71 -0.187 4.683 -43.095 512 H ILE 72 H ILE 72 -1.552 7.579 -41.621 513 HA ILE 72 HA ILE 72 -4.228 6.460 -42.009 514 HB ILE 72 HB ILE 72 -3.798 9.009 -40.515 515 1HG1 ILE 72 1HG1 ILE 72 -3.061 6.293 -39.387 516 2HG1 ILE 72 2HG1 ILE 72 -1.925 7.581 -39.757 517 1HG2 ILE 72 1HG2 ILE 72 -6.030 8.033 -40.778 518 2HG2 ILE 72 2HG2 ILE 72 -5.538 8.062 -39.084 519 3HG2 ILE 72 3HG2 ILE 72 -5.473 6.553 -39.995 520 1HD1 ILE 72 1HD1 ILE 72 -4.105 7.702 -37.690 521 2HD1 ILE 72 2HD1 ILE 72 -2.962 8.993 -38.062 522 3HD1 ILE 72 3HD1 ILE 72 -2.384 7.472 -37.380 523 H HIS 73 H HIS 73 -5.913 8.419 -42.324 524 HA HIS 73 HA HIS 73 -5.340 9.511 -44.899 525 1HB HIS 73 1HB HIS 73 -7.631 10.037 -42.993 526 2HB HIS 73 2HB HIS 73 -7.537 10.676 -44.631 527 HD1 HIS 73 HD1 HIS 73 -8.780 7.866 -42.745 528 HD2 HIS 73 HD2 HIS 73 -7.446 8.493 -46.637 529 HE1 HIS 73 HE1 HIS 73 -9.650 5.920 -44.086 530 HE2 HIS 73 HE2 HIS 73 -8.706 6.241 -46.403 531 HA PRO 74 HA PRO 74 -3.082 13.150 -43.907 532 1HB PRO 74 1HB PRO 74 -4.331 14.805 -45.805 533 2HB PRO 74 2HB PRO 74 -2.877 13.838 -46.050 534 1HG PRO 74 1HG PRO 74 -5.702 13.233 -46.777 535 2HG PRO 74 2HG PRO 74 -4.204 12.815 -47.628 536 1HD PRO 74 1HD PRO 74 -5.562 10.983 -46.234 537 2HD PRO 74 2HD PRO 74 -3.783 10.995 -46.246 538 HA PRO 75 HA PRO 75 -6.073 15.061 -41.174 539 1HB PRO 75 1HB PRO 75 -4.281 16.409 -39.677 540 2HB PRO 75 2HB PRO 75 -4.507 14.662 -39.521 541 1HG PRO 75 1HG PRO 75 -2.398 16.172 -41.018 542 2HG PRO 75 2HG PRO 75 -2.226 14.750 -39.974 543 1HD PRO 75 1HD PRO 75 -2.293 14.596 -42.686 544 2HD PRO 75 2HD PRO 75 -2.889 13.300 -41.629 545 H GLU 76 H GLU 76 -6.698 17.259 -40.629 546 HA GLU 76 HA GLU 76 -6.387 19.087 -42.808 547 1HB GLU 76 1HB GLU 76 -7.623 19.483 -40.074 548 2HB GLU 76 2HB GLU 76 -7.770 20.598 -41.425 549 1HG GLU 76 1HG GLU 76 -8.955 18.896 -42.708 550 2HG GLU 76 2HG GLU 76 -8.789 17.768 -41.365 551 HA PRO 77 HA PRO 77 -2.559 20.894 -41.721 552 1HB PRO 77 1HB PRO 77 -3.160 23.502 -42.516 553 2HB PRO 77 2HB PRO 77 -2.471 22.230 -43.525 554 1HG PRO 77 1HG PRO 77 -5.294 23.153 -43.303 555 2HG PRO 77 2HG PRO 77 -4.410 22.559 -44.719 556 1HD PRO 77 1HD PRO 77 -6.210 21.038 -43.442 557 2HD PRO 77 2HD PRO 77 -4.733 20.338 -44.142 558 H ILE 78 H ILE 78 -1.643 21.873 -40.037 559 HA ILE 78 HA ILE 78 -3.453 23.043 -38.047 560 HB ILE 78 HB ILE 78 -1.711 22.493 -36.389 561 1HG1 ILE 78 1HG1 ILE 78 -0.326 21.103 -38.696 562 2HG1 ILE 78 2HG1 ILE 78 0.214 22.611 -37.963 563 1HG2 ILE 78 1HG2 ILE 78 -3.517 20.922 -36.785 564 2HG2 ILE 78 2HG2 ILE 78 -2.022 20.054 -36.433 565 3HG2 ILE 78 3HG2 ILE 78 -2.604 20.170 -38.094 566 1HD1 ILE 78 1HD1 ILE 78 0.533 21.438 -35.835 567 2HD1 ILE 78 2HD1 ILE 78 1.506 20.752 -37.134 568 3HD1 ILE 78 3HD1 ILE 78 0.038 19.930 -36.605 569 H ALA 79 H ALA 79 -2.383 24.669 -36.577 570 HA ALA 79 HA ALA 79 -1.098 26.687 -38.224 571 1HB ALA 79 1HB ALA 79 -2.968 27.325 -36.791 572 2HB ALA 79 2HB ALA 79 -1.494 28.192 -36.360 573 3HB ALA 79 3HB ALA 79 -2.046 26.841 -35.368 574 H ALA 80 H ALA 80 0.940 25.727 -38.498 575 HA ALA 80 HA ALA 80 2.628 25.665 -36.097 576 1HB ALA 80 1HB ALA 80 3.187 24.586 -38.861 577 2HB ALA 80 2HB ALA 80 2.678 23.632 -37.467 578 3HB ALA 80 3HB ALA 80 4.248 24.437 -37.459 579 H ALA 81 H ALA 81 3.319 27.687 -35.728 580 HA ALA 81 HA ALA 81 4.068 29.358 -38.020 581 1HB ALA 81 1HB ALA 81 3.633 30.148 -35.139 582 2HB ALA 81 2HB ALA 81 2.450 30.301 -36.439 583 3HB ALA 81 3HB ALA 81 3.940 31.243 -36.488 584 H ALA 82 H ALA 82 5.394 27.663 -35.325 585 HA ALA 82 HA ALA 82 8.038 28.803 -35.943 586 1HB ALA 82 1HB ALA 82 7.028 27.946 -33.234 587 2HB ALA 82 2HB ALA 82 7.276 29.609 -33.769 588 3HB ALA 82 3HB ALA 82 8.654 28.522 -33.595 Start of MODEL 5 1 1H MET 1 1H MET 1 -14.765 7.170 -12.249 2 HA MET 1 HA MET 1 -13.110 6.417 -14.433 3 1HB MET 1 1HB MET 1 -15.687 7.996 -14.452 4 2HB MET 1 2HB MET 1 -14.925 7.266 -15.856 5 1HG MET 1 1HG MET 1 -16.666 5.823 -15.246 6 2HG MET 1 2HG MET 1 -15.187 5.045 -14.693 7 1HE MET 1 1HE MET 1 -17.988 4.087 -13.683 8 2HE MET 1 2HE MET 1 -17.718 3.939 -11.946 9 3HE MET 1 3HE MET 1 -16.471 3.415 -13.078 10 H SER 2 H SER 2 -11.283 7.777 -13.841 11 HA SER 2 HA SER 2 -11.339 10.270 -15.330 12 1HB SER 2 1HB SER 2 -10.457 10.135 -12.429 13 2HB SER 2 2HB SER 2 -10.204 11.513 -13.498 14 HG SER 2 HG SER 2 -12.471 11.700 -13.687 15 H THR 3 H THR 3 -9.000 11.183 -15.316 16 HA THR 3 HA THR 3 -7.234 9.052 -16.111 17 HB THR 3 HB THR 3 -5.675 11.061 -16.548 18 HG1 THR 3 HG1 THR 3 -7.125 13.028 -16.807 19 1HG2 THR 3 1HG2 THR 3 -6.865 11.613 -18.615 20 2HG2 THR 3 2HG2 THR 3 -8.338 10.892 -17.966 21 3HG2 THR 3 3HG2 THR 3 -6.930 9.879 -18.295 22 H TYR 4 H TYR 4 -5.842 8.064 -14.787 23 HA TYR 4 HA TYR 4 -5.224 9.357 -12.230 24 1HB TYR 4 1HB TYR 4 -5.257 6.499 -13.128 25 2HB TYR 4 2HB TYR 4 -4.301 6.967 -11.724 26 HD1 TYR 4 HD1 TYR 4 -7.630 6.303 -12.986 27 HD2 TYR 4 HD2 TYR 4 -5.424 7.997 -9.761 28 HE1 TYR 4 HE1 TYR 4 -9.638 6.206 -11.566 29 HE2 TYR 4 HE2 TYR 4 -7.420 7.902 -8.334 30 HH TYR 4 HH TYR 4 -9.878 7.858 -8.627 31 H ASP 5 H ASP 5 -3.873 9.379 -15.130 32 HA ASP 5 HA ASP 5 -1.302 10.067 -14.085 33 1HB ASP 5 1HB ASP 5 -1.382 7.452 -14.476 34 2HB ASP 5 2HB ASP 5 -1.154 7.908 -16.162 35 H GLU 6 H GLU 6 0.205 10.588 -16.090 36 HA GLU 6 HA GLU 6 -1.262 11.429 -18.435 37 1HB GLU 6 1HB GLU 6 -1.762 13.236 -16.817 38 2HB GLU 6 2HB GLU 6 -0.040 13.510 -16.610 39 1HG GLU 6 1HG GLU 6 0.150 14.144 -18.957 40 2HG GLU 6 2HG GLU 6 -1.574 13.860 -19.177 41 H ILE 7 H ILE 7 0.070 10.796 -19.985 42 HA ILE 7 HA ILE 7 2.980 11.174 -19.583 43 HB ILE 7 HB ILE 7 1.749 9.092 -21.395 44 1HG1 ILE 7 1HG1 ILE 7 2.745 7.565 -19.457 45 2HG1 ILE 7 2HG1 ILE 7 2.340 8.974 -18.481 46 1HG2 ILE 7 1HG2 ILE 7 4.529 9.425 -20.290 47 2HG2 ILE 7 2HG2 ILE 7 4.019 9.691 -21.958 48 3HG2 ILE 7 3HG2 ILE 7 3.979 8.067 -21.270 49 1HD1 ILE 7 1HD1 ILE 7 0.466 7.405 -20.221 50 2HD1 ILE 7 2HD1 ILE 7 0.040 8.862 -19.322 51 3HD1 ILE 7 3HD1 ILE 7 0.526 7.402 -18.456 52 H GLU 8 H GLU 8 4.206 11.851 -21.406 53 HA GLU 8 HA GLU 8 2.730 13.459 -23.280 54 1HB GLU 8 1HB GLU 8 5.686 12.849 -23.166 55 2HB GLU 8 2HB GLU 8 4.927 14.094 -24.153 56 1HG GLU 8 1HG GLU 8 4.184 15.250 -22.151 57 2HG GLU 8 2HG GLU 8 4.902 13.993 -21.143 58 H ILE 9 H ILE 9 2.725 13.248 -25.534 59 HA ILE 9 HA ILE 9 2.116 10.700 -26.474 60 HB ILE 9 HB ILE 9 1.232 12.764 -27.455 61 1HG1 ILE 9 1HG1 ILE 9 2.747 11.182 -29.537 62 2HG1 ILE 9 2HG1 ILE 9 1.288 10.608 -28.738 63 1HG2 ILE 9 1HG2 ILE 9 3.216 14.142 -27.371 64 2HG2 ILE 9 2HG2 ILE 9 2.587 14.088 -29.018 65 3HG2 ILE 9 3HG2 ILE 9 4.004 13.130 -28.581 66 1HD1 ILE 9 1HD1 ILE 9 0.038 12.486 -29.666 67 2HD1 ILE 9 2HD1 ILE 9 0.802 11.522 -30.933 68 3HD1 ILE 9 3HD1 ILE 9 1.505 13.068 -30.456 69 H GLU 10 H GLU 10 5.163 12.391 -26.445 70 HA GLU 10 HA GLU 10 6.499 10.814 -28.385 71 1HB GLU 10 1HB GLU 10 7.688 12.339 -26.060 72 2HB GLU 10 2HB GLU 10 8.556 11.763 -27.474 73 1HG GLU 10 1HG GLU 10 7.142 13.240 -28.877 74 2HG GLU 10 2HG GLU 10 6.426 13.882 -27.399 75 H ASP 11 H ASP 11 5.823 10.370 -24.991 76 HA ASP 11 HA ASP 11 7.800 8.265 -24.683 77 1HB ASP 11 1HB ASP 11 7.282 9.841 -22.827 78 2HB ASP 11 2HB ASP 11 5.657 9.169 -22.746 79 H MET 12 H MET 12 4.293 8.596 -24.907 80 HA MET 12 HA MET 12 3.397 6.033 -24.728 81 1HB MET 12 1HB MET 12 2.189 8.250 -25.376 82 2HB MET 12 2HB MET 12 2.549 7.771 -27.029 83 1HG MET 12 1HG MET 12 0.362 7.072 -26.492 84 2HG MET 12 2HG MET 12 1.396 5.642 -26.596 85 1HE MET 12 1HE MET 12 -1.460 6.517 -25.160 86 2HE MET 12 2HE MET 12 -1.489 5.405 -23.788 87 3HE MET 12 3HE MET 12 -1.019 4.828 -25.391 88 H THR 13 H THR 13 3.339 4.226 -26.043 89 HA THR 13 HA THR 13 5.424 4.084 -28.068 90 HB THR 13 HB THR 13 3.613 1.863 -27.112 91 HG1 THR 13 HG1 THR 13 5.909 3.021 -25.981 92 1HG2 THR 13 1HG2 THR 13 6.332 1.837 -28.425 93 2HG2 THR 13 2HG2 THR 13 4.806 1.414 -29.200 94 3HG2 THR 13 3HG2 THR 13 5.434 0.416 -27.888 95 H PHE 14 H PHE 14 4.878 4.735 -30.048 96 HA PHE 14 HA PHE 14 2.167 4.777 -30.942 97 1HB PHE 14 1HB PHE 14 3.133 5.594 -33.088 98 2HB PHE 14 2HB PHE 14 3.644 6.531 -31.691 99 HD1 PHE 14 HD1 PHE 14 4.693 4.388 -34.421 100 HD2 PHE 14 HD2 PHE 14 5.950 6.309 -30.833 101 HE1 PHE 14 HE1 PHE 14 7.044 4.071 -35.076 102 HE2 PHE 14 HE2 PHE 14 8.299 5.996 -31.483 103 HZ PHE 14 HZ PHE 14 8.850 4.877 -33.607 104 H GLU 15 H GLU 15 1.114 3.447 -32.283 105 HA GLU 15 HA GLU 15 2.570 1.087 -33.269 106 1HB GLU 15 1HB GLU 15 0.897 0.537 -31.541 107 2HB GLU 15 2HB GLU 15 -0.353 1.306 -32.507 108 1HG GLU 15 1HG GLU 15 -0.413 -1.122 -32.700 109 2HG GLU 15 2HG GLU 15 -0.068 -0.355 -34.248 110 HA PRO 16 HA PRO 16 1.485 3.488 -36.949 111 1HB PRO 16 1HB PRO 16 3.342 2.342 -38.567 112 2HB PRO 16 2HB PRO 16 3.723 3.641 -37.430 113 1HG PRO 16 1HG PRO 16 4.133 0.689 -37.148 114 2HG PRO 16 2HG PRO 16 5.217 2.020 -36.698 115 1HD PRO 16 1HD PRO 16 3.679 0.711 -34.888 116 2HD PRO 16 2HD PRO 16 4.104 2.425 -34.721 117 H GLU 17 H GLU 17 1.610 0.048 -36.498 118 HA GLU 17 HA GLU 17 0.526 -0.615 -39.063 119 1HB GLU 17 1HB GLU 17 0.615 -2.337 -36.583 120 2HB GLU 17 2HB GLU 17 0.432 -2.882 -38.245 121 1HG GLU 17 1HG GLU 17 2.869 -1.598 -37.034 122 2HG GLU 17 2HG GLU 17 2.676 -3.293 -37.476 123 H ASN 18 H ASN 18 -0.812 0.427 -36.074 124 HA ASN 18 HA ASN 18 -3.489 -0.381 -36.988 125 1HB ASN 18 1HB ASN 18 -2.514 -1.219 -34.717 126 2HB ASN 18 2HB ASN 18 -2.901 0.406 -34.155 127 1HD2 ASN 18 1HD2 ASN 18 -4.150 -2.573 -35.357 128 2HD2 ASN 18 2HD2 ASN 18 -5.802 -2.327 -34.888 129 H GLN 19 H GLN 19 -1.452 2.216 -36.713 130 HA GLN 19 HA GLN 19 -1.669 4.469 -36.879 131 1HB GLN 19 1HB GLN 19 -4.499 3.709 -37.600 132 2HB GLN 19 2HB GLN 19 -3.945 5.373 -37.586 133 1HG GLN 19 1HG GLN 19 -3.766 4.798 -39.808 134 2HG GLN 19 2HG GLN 19 -2.126 4.538 -39.222 135 1HE2 GLN 19 1HE2 GLN 19 -1.302 2.468 -39.155 136 2HE2 GLN 19 2HE2 GLN 19 -2.110 1.114 -39.875 137 H MET 20 H MET 20 -1.717 3.427 -34.314 138 HA MET 20 HA MET 20 -3.185 5.508 -32.918 139 1HB MET 20 1HB MET 20 -4.336 4.040 -31.388 140 2HB MET 20 2HB MET 20 -4.782 3.591 -33.026 141 1HG MET 20 1HG MET 20 -3.295 1.697 -32.960 142 2HG MET 20 2HG MET 20 -2.702 2.181 -31.373 143 1HE MET 20 1HE MET 20 -3.777 -0.735 -32.044 144 2HE MET 20 2HE MET 20 -4.760 -1.074 -30.618 145 3HE MET 20 3HE MET 20 -3.202 -0.267 -30.441 146 H PHE 21 H PHE 21 -2.681 5.296 -30.457 147 HA PHE 21 HA PHE 21 0.130 4.464 -30.181 148 1HB PHE 21 1HB PHE 21 -1.421 6.672 -28.845 149 2HB PHE 21 2HB PHE 21 0.050 6.031 -28.132 150 HD1 PHE 21 HD1 PHE 21 2.112 6.857 -28.765 151 HD2 PHE 21 HD2 PHE 21 -1.264 7.537 -31.265 152 HE1 PHE 21 HE1 PHE 21 3.461 8.356 -30.171 153 HE2 PHE 21 HE2 PHE 21 0.082 9.035 -32.677 154 HZ PHE 21 HZ PHE 21 2.448 9.442 -32.132 155 H THR 22 H THR 22 0.788 3.391 -28.319 156 HA THR 22 HA THR 22 -1.320 2.330 -26.579 157 HB THR 22 HB THR 22 -0.237 0.060 -26.709 158 HG1 THR 22 HG1 THR 22 1.398 1.461 -28.430 159 1HG2 THR 22 1HG2 THR 22 -2.320 0.522 -27.905 160 2HG2 THR 22 2HG2 THR 22 -1.297 -0.579 -28.829 161 3HG2 THR 22 3HG2 THR 22 -1.404 1.121 -29.289 162 H TYR 23 H TYR 23 -0.453 1.410 -24.567 163 HA TYR 23 HA TYR 23 2.345 2.068 -24.018 164 1HB TYR 23 1HB TYR 23 0.618 3.914 -23.285 165 2HB TYR 23 2HB TYR 23 0.296 2.802 -21.957 166 HD1 TYR 23 HD1 TYR 23 1.503 3.119 -20.009 167 HD2 TYR 23 HD2 TYR 23 3.222 4.327 -23.708 168 HE1 TYR 23 HE1 TYR 23 3.453 4.014 -18.805 169 HE2 TYR 23 HE2 TYR 23 5.174 5.223 -22.516 170 HH TYR 23 HH TYR 23 5.770 6.036 -20.309 171 HA PRO 24 HA PRO 24 2.172 -2.032 -22.444 172 1HB PRO 24 1HB PRO 24 4.382 -1.894 -20.800 173 2HB PRO 24 2HB PRO 24 4.439 -2.171 -22.542 174 1HG PRO 24 1HG PRO 24 4.841 0.365 -21.012 175 2HG PRO 24 2HG PRO 24 5.731 -0.250 -22.417 176 1HD PRO 24 1HD PRO 24 3.875 1.667 -22.669 177 2HD PRO 24 2HD PRO 24 4.084 0.410 -23.909 178 H CYS 25 H CYS 25 0.907 -2.836 -20.968 179 HA CYS 25 HA CYS 25 1.027 -1.917 -18.193 180 1HB CYS 25 1HB CYS 25 -0.844 -0.690 -19.091 181 2HB CYS 25 2HB CYS 25 -1.462 -2.120 -19.908 182 HA PRO 26 HA PRO 26 0.562 -6.348 -17.778 183 1HB PRO 26 1HB PRO 26 0.801 -6.335 -15.011 184 2HB PRO 26 2HB PRO 26 2.144 -6.399 -16.151 185 1HG PRO 26 1HG PRO 26 1.462 -4.273 -14.375 186 2HG PRO 26 2HG PRO 26 2.764 -4.307 -15.572 187 1HD PRO 26 1HD PRO 26 0.082 -3.064 -15.739 188 2HD PRO 26 2HD PRO 26 1.576 -2.655 -16.610 189 H CYS 27 H CYS 27 -1.353 -7.241 -17.990 190 HA CYS 27 HA CYS 27 -3.237 -7.605 -15.974 191 1HB CYS 27 1HB CYS 27 -5.089 -6.178 -16.702 192 2HB CYS 27 2HB CYS 27 -3.702 -5.180 -16.281 193 H GLY 28 H GLY 28 -2.835 -7.054 -19.414 194 1HA GLY 28 1HA GLY 28 -3.038 -9.536 -20.433 195 2HA GLY 28 2HA GLY 28 -4.725 -9.115 -20.153 196 H ASP 29 H ASP 29 -3.877 -6.227 -20.621 197 HA ASP 29 HA ASP 29 -3.429 -6.261 -23.515 198 1HB ASP 29 1HB ASP 29 -5.965 -6.139 -22.779 199 2HB ASP 29 2HB ASP 29 -5.573 -4.463 -22.411 200 H ARG 30 H ARG 30 -3.208 -3.827 -24.217 201 HA ARG 30 HA ARG 30 -1.814 -2.375 -22.081 202 1HB ARG 30 1HB ARG 30 -0.476 -1.435 -24.192 203 2HB ARG 30 2HB ARG 30 0.051 -2.834 -23.280 204 1HG ARG 30 1HG ARG 30 0.289 -3.513 -25.471 205 2HG ARG 30 2HG ARG 30 -1.267 -4.200 -25.019 206 1HD ARG 30 1HD ARG 30 -1.250 -1.498 -26.245 207 2HD ARG 30 2HD ARG 30 -0.901 -2.875 -27.289 208 HE ARG 30 HE ARG 30 -3.344 -2.821 -25.643 209 1HH1 ARG 30 1HH1 ARG 30 -1.782 -2.921 -28.771 210 2HH1 ARG 30 2HH1 ARG 30 -3.224 -3.363 -29.627 211 1HH2 ARG 30 1HH2 ARG 30 -5.230 -3.423 -26.740 212 2HH2 ARG 30 2HH2 ARG 30 -5.205 -3.615 -28.475 213 H PHE 31 H PHE 31 -1.869 -0.099 -22.180 214 HA PHE 31 HA PHE 31 -4.309 1.059 -22.623 215 1HB PHE 31 1HB PHE 31 -1.625 2.444 -22.830 216 2HB PHE 31 2HB PHE 31 -3.170 3.248 -22.592 217 HD1 PHE 31 HD1 PHE 31 -0.410 1.575 -21.026 218 HD2 PHE 31 HD2 PHE 31 -4.432 2.846 -20.466 219 HE1 PHE 31 HE1 PHE 31 -0.125 1.387 -18.592 220 HE2 PHE 31 HE2 PHE 31 -4.153 2.659 -18.030 221 HZ PHE 31 HZ PHE 31 -1.998 1.930 -17.090 222 H GLN 32 H GLN 32 -5.441 1.677 -24.359 223 HA GLN 32 HA GLN 32 -3.988 2.050 -26.883 224 1HB GLN 32 1HB GLN 32 -5.892 0.944 -28.045 225 2HB GLN 32 2HB GLN 32 -4.996 -0.125 -26.978 226 1HG GLN 32 1HG GLN 32 -6.739 0.171 -25.266 227 2HG GLN 32 2HG GLN 32 -7.657 1.152 -26.410 228 1HE2 GLN 32 1HE2 GLN 32 -6.482 -2.036 -25.662 229 2HE2 GLN 32 2HE2 GLN 32 -7.537 -2.887 -26.735 230 H ILE 33 H ILE 33 -4.615 3.714 -28.153 231 HA ILE 33 HA ILE 33 -7.078 5.144 -27.587 232 HB ILE 33 HB ILE 33 -5.581 6.230 -26.046 233 1HG1 ILE 33 1HG1 ILE 33 -5.908 7.957 -28.508 234 2HG1 ILE 33 2HG1 ILE 33 -7.173 7.640 -27.325 235 1HG2 ILE 33 1HG2 ILE 33 -3.515 7.325 -26.764 236 2HG2 ILE 33 2HG2 ILE 33 -3.734 6.667 -28.386 237 3HG2 ILE 33 3HG2 ILE 33 -3.453 5.582 -27.024 238 1HD1 ILE 33 1HD1 ILE 33 -6.150 9.808 -26.969 239 2HD1 ILE 33 2HD1 ILE 33 -4.570 9.045 -26.791 240 3HD1 ILE 33 3HD1 ILE 33 -5.839 8.732 -25.608 241 H TYR 34 H TYR 34 -7.943 6.003 -29.388 242 HA TYR 34 HA TYR 34 -6.523 5.574 -31.880 243 1HB TYR 34 1HB TYR 34 -9.367 6.408 -31.288 244 2HB TYR 34 2HB TYR 34 -8.719 6.228 -32.913 245 HD1 TYR 34 HD1 TYR 34 -10.052 4.515 -30.017 246 HD2 TYR 34 HD2 TYR 34 -8.017 3.976 -33.716 247 HE1 TYR 34 HE1 TYR 34 -10.634 2.127 -29.983 248 HE2 TYR 34 HE2 TYR 34 -8.594 1.584 -33.693 249 HH TYR 34 HH TYR 34 -10.917 0.278 -31.576 250 H LEU 35 H LEU 35 -5.996 7.163 -33.352 251 HA LEU 35 HA LEU 35 -5.252 9.674 -32.266 252 1HB LEU 35 1HB LEU 35 -4.639 8.163 -34.550 253 2HB LEU 35 2HB LEU 35 -5.314 9.665 -35.152 254 HG LEU 35 HG LEU 35 -2.926 9.881 -35.041 255 1HD1 LEU 35 1HD1 LEU 35 -4.224 11.866 -34.453 256 2HD1 LEU 35 2HD1 LEU 35 -2.692 11.814 -33.580 257 3HD1 LEU 35 3HD1 LEU 35 -4.190 11.386 -32.755 258 1HD2 LEU 35 1HD2 LEU 35 -2.503 8.121 -33.398 259 2HD2 LEU 35 2HD2 LEU 35 -3.163 9.151 -32.126 260 3HD2 LEU 35 3HD2 LEU 35 -1.685 9.623 -32.964 261 H ASP 36 H ASP 36 -7.962 8.541 -34.123 262 HA ASP 36 HA ASP 36 -8.928 10.983 -35.098 263 1HB ASP 36 1HB ASP 36 -9.660 8.576 -35.668 264 2HB ASP 36 2HB ASP 36 -10.721 8.708 -34.269 265 H ASP 37 H ASP 37 -9.239 9.453 -31.969 266 HA ASP 37 HA ASP 37 -11.167 11.361 -30.980 267 1HB ASP 37 1HB ASP 37 -9.572 9.153 -29.688 268 2HB ASP 37 2HB ASP 37 -10.504 10.296 -28.724 269 H MET 38 H MET 38 -7.688 10.925 -30.919 270 HA MET 38 HA MET 38 -7.092 12.869 -28.957 271 1HB MET 38 1HB MET 38 -5.397 12.019 -31.315 272 2HB MET 38 2HB MET 38 -4.819 12.851 -29.877 273 1HG MET 38 1HG MET 38 -5.529 10.903 -28.526 274 2HG MET 38 2HG MET 38 -5.962 10.075 -30.020 275 1HE MET 38 1HE MET 38 -3.088 11.411 -27.745 276 2HE MET 38 2HE MET 38 -2.930 12.442 -29.168 277 3HE MET 38 3HE MET 38 -1.678 11.259 -28.794 278 H PHE 39 H PHE 39 -7.645 13.039 -32.417 279 HA PHE 39 HA PHE 39 -6.920 15.758 -32.762 280 1HB PHE 39 1HB PHE 39 -7.124 14.108 -34.614 281 2HB PHE 39 2HB PHE 39 -8.869 14.113 -34.392 282 HD1 PHE 39 HD1 PHE 39 -6.003 16.332 -35.199 283 HD2 PHE 39 HD2 PHE 39 -10.193 15.654 -35.520 284 HE1 PHE 39 HE1 PHE 39 -6.184 18.227 -36.757 285 HE2 PHE 39 HE2 PHE 39 -10.383 17.552 -37.077 286 HZ PHE 39 HZ PHE 39 -8.379 18.840 -37.697 287 H GLU 40 H GLU 40 -9.678 14.227 -31.417 288 HA GLU 40 HA GLU 40 -11.513 16.398 -31.765 289 1HB GLU 40 1HB GLU 40 -11.513 13.895 -30.099 290 2HB GLU 40 2HB GLU 40 -12.770 15.108 -29.921 291 1HG GLU 40 1HG GLU 40 -12.088 13.616 -32.439 292 2HG GLU 40 2HG GLU 40 -13.479 13.327 -31.392 293 H GLY 41 H GLY 41 -8.863 15.895 -29.751 294 1HA GLY 41 1HA GLY 41 -8.082 17.514 -28.204 295 2HA GLY 41 2HA GLY 41 -9.739 18.066 -27.985 296 H GLU 42 H GLU 42 -10.052 14.877 -27.980 297 HA GLU 42 HA GLU 42 -9.985 14.687 -25.076 298 1HB GLU 42 1HB GLU 42 -11.968 13.882 -26.385 299 2HB GLU 42 2HB GLU 42 -10.940 12.660 -27.117 300 1HG GLU 42 1HG GLU 42 -12.086 11.558 -25.404 301 2HG GLU 42 2HG GLU 42 -10.470 11.848 -24.765 302 H LYS 43 H LYS 43 -8.002 14.198 -24.287 303 HA LYS 43 HA LYS 43 -6.478 12.184 -25.767 304 1HB LYS 43 1HB LYS 43 -4.401 13.183 -25.004 305 2HB LYS 43 2HB LYS 43 -5.355 14.334 -25.919 306 1HG LYS 43 1HG LYS 43 -5.444 14.277 -22.933 307 2HG LYS 43 2HG LYS 43 -4.155 15.108 -23.801 308 1HD LYS 43 1HD LYS 43 -5.673 16.599 -24.818 309 2HD LYS 43 2HD LYS 43 -7.065 15.641 -24.317 310 1HE LYS 43 1HE LYS 43 -5.176 17.098 -22.494 311 2HE LYS 43 2HE LYS 43 -6.794 17.634 -22.937 312 1HZ LYS 43 1HZ LYS 43 -6.063 15.232 -21.342 313 2HZ LYS 43 2HZ LYS 43 -7.625 15.525 -21.939 314 3HZ LYS 43 3HZ LYS 43 -6.933 16.596 -20.823 315 H VAL 44 H VAL 44 -6.954 10.390 -24.765 316 HA VAL 44 HA VAL 44 -5.815 9.854 -22.221 317 HB VAL 44 HB VAL 44 -7.714 10.827 -21.217 318 1HG1 VAL 44 1HG1 VAL 44 -10.017 10.368 -21.881 319 2HG1 VAL 44 2HG1 VAL 44 -9.438 9.336 -23.189 320 3HG1 VAL 44 3HG1 VAL 44 -9.085 11.065 -23.205 321 1HG2 VAL 44 1HG2 VAL 44 -8.912 8.961 -20.185 322 2HG2 VAL 44 2HG2 VAL 44 -7.182 8.629 -20.296 323 3HG2 VAL 44 3HG2 VAL 44 -8.301 7.876 -21.433 324 H ALA 45 H ALA 45 -5.224 7.776 -22.214 325 HA ALA 45 HA ALA 45 -6.346 6.052 -24.306 326 1HB ALA 45 1HB ALA 45 -3.819 5.709 -22.696 327 2HB ALA 45 2HB ALA 45 -3.916 6.347 -24.336 328 3HB ALA 45 3HB ALA 45 -4.358 4.670 -24.014 329 H VAL 46 H VAL 46 -7.277 4.121 -23.851 330 HA VAL 46 HA VAL 46 -7.856 3.629 -20.998 331 HB VAL 46 HB VAL 46 -9.630 2.945 -23.353 332 1HG1 VAL 46 1HG1 VAL 46 -9.903 1.498 -21.399 333 2HG1 VAL 46 2HG1 VAL 46 -11.326 2.505 -21.669 334 3HG1 VAL 46 3HG1 VAL 46 -10.183 2.918 -20.390 335 1HG2 VAL 46 1HG2 VAL 46 -9.859 5.238 -21.404 336 2HG2 VAL 46 2HG2 VAL 46 -11.065 4.795 -22.612 337 3HG2 VAL 46 3HG2 VAL 46 -9.475 5.363 -23.120 338 H CYS 47 H CYS 47 -6.905 1.853 -20.287 339 HA CYS 47 HA CYS 47 -6.270 -0.318 -22.121 340 1HB CYS 47 1HB CYS 47 -4.765 0.559 -20.201 341 2HB CYS 47 2HB CYS 47 -5.848 -0.337 -19.142 342 HA PRO 48 HA PRO 48 -10.212 -2.084 -21.070 343 1HB PRO 48 1HB PRO 48 -10.015 -4.300 -22.607 344 2HB PRO 48 2HB PRO 48 -10.342 -2.698 -23.274 345 1HG PRO 48 1HG PRO 48 -7.783 -4.229 -23.188 346 2HG PRO 48 2HG PRO 48 -8.447 -3.223 -24.487 347 1HD PRO 48 1HD PRO 48 -6.500 -2.386 -22.750 348 2HD PRO 48 2HD PRO 48 -7.632 -1.292 -23.569 349 H SER 49 H SER 49 -11.042 -3.801 -19.902 350 HA SER 49 HA SER 49 -11.175 -5.577 -18.534 351 1HB SER 49 1HB SER 49 -8.314 -6.108 -19.322 352 2HB SER 49 2HB SER 49 -9.317 -7.191 -18.359 353 HG SER 49 HG SER 49 -9.244 -7.675 -20.653 354 H CYS 50 H CYS 50 -7.963 -3.986 -18.119 355 HA CYS 50 HA CYS 50 -8.335 -4.167 -15.245 356 1HB CYS 50 1HB CYS 50 -6.150 -3.308 -14.995 357 2HB CYS 50 2HB CYS 50 -6.063 -4.331 -16.421 358 H SER 51 H SER 51 -8.734 -1.885 -17.812 359 HA SER 51 HA SER 51 -10.179 -0.151 -17.983 360 1HB SER 51 1HB SER 51 -11.633 -1.499 -16.472 361 2HB SER 51 2HB SER 51 -10.900 -0.687 -15.091 362 HG SER 51 HG SER 51 -11.716 1.271 -15.871 363 H LEU 52 H LEU 52 -7.503 0.421 -17.482 364 HA LEU 52 HA LEU 52 -7.636 2.665 -15.603 365 1HB LEU 52 1HB LEU 52 -5.832 1.121 -15.149 366 2HB LEU 52 2HB LEU 52 -5.259 1.254 -16.800 367 HG LEU 52 HG LEU 52 -4.547 3.533 -16.440 368 1HD1 LEU 52 1HD1 LEU 52 -5.708 3.275 -13.668 369 2HD1 LEU 52 2HD1 LEU 52 -6.349 4.274 -14.974 370 3HD1 LEU 52 3HD1 LEU 52 -4.771 4.641 -14.274 371 1HD2 LEU 52 1HD2 LEU 52 -2.988 1.792 -15.769 372 2HD2 LEU 52 2HD2 LEU 52 -3.704 1.749 -14.157 373 3HD2 LEU 52 3HD2 LEU 52 -2.846 3.191 -14.703 374 H MET 53 H MET 53 -7.666 4.642 -16.311 375 HA MET 53 HA MET 53 -7.036 5.158 -19.134 376 1HB MET 53 1HB MET 53 -9.043 6.509 -17.320 377 2HB MET 53 2HB MET 53 -8.658 7.041 -18.951 378 1HG MET 53 1HG MET 53 -9.633 5.159 -19.921 379 2HG MET 53 2HG MET 53 -9.625 4.264 -18.402 380 1HE MET 53 1HE MET 53 -10.716 6.331 -16.317 381 2HE MET 53 2HE MET 53 -11.249 4.654 -16.435 382 3HE MET 53 3HE MET 53 -12.440 5.955 -16.358 383 H ILE 54 H ILE 54 -5.639 6.764 -19.588 384 HA ILE 54 HA ILE 54 -4.810 8.573 -17.441 385 HB ILE 54 HB ILE 54 -2.492 8.253 -17.726 386 1HG1 ILE 54 1HG1 ILE 54 -2.455 8.036 -20.179 387 2HG1 ILE 54 2HG1 ILE 54 -1.454 6.824 -19.394 388 1HG2 ILE 54 1HG2 ILE 54 -3.450 6.564 -16.318 389 2HG2 ILE 54 2HG2 ILE 54 -2.124 5.864 -17.247 390 3HG2 ILE 54 3HG2 ILE 54 -3.796 5.543 -17.713 391 1HD1 ILE 54 1HD1 ILE 54 -3.254 5.176 -19.726 392 2HD1 ILE 54 2HD1 ILE 54 -2.632 5.846 -21.233 393 3HD1 ILE 54 3HD1 ILE 54 -4.178 6.408 -20.591 394 H ASP 55 H ASP 55 -3.779 10.491 -18.211 395 HA ASP 55 HA ASP 55 -4.985 11.374 -20.695 396 1HB ASP 55 1HB ASP 55 -4.724 12.624 -18.385 397 2HB ASP 55 2HB ASP 55 -3.138 13.038 -19.011 398 H VAL 56 H VAL 56 -3.745 12.301 -22.446 399 HA VAL 56 HA VAL 56 -0.895 11.606 -22.395 400 HB VAL 56 HB VAL 56 -1.910 9.830 -23.653 401 1HG1 VAL 56 1HG1 VAL 56 -3.124 11.941 -25.427 402 2HG1 VAL 56 2HG1 VAL 56 -3.995 10.922 -24.281 403 3HG1 VAL 56 3HG1 VAL 56 -3.205 10.197 -25.682 404 1HG2 VAL 56 1HG2 VAL 56 -0.736 10.060 -25.792 405 2HG2 VAL 56 2HG2 VAL 56 0.248 10.620 -24.439 406 3HG2 VAL 56 3HG2 VAL 56 -0.544 11.788 -25.497 407 H VAL 57 H VAL 57 0.233 13.352 -22.584 408 HA VAL 57 HA VAL 57 -0.815 15.841 -23.505 409 HB VAL 57 HB VAL 57 2.083 15.092 -23.056 410 1HG1 VAL 57 1HG1 VAL 57 0.730 17.786 -23.170 411 2HG1 VAL 57 2HG1 VAL 57 1.866 17.130 -24.350 412 3HG1 VAL 57 3HG1 VAL 57 2.410 17.506 -22.715 413 1HG2 VAL 57 1HG2 VAL 57 0.098 16.320 -21.151 414 2HG2 VAL 57 2HG2 VAL 57 1.811 16.046 -20.829 415 3HG2 VAL 57 3HG2 VAL 57 0.728 14.675 -21.070 416 H PHE 58 H PHE 58 -1.066 16.472 -25.544 417 HA PHE 58 HA PHE 58 0.808 15.498 -27.579 418 1HB PHE 58 1HB PHE 58 -0.938 14.984 -29.116 419 2HB PHE 58 2HB PHE 58 -1.386 14.213 -27.599 420 HD1 PHE 58 HD1 PHE 58 -3.080 15.415 -26.114 421 HD2 PHE 58 HD2 PHE 58 -2.381 16.472 -30.172 422 HE1 PHE 58 HE1 PHE 58 -5.248 16.575 -26.184 423 HE2 PHE 58 HE2 PHE 58 -4.546 17.634 -30.247 424 HZ PHE 58 HZ PHE 58 -5.982 17.689 -28.251 425 H ASP 59 H ASP 59 0.744 16.816 -29.566 426 HA ASP 59 HA ASP 59 -0.411 19.490 -29.232 427 1HB ASP 59 1HB ASP 59 2.092 19.465 -28.672 428 2HB ASP 59 2HB ASP 59 2.360 19.066 -30.360 429 H LYS 60 H LYS 60 -0.644 20.606 -31.321 430 HA LYS 60 HA LYS 60 -1.635 18.938 -33.366 431 1HB LYS 60 1HB LYS 60 -0.782 21.836 -33.522 432 2HB LYS 60 2HB LYS 60 -1.731 20.995 -34.734 433 1HG LYS 60 1HG LYS 60 -3.444 21.962 -33.631 434 2HG LYS 60 2HG LYS 60 -3.275 20.549 -32.590 435 1HD LYS 60 1HD LYS 60 -3.419 22.488 -31.190 436 2HD LYS 60 2HD LYS 60 -1.753 21.905 -31.133 437 1HE LYS 60 1HE LYS 60 -1.094 23.591 -32.755 438 2HE LYS 60 2HE LYS 60 -2.760 24.152 -32.877 439 1HZ LYS 60 1HZ LYS 60 -1.467 25.577 -31.440 440 2HZ LYS 60 2HZ LYS 60 -1.060 24.267 -30.439 441 3HZ LYS 60 3HZ LYS 60 -2.670 24.794 -30.539 442 H GLU 61 H GLU 61 1.436 20.558 -32.855 443 HA GLU 61 HA GLU 61 2.637 19.952 -35.343 444 1HB GLU 61 1HB GLU 61 3.843 20.447 -32.615 445 2HB GLU 61 2HB GLU 61 4.782 20.335 -34.099 446 1HG GLU 61 1HG GLU 61 3.823 22.298 -34.976 447 2HG GLU 61 2HG GLU 61 2.549 22.313 -33.758 448 H ASP 62 H ASP 62 2.675 18.265 -32.223 449 HA ASP 62 HA ASP 62 4.271 16.094 -33.030 450 1HB ASP 62 1HB ASP 62 2.200 16.368 -30.852 451 2HB ASP 62 2HB ASP 62 3.133 14.895 -31.092 452 H LEU 63 H LEU 63 0.748 16.542 -32.977 453 HA LEU 63 HA LEU 63 -0.017 13.986 -33.736 454 1HB LEU 63 1HB LEU 63 -1.292 16.636 -34.390 455 2HB LEU 63 2HB LEU 63 -2.041 15.090 -34.734 456 HG LEU 63 HG LEU 63 -1.416 16.253 -32.026 457 1HD1 LEU 63 1HD1 LEU 63 -4.002 15.484 -33.372 458 2HD1 LEU 63 2HD1 LEU 63 -3.416 17.125 -33.098 459 3HD1 LEU 63 3HD1 LEU 63 -3.839 16.100 -31.727 460 1HD2 LEU 63 1HD2 LEU 63 -0.915 13.882 -31.970 461 2HD2 LEU 63 2HD2 LEU 63 -2.469 13.513 -32.722 462 3HD2 LEU 63 3HD2 LEU 63 -2.414 14.207 -31.101 463 H ALA 64 H ALA 64 0.597 16.792 -35.858 464 HA ALA 64 HA ALA 64 0.024 15.553 -38.283 465 1HB ALA 64 1HB ALA 64 1.368 17.304 -39.328 466 2HB ALA 64 2HB ALA 64 2.060 17.719 -37.761 467 3HB ALA 64 3HB ALA 64 0.339 17.965 -38.058 468 H GLU 65 H GLU 65 3.074 15.688 -36.499 469 HA GLU 65 HA GLU 65 4.661 14.437 -38.470 470 1HB GLU 65 1HB GLU 65 5.397 15.800 -36.423 471 2HB GLU 65 2HB GLU 65 5.180 14.315 -35.505 472 1HG GLU 65 1HG GLU 65 6.796 13.183 -36.949 473 2HG GLU 65 2HG GLU 65 7.025 14.681 -37.851 474 H TYR 66 H TYR 66 3.115 13.164 -35.538 475 HA TYR 66 HA TYR 66 3.933 10.497 -35.975 476 1HB TYR 66 1HB TYR 66 1.907 11.749 -34.150 477 2HB TYR 66 2HB TYR 66 2.078 9.997 -34.259 478 HD1 TYR 66 HD1 TYR 66 4.444 9.032 -33.912 479 HD2 TYR 66 HD2 TYR 66 3.322 12.957 -32.707 480 HE1 TYR 66 HE1 TYR 66 6.347 9.093 -32.360 481 HE2 TYR 66 HE2 TYR 66 5.226 13.027 -31.149 482 HH TYR 66 HH TYR 66 7.730 10.666 -31.215 483 H TYR 67 H TYR 67 1.055 12.291 -36.942 484 HA TYR 67 HA TYR 67 -0.549 10.274 -37.943 485 1HB TYR 67 1HB TYR 67 -0.071 13.101 -38.612 486 2HB TYR 67 2HB TYR 67 -0.675 12.141 -39.952 487 HD1 TYR 67 HD1 TYR 67 -2.933 11.371 -40.006 488 HD2 TYR 67 HD2 TYR 67 -1.455 13.392 -36.570 489 HE1 TYR 67 HE1 TYR 67 -5.235 11.637 -39.180 490 HE2 TYR 67 HE2 TYR 67 -3.750 13.657 -35.735 491 HH TYR 67 HH TYR 67 -6.401 11.992 -37.058 492 H GLU 68 H GLU 68 2.282 11.794 -39.427 493 HA GLU 68 HA GLU 68 2.250 10.370 -41.849 494 1HB GLU 68 1HB GLU 68 4.614 11.518 -40.351 495 2HB GLU 68 2HB GLU 68 4.612 11.036 -42.041 496 1HG GLU 68 1HG GLU 68 2.994 12.765 -42.557 497 2HG GLU 68 2HG GLU 68 2.922 13.222 -40.855 498 H GLU 69 H GLU 69 3.976 9.775 -38.801 499 HA GLU 69 HA GLU 69 5.355 7.493 -39.756 500 1HB GLU 69 1HB GLU 69 4.850 8.520 -36.966 501 2HB GLU 69 2HB GLU 69 5.840 7.101 -37.308 502 1HG GLU 69 1HG GLU 69 7.118 8.702 -38.899 503 2HG GLU 69 2HG GLU 69 6.359 9.973 -37.941 504 H ALA 70 H ALA 70 2.272 7.900 -38.129 505 HA ALA 70 HA ALA 70 2.002 5.072 -37.622 506 1HB ALA 70 1HB ALA 70 -0.073 7.247 -37.426 507 2HB ALA 70 2HB ALA 70 0.990 6.727 -36.119 508 3HB ALA 70 3HB ALA 70 -0.204 5.610 -36.780 509 H GLY 71 H GLY 71 1.584 7.064 -40.296 510 1HA GLY 71 1HA GLY 71 1.005 6.449 -42.445 511 2HA GLY 71 2HA GLY 71 0.596 4.850 -41.840 512 H ILE 72 H ILE 72 -0.664 7.926 -40.729 513 HA ILE 72 HA ILE 72 -3.370 6.948 -41.217 514 HB ILE 72 HB ILE 72 -2.793 9.603 -39.944 515 1HG1 ILE 72 1HG1 ILE 72 -2.488 6.922 -38.572 516 2HG1 ILE 72 2HG1 ILE 72 -1.194 8.077 -38.877 517 1HG2 ILE 72 1HG2 ILE 72 -4.753 9.005 -38.613 518 2HG2 ILE 72 2HG2 ILE 72 -4.814 7.432 -39.404 519 3HG2 ILE 72 3HG2 ILE 72 -5.100 8.900 -40.340 520 1HD1 ILE 72 1HD1 ILE 72 -3.569 8.502 -37.071 521 2HD1 ILE 72 2HD1 ILE 72 -2.283 9.670 -37.378 522 3HD1 ILE 72 3HD1 ILE 72 -1.916 8.149 -36.566 523 H HIS 73 H HIS 73 -4.944 8.808 -41.966 524 HA HIS 73 HA HIS 73 -4.118 9.573 -44.570 525 1HB HIS 73 1HB HIS 73 -6.521 9.154 -43.649 526 2HB HIS 73 2HB HIS 73 -6.447 10.842 -43.151 527 HD1 HIS 73 HD1 HIS 73 -6.791 12.609 -44.970 528 HD2 HIS 73 HD2 HIS 73 -6.446 8.745 -46.464 529 HE1 HIS 73 HE1 HIS 73 -7.412 12.764 -47.400 530 HE2 HIS 73 HE2 HIS 73 -7.139 10.425 -48.305 531 HA PRO 74 HA PRO 74 -1.546 13.039 -43.453 532 1HB PRO 74 1HB PRO 74 -2.367 13.865 -46.210 533 2HB PRO 74 2HB PRO 74 -0.756 13.821 -45.480 534 1HG PRO 74 1HG PRO 74 -1.506 11.920 -47.174 535 2HG PRO 74 2HG PRO 74 -0.555 11.524 -45.731 536 1HD PRO 74 1HD PRO 74 -3.452 11.076 -46.271 537 2HD PRO 74 2HD PRO 74 -2.311 10.099 -45.326 538 HA PRO 75 HA PRO 75 -4.840 15.735 -42.121 539 1HB PRO 75 1HB PRO 75 -2.666 17.420 -41.080 540 2HB PRO 75 2HB PRO 75 -3.969 16.603 -40.213 541 1HG PRO 75 1HG PRO 75 -1.413 15.772 -40.053 542 2HG PRO 75 2HG PRO 75 -2.777 14.640 -40.000 543 1HD PRO 75 1HD PRO 75 -0.946 15.299 -42.277 544 2HD PRO 75 2HD PRO 75 -1.596 13.726 -41.770 545 H GLU 76 H GLU 76 -5.734 17.640 -42.726 546 HA GLU 76 HA GLU 76 -4.683 19.055 -44.984 547 1HB GLU 76 1HB GLU 76 -7.022 19.728 -43.174 548 2HB GLU 76 2HB GLU 76 -6.699 20.444 -44.745 549 1HG GLU 76 1HG GLU 76 -7.286 17.530 -44.286 550 2HG GLU 76 2HG GLU 76 -8.480 18.732 -44.775 551 HA PRO 77 HA PRO 77 -2.403 22.387 -43.127 552 1HB PRO 77 1HB PRO 77 -4.484 24.318 -44.015 553 2HB PRO 77 2HB PRO 77 -2.734 24.356 -44.254 554 1HG PRO 77 1HG PRO 77 -4.374 23.683 -46.250 555 2HG PRO 77 2HG PRO 77 -2.809 22.875 -46.035 556 1HD PRO 77 1HD PRO 77 -5.556 21.887 -45.432 557 2HD PRO 77 2HD PRO 77 -4.127 20.990 -45.985 558 H ILE 78 H ILE 78 -2.290 23.319 -41.173 559 HA ILE 78 HA ILE 78 -4.776 23.383 -39.582 560 HB ILE 78 HB ILE 78 -3.369 22.747 -37.617 561 1HG1 ILE 78 1HG1 ILE 78 -1.298 22.134 -39.741 562 2HG1 ILE 78 2HG1 ILE 78 -1.184 23.414 -38.536 563 1HG2 ILE 78 1HG2 ILE 78 -3.439 20.745 -39.872 564 2HG2 ILE 78 2HG2 ILE 78 -4.765 21.111 -38.767 565 3HG2 ILE 78 3HG2 ILE 78 -3.287 20.370 -38.156 566 1HD1 ILE 78 1HD1 ILE 78 -1.160 21.715 -36.766 567 2HD1 ILE 78 2HD1 ILE 78 0.173 21.519 -37.904 568 3HD1 ILE 78 3HD1 ILE 78 -1.229 20.452 -37.995 569 H ALA 79 H ALA 79 -4.229 24.565 -37.375 570 HA ALA 79 HA ALA 79 -3.447 27.255 -38.182 571 1HB ALA 79 1HB ALA 79 -4.683 26.302 -35.598 572 2HB ALA 79 2HB ALA 79 -5.570 26.923 -36.991 573 3HB ALA 79 3HB ALA 79 -4.471 27.977 -36.102 574 H ALA 80 H ALA 80 -1.684 24.810 -37.361 575 HA ALA 80 HA ALA 80 0.027 26.262 -35.459 576 1HB ALA 80 1HB ALA 80 1.046 24.120 -34.921 577 2HB ALA 80 2HB ALA 80 0.022 23.315 -36.111 578 3HB ALA 80 3HB ALA 80 -0.700 24.054 -34.682 579 H ALA 81 H ALA 81 1.482 27.406 -36.523 580 HA ALA 81 HA ALA 81 2.671 26.299 -38.978 581 1HB ALA 81 1HB ALA 81 2.743 29.124 -37.909 582 2HB ALA 81 2HB ALA 81 1.667 28.524 -39.171 583 3HB ALA 81 3HB ALA 81 3.406 28.578 -39.450 584 H ALA 82 H ALA 82 3.246 25.952 -35.935 585 HA ALA 82 HA ALA 82 5.015 25.354 -34.666 586 1HB ALA 82 1HB ALA 82 6.720 25.867 -37.102 587 2HB ALA 82 2HB ALA 82 5.971 24.328 -36.679 588 3HB ALA 82 3HB ALA 82 7.214 25.020 -35.637 Start of MODEL 6 1 1H MET 1 1H MET 1 -15.121 7.754 -12.200 2 HA MET 1 HA MET 1 -13.450 6.716 -14.311 3 1HB MET 1 1HB MET 1 -16.100 8.169 -14.385 4 2HB MET 1 2HB MET 1 -15.272 7.565 -15.813 5 1HG MET 1 1HG MET 1 -15.412 5.286 -14.903 6 2HG MET 1 2HG MET 1 -16.303 5.913 -13.517 7 1HE MET 1 1HE MET 1 -19.025 3.969 -15.566 8 2HE MET 1 2HE MET 1 -18.249 4.152 -13.993 9 3HE MET 1 3HE MET 1 -17.327 3.539 -15.366 10 H SER 2 H SER 2 -11.749 8.201 -13.476 11 HA SER 2 HA SER 2 -11.701 10.621 -15.100 12 1HB SER 2 1HB SER 2 -10.992 10.623 -12.149 13 2HB SER 2 2HB SER 2 -10.908 11.998 -13.247 14 HG SER 2 HG SER 2 -13.318 11.277 -13.527 15 H THR 3 H THR 3 -9.461 11.448 -15.290 16 HA THR 3 HA THR 3 -7.625 9.210 -15.460 17 HB THR 3 HB THR 3 -6.216 11.060 -16.622 18 HG1 THR 3 HG1 THR 3 -7.361 12.825 -17.286 19 1HG2 THR 3 1HG2 THR 3 -8.807 10.057 -17.805 20 2HG2 THR 3 2HG2 THR 3 -7.263 9.203 -17.807 21 3HG2 THR 3 3HG2 THR 3 -7.445 10.699 -18.722 22 H TYR 4 H TYR 4 -6.393 8.791 -13.759 23 HA TYR 4 HA TYR 4 -5.692 10.870 -11.864 24 1HB TYR 4 1HB TYR 4 -5.215 7.891 -11.938 25 2HB TYR 4 2HB TYR 4 -4.533 8.923 -10.686 26 HD1 TYR 4 HD1 TYR 4 -7.822 8.048 -12.245 27 HD2 TYR 4 HD2 TYR 4 -5.741 9.285 -8.745 28 HE1 TYR 4 HE1 TYR 4 -9.895 7.822 -10.940 29 HE2 TYR 4 HE2 TYR 4 -7.807 9.060 -7.432 30 HH TYR 4 HH TYR 4 -10.141 8.956 -7.661 31 H ASP 5 H ASP 5 -4.275 9.259 -14.547 32 HA ASP 5 HA ASP 5 -1.660 10.439 -13.889 33 1HB ASP 5 1HB ASP 5 -2.313 7.835 -15.254 34 2HB ASP 5 2HB ASP 5 -0.748 8.612 -15.455 35 H GLU 6 H GLU 6 -0.549 11.485 -15.501 36 HA GLU 6 HA GLU 6 -1.809 11.722 -18.131 37 1HB GLU 6 1HB GLU 6 -2.638 13.594 -16.722 38 2HB GLU 6 2HB GLU 6 -0.977 14.095 -16.443 39 1HG GLU 6 1HG GLU 6 -0.689 14.629 -18.760 40 2HG GLU 6 2HG GLU 6 -2.274 13.968 -19.155 41 H ILE 7 H ILE 7 -0.247 11.020 -19.446 42 HA ILE 7 HA ILE 7 2.550 11.732 -18.804 43 HB ILE 7 HB ILE 7 1.819 9.489 -20.670 44 1HG1 ILE 7 1HG1 ILE 7 2.362 8.068 -18.480 45 2HG1 ILE 7 2HG1 ILE 7 1.653 9.477 -17.694 46 1HG2 ILE 7 1HG2 ILE 7 4.206 9.978 -18.897 47 2HG2 ILE 7 2HG2 ILE 7 4.126 10.250 -20.637 48 3HG2 ILE 7 3HG2 ILE 7 3.997 8.614 -19.994 49 1HD1 ILE 7 1HD1 ILE 7 0.329 7.798 -19.816 50 2HD1 ILE 7 2HD1 ILE 7 -0.384 9.183 -18.987 51 3HD1 ILE 7 3HD1 ILE 7 0.004 7.720 -18.082 52 H GLU 8 H GLU 8 3.969 12.093 -20.696 53 HA GLU 8 HA GLU 8 2.633 13.707 -22.672 54 1HB GLU 8 1HB GLU 8 5.550 12.973 -22.338 55 2HB GLU 8 2HB GLU 8 4.941 14.051 -23.586 56 1HG GLU 8 1HG GLU 8 5.755 15.457 -21.911 57 2HG GLU 8 2HG GLU 8 4.006 15.467 -21.698 58 H ILE 9 H ILE 9 2.658 13.366 -24.912 59 HA ILE 9 HA ILE 9 1.898 10.812 -25.711 60 HB ILE 9 HB ILE 9 1.179 12.858 -26.849 61 1HG1 ILE 9 1HG1 ILE 9 2.651 11.038 -28.764 62 2HG1 ILE 9 2HG1 ILE 9 1.106 10.647 -28.014 63 1HG2 ILE 9 1HG2 ILE 9 2.665 13.978 -28.463 64 2HG2 ILE 9 2HG2 ILE 9 4.005 12.981 -27.896 65 3HG2 ILE 9 3HG2 ILE 9 3.234 14.129 -26.801 66 1HD1 ILE 9 1HD1 ILE 9 0.813 11.457 -30.283 67 2HD1 ILE 9 2HD1 ILE 9 1.643 12.959 -29.870 68 3HD1 ILE 9 3HD1 ILE 9 0.092 12.572 -29.123 69 H GLU 10 H GLU 10 5.030 12.297 -25.723 70 HA GLU 10 HA GLU 10 6.289 10.609 -27.608 71 1HB GLU 10 1HB GLU 10 8.404 11.477 -26.589 72 2HB GLU 10 2HB GLU 10 7.281 12.726 -27.109 73 1HG GLU 10 1HG GLU 10 6.606 13.163 -24.875 74 2HG GLU 10 2HG GLU 10 7.477 11.754 -24.273 75 H ASP 11 H ASP 11 5.547 10.211 -24.231 76 HA ASP 11 HA ASP 11 7.607 8.268 -23.734 77 1HB ASP 11 1HB ASP 11 6.622 9.739 -21.956 78 2HB ASP 11 2HB ASP 11 5.135 8.804 -22.079 79 H MET 12 H MET 12 4.151 8.170 -24.457 80 HA MET 12 HA MET 12 3.807 5.393 -24.122 81 1HB MET 12 1HB MET 12 2.301 7.380 -25.825 82 2HB MET 12 2HB MET 12 1.804 5.708 -25.609 83 1HG MET 12 1HG MET 12 1.631 6.096 -23.184 84 2HG MET 12 2HG MET 12 2.051 7.788 -23.446 85 1HE MET 12 1HE MET 12 -0.583 4.966 -24.216 86 2HE MET 12 2HE MET 12 -0.172 5.584 -25.816 87 3HE MET 12 3HE MET 12 -1.782 5.860 -25.151 88 H THR 13 H THR 13 3.432 3.794 -25.809 89 HA THR 13 HA THR 13 5.568 3.950 -27.779 90 HB THR 13 HB THR 13 3.793 1.577 -27.218 91 HG1 THR 13 HG1 THR 13 6.014 2.588 -25.778 92 1HG2 THR 13 1HG2 THR 13 5.778 0.319 -27.971 93 2HG2 THR 13 2HG2 THR 13 6.607 1.845 -28.284 94 3HG2 THR 13 3HG2 THR 13 5.173 1.413 -29.217 95 H PHE 14 H PHE 14 5.010 4.867 -29.659 96 HA PHE 14 HA PHE 14 2.322 4.728 -30.677 97 1HB PHE 14 1HB PHE 14 3.181 6.030 -32.578 98 2HB PHE 14 2HB PHE 14 3.638 6.759 -31.046 99 HD1 PHE 14 HD1 PHE 14 5.996 6.534 -30.242 100 HD2 PHE 14 HD2 PHE 14 4.798 5.339 -34.150 101 HE1 PHE 14 HE1 PHE 14 8.344 6.585 -30.975 102 HE2 PHE 14 HE2 PHE 14 7.146 5.383 -34.885 103 HZ PHE 14 HZ PHE 14 8.920 6.006 -33.298 104 H GLU 15 H GLU 15 1.529 3.391 -32.183 105 HA GLU 15 HA GLU 15 3.426 1.535 -33.448 106 1HB GLU 15 1HB GLU 15 1.984 0.381 -31.833 107 2HB GLU 15 2HB GLU 15 0.558 1.001 -32.655 108 1HG GLU 15 1HG GLU 15 1.066 -1.354 -33.193 109 2HG GLU 15 2HG GLU 15 1.049 -0.304 -34.609 110 HA PRO 16 HA PRO 16 1.885 3.958 -36.959 111 1HB PRO 16 1HB PRO 16 3.786 2.935 -38.666 112 2HB PRO 16 2HB PRO 16 4.026 4.356 -37.645 113 1HG PRO 16 1HG PRO 16 4.883 1.526 -37.190 114 2HG PRO 16 2HG PRO 16 5.764 3.034 -36.869 115 1HD PRO 16 1HD PRO 16 4.556 1.657 -34.900 116 2HD PRO 16 2HD PRO 16 4.612 3.432 -34.899 117 H GLU 17 H GLU 17 2.596 0.531 -36.702 118 HA GLU 17 HA GLU 17 1.363 -0.250 -39.138 119 1HB GLU 17 1HB GLU 17 1.918 -1.851 -36.638 120 2HB GLU 17 2HB GLU 17 1.443 -2.532 -38.189 121 1HG GLU 17 1HG GLU 17 3.488 -1.642 -39.198 122 2HG GLU 17 2HG GLU 17 3.967 -0.985 -37.633 123 H ASN 18 H ASN 18 0.121 0.518 -36.002 124 HA ASN 18 HA ASN 18 -2.504 -0.593 -36.735 125 1HB ASN 18 1HB ASN 18 -1.217 -1.154 -34.506 126 2HB ASN 18 2HB ASN 18 -1.836 0.406 -33.987 127 1HD2 ASN 18 1HD2 ASN 18 -4.318 0.128 -35.507 128 2HD2 ASN 18 2HD2 ASN 18 -5.281 -1.020 -34.633 129 H GLN 19 H GLN 19 -0.718 2.227 -36.494 130 HA GLN 19 HA GLN 19 -1.163 4.401 -36.925 131 1HB GLN 19 1HB GLN 19 -3.954 3.389 -37.443 132 2HB GLN 19 2HB GLN 19 -3.510 5.080 -37.584 133 1HG GLN 19 1HG GLN 19 -3.361 4.408 -39.753 134 2HG GLN 19 2HG GLN 19 -1.698 4.163 -39.226 135 1HE2 GLN 19 1HE2 GLN 19 -0.868 2.121 -39.169 136 2HE2 GLN 19 2HE2 GLN 19 -1.725 0.727 -39.740 137 H MET 20 H MET 20 -1.177 3.426 -34.225 138 HA MET 20 HA MET 20 -2.566 5.632 -32.994 139 1HB MET 20 1HB MET 20 -3.959 4.338 -31.491 140 2HB MET 20 2HB MET 20 -4.375 3.967 -33.159 141 1HG MET 20 1HG MET 20 -3.186 1.885 -33.048 142 2HG MET 20 2HG MET 20 -2.587 2.273 -31.435 143 1HE MET 20 1HE MET 20 -3.876 -0.442 -32.049 144 2HE MET 20 2HE MET 20 -5.055 -0.672 -30.755 145 3HE MET 20 3HE MET 20 -3.459 -0.015 -30.390 146 H PHE 21 H PHE 21 -2.370 5.417 -30.500 147 HA PHE 21 HA PHE 21 0.392 4.589 -29.937 148 1HB PHE 21 1HB PHE 21 -1.384 6.700 -28.714 149 2HB PHE 21 2HB PHE 21 0.083 6.145 -27.918 150 HD1 PHE 21 HD1 PHE 21 -1.158 7.643 -31.087 151 HD2 PHE 21 HD2 PHE 21 2.120 7.099 -28.428 152 HE1 PHE 21 HE1 PHE 21 0.164 9.259 -32.391 153 HE2 PHE 21 HE2 PHE 21 3.444 8.713 -29.724 154 HZ PHE 21 HZ PHE 21 2.470 9.792 -31.711 155 H THR 22 H THR 22 0.850 3.253 -28.262 156 HA THR 22 HA THR 22 -1.373 2.348 -26.569 157 HB THR 22 HB THR 22 -0.437 0.024 -26.660 158 HG1 THR 22 HG1 THR 22 1.362 1.321 -28.340 159 1HG2 THR 22 1HG2 THR 22 -1.368 -0.548 -28.848 160 2HG2 THR 22 2HG2 THR 22 -1.318 1.148 -29.321 161 3HG2 THR 22 3HG2 THR 22 -2.386 0.629 -28.017 162 H TYR 23 H TYR 23 -0.582 1.275 -24.565 163 HA TYR 23 HA TYR 23 2.145 2.049 -23.836 164 1HB TYR 23 1HB TYR 23 0.485 3.791 -23.035 165 2HB TYR 23 2HB TYR 23 -0.211 2.544 -22.006 166 HD1 TYR 23 HD1 TYR 23 2.821 4.552 -22.639 167 HD2 TYR 23 HD2 TYR 23 0.834 1.926 -19.945 168 HE1 TYR 23 HE1 TYR 23 4.472 5.095 -20.900 169 HE2 TYR 23 HE2 TYR 23 2.481 2.463 -18.200 170 HH TYR 23 HH TYR 23 4.619 5.071 -18.410 171 HA PRO 24 HA PRO 24 2.091 -2.267 -22.704 172 1HB PRO 24 1HB PRO 24 4.551 -1.393 -21.277 173 2HB PRO 24 2HB PRO 24 4.318 -2.733 -22.405 174 1HG PRO 24 1HG PRO 24 5.571 -0.507 -23.163 175 2HG PRO 24 2HG PRO 24 4.479 -1.363 -24.269 176 1HD PRO 24 1HD PRO 24 4.025 1.155 -22.725 177 2HD PRO 24 2HD PRO 24 3.469 0.710 -24.349 178 H CYS 25 H CYS 25 0.788 -2.942 -21.184 179 HA CYS 25 HA CYS 25 1.254 -2.179 -18.397 180 1HB CYS 25 1HB CYS 25 -0.580 -0.780 -19.029 181 2HB CYS 25 2HB CYS 25 -1.361 -2.083 -19.911 182 HA PRO 26 HA PRO 26 0.487 -6.565 -18.076 183 1HB PRO 26 1HB PRO 26 1.062 -6.833 -15.450 184 2HB PRO 26 2HB PRO 26 2.310 -6.601 -16.676 185 1HG PRO 26 1HG PRO 26 1.324 -4.725 -14.633 186 2HG PRO 26 2HG PRO 26 2.859 -4.724 -15.515 187 1HD PRO 26 1HD PRO 26 0.503 -3.153 -16.027 188 2HD PRO 26 2HD PRO 26 2.048 -3.132 -16.900 189 H CYS 27 H CYS 27 -1.502 -7.315 -18.100 190 HA CYS 27 HA CYS 27 -3.201 -7.550 -15.902 191 1HB CYS 27 1HB CYS 27 -5.012 -6.009 -16.476 192 2HB CYS 27 2HB CYS 27 -3.529 -5.099 -16.203 193 H GLY 28 H GLY 28 -2.994 -7.083 -19.362 194 1HA GLY 28 1HA GLY 28 -3.465 -9.599 -20.242 195 2HA GLY 28 2HA GLY 28 -5.083 -8.961 -19.980 196 H ASP 29 H ASP 29 -4.097 -6.210 -20.634 197 HA ASP 29 HA ASP 29 -3.534 -6.453 -23.493 198 1HB ASP 29 1HB ASP 29 -6.099 -6.297 -22.852 199 2HB ASP 29 2HB ASP 29 -5.720 -4.587 -22.675 200 H ARG 30 H ARG 30 -3.392 -4.043 -24.382 201 HA ARG 30 HA ARG 30 -1.824 -2.534 -22.397 202 1HB ARG 30 1HB ARG 30 -0.829 -1.502 -24.607 203 2HB ARG 30 2HB ARG 30 -0.220 -3.014 -23.960 204 1HG ARG 30 1HG ARG 30 -0.464 -3.173 -26.353 205 2HG ARG 30 2HG ARG 30 -1.611 -4.252 -25.563 206 1HD ARG 30 1HD ARG 30 -3.432 -2.810 -26.043 207 2HD ARG 30 2HD ARG 30 -2.357 -1.494 -26.512 208 HE ARG 30 HE ARG 30 -1.744 -2.884 -28.464 209 1HH1 ARG 30 1HH1 ARG 30 -4.712 -3.694 -26.779 210 2HH1 ARG 30 2HH1 ARG 30 -5.526 -4.231 -28.229 211 1HH2 ARG 30 1HH2 ARG 30 -2.811 -3.645 -30.352 212 2HH2 ARG 30 2HH2 ARG 30 -4.439 -4.241 -30.238 213 H PHE 31 H PHE 31 -1.972 -0.247 -22.389 214 HA PHE 31 HA PHE 31 -4.464 0.914 -22.683 215 1HB PHE 31 1HB PHE 31 -1.727 2.193 -22.792 216 2HB PHE 31 2HB PHE 31 -3.216 3.127 -22.784 217 HD1 PHE 31 HD1 PHE 31 -1.071 0.883 -20.810 218 HD2 PHE 31 HD2 PHE 31 -4.458 3.452 -20.797 219 HE1 PHE 31 HE1 PHE 31 -1.072 0.860 -18.351 220 HE2 PHE 31 HE2 PHE 31 -4.472 3.433 -18.338 221 HZ PHE 31 HZ PHE 31 -2.776 2.136 -17.111 222 H GLN 32 H GLN 32 -5.569 1.919 -24.324 223 HA GLN 32 HA GLN 32 -4.238 2.033 -26.934 224 1HB GLN 32 1HB GLN 32 -6.144 0.993 -28.023 225 2HB GLN 32 2HB GLN 32 -5.494 -0.081 -26.796 226 1HG GLN 32 1HG GLN 32 -7.319 0.861 -25.272 227 2HG GLN 32 2HG GLN 32 -8.034 1.509 -26.745 228 1HE2 GLN 32 1HE2 GLN 32 -6.354 -1.578 -26.369 229 2HE2 GLN 32 2HE2 GLN 32 -7.722 -2.569 -26.728 230 H ILE 33 H ILE 33 -4.727 3.764 -28.160 231 HA ILE 33 HA ILE 33 -7.111 5.331 -27.640 232 HB ILE 33 HB ILE 33 -5.517 6.271 -26.040 233 1HG1 ILE 33 1HG1 ILE 33 -5.931 8.115 -28.402 234 2HG1 ILE 33 2HG1 ILE 33 -7.147 7.753 -27.179 235 1HG2 ILE 33 1HG2 ILE 33 -3.470 7.382 -26.794 236 2HG2 ILE 33 2HG2 ILE 33 -3.770 6.813 -28.436 237 3HG2 ILE 33 3HG2 ILE 33 -3.441 5.653 -27.148 238 1HD1 ILE 33 1HD1 ILE 33 -4.498 9.079 -26.673 239 2HD1 ILE 33 2HD1 ILE 33 -5.753 8.758 -25.477 240 3HD1 ILE 33 3HD1 ILE 33 -6.057 9.896 -26.790 241 H TYR 34 H TYR 34 -7.738 6.572 -29.408 242 HA TYR 34 HA TYR 34 -6.305 5.943 -31.882 243 1HB TYR 34 1HB TYR 34 -9.132 6.916 -31.448 244 2HB TYR 34 2HB TYR 34 -8.414 6.559 -33.015 245 HD1 TYR 34 HD1 TYR 34 -7.664 4.179 -33.487 246 HD2 TYR 34 HD2 TYR 34 -10.107 5.206 -30.150 247 HE1 TYR 34 HE1 TYR 34 -8.363 1.832 -33.280 248 HE2 TYR 34 HE2 TYR 34 -10.811 2.857 -29.938 249 HH TYR 34 HH TYR 34 -10.980 0.846 -31.384 250 H LEU 35 H LEU 35 -5.872 7.500 -33.444 251 HA LEU 35 HA LEU 35 -4.817 9.905 -32.394 252 1HB LEU 35 1HB LEU 35 -4.449 8.392 -34.652 253 2HB LEU 35 2HB LEU 35 -5.247 9.810 -35.298 254 HG LEU 35 HG LEU 35 -2.844 10.037 -35.472 255 1HD1 LEU 35 1HD1 LEU 35 -2.541 12.171 -34.353 256 2HD1 LEU 35 2HD1 LEU 35 -3.949 11.854 -33.339 257 3HD1 LEU 35 3HD1 LEU 35 -4.143 12.063 -35.080 258 1HD2 LEU 35 1HD2 LEU 35 -2.801 9.755 -32.475 259 2HD2 LEU 35 2HD2 LEU 35 -1.419 10.131 -33.505 260 3HD2 LEU 35 3HD2 LEU 35 -2.217 8.562 -33.638 261 H ASP 36 H ASP 36 -7.717 9.200 -34.277 262 HA ASP 36 HA ASP 36 -8.353 11.882 -34.907 263 1HB ASP 36 1HB ASP 36 -9.274 9.916 -36.122 264 2HB ASP 36 2HB ASP 36 -10.255 9.538 -34.710 265 H ASP 37 H ASP 37 -9.094 9.832 -32.182 266 HA ASP 37 HA ASP 37 -10.982 11.547 -30.940 267 1HB ASP 37 1HB ASP 37 -9.159 9.419 -29.789 268 2HB ASP 37 2HB ASP 37 -10.430 10.224 -28.877 269 H MET 38 H MET 38 -7.484 11.138 -30.647 270 HA MET 38 HA MET 38 -7.033 12.981 -28.572 271 1HB MET 38 1HB MET 38 -5.158 12.291 -30.841 272 2HB MET 38 2HB MET 38 -4.704 12.974 -29.288 273 1HG MET 38 1HG MET 38 -5.432 10.933 -28.176 274 2HG MET 38 2HG MET 38 -5.895 10.250 -29.733 275 1HE MET 38 1HE MET 38 -2.757 12.450 -28.796 276 2HE MET 38 2HE MET 38 -1.562 11.193 -28.471 277 3HE MET 38 3HE MET 38 -2.961 11.371 -27.414 278 H PHE 39 H PHE 39 -7.113 13.342 -32.069 279 HA PHE 39 HA PHE 39 -6.155 15.993 -32.181 280 1HB PHE 39 1HB PHE 39 -6.196 14.348 -34.072 281 2HB PHE 39 2HB PHE 39 -7.933 14.602 -34.191 282 HD1 PHE 39 HD1 PHE 39 -4.693 16.412 -34.324 283 HD2 PHE 39 HD2 PHE 39 -8.769 16.303 -35.529 284 HE1 PHE 39 HE1 PHE 39 -4.295 18.322 -35.825 285 HE2 PHE 39 HE2 PHE 39 -8.382 18.212 -37.030 286 HZ PHE 39 HZ PHE 39 -6.144 19.224 -37.182 287 H GLU 40 H GLU 40 -9.176 14.733 -31.247 288 HA GLU 40 HA GLU 40 -10.693 17.087 -31.935 289 1HB GLU 40 1HB GLU 40 -11.277 14.421 -31.033 290 2HB GLU 40 2HB GLU 40 -12.120 15.596 -30.030 291 1HG GLU 40 1HG GLU 40 -12.248 15.397 -33.029 292 2HG GLU 40 2HG GLU 40 -13.505 14.912 -31.887 293 H GLY 41 H GLY 41 -8.583 16.248 -29.443 294 1HA GLY 41 1HA GLY 41 -7.922 17.998 -27.926 295 2HA GLY 41 2HA GLY 41 -9.596 18.530 -27.875 296 H GLU 42 H GLU 42 -9.924 15.328 -27.759 297 HA GLU 42 HA GLU 42 -9.651 15.239 -24.829 298 1HB GLU 42 1HB GLU 42 -11.934 14.819 -25.673 299 2HB GLU 42 2HB GLU 42 -11.328 13.489 -26.650 300 1HG GLU 42 1HG GLU 42 -10.746 12.234 -24.701 301 2HG GLU 42 2HG GLU 42 -11.127 13.598 -23.654 302 H LYS 43 H LYS 43 -7.905 14.289 -24.169 303 HA LYS 43 HA LYS 43 -6.708 12.222 -25.862 304 1HB LYS 43 1HB LYS 43 -4.529 13.064 -25.440 305 2HB LYS 43 2HB LYS 43 -5.519 14.426 -25.921 306 1HG LYS 43 1HG LYS 43 -4.537 13.752 -23.164 307 2HG LYS 43 2HG LYS 43 -4.069 15.117 -24.168 308 1HD LYS 43 1HD LYS 43 -6.372 15.997 -23.976 309 2HD LYS 43 2HD LYS 43 -6.760 14.648 -22.901 310 1HE LYS 43 1HE LYS 43 -4.661 15.480 -21.601 311 2HE LYS 43 2HE LYS 43 -4.999 16.995 -22.435 312 1HZ LYS 43 1HZ LYS 43 -6.072 16.971 -20.304 313 2HZ LYS 43 2HZ LYS 43 -6.855 15.511 -20.659 314 3HZ LYS 43 3HZ LYS 43 -7.256 16.921 -21.519 315 H VAL 44 H VAL 44 -7.153 10.377 -24.886 316 HA VAL 44 HA VAL 44 -6.031 9.822 -22.315 317 HB VAL 44 HB VAL 44 -7.955 10.791 -21.378 318 1HG1 VAL 44 1HG1 VAL 44 -9.232 11.053 -23.420 319 2HG1 VAL 44 2HG1 VAL 44 -10.229 10.356 -22.142 320 3HG1 VAL 44 3HG1 VAL 44 -9.601 9.328 -23.431 321 1HG2 VAL 44 1HG2 VAL 44 -8.545 7.845 -21.632 322 2HG2 VAL 44 2HG2 VAL 44 -9.225 8.931 -20.420 323 3HG2 VAL 44 3HG2 VAL 44 -7.492 8.600 -20.434 324 H ALA 45 H ALA 45 -5.356 7.809 -22.337 325 HA ALA 45 HA ALA 45 -6.459 5.996 -24.358 326 1HB ALA 45 1HB ALA 45 -4.422 4.684 -24.057 327 2HB ALA 45 2HB ALA 45 -3.899 5.775 -22.776 328 3HB ALA 45 3HB ALA 45 -4.030 6.363 -24.433 329 H VAL 46 H VAL 46 -7.401 4.108 -23.809 330 HA VAL 46 HA VAL 46 -7.779 3.646 -20.921 331 HB VAL 46 HB VAL 46 -9.686 2.916 -23.157 332 1HG1 VAL 46 1HG1 VAL 46 -11.262 2.420 -21.356 333 2HG1 VAL 46 2HG1 VAL 46 -10.006 2.764 -20.166 334 3HG1 VAL 46 3HG1 VAL 46 -9.826 1.400 -21.272 335 1HG2 VAL 46 1HG2 VAL 46 -11.128 4.696 -22.273 336 2HG2 VAL 46 2HG2 VAL 46 -9.595 5.323 -22.880 337 3HG2 VAL 46 3HG2 VAL 46 -9.851 5.154 -21.144 338 H CYS 47 H CYS 47 -6.906 1.839 -20.185 339 HA CYS 47 HA CYS 47 -6.073 -0.208 -22.077 340 1HB CYS 47 1HB CYS 47 -4.611 0.655 -20.165 341 2HB CYS 47 2HB CYS 47 -5.680 -0.229 -19.088 342 HA PRO 48 HA PRO 48 -9.730 -2.547 -20.976 343 1HB PRO 48 1HB PRO 48 -9.254 -4.600 -22.695 344 2HB PRO 48 2HB PRO 48 -9.964 -3.065 -23.198 345 1HG PRO 48 1HG PRO 48 -7.194 -4.068 -23.543 346 2HG PRO 48 2HG PRO 48 -8.160 -3.035 -24.608 347 1HD PRO 48 1HD PRO 48 -6.163 -2.152 -22.908 348 2HD PRO 48 2HD PRO 48 -7.457 -1.137 -23.572 349 H SER 49 H SER 49 -10.114 -4.501 -19.884 350 HA SER 49 HA SER 49 -9.678 -6.453 -18.770 351 1HB SER 49 1HB SER 49 -7.762 -7.011 -20.214 352 2HB SER 49 2HB SER 49 -6.733 -5.933 -19.274 353 HG SER 49 HG SER 49 -6.523 -7.432 -17.822 354 H CYS 50 H CYS 50 -7.150 -3.997 -18.012 355 HA CYS 50 HA CYS 50 -7.878 -4.268 -15.197 356 1HB CYS 50 1HB CYS 50 -6.009 -2.834 -14.699 357 2HB CYS 50 2HB CYS 50 -5.475 -4.035 -15.868 358 H SER 51 H SER 51 -8.331 -2.172 -17.895 359 HA SER 51 HA SER 51 -9.856 -0.566 -18.331 360 1HB SER 51 1HB SER 51 -10.982 -1.257 -15.609 361 2HB SER 51 2HB SER 51 -11.799 -0.308 -16.854 362 HG SER 51 HG SER 51 -11.177 -3.053 -16.817 363 H LEU 52 H LEU 52 -7.445 0.306 -17.588 364 HA LEU 52 HA LEU 52 -7.863 2.434 -15.620 365 1HB LEU 52 1HB LEU 52 -5.849 0.678 -15.745 366 2HB LEU 52 2HB LEU 52 -5.202 1.881 -16.839 367 HG LEU 52 HG LEU 52 -6.044 2.471 -14.001 368 1HD1 LEU 52 1HD1 LEU 52 -3.656 2.486 -13.477 369 2HD1 LEU 52 2HD1 LEU 52 -3.295 1.934 -15.113 370 3HD1 LEU 52 3HD1 LEU 52 -4.196 0.893 -14.008 371 1HD2 LEU 52 1HD2 LEU 52 -6.044 4.403 -15.528 372 2HD2 LEU 52 2HD2 LEU 52 -4.358 4.066 -15.925 373 3HD2 LEU 52 3HD2 LEU 52 -4.803 4.525 -14.281 374 H MET 53 H MET 53 -7.820 4.521 -16.239 375 HA MET 53 HA MET 53 -7.421 5.091 -19.103 376 1HB MET 53 1HB MET 53 -9.281 6.444 -17.141 377 2HB MET 53 2HB MET 53 -9.076 6.903 -18.826 378 1HG MET 53 1HG MET 53 -10.103 4.978 -19.610 379 2HG MET 53 2HG MET 53 -9.886 4.133 -18.077 380 1HE MET 53 1HE MET 53 -12.539 5.817 -15.787 381 2HE MET 53 2HE MET 53 -10.838 6.259 -15.945 382 3HE MET 53 3HE MET 53 -11.310 4.560 -15.934 383 H ILE 54 H ILE 54 -6.134 6.791 -19.664 384 HA ILE 54 HA ILE 54 -5.049 8.502 -17.552 385 HB ILE 54 HB ILE 54 -2.710 8.074 -18.397 386 1HG1 ILE 54 1HG1 ILE 54 -2.495 5.647 -19.337 387 2HG1 ILE 54 2HG1 ILE 54 -4.161 5.875 -19.856 388 1HG2 ILE 54 1HG2 ILE 54 -4.123 5.709 -17.173 389 2HG2 ILE 54 2HG2 ILE 54 -3.611 7.151 -16.298 390 3HG2 ILE 54 3HG2 ILE 54 -2.405 6.095 -17.035 391 1HD1 ILE 54 1HD1 ILE 54 -1.815 7.576 -20.664 392 2HD1 ILE 54 2HD1 ILE 54 -3.483 7.782 -21.202 393 3HD1 ILE 54 3HD1 ILE 54 -2.586 6.329 -21.647 394 H ASP 55 H ASP 55 -4.275 10.507 -18.272 395 HA ASP 55 HA ASP 55 -5.162 11.330 -20.905 396 1HB ASP 55 1HB ASP 55 -3.850 12.745 -18.595 397 2HB ASP 55 2HB ASP 55 -3.896 13.507 -20.176 398 H VAL 56 H VAL 56 -3.814 12.092 -22.572 399 HA VAL 56 HA VAL 56 -0.940 11.609 -22.214 400 HB VAL 56 HB VAL 56 -1.667 9.711 -23.457 401 1HG1 VAL 56 1HG1 VAL 56 -2.923 9.851 -25.541 402 2HG1 VAL 56 2HG1 VAL 56 -3.017 11.604 -25.377 403 3HG1 VAL 56 3HG1 VAL 56 -3.830 10.565 -24.207 404 1HG2 VAL 56 1HG2 VAL 56 0.416 10.619 -24.227 405 2HG2 VAL 56 2HG2 VAL 56 -0.422 11.753 -25.286 406 3HG2 VAL 56 3HG2 VAL 56 -0.493 10.022 -25.617 407 H VAL 57 H VAL 57 0.000 13.493 -22.328 408 HA VAL 57 HA VAL 57 -1.167 15.815 -23.461 409 HB VAL 57 HB VAL 57 1.734 15.392 -22.700 410 1HG1 VAL 57 1HG1 VAL 57 1.807 17.817 -22.439 411 2HG1 VAL 57 2HG1 VAL 57 0.124 17.935 -22.954 412 3HG1 VAL 57 3HG1 VAL 57 1.358 17.379 -24.086 413 1HG2 VAL 57 1HG2 VAL 57 -0.549 16.430 -21.024 414 2HG2 VAL 57 2HG2 VAL 57 1.143 16.344 -20.535 415 3HG2 VAL 57 3HG2 VAL 57 0.238 14.860 -20.841 416 H PHE 58 H PHE 58 -1.361 16.226 -25.552 417 HA PHE 58 HA PHE 58 0.563 14.985 -27.397 418 1HB PHE 58 1HB PHE 58 -1.198 15.070 -29.082 419 2HB PHE 58 2HB PHE 58 -1.769 14.229 -27.646 420 HD1 PHE 58 HD1 PHE 58 -3.442 15.258 -26.187 421 HD2 PHE 58 HD2 PHE 58 -2.147 17.179 -29.757 422 HE1 PHE 58 HE1 PHE 58 -5.380 16.767 -26.073 423 HE2 PHE 58 HE2 PHE 58 -4.086 18.696 -29.646 424 HZ PHE 58 HZ PHE 58 -5.702 18.489 -27.802 425 H ASP 59 H ASP 59 1.128 16.137 -29.325 426 HA ASP 59 HA ASP 59 0.888 19.068 -29.106 427 1HB ASP 59 1HB ASP 59 3.231 18.166 -28.941 428 2HB ASP 59 2HB ASP 59 3.055 17.534 -30.564 429 H LYS 60 H LYS 60 0.354 20.196 -30.993 430 HA LYS 60 HA LYS 60 -1.378 18.863 -32.775 431 1HB LYS 60 1HB LYS 60 -0.081 21.585 -32.945 432 2HB LYS 60 2HB LYS 60 -1.236 21.002 -34.130 433 1HG LYS 60 1HG LYS 60 -2.483 22.336 -32.679 434 2HG LYS 60 2HG LYS 60 -2.836 20.683 -32.171 435 1HD LYS 60 1HD LYS 60 -1.187 20.890 -30.375 436 2HD LYS 60 2HD LYS 60 -0.838 22.542 -30.886 437 1HE LYS 60 1HE LYS 60 -3.169 23.159 -30.428 438 2HE LYS 60 2HE LYS 60 -3.485 21.513 -29.881 439 1HZ LYS 60 1HZ LYS 60 -1.563 23.420 -28.652 440 2HZ LYS 60 2HZ LYS 60 -1.835 21.826 -28.132 441 3HZ LYS 60 3HZ LYS 60 -3.074 22.975 -28.015 442 H GLU 61 H GLU 61 2.015 19.728 -32.966 443 HA GLU 61 HA GLU 61 2.139 19.048 -35.785 444 1HB GLU 61 1HB GLU 61 4.306 19.898 -33.854 445 2HB GLU 61 2HB GLU 61 4.532 19.656 -35.583 446 1HG GLU 61 1HG GLU 61 2.918 21.434 -36.044 447 2HG GLU 61 2HG GLU 61 2.694 21.674 -34.312 448 H ASP 62 H ASP 62 2.859 17.622 -32.683 449 HA ASP 62 HA ASP 62 4.321 15.396 -33.638 450 1HB ASP 62 1HB ASP 62 2.866 16.075 -31.159 451 2HB ASP 62 2HB ASP 62 3.001 14.354 -31.506 452 H LEU 63 H LEU 63 0.853 15.882 -33.037 453 HA LEU 63 HA LEU 63 -0.055 13.356 -33.750 454 1HB LEU 63 1HB LEU 63 -1.423 16.012 -34.188 455 2HB LEU 63 2HB LEU 63 -2.209 14.452 -34.290 456 HG LEU 63 HG LEU 63 -1.013 15.690 -31.814 457 1HD1 LEU 63 1HD1 LEU 63 -3.864 15.089 -32.587 458 2HD1 LEU 63 2HD1 LEU 63 -3.124 16.688 -32.509 459 3HD1 LEU 63 3HD1 LEU 63 -3.327 15.739 -31.036 460 1HD2 LEU 63 1HD2 LEU 63 -1.909 13.751 -30.633 461 2HD2 LEU 63 2HD2 LEU 63 -0.694 13.273 -31.818 462 3HD2 LEU 63 3HD2 LEU 63 -2.406 13.039 -32.169 463 H ALA 64 H ALA 64 0.367 16.223 -35.819 464 HA ALA 64 HA ALA 64 -0.496 15.034 -38.210 465 1HB ALA 64 1HB ALA 64 1.479 17.286 -37.863 466 2HB ALA 64 2HB ALA 64 -0.277 17.452 -37.900 467 3HB ALA 64 3HB ALA 64 0.586 16.897 -39.334 468 H GLU 65 H GLU 65 2.661 15.111 -36.661 469 HA GLU 65 HA GLU 65 4.129 14.128 -38.885 470 1HB GLU 65 1HB GLU 65 5.117 15.379 -36.987 471 2HB GLU 65 2HB GLU 65 4.811 13.996 -35.947 472 1HG GLU 65 1HG GLU 65 6.380 12.657 -37.129 473 2HG GLU 65 2HG GLU 65 6.532 13.863 -38.407 474 H TYR 66 H TYR 66 2.985 12.540 -35.893 475 HA TYR 66 HA TYR 66 3.795 9.948 -36.663 476 1HB TYR 66 1HB TYR 66 1.735 10.889 -34.667 477 2HB TYR 66 2HB TYR 66 2.147 9.191 -34.888 478 HD1 TYR 66 HD1 TYR 66 4.624 8.540 -34.574 479 HD2 TYR 66 HD2 TYR 66 2.990 12.221 -33.208 480 HE1 TYR 66 HE1 TYR 66 6.508 8.789 -33.012 481 HE2 TYR 66 HE2 TYR 66 4.868 12.481 -31.643 482 HH TYR 66 HH TYR 66 6.539 11.202 -30.538 483 H TYR 67 H TYR 67 0.815 11.748 -37.164 484 HA TYR 67 HA TYR 67 -0.822 9.784 -38.224 485 1HB TYR 67 1HB TYR 67 -2.001 11.718 -38.107 486 2HB TYR 67 2HB TYR 67 -0.596 12.714 -38.450 487 HD1 TYR 67 HD1 TYR 67 -2.963 10.383 -40.198 488 HD2 TYR 67 HD2 TYR 67 -0.492 13.840 -40.450 489 HE1 TYR 67 HE1 TYR 67 -3.782 10.801 -42.478 490 HE2 TYR 67 HE2 TYR 67 -1.307 14.263 -42.730 491 HH TYR 67 HH TYR 67 -2.389 13.315 -44.501 492 H GLU 68 H GLU 68 1.653 11.712 -39.882 493 HA GLU 68 HA GLU 68 1.151 10.581 -42.440 494 1HB GLU 68 1HB GLU 68 2.252 12.781 -42.057 495 2HB GLU 68 2HB GLU 68 3.666 11.931 -41.449 496 1HG GLU 68 1HG GLU 68 4.007 10.891 -43.605 497 2HG GLU 68 2HG GLU 68 2.543 11.649 -44.229 498 H GLU 69 H GLU 69 3.495 9.903 -39.886 499 HA GLU 69 HA GLU 69 5.016 7.958 -41.195 500 1HB GLU 69 1HB GLU 69 4.325 8.209 -38.262 501 2HB GLU 69 2HB GLU 69 5.576 7.153 -38.905 502 1HG GLU 69 1HG GLU 69 5.531 10.151 -39.155 503 2HG GLU 69 2HG GLU 69 6.470 9.237 -37.977 504 H ALA 70 H ALA 70 2.059 7.626 -39.260 505 HA ALA 70 HA ALA 70 2.041 4.754 -39.537 506 1HB ALA 70 1HB ALA 70 1.231 5.864 -37.506 507 2HB ALA 70 2HB ALA 70 -0.002 4.840 -38.240 508 3HB ALA 70 3HB ALA 70 -0.078 6.592 -38.436 509 H GLY 71 H GLY 71 0.567 7.459 -41.177 510 1HA GLY 71 1HA GLY 71 -0.490 7.470 -43.240 511 2HA GLY 71 2HA GLY 71 -0.361 5.717 -43.280 512 H ILE 72 H ILE 72 -1.979 8.157 -41.285 513 HA ILE 72 HA ILE 72 -4.259 6.363 -40.965 514 HB ILE 72 HB ILE 72 -4.000 9.074 -39.686 515 1HG1 ILE 72 1HG1 ILE 72 -2.732 6.508 -38.688 516 2HG1 ILE 72 2HG1 ILE 72 -1.861 7.902 -39.313 517 1HG2 ILE 72 1HG2 ILE 72 -5.255 6.497 -38.759 518 2HG2 ILE 72 2HG2 ILE 72 -6.115 7.874 -39.448 519 3HG2 ILE 72 3HG2 ILE 72 -5.291 8.036 -37.896 520 1HD1 ILE 72 1HD1 ILE 72 -2.647 9.250 -37.452 521 2HD1 ILE 72 2HD1 ILE 72 -1.812 7.805 -36.879 522 3HD1 ILE 72 3HD1 ILE 72 -3.574 7.880 -36.839 523 H HIS 73 H HIS 73 -6.481 7.380 -41.101 524 HA HIS 73 HA HIS 73 -7.037 8.548 -43.566 525 1HB HIS 73 1HB HIS 73 -8.765 7.424 -42.280 526 2HB HIS 73 2HB HIS 73 -8.635 8.616 -40.995 527 HD1 HIS 73 HD1 HIS 73 -9.887 10.821 -41.291 528 HD2 HIS 73 HD2 HIS 73 -10.163 8.306 -44.593 529 HE1 HIS 73 HE1 HIS 73 -11.651 11.835 -42.771 530 HE2 HIS 73 HE2 HIS 73 -11.957 10.177 -44.641 531 HA PRO 74 HA PRO 74 -5.525 12.661 -43.197 532 1HB PRO 74 1HB PRO 74 -7.297 13.842 -44.981 533 2HB PRO 74 2HB PRO 74 -5.788 13.033 -45.413 534 1HG PRO 74 1HG PRO 74 -8.583 11.983 -45.465 535 2HG PRO 74 2HG PRO 74 -7.260 11.719 -46.616 536 1HD PRO 74 1HD PRO 74 -7.936 9.843 -44.836 537 2HD PRO 74 2HD PRO 74 -6.235 10.128 -45.265 538 HA PRO 75 HA PRO 75 -8.530 14.667 -40.486 539 1HB PRO 75 1HB PRO 75 -6.369 15.824 -39.075 540 2HB PRO 75 2HB PRO 75 -7.311 14.413 -38.592 541 1HG PRO 75 1HG PRO 75 -4.609 14.413 -39.303 542 2HG PRO 75 2HG PRO 75 -5.655 12.990 -39.181 543 1HD PRO 75 1HD PRO 75 -4.822 14.536 -41.594 544 2HD PRO 75 2HD PRO 75 -5.105 12.790 -41.412 545 H GLU 76 H GLU 76 -8.719 17.038 -39.913 546 HA GLU 76 HA GLU 76 -8.257 18.615 -42.246 547 1HB GLU 76 1HB GLU 76 -9.128 19.424 -39.465 548 2HB GLU 76 2HB GLU 76 -9.141 20.488 -40.864 549 1HG GLU 76 1HG GLU 76 -10.776 19.073 -41.956 550 2HG GLU 76 2HG GLU 76 -10.733 17.950 -40.596 551 HA PRO 77 HA PRO 77 -4.072 19.688 -41.519 552 1HB PRO 77 1HB PRO 77 -4.669 22.163 -43.022 553 2HB PRO 77 2HB PRO 77 -3.489 20.894 -43.360 554 1HG PRO 77 1HG PRO 77 -5.717 21.125 -44.814 555 2HG PRO 77 2HG PRO 77 -5.047 19.535 -44.400 556 1HD PRO 77 1HD PRO 77 -7.371 20.986 -43.191 557 2HD PRO 77 2HD PRO 77 -7.190 19.259 -43.565 558 H ILE 78 H ILE 78 -2.893 20.831 -40.130 559 HA ILE 78 HA ILE 78 -4.305 22.705 -38.406 560 HB ILE 78 HB ILE 78 -2.330 22.555 -36.936 561 1HG1 ILE 78 1HG1 ILE 78 -1.304 20.483 -38.888 562 2HG1 ILE 78 2HG1 ILE 78 -0.680 22.126 -38.778 563 1HG2 ILE 78 1HG2 ILE 78 -2.638 20.206 -36.268 564 2HG2 ILE 78 2HG2 ILE 78 -3.494 19.908 -37.781 565 3HG2 ILE 78 3HG2 ILE 78 -4.164 21.027 -36.595 566 1HD1 ILE 78 1HD1 ILE 78 -0.609 20.056 -36.594 567 2HD1 ILE 78 2HD1 ILE 78 0.010 21.703 -36.477 568 3HD1 ILE 78 3HD1 ILE 78 0.749 20.562 -37.600 569 H ALA 79 H ALA 79 -3.531 24.782 -37.926 570 HA ALA 79 HA ALA 79 -1.819 25.924 -40.014 571 1HB ALA 79 1HB ALA 79 -3.744 27.295 -38.140 572 2HB ALA 79 2HB ALA 79 -4.027 26.931 -39.843 573 3HB ALA 79 3HB ALA 79 -2.779 28.090 -39.384 574 H ALA 80 H ALA 80 0.187 25.427 -39.174 575 HA ALA 80 HA ALA 80 0.821 26.051 -36.432 576 1HB ALA 80 1HB ALA 80 1.811 24.087 -37.459 577 2HB ALA 80 2HB ALA 80 3.064 25.232 -36.981 578 3HB ALA 80 3HB ALA 80 2.594 25.097 -38.675 579 H ALA 81 H ALA 81 0.785 27.726 -39.366 580 HA ALA 81 HA ALA 81 2.856 29.608 -38.802 581 1HB ALA 81 1HB ALA 81 2.079 29.207 -41.089 582 2HB ALA 81 2HB ALA 81 1.902 30.904 -40.640 583 3HB ALA 81 3HB ALA 81 0.491 29.844 -40.662 584 H ALA 82 H ALA 82 2.549 30.364 -36.754 585 HA ALA 82 HA ALA 82 0.415 32.328 -36.444 586 1HB ALA 82 1HB ALA 82 1.000 30.175 -34.408 587 2HB ALA 82 2HB ALA 82 -0.477 30.346 -35.357 588 3HB ALA 82 3HB ALA 82 -0.060 31.561 -34.150 Start of MODEL 7 1 1H MET 1 1H MET 1 -8.600 6.526 -10.976 2 HA MET 1 HA MET 1 -11.307 5.553 -10.498 3 1HB MET 1 1HB MET 1 -10.617 6.482 -8.372 4 2HB MET 1 2HB MET 1 -10.010 7.931 -9.163 5 1HG MET 1 1HG MET 1 -12.290 8.506 -9.836 6 2HG MET 1 2HG MET 1 -12.881 7.066 -9.011 7 1HE MET 1 1HE MET 1 -14.068 10.117 -6.775 8 2HE MET 1 2HE MET 1 -14.607 8.716 -7.701 9 3HE MET 1 3HE MET 1 -13.897 10.101 -8.531 10 H SER 2 H SER 2 -9.286 8.215 -11.449 11 HA SER 2 HA SER 2 -10.810 8.567 -13.889 12 1HB SER 2 1HB SER 2 -10.227 10.862 -11.985 13 2HB SER 2 2HB SER 2 -10.949 11.017 -13.586 14 HG SER 2 HG SER 2 -12.376 9.224 -12.275 15 H THR 3 H THR 3 -9.460 10.488 -15.151 16 HA THR 3 HA THR 3 -6.848 9.347 -15.353 17 HB THR 3 HB THR 3 -6.427 11.221 -16.999 18 HG1 THR 3 HG1 THR 3 -8.018 12.594 -17.463 19 1HG2 THR 3 1HG2 THR 3 -7.060 8.940 -17.605 20 2HG2 THR 3 2HG2 THR 3 -7.753 10.120 -18.720 21 3HG2 THR 3 3HG2 THR 3 -8.765 9.376 -17.480 22 H TYR 4 H TYR 4 -5.745 9.653 -13.542 23 HA TYR 4 HA TYR 4 -5.180 12.425 -12.752 24 1HB TYR 4 1HB TYR 4 -5.297 9.873 -11.194 25 2HB TYR 4 2HB TYR 4 -4.290 11.201 -10.620 26 HD1 TYR 4 HD1 TYR 4 -5.351 13.417 -10.142 27 HD2 TYR 4 HD2 TYR 4 -7.658 9.925 -10.901 28 HE1 TYR 4 HE1 TYR 4 -7.313 14.508 -9.145 29 HE2 TYR 4 HE2 TYR 4 -9.630 11.005 -9.896 30 HH TYR 4 HH TYR 4 -9.766 14.339 -9.258 31 H ASP 5 H ASP 5 -3.901 9.697 -14.247 32 HA ASP 5 HA ASP 5 -1.150 10.537 -13.700 33 1HB ASP 5 1HB ASP 5 -2.293 8.077 -15.030 34 2HB ASP 5 2HB ASP 5 -0.580 8.472 -15.083 35 H GLU 6 H GLU 6 -0.043 11.669 -15.141 36 HA GLU 6 HA GLU 6 -1.308 12.141 -17.755 37 1HB GLU 6 1HB GLU 6 -1.664 13.991 -16.094 38 2HB GLU 6 2HB GLU 6 0.079 14.208 -16.038 39 1HG GLU 6 1HG GLU 6 0.098 14.802 -18.390 40 2HG GLU 6 2HG GLU 6 -1.646 14.543 -18.479 41 H ILE 7 H ILE 7 0.009 11.289 -19.226 42 HA ILE 7 HA ILE 7 2.918 11.435 -18.742 43 HB ILE 7 HB ILE 7 1.605 9.477 -20.620 44 1HG1 ILE 7 1HG1 ILE 7 2.207 7.888 -18.544 45 2HG1 ILE 7 2HG1 ILE 7 1.799 9.356 -17.659 46 1HG2 ILE 7 1HG2 ILE 7 4.262 9.501 -19.207 47 2HG2 ILE 7 2HG2 ILE 7 3.974 9.793 -20.922 48 3HG2 ILE 7 3HG2 ILE 7 3.669 8.197 -20.235 49 1HD1 ILE 7 1HD1 ILE 7 -0.377 9.413 -18.727 50 2HD1 ILE 7 2HD1 ILE 7 -0.123 7.877 -17.896 51 3HD1 ILE 7 3HD1 ILE 7 0.029 7.969 -19.654 52 H GLU 8 H GLU 8 4.266 11.996 -20.448 53 HA GLU 8 HA GLU 8 3.210 13.691 -22.472 54 1HB GLU 8 1HB GLU 8 5.944 12.468 -22.058 55 2HB GLU 8 2HB GLU 8 5.573 13.577 -23.369 56 1HG GLU 8 1HG GLU 8 5.255 14.239 -20.455 57 2HG GLU 8 2HG GLU 8 6.682 14.627 -21.418 58 H ILE 9 H ILE 9 2.896 13.286 -24.646 59 HA ILE 9 HA ILE 9 2.467 10.659 -25.572 60 HB ILE 9 HB ILE 9 1.491 12.742 -26.592 61 1HG1 ILE 9 1HG1 ILE 9 2.947 11.046 -28.615 62 2HG1 ILE 9 2HG1 ILE 9 1.556 10.473 -27.700 63 1HG2 ILE 9 1HG2 ILE 9 2.779 13.966 -28.258 64 2HG2 ILE 9 2HG2 ILE 9 4.205 12.997 -27.879 65 3HG2 ILE 9 3HG2 ILE 9 3.530 14.087 -26.668 66 1HD1 ILE 9 1HD1 ILE 9 0.168 12.201 -28.682 67 2HD1 ILE 9 2HD1 ILE 9 0.957 11.256 -29.944 68 3HD1 ILE 9 3HD1 ILE 9 1.564 12.860 -29.535 69 H GLU 10 H GLU 10 5.207 12.726 -25.430 70 HA GLU 10 HA GLU 10 7.097 11.464 -27.013 71 1HB GLU 10 1HB GLU 10 7.338 13.619 -25.762 72 2HB GLU 10 2HB GLU 10 7.523 12.694 -24.282 73 1HG GLU 10 1HG GLU 10 9.685 13.302 -24.941 74 2HG GLU 10 2HG GLU 10 9.521 11.600 -25.365 75 H ASP 11 H ASP 11 5.733 10.443 -23.954 76 HA ASP 11 HA ASP 11 7.856 8.474 -23.560 77 1HB ASP 11 1HB ASP 11 7.143 9.857 -21.629 78 2HB ASP 11 2HB ASP 11 5.534 9.151 -21.744 79 H MET 12 H MET 12 4.328 8.630 -23.998 80 HA MET 12 HA MET 12 3.853 5.868 -23.960 81 1HB MET 12 1HB MET 12 2.420 8.097 -25.398 82 2HB MET 12 2HB MET 12 1.853 6.432 -25.414 83 1HG MET 12 1HG MET 12 1.805 6.534 -22.907 84 2HG MET 12 2HG MET 12 2.114 8.264 -23.048 85 1HE MET 12 1HE MET 12 -0.377 5.345 -23.934 86 2HE MET 12 2HE MET 12 -0.017 6.076 -25.501 87 3HE MET 12 3HE MET 12 -1.633 6.225 -24.812 88 H THR 13 H THR 13 3.664 4.332 -25.605 89 HA THR 13 HA THR 13 5.662 4.723 -27.686 90 HB THR 13 HB THR 13 4.180 2.189 -26.967 91 HG1 THR 13 HG1 THR 13 6.066 3.572 -25.592 92 1HG2 THR 13 1HG2 THR 13 6.794 2.684 -28.407 93 2HG2 THR 13 2HG2 THR 13 5.293 2.109 -29.136 94 3HG2 THR 13 3HG2 THR 13 6.155 1.098 -27.976 95 H PHE 14 H PHE 14 5.132 5.165 -29.726 96 HA PHE 14 HA PHE 14 2.407 5.206 -30.566 97 1HB PHE 14 1HB PHE 14 3.310 5.948 -32.740 98 2HB PHE 14 2HB PHE 14 3.951 6.888 -31.402 99 HD1 PHE 14 HD1 PHE 14 4.725 4.746 -34.191 100 HD2 PHE 14 HD2 PHE 14 6.296 6.462 -30.622 101 HE1 PHE 14 HE1 PHE 14 7.009 4.298 -34.984 102 HE2 PHE 14 HE2 PHE 14 8.583 6.008 -31.409 103 HZ PHE 14 HZ PHE 14 8.940 4.927 -33.592 104 H GLU 15 H GLU 15 1.302 3.784 -31.787 105 HA GLU 15 HA GLU 15 2.735 1.359 -32.636 106 1HB GLU 15 1HB GLU 15 1.228 0.915 -30.749 107 2HB GLU 15 2HB GLU 15 -0.116 1.598 -31.651 108 1HG GLU 15 1HG GLU 15 -0.089 -0.871 -31.614 109 2HG GLU 15 2HG GLU 15 -0.036 -0.189 -33.240 110 HA PRO 16 HA PRO 16 1.247 3.457 -36.407 111 1HB PRO 16 1HB PRO 16 3.128 2.363 -38.047 112 2HB PRO 16 2HB PRO 16 3.422 3.792 -37.050 113 1HG PRO 16 1HG PRO 16 4.176 0.941 -36.551 114 2HG PRO 16 2HG PRO 16 5.119 2.416 -36.271 115 1HD PRO 16 1HD PRO 16 3.836 1.102 -34.281 116 2HD PRO 16 2HD PRO 16 4.064 2.862 -34.271 117 H GLU 17 H GLU 17 1.562 0.119 -35.604 118 HA GLU 17 HA GLU 17 0.635 -1.001 -38.044 119 1HB GLU 17 1HB GLU 17 0.674 -2.042 -35.215 120 2HB GLU 17 2HB GLU 17 0.090 -2.996 -36.571 121 1HG GLU 17 1HG GLU 17 2.282 -2.837 -37.629 122 2HG GLU 17 2HG GLU 17 2.867 -1.878 -36.270 123 H ASN 18 H ASN 18 -0.954 0.392 -35.280 124 HA ASN 18 HA ASN 18 -3.548 -0.369 -36.458 125 1HB ASN 18 1HB ASN 18 -2.890 -1.326 -34.152 126 2HB ASN 18 2HB ASN 18 -3.165 0.301 -33.550 127 1HD2 ASN 18 1HD2 ASN 18 -4.976 -1.213 -36.123 128 2HD2 ASN 18 2HD2 ASN 18 -6.481 -1.284 -35.285 129 H GLN 19 H GLN 19 -1.524 2.074 -36.355 130 HA GLN 19 HA GLN 19 -1.613 4.323 -36.564 131 1HB GLN 19 1HB GLN 19 -4.483 3.663 -37.222 132 2HB GLN 19 2HB GLN 19 -3.844 5.295 -37.310 133 1HG GLN 19 1HG GLN 19 -3.705 4.583 -39.491 134 2HG GLN 19 2HG GLN 19 -2.079 4.275 -38.890 135 1HE2 GLN 19 1HE2 GLN 19 -1.342 2.168 -38.751 136 2HE2 GLN 19 2HE2 GLN 19 -2.231 0.824 -39.384 137 H MET 20 H MET 20 -1.625 3.472 -33.961 138 HA MET 20 HA MET 20 -3.155 5.585 -32.653 139 1HB MET 20 1HB MET 20 -4.018 4.077 -30.920 140 2HB MET 20 2HB MET 20 -4.625 3.628 -32.509 141 1HG MET 20 1HG MET 20 -3.070 1.810 -32.645 142 2HG MET 20 2HG MET 20 -2.300 2.301 -31.141 143 1HE MET 20 1HE MET 20 -4.112 -1.107 -30.316 144 2HE MET 20 2HE MET 20 -2.561 -0.294 -30.516 145 3HE MET 20 3HE MET 20 -3.548 -0.671 -31.933 146 H PHE 21 H PHE 21 -2.547 5.643 -30.247 147 HA PHE 21 HA PHE 21 0.290 4.928 -29.924 148 1HB PHE 21 1HB PHE 21 -1.369 7.044 -28.536 149 2HB PHE 21 2HB PHE 21 0.247 6.587 -28.020 150 HD1 PHE 21 HD1 PHE 21 -1.717 8.262 -30.615 151 HD2 PHE 21 HD2 PHE 21 2.186 7.238 -29.268 152 HE1 PHE 21 HE1 PHE 21 -0.747 9.876 -32.200 153 HE2 PHE 21 HE2 PHE 21 3.162 8.847 -30.849 154 HZ PHE 21 HZ PHE 21 1.694 10.171 -32.317 155 H THR 22 H THR 22 0.929 3.785 -28.089 156 HA THR 22 HA THR 22 -1.228 2.718 -26.416 157 HB THR 22 HB THR 22 -0.340 0.418 -26.670 158 HG1 THR 22 HG1 THR 22 1.476 1.776 -28.299 159 1HG2 THR 22 1HG2 THR 22 -2.267 1.085 -27.998 160 2HG2 THR 22 2HG2 THR 22 -1.237 -0.010 -28.921 161 3HG2 THR 22 3HG2 THR 22 -1.206 1.722 -29.253 162 H TYR 23 H TYR 23 -0.333 1.428 -24.557 163 HA TYR 23 HA TYR 23 2.423 2.046 -23.868 164 1HB TYR 23 1HB TYR 23 0.705 3.861 -23.004 165 2HB TYR 23 2HB TYR 23 0.356 2.643 -21.780 166 HD1 TYR 23 HD1 TYR 23 1.603 2.688 -19.814 167 HD2 TYR 23 HD2 TYR 23 3.276 4.338 -23.363 168 HE1 TYR 23 HE1 TYR 23 3.570 3.436 -18.535 169 HE2 TYR 23 HE2 TYR 23 5.240 5.094 -22.096 170 HH TYR 23 HH TYR 23 5.899 5.614 -19.866 171 HA PRO 24 HA PRO 24 2.102 -2.227 -22.738 172 1HB PRO 24 1HB PRO 24 4.466 -1.519 -21.072 173 2HB PRO 24 2HB PRO 24 4.269 -2.815 -22.257 174 1HG PRO 24 1HG PRO 24 5.690 -0.630 -22.832 175 2HG PRO 24 2HG PRO 24 4.673 -1.415 -24.054 176 1HD PRO 24 1HD PRO 24 4.189 1.095 -22.518 177 2HD PRO 24 2HD PRO 24 3.749 0.688 -24.185 178 H CYS 25 H CYS 25 0.487 -2.690 -21.404 179 HA CYS 25 HA CYS 25 0.715 -1.927 -18.566 180 1HB CYS 25 1HB CYS 25 -1.207 -0.826 -19.526 181 2HB CYS 25 2HB CYS 25 -1.738 -2.316 -20.295 182 HA PRO 26 HA PRO 26 0.513 -6.362 -18.067 183 1HB PRO 26 1HB PRO 26 0.825 -6.439 -15.379 184 2HB PRO 26 2HB PRO 26 2.165 -6.128 -16.482 185 1HG PRO 26 1HG PRO 26 0.759 -4.281 -14.676 186 2HG PRO 26 2HG PRO 26 2.376 -4.149 -15.383 187 1HD PRO 26 1HD PRO 26 -0.041 -2.863 -16.235 188 2HD PRO 26 2HD PRO 26 1.573 -2.744 -16.961 189 H CYS 27 H CYS 27 -1.369 -7.310 -18.282 190 HA CYS 27 HA CYS 27 -3.263 -7.759 -16.327 191 1HB CYS 27 1HB CYS 27 -5.120 -6.339 -16.884 192 2HB CYS 27 2HB CYS 27 -3.739 -5.280 -16.632 193 H GLY 28 H GLY 28 -2.759 -7.093 -19.737 194 1HA GLY 28 1HA GLY 28 -2.862 -9.532 -20.836 195 2HA GLY 28 2HA GLY 28 -4.571 -9.189 -20.589 196 H ASP 29 H ASP 29 -3.706 -6.230 -20.994 197 HA ASP 29 HA ASP 29 -3.250 -6.249 -23.882 198 1HB ASP 29 1HB ASP 29 -5.808 -6.088 -23.046 199 2HB ASP 29 2HB ASP 29 -5.366 -4.385 -22.954 200 H ARG 30 H ARG 30 -3.178 -3.780 -24.591 201 HA ARG 30 HA ARG 30 -1.540 -2.395 -22.563 202 1HB ARG 30 1HB ARG 30 -0.301 -1.378 -24.408 203 2HB ARG 30 2HB ARG 30 -0.246 -3.132 -24.529 204 1HG ARG 30 1HG ARG 30 -2.007 -3.063 -26.229 205 2HG ARG 30 2HG ARG 30 -2.030 -1.302 -26.124 206 1HD ARG 30 1HD ARG 30 -0.693 -1.791 -27.988 207 2HD ARG 30 2HD ARG 30 0.435 -1.382 -26.701 208 HE ARG 30 HE ARG 30 -0.109 -4.210 -26.969 209 1HH1 ARG 30 1HH1 ARG 30 1.937 -1.527 -27.953 210 2HH1 ARG 30 2HH1 ARG 30 3.235 -2.556 -28.499 211 1HH2 ARG 30 1HH2 ARG 30 1.596 -5.543 -27.679 212 2HH2 ARG 30 2HH2 ARG 30 3.039 -4.834 -28.338 213 H PHE 31 H PHE 31 -1.766 -0.100 -22.409 214 HA PHE 31 HA PHE 31 -4.298 1.016 -22.717 215 1HB PHE 31 1HB PHE 31 -1.604 2.397 -22.662 216 2HB PHE 31 2HB PHE 31 -3.142 3.243 -22.566 217 HD1 PHE 31 HD1 PHE 31 -0.605 1.483 -20.764 218 HD2 PHE 31 HD2 PHE 31 -4.656 2.769 -20.617 219 HE1 PHE 31 HE1 PHE 31 -0.599 1.213 -18.319 220 HE2 PHE 31 HE2 PHE 31 -4.659 2.499 -18.173 221 HZ PHE 31 HZ PHE 31 -2.629 1.718 -17.022 222 H GLN 32 H GLN 32 -5.352 2.018 -24.370 223 HA GLN 32 HA GLN 32 -3.866 2.337 -26.893 224 1HB GLN 32 1HB GLN 32 -6.587 1.092 -26.512 225 2HB GLN 32 2HB GLN 32 -5.914 1.526 -28.075 226 1HG GLN 32 1HG GLN 32 -4.115 -0.060 -27.789 227 2HG GLN 32 2HG GLN 32 -4.679 -0.443 -26.163 228 1HE2 GLN 32 1HE2 GLN 32 -7.485 -0.403 -26.907 229 2HE2 GLN 32 2HE2 GLN 32 -7.773 -1.845 -27.806 230 H ILE 33 H ILE 33 -4.121 4.239 -27.847 231 HA ILE 33 HA ILE 33 -6.688 5.606 -27.610 232 HB ILE 33 HB ILE 33 -5.259 6.709 -25.945 233 1HG1 ILE 33 1HG1 ILE 33 -5.703 8.416 -28.405 234 2HG1 ILE 33 2HG1 ILE 33 -6.935 8.010 -27.210 235 1HG2 ILE 33 1HG2 ILE 33 -3.257 7.927 -26.583 236 2HG2 ILE 33 2HG2 ILE 33 -3.434 7.381 -28.250 237 3HG2 ILE 33 3HG2 ILE 33 -3.081 6.214 -26.974 238 1HD1 ILE 33 1HD1 ILE 33 -4.427 9.589 -26.677 239 2HD1 ILE 33 2HD1 ILE 33 -5.698 9.219 -25.511 240 3HD1 ILE 33 3HD1 ILE 33 -6.046 10.256 -26.893 241 H TYR 34 H TYR 34 -7.394 6.314 -29.547 242 HA TYR 34 HA TYR 34 -5.647 5.839 -31.821 243 1HB TYR 34 1HB TYR 34 -8.621 6.214 -31.547 244 2HB TYR 34 2HB TYR 34 -7.820 6.241 -33.115 245 HD1 TYR 34 HD1 TYR 34 -8.709 4.136 -30.232 246 HD2 TYR 34 HD2 TYR 34 -6.946 4.234 -34.102 247 HE1 TYR 34 HE1 TYR 34 -8.803 1.681 -30.336 248 HE2 TYR 34 HE2 TYR 34 -7.034 1.781 -34.213 249 HH TYR 34 HH TYR 34 -7.110 -0.124 -32.641 250 H LEU 35 H LEU 35 -5.494 7.335 -33.547 251 HA LEU 35 HA LEU 35 -4.753 9.889 -32.688 252 1HB LEU 35 1HB LEU 35 -4.298 8.393 -34.902 253 2HB LEU 35 2HB LEU 35 -5.433 9.559 -35.547 254 HG LEU 35 HG LEU 35 -3.099 10.213 -35.933 255 1HD1 LEU 35 1HD1 LEU 35 -3.229 12.505 -35.064 256 2HD1 LEU 35 2HD1 LEU 35 -4.573 12.022 -34.028 257 3HD1 LEU 35 3HD1 LEU 35 -4.752 11.973 -35.782 258 1HD2 LEU 35 1HD2 LEU 35 -2.053 9.212 -34.011 259 2HD2 LEU 35 2HD2 LEU 35 -2.937 10.288 -32.927 260 3HD2 LEU 35 3HD2 LEU 35 -1.722 10.945 -34.025 261 H ASP 36 H ASP 36 -7.717 8.689 -34.112 262 HA ASP 36 HA ASP 36 -8.954 11.113 -34.745 263 1HB ASP 36 1HB ASP 36 -9.869 9.023 -35.532 264 2HB ASP 36 2HB ASP 36 -10.154 8.479 -33.881 265 H ASP 37 H ASP 37 -8.996 9.237 -31.733 266 HA ASP 37 HA ASP 37 -10.790 10.917 -30.348 267 1HB ASP 37 1HB ASP 37 -8.633 9.123 -29.217 268 2HB ASP 37 2HB ASP 37 -9.983 9.802 -28.314 269 H MET 38 H MET 38 -7.320 10.988 -30.792 270 HA MET 38 HA MET 38 -6.854 13.055 -28.862 271 1HB MET 38 1HB MET 38 -5.087 12.278 -31.193 272 2HB MET 38 2HB MET 38 -4.592 13.104 -29.721 273 1HG MET 38 1HG MET 38 -5.259 11.062 -28.449 274 2HG MET 38 2HG MET 38 -5.518 10.259 -29.995 275 1HE MET 38 1HE MET 38 -2.781 12.680 -28.489 276 2HE MET 38 2HE MET 38 -1.474 11.528 -28.208 277 3HE MET 38 3HE MET 38 -2.984 11.380 -27.313 278 H PHE 39 H PHE 39 -7.436 12.902 -32.324 279 HA PHE 39 HA PHE 39 -7.017 15.627 -32.929 280 1HB PHE 39 1HB PHE 39 -7.097 13.986 -34.695 281 2HB PHE 39 2HB PHE 39 -8.730 13.509 -34.248 282 HD1 PHE 39 HD1 PHE 39 -10.581 14.551 -35.210 283 HD2 PHE 39 HD2 PHE 39 -6.735 16.335 -35.589 284 HE1 PHE 39 HE1 PHE 39 -11.494 16.168 -36.822 285 HE2 PHE 39 HE2 PHE 39 -7.642 17.956 -37.204 286 HZ PHE 39 HZ PHE 39 -10.027 17.873 -37.819 287 H GLU 40 H GLU 40 -9.699 13.875 -31.563 288 HA GLU 40 HA GLU 40 -11.773 15.707 -31.897 289 1HB GLU 40 1HB GLU 40 -11.195 13.741 -29.680 290 2HB GLU 40 2HB GLU 40 -12.691 14.653 -29.796 291 1HG GLU 40 1HG GLU 40 -11.673 12.790 -31.924 292 2HG GLU 40 2HG GLU 40 -12.830 12.341 -30.671 293 H GLY 41 H GLY 41 -8.983 15.868 -29.889 294 1HA GLY 41 1HA GLY 41 -8.337 17.942 -28.881 295 2HA GLY 41 2HA GLY 41 -10.039 18.324 -28.658 296 H GLU 42 H GLU 42 -9.473 15.118 -27.958 297 HA GLU 42 HA GLU 42 -9.180 15.707 -25.095 298 1HB GLU 42 1HB GLU 42 -11.411 14.783 -25.761 299 2HB GLU 42 2HB GLU 42 -10.593 13.335 -26.334 300 1HG GLU 42 1HG GLU 42 -11.575 13.046 -24.109 301 2HG GLU 42 2HG GLU 42 -9.825 12.834 -24.108 302 H LYS 43 H LYS 43 -8.067 13.980 -23.855 303 HA LYS 43 HA LYS 43 -6.201 12.421 -25.448 304 1HB LYS 43 1HB LYS 43 -4.228 13.396 -24.375 305 2HB LYS 43 2HB LYS 43 -5.113 14.586 -25.309 306 1HG LYS 43 1HG LYS 43 -5.348 14.306 -22.320 307 2HG LYS 43 2HG LYS 43 -4.218 15.396 -23.122 308 1HD LYS 43 1HD LYS 43 -5.939 16.725 -23.985 309 2HD LYS 43 2HD LYS 43 -7.160 15.487 -23.692 310 1HE LYS 43 1HE LYS 43 -6.553 15.804 -21.203 311 2HE LYS 43 2HE LYS 43 -5.816 17.316 -21.739 312 1HZ LYS 43 1HZ LYS 43 -8.096 17.650 -21.024 313 2HZ LYS 43 2HZ LYS 43 -8.649 16.522 -22.165 314 3HZ LYS 43 3HZ LYS 43 -7.944 17.978 -22.681 315 H VAL 44 H VAL 44 -6.760 10.516 -24.592 316 HA VAL 44 HA VAL 44 -5.748 9.844 -22.024 317 HB VAL 44 HB VAL 44 -7.696 10.674 -21.038 318 1HG1 VAL 44 1HG1 VAL 44 -8.949 11.105 -23.085 319 2HG1 VAL 44 2HG1 VAL 44 -9.955 10.319 -21.871 320 3HG1 VAL 44 3HG1 VAL 44 -9.322 9.387 -23.230 321 1HG2 VAL 44 1HG2 VAL 44 -8.278 7.762 -21.579 322 2HG2 VAL 44 2HG2 VAL 44 -8.956 8.730 -20.268 323 3HG2 VAL 44 3HG2 VAL 44 -7.225 8.395 -20.313 324 H ALA 45 H ALA 45 -5.142 7.780 -22.029 325 HA ALA 45 HA ALA 45 -6.075 6.107 -24.256 326 1HB ALA 45 1HB ALA 45 -3.675 5.707 -22.469 327 2HB ALA 45 2HB ALA 45 -3.638 6.459 -24.065 328 3HB ALA 45 3HB ALA 45 -4.091 4.762 -23.898 329 H VAL 46 H VAL 46 -7.207 4.287 -23.894 330 HA VAL 46 HA VAL 46 -7.742 3.606 -21.074 331 HB VAL 46 HB VAL 46 -9.611 3.238 -23.431 332 1HG1 VAL 46 1HG1 VAL 46 -10.053 2.829 -20.477 333 2HG1 VAL 46 2HG1 VAL 46 -9.952 1.566 -21.703 334 3HG1 VAL 46 3HG1 VAL 46 -11.295 2.709 -21.723 335 1HG2 VAL 46 1HG2 VAL 46 -9.703 5.270 -21.210 336 2HG2 VAL 46 2HG2 VAL 46 -10.946 5.028 -22.439 337 3HG2 VAL 46 3HG2 VAL 46 -9.341 5.594 -22.905 338 H CYS 47 H CYS 47 -7.427 1.546 -20.466 339 HA CYS 47 HA CYS 47 -6.463 -0.326 -22.510 340 1HB CYS 47 1HB CYS 47 -5.017 0.335 -20.526 341 2HB CYS 47 2HB CYS 47 -6.153 -0.541 -19.519 342 HA PRO 48 HA PRO 48 -10.146 -2.736 -21.672 343 1HB PRO 48 1HB PRO 48 -9.622 -4.733 -23.419 344 2HB PRO 48 2HB PRO 48 -10.205 -3.147 -23.930 345 1HG PRO 48 1HG PRO 48 -7.472 -4.296 -24.076 346 2HG PRO 48 2HG PRO 48 -8.281 -3.168 -25.175 347 1HD PRO 48 1HD PRO 48 -6.402 -2.486 -23.230 348 2HD PRO 48 2HD PRO 48 -7.513 -1.364 -24.034 349 H SER 49 H SER 49 -10.656 -4.757 -20.737 350 HA SER 49 HA SER 49 -10.412 -6.633 -19.510 351 1HB SER 49 1HB SER 49 -7.493 -6.339 -20.171 352 2HB SER 49 2HB SER 49 -8.092 -7.578 -19.067 353 HG SER 49 HG SER 49 -8.399 -7.329 -21.833 354 H CYS 50 H CYS 50 -7.812 -4.275 -18.685 355 HA CYS 50 HA CYS 50 -8.557 -4.649 -15.890 356 1HB CYS 50 1HB CYS 50 -6.630 -3.355 -15.311 357 2HB CYS 50 2HB CYS 50 -6.146 -4.482 -16.572 358 H SER 51 H SER 51 -8.982 -2.436 -18.498 359 HA SER 51 HA SER 51 -10.454 -0.753 -18.826 360 1HB SER 51 1HB SER 51 -12.103 -2.211 -17.783 361 2HB SER 51 2HB SER 51 -11.588 -1.693 -16.179 362 HG SER 51 HG SER 51 -12.190 0.495 -16.960 363 H LEU 52 H LEU 52 -8.025 0.106 -18.011 364 HA LEU 52 HA LEU 52 -8.702 2.181 -16.062 365 1HB LEU 52 1HB LEU 52 -6.279 0.513 -16.356 366 2HB LEU 52 2HB LEU 52 -6.060 2.183 -15.847 367 HG LEU 52 HG LEU 52 -8.046 0.403 -14.488 368 1HD1 LEU 52 1HD1 LEU 52 -6.376 -0.109 -12.793 369 2HD1 LEU 52 2HD1 LEU 52 -5.147 0.724 -13.744 370 3HD1 LEU 52 3HD1 LEU 52 -5.895 -0.749 -14.364 371 1HD2 LEU 52 1HD2 LEU 52 -7.714 1.972 -12.653 372 2HD2 LEU 52 2HD2 LEU 52 -8.217 2.797 -14.130 373 3HD2 LEU 52 3HD2 LEU 52 -6.530 2.850 -13.623 374 H MET 53 H MET 53 -7.575 4.179 -16.293 375 HA MET 53 HA MET 53 -7.217 4.892 -19.119 376 1HB MET 53 1HB MET 53 -9.065 6.343 -17.218 377 2HB MET 53 2HB MET 53 -8.801 6.721 -18.917 378 1HG MET 53 1HG MET 53 -9.955 4.849 -19.648 379 2HG MET 53 2HG MET 53 -9.801 4.041 -18.089 380 1HE MET 53 1HE MET 53 -11.235 4.647 -15.950 381 2HE MET 53 2HE MET 53 -12.362 5.999 -15.874 382 3HE MET 53 3HE MET 53 -10.632 6.301 -16.032 383 H ILE 54 H ILE 54 -5.822 6.536 -19.509 384 HA ILE 54 HA ILE 54 -4.934 8.184 -17.270 385 HB ILE 54 HB ILE 54 -2.533 7.861 -17.996 386 1HG1 ILE 54 1HG1 ILE 54 -2.128 5.509 -18.960 387 2HG1 ILE 54 2HG1 ILE 54 -3.812 5.548 -19.464 388 1HG2 ILE 54 1HG2 ILE 54 -4.052 5.555 -16.797 389 2HG2 ILE 54 2HG2 ILE 54 -3.409 6.958 -15.936 390 3HG2 ILE 54 3HG2 ILE 54 -2.306 5.792 -16.671 391 1HD1 ILE 54 1HD1 ILE 54 -3.357 7.469 -20.873 392 2HD1 ILE 54 2HD1 ILE 54 -2.297 6.121 -21.278 393 3HD1 ILE 54 3HD1 ILE 54 -1.675 7.481 -20.340 394 H ASP 55 H ASP 55 -3.805 10.131 -17.908 395 HA ASP 55 HA ASP 55 -5.012 11.188 -20.357 396 1HB ASP 55 1HB ASP 55 -5.108 12.203 -17.942 397 2HB ASP 55 2HB ASP 55 -3.493 12.789 -18.308 398 H VAL 56 H VAL 56 -3.734 12.354 -21.936 399 HA VAL 56 HA VAL 56 -0.838 11.864 -21.760 400 HB VAL 56 HB VAL 56 -1.637 10.022 -23.072 401 1HG1 VAL 56 1HG1 VAL 56 -2.915 10.275 -25.120 402 2HG1 VAL 56 2HG1 VAL 56 -2.969 12.023 -24.891 403 3HG1 VAL 56 3HG1 VAL 56 -3.799 10.960 -23.755 404 1HG2 VAL 56 1HG2 VAL 56 -0.437 10.378 -25.174 405 2HG2 VAL 56 2HG2 VAL 56 0.459 11.017 -23.795 406 3HG2 VAL 56 3HG2 VAL 56 -0.416 12.114 -24.865 407 H VAL 57 H VAL 57 0.316 13.627 -22.167 408 HA VAL 57 HA VAL 57 -0.923 15.972 -23.311 409 HB VAL 57 HB VAL 57 1.965 15.555 -22.515 410 1HG1 VAL 57 1HG1 VAL 57 1.709 17.414 -24.038 411 2HG1 VAL 57 2HG1 VAL 57 2.036 18.012 -22.412 412 3HG1 VAL 57 3HG1 VAL 57 0.397 18.074 -23.059 413 1HG2 VAL 57 1HG2 VAL 57 1.375 16.700 -20.441 414 2HG2 VAL 57 2HG2 VAL 57 0.454 15.208 -20.637 415 3HG2 VAL 57 3HG2 VAL 57 -0.314 16.764 -20.953 416 H PHE 58 H PHE 58 -1.097 16.281 -25.422 417 HA PHE 58 HA PHE 58 0.944 15.142 -27.219 418 1HB PHE 58 1HB PHE 58 -0.788 14.707 -28.854 419 2HB PHE 58 2HB PHE 58 -1.254 13.960 -27.331 420 HD1 PHE 58 HD1 PHE 58 -3.035 14.995 -25.947 421 HD2 PHE 58 HD2 PHE 58 -2.086 16.423 -29.838 422 HE1 PHE 58 HE1 PHE 58 -5.187 16.183 -26.035 423 HE2 PHE 58 HE2 PHE 58 -4.234 17.613 -29.931 424 HZ PHE 58 HZ PHE 58 -5.789 17.495 -28.027 425 H ASP 59 H ASP 59 1.112 16.279 -29.335 426 HA ASP 59 HA ASP 59 0.322 19.122 -29.145 427 1HB ASP 59 1HB ASP 59 2.840 18.632 -29.049 428 2HB ASP 59 2HB ASP 59 2.690 18.111 -30.716 429 H LYS 60 H LYS 60 -0.057 20.155 -31.188 430 HA LYS 60 HA LYS 60 -1.691 18.748 -32.975 431 1HB LYS 60 1HB LYS 60 -0.184 21.342 -33.382 432 2HB LYS 60 2HB LYS 60 -1.512 20.773 -34.378 433 1HG LYS 60 1HG LYS 60 -3.020 21.614 -32.981 434 2HG LYS 60 2HG LYS 60 -2.258 20.841 -31.591 435 1HD LYS 60 1HD LYS 60 -1.301 23.408 -32.856 436 2HD LYS 60 2HD LYS 60 -2.346 23.327 -31.437 437 1HE LYS 60 1HE LYS 60 -0.593 22.035 -30.269 438 2HE LYS 60 2HE LYS 60 0.451 22.220 -31.676 439 1HZ LYS 60 1HZ LYS 60 0.374 24.621 -31.356 440 2HZ LYS 60 2HZ LYS 60 0.985 23.844 -29.986 441 3HZ LYS 60 3HZ LYS 60 -0.605 24.422 -29.990 442 H GLU 61 H GLU 61 1.724 19.573 -33.042 443 HA GLU 61 HA GLU 61 2.027 18.770 -35.776 444 1HB GLU 61 1HB GLU 61 3.992 19.627 -33.674 445 2HB GLU 61 2HB GLU 61 4.483 19.119 -35.286 446 1HG GLU 61 1HG GLU 61 3.074 20.882 -36.250 447 2HG GLU 61 2HG GLU 61 2.657 21.414 -34.621 448 H ASP 62 H ASP 62 2.681 17.204 -32.635 449 HA ASP 62 HA ASP 62 4.188 15.124 -33.893 450 1HB ASP 62 1HB ASP 62 3.937 13.861 -31.771 451 2HB ASP 62 2HB ASP 62 4.621 15.463 -31.568 452 H LEU 63 H LEU 63 0.791 15.569 -33.112 453 HA LEU 63 HA LEU 63 -0.108 13.030 -33.910 454 1HB LEU 63 1HB LEU 63 -1.467 15.716 -34.163 455 2HB LEU 63 2HB LEU 63 -2.261 14.177 -34.430 456 HG LEU 63 HG LEU 63 -1.150 15.215 -31.826 457 1HD1 LEU 63 1HD1 LEU 63 -3.477 15.134 -31.112 458 2HD1 LEU 63 2HD1 LEU 63 -3.958 14.558 -32.707 459 3HD1 LEU 63 3HD1 LEU 63 -3.285 16.178 -32.520 460 1HD2 LEU 63 1HD2 LEU 63 -0.743 12.797 -32.059 461 2HD2 LEU 63 2HD2 LEU 63 -2.462 12.554 -32.378 462 3HD2 LEU 63 3HD2 LEU 63 -1.932 13.163 -30.810 463 H ALA 64 H ALA 64 0.324 16.025 -35.773 464 HA ALA 64 HA ALA 64 -0.505 14.996 -38.256 465 1HB ALA 64 1HB ALA 64 -0.349 17.377 -37.810 466 2HB ALA 64 2HB ALA 64 0.607 16.947 -39.229 467 3HB ALA 64 3HB ALA 64 1.405 17.255 -37.686 468 H GLU 65 H GLU 65 2.666 15.105 -36.708 469 HA GLU 65 HA GLU 65 4.146 14.151 -38.921 470 1HB GLU 65 1HB GLU 65 5.133 15.305 -36.967 471 2HB GLU 65 2HB GLU 65 4.772 13.899 -35.974 472 1HG GLU 65 1HG GLU 65 6.290 12.545 -37.248 473 2HG GLU 65 2HG GLU 65 6.563 13.862 -38.388 474 H TYR 66 H TYR 66 2.812 12.487 -36.060 475 HA TYR 66 HA TYR 66 3.582 9.897 -36.832 476 1HB TYR 66 1HB TYR 66 2.910 10.318 -34.562 477 2HB TYR 66 2HB TYR 66 1.309 10.838 -35.082 478 HD1 TYR 66 HD1 TYR 66 3.558 7.893 -34.883 479 HD2 TYR 66 HD2 TYR 66 -0.430 9.286 -35.378 480 HE1 TYR 66 HE1 TYR 66 2.729 5.585 -34.678 481 HE2 TYR 66 HE2 TYR 66 -1.268 6.988 -35.172 482 HH TYR 66 HH TYR 66 0.495 4.485 -33.973 483 H TYR 67 H TYR 67 0.711 11.796 -37.550 484 HA TYR 67 HA TYR 67 -0.883 9.958 -38.850 485 1HB TYR 67 1HB TYR 67 -1.917 11.995 -38.696 486 2HB TYR 67 2HB TYR 67 -0.447 12.891 -39.046 487 HD1 TYR 67 HD1 TYR 67 -3.104 10.835 -40.663 488 HD2 TYR 67 HD2 TYR 67 -0.085 13.788 -41.165 489 HE1 TYR 67 HE1 TYR 67 -3.891 11.244 -42.958 490 HE2 TYR 67 HE2 TYR 67 -0.862 14.207 -43.458 491 HH TYR 67 HH TYR 67 -3.815 13.173 -44.620 492 H GLU 68 H GLU 68 1.895 11.732 -40.093 493 HA GLU 68 HA GLU 68 1.663 10.682 -42.748 494 1HB GLU 68 1HB GLU 68 2.731 12.862 -42.201 495 2HB GLU 68 2HB GLU 68 4.026 11.996 -41.385 496 1HG GLU 68 1HG GLU 68 4.516 10.863 -43.565 497 2HG GLU 68 2HG GLU 68 3.367 11.973 -44.316 498 H GLU 69 H GLU 69 3.537 9.894 -39.875 499 HA GLU 69 HA GLU 69 5.266 7.986 -40.976 500 1HB GLU 69 1HB GLU 69 4.094 8.217 -38.204 501 2HB GLU 69 2HB GLU 69 5.347 7.059 -38.629 502 1HG GLU 69 1HG GLU 69 5.607 10.045 -38.887 503 2HG GLU 69 2HG GLU 69 6.201 9.096 -37.527 504 H ALA 70 H ALA 70 2.143 7.503 -39.329 505 HA ALA 70 HA ALA 70 2.146 4.686 -39.899 506 1HB ALA 70 1HB ALA 70 -0.090 6.378 -38.801 507 2HB ALA 70 2HB ALA 70 1.185 5.640 -37.832 508 3HB ALA 70 3HB ALA 70 0.050 4.622 -38.719 509 H GLY 71 H GLY 71 0.940 7.514 -41.477 510 1HA GLY 71 1HA GLY 71 -0.034 7.713 -43.576 511 2HA GLY 71 2HA GLY 71 0.020 5.957 -43.720 512 H ILE 72 H ILE 72 -1.536 8.257 -41.519 513 HA ILE 72 HA ILE 72 -3.740 6.445 -41.137 514 HB ILE 72 HB ILE 72 -3.452 9.273 -40.108 515 1HG1 ILE 72 1HG1 ILE 72 -2.523 6.673 -38.866 516 2HG1 ILE 72 2HG1 ILE 72 -1.481 7.941 -39.505 517 1HG2 ILE 72 1HG2 ILE 72 -5.698 8.339 -39.892 518 2HG2 ILE 72 2HG2 ILE 72 -4.929 8.524 -38.317 519 3HG2 ILE 72 3HG2 ILE 72 -5.038 6.930 -39.062 520 1HD1 ILE 72 1HD1 ILE 72 -2.309 9.469 -37.784 521 2HD1 ILE 72 2HD1 ILE 72 -1.573 8.026 -37.089 522 3HD1 ILE 72 3HD1 ILE 72 -3.328 8.181 -37.138 523 H HIS 73 H HIS 73 -5.966 6.978 -41.481 524 HA HIS 73 HA HIS 73 -6.709 8.017 -43.939 525 1HB HIS 73 1HB HIS 73 -8.158 6.591 -42.554 526 2HB HIS 73 2HB HIS 73 -8.332 7.892 -41.385 527 HD1 HIS 73 HD1 HIS 73 -9.204 7.141 -45.015 528 HD2 HIS 73 HD2 HIS 73 -10.429 9.552 -41.855 529 HE1 HIS 73 HE1 HIS 73 -11.336 8.241 -45.781 530 HE2 HIS 73 HE2 HIS 73 -12.178 9.482 -43.757 531 HA PRO 74 HA PRO 74 -5.912 12.325 -43.681 532 1HB PRO 74 1HB PRO 74 -8.035 13.126 -45.316 533 2HB PRO 74 2HB PRO 74 -6.415 12.678 -45.857 534 1HG PRO 74 1HG PRO 74 -8.910 11.037 -45.764 535 2HG PRO 74 2HG PRO 74 -7.621 11.058 -46.984 536 1HD PRO 74 1HD PRO 74 -7.776 9.082 -45.204 537 2HD PRO 74 2HD PRO 74 -6.198 9.754 -45.674 538 HA PRO 75 HA PRO 75 -9.060 13.792 -40.814 539 1HB PRO 75 1HB PRO 75 -7.150 15.244 -39.387 540 2HB PRO 75 2HB PRO 75 -7.702 13.615 -39.001 541 1HG PRO 75 1HG PRO 75 -5.117 14.387 -39.870 542 2HG PRO 75 2HG PRO 75 -5.723 12.741 -39.638 543 1HD PRO 75 1HD PRO 75 -5.447 14.323 -42.134 544 2HD PRO 75 2HD PRO 75 -5.391 12.564 -41.893 545 H GLU 76 H GLU 76 -9.741 16.010 -40.300 546 HA GLU 76 HA GLU 76 -9.407 17.770 -42.525 547 1HB GLU 76 1HB GLU 76 -11.431 17.467 -40.889 548 2HB GLU 76 2HB GLU 76 -10.568 18.624 -39.888 549 1HG GLU 76 1HG GLU 76 -12.233 19.744 -41.234 550 2HG GLU 76 2HG GLU 76 -10.615 20.241 -41.731 551 HA PRO 77 HA PRO 77 -5.578 19.720 -41.514 552 1HB PRO 77 1HB PRO 77 -7.015 22.170 -42.451 553 2HB PRO 77 2HB PRO 77 -5.414 21.564 -42.891 554 1HG PRO 77 1HG PRO 77 -7.479 21.234 -44.533 555 2HG PRO 77 2HG PRO 77 -6.267 19.955 -44.326 556 1HD PRO 77 1HD PRO 77 -9.052 20.114 -43.287 557 2HD PRO 77 2HD PRO 77 -8.103 18.694 -43.766 558 H ILE 78 H ILE 78 -4.668 20.830 -39.887 559 HA ILE 78 HA ILE 78 -6.517 21.913 -37.865 560 HB ILE 78 HB ILE 78 -4.720 21.406 -36.213 561 1HG1 ILE 78 1HG1 ILE 78 -3.458 19.968 -38.559 562 2HG1 ILE 78 2HG1 ILE 78 -2.826 21.416 -37.783 563 1HG2 ILE 78 1HG2 ILE 78 -5.703 19.045 -37.812 564 2HG2 ILE 78 2HG2 ILE 78 -6.599 19.885 -36.547 565 3HG2 ILE 78 3HG2 ILE 78 -5.127 19.001 -36.145 566 1HD1 ILE 78 1HD1 ILE 78 -3.108 18.698 -36.528 567 2HD1 ILE 78 2HD1 ILE 78 -2.524 20.144 -35.706 568 3HD1 ILE 78 3HD1 ILE 78 -1.612 19.468 -37.056 569 H ALA 79 H ALA 79 -5.457 23.553 -36.381 570 HA ALA 79 HA ALA 79 -4.352 25.657 -37.999 571 1HB ALA 79 1HB ALA 79 -6.039 26.119 -36.271 572 2HB ALA 79 2HB ALA 79 -4.554 27.033 -36.007 573 3HB ALA 79 3HB ALA 79 -4.896 25.603 -35.031 574 H ALA 80 H ALA 80 -2.433 24.274 -38.479 575 HA ALA 80 HA ALA 80 -0.304 24.929 -36.560 576 1HB ALA 80 1HB ALA 80 0.836 22.817 -37.123 577 2HB ALA 80 2HB ALA 80 -0.552 22.343 -38.103 578 3HB ALA 80 3HB ALA 80 -0.729 22.540 -36.361 579 H ALA 81 H ALA 81 0.827 26.462 -37.528 580 HA ALA 81 HA ALA 81 2.098 27.586 -39.031 581 1HB ALA 81 1HB ALA 81 2.212 24.950 -40.494 582 2HB ALA 81 2HB ALA 81 3.330 25.492 -39.242 583 3HB ALA 81 3HB ALA 81 3.256 26.343 -40.784 584 H ALA 82 H ALA 82 -0.862 27.238 -39.338 585 HA ALA 82 HA ALA 82 -1.098 27.889 -42.199 586 1HB ALA 82 1HB ALA 82 -3.225 26.932 -40.285 587 2HB ALA 82 2HB ALA 82 -2.439 25.965 -41.532 588 3HB ALA 82 3HB ALA 82 -3.473 27.318 -41.987 Start of MODEL 8 1 1H MET 1 1H MET 1 -13.157 6.158 -11.506 2 HA MET 1 HA MET 1 -13.539 6.265 -13.739 3 1HB MET 1 1HB MET 1 -15.629 8.257 -12.860 4 2HB MET 1 2HB MET 1 -15.458 7.702 -14.519 5 1HG MET 1 1HG MET 1 -15.862 5.396 -13.760 6 2HG MET 1 2HG MET 1 -16.107 6.002 -12.123 7 1HE MET 1 1HE MET 1 -18.489 4.765 -12.069 8 2HE MET 1 2HE MET 1 -18.234 4.191 -13.716 9 3HE MET 1 3HE MET 1 -19.738 5.006 -13.291 10 H SER 2 H SER 2 -11.700 8.252 -12.351 11 HA SER 2 HA SER 2 -11.567 10.229 -14.516 12 1HB SER 2 1HB SER 2 -10.142 11.533 -12.880 13 2HB SER 2 2HB SER 2 -11.829 11.335 -12.403 14 HG SER 2 HG SER 2 -9.526 10.389 -11.224 15 H THR 3 H THR 3 -9.140 11.026 -14.696 16 HA THR 3 HA THR 3 -7.637 8.680 -15.474 17 HB THR 3 HB THR 3 -6.040 10.456 -16.366 18 HG1 THR 3 HG1 THR 3 -6.998 12.563 -16.532 19 1HG2 THR 3 1HG2 THR 3 -7.659 9.298 -17.787 20 2HG2 THR 3 2HG2 THR 3 -7.506 10.989 -18.266 21 3HG2 THR 3 3HG2 THR 3 -8.905 10.459 -17.328 22 H TYR 4 H TYR 4 -6.105 7.783 -14.260 23 HA TYR 4 HA TYR 4 -5.370 9.117 -11.782 24 1HB TYR 4 1HB TYR 4 -5.020 6.290 -12.767 25 2HB TYR 4 2HB TYR 4 -4.304 6.867 -11.265 26 HD1 TYR 4 HD1 TYR 4 -7.504 6.189 -12.994 27 HD2 TYR 4 HD2 TYR 4 -5.627 7.207 -9.316 28 HE1 TYR 4 HE1 TYR 4 -9.617 5.772 -11.808 29 HE2 TYR 4 HE2 TYR 4 -7.733 6.789 -8.117 30 HH TYR 4 HH TYR 4 -10.073 6.631 -8.483 31 H ASP 5 H ASP 5 -4.079 8.754 -14.861 32 HA ASP 5 HA ASP 5 -1.542 9.860 -13.929 33 1HB ASP 5 1HB ASP 5 -1.821 7.400 -15.637 34 2HB ASP 5 2HB ASP 5 -0.412 8.440 -15.796 35 H GLU 6 H GLU 6 -0.256 10.687 -15.845 36 HA GLU 6 HA GLU 6 -1.755 11.419 -18.205 37 1HB GLU 6 1HB GLU 6 -2.452 13.097 -16.487 38 2HB GLU 6 2HB GLU 6 -0.766 13.553 -16.291 39 1HG GLU 6 1HG GLU 6 -0.697 14.273 -18.630 40 2HG GLU 6 2HG GLU 6 -2.397 13.836 -18.805 41 H ILE 7 H ILE 7 -0.290 11.226 -19.850 42 HA ILE 7 HA ILE 7 2.507 11.935 -19.231 43 HB ILE 7 HB ILE 7 2.127 9.550 -20.968 44 1HG1 ILE 7 1HG1 ILE 7 2.520 8.227 -18.690 45 2HG1 ILE 7 2HG1 ILE 7 1.593 9.571 -18.031 46 1HG2 ILE 7 1HG2 ILE 7 4.198 10.337 -18.924 47 2HG2 ILE 7 2HG2 ILE 7 4.322 10.527 -20.673 48 3HG2 ILE 7 3HG2 ILE 7 4.271 8.914 -19.964 49 1HD1 ILE 7 1HD1 ILE 7 0.169 7.677 -18.556 50 2HD1 ILE 7 2HD1 ILE 7 0.705 7.729 -20.236 51 3HD1 ILE 7 3HD1 ILE 7 -0.228 9.067 -19.568 52 H GLU 8 H GLU 8 3.797 12.441 -21.073 53 HA GLU 8 HA GLU 8 2.332 13.739 -23.147 54 1HB GLU 8 1HB GLU 8 5.297 13.240 -22.846 55 2HB GLU 8 2HB GLU 8 4.579 14.224 -24.112 56 1HG GLU 8 1HG GLU 8 3.613 15.674 -22.319 57 2HG GLU 8 2HG GLU 8 4.568 14.755 -21.155 58 H ILE 9 H ILE 9 2.403 13.331 -25.348 59 HA ILE 9 HA ILE 9 1.918 10.735 -26.180 60 HB ILE 9 HB ILE 9 1.137 12.725 -27.358 61 1HG1 ILE 9 1HG1 ILE 9 2.880 11.093 -29.206 62 2HG1 ILE 9 2HG1 ILE 9 1.342 10.534 -28.556 63 1HG2 ILE 9 1HG2 ILE 9 4.005 13.091 -28.197 64 2HG2 ILE 9 2HG2 ILE 9 3.083 14.139 -27.117 65 3HG2 ILE 9 3HG2 ILE 9 2.632 14.007 -28.817 66 1HD1 ILE 9 1HD1 ILE 9 1.080 11.375 -30.806 67 2HD1 ILE 9 2HD1 ILE 9 1.760 12.930 -30.325 68 3HD1 ILE 9 3HD1 ILE 9 0.213 12.398 -29.662 69 H GLU 10 H GLU 10 4.921 12.453 -25.948 70 HA GLU 10 HA GLU 10 6.507 10.893 -27.666 71 1HB GLU 10 1HB GLU 10 7.285 13.045 -26.978 72 2HB GLU 10 2HB GLU 10 7.182 12.606 -25.279 73 1HG GLU 10 1HG GLU 10 8.980 10.948 -25.646 74 2HG GLU 10 2HG GLU 10 9.125 11.527 -27.304 75 H ASP 11 H ASP 11 5.546 10.411 -24.322 76 HA ASP 11 HA ASP 11 7.677 8.556 -23.760 77 1HB ASP 11 1HB ASP 11 6.699 10.057 -22.032 78 2HB ASP 11 2HB ASP 11 5.194 9.152 -22.136 79 H MET 12 H MET 12 4.411 8.374 -24.883 80 HA MET 12 HA MET 12 4.023 5.616 -24.218 81 1HB MET 12 1HB MET 12 2.508 7.444 -26.088 82 2HB MET 12 2HB MET 12 2.009 5.807 -25.683 83 1HG MET 12 1HG MET 12 1.828 6.460 -23.325 84 2HG MET 12 2HG MET 12 2.295 8.104 -23.755 85 1HE MET 12 1HE MET 12 -0.431 5.318 -24.009 86 2HE MET 12 2HE MET 12 -0.100 5.609 -25.717 87 3HE MET 12 3HE MET 12 -1.656 6.076 -25.025 88 H THR 13 H THR 13 3.604 3.945 -25.841 89 HA THR 13 HA THR 13 5.638 4.017 -27.933 90 HB THR 13 HB THR 13 3.973 1.681 -26.984 91 HG1 THR 13 HG1 THR 13 6.291 2.875 -25.963 92 1HG2 THR 13 1HG2 THR 13 5.727 0.316 -28.023 93 2HG2 THR 13 2HG2 THR 13 6.545 1.781 -28.569 94 3HG2 THR 13 3HG2 THR 13 4.952 1.371 -29.205 95 H PHE 14 H PHE 14 5.013 4.568 -29.929 96 HA PHE 14 HA PHE 14 2.212 4.679 -30.586 97 1HB PHE 14 1HB PHE 14 2.960 5.749 -32.675 98 2HB PHE 14 2HB PHE 14 3.638 6.526 -31.253 99 HD1 PHE 14 HD1 PHE 14 6.032 6.188 -30.681 100 HD2 PHE 14 HD2 PHE 14 4.343 4.744 -34.315 101 HE1 PHE 14 HE1 PHE 14 8.289 5.963 -31.638 102 HE2 PHE 14 HE2 PHE 14 6.596 4.514 -35.274 103 HZ PHE 14 HZ PHE 14 8.573 5.122 -33.936 104 H GLU 15 H GLU 15 1.095 3.431 -31.962 105 HA GLU 15 HA GLU 15 2.565 1.307 -33.378 106 1HB GLU 15 1HB GLU 15 0.661 0.918 -31.440 107 2HB GLU 15 2HB GLU 15 -0.304 0.858 -32.908 108 1HG GLU 15 1HG GLU 15 2.121 -0.836 -32.343 109 2HG GLU 15 2HG GLU 15 0.446 -1.358 -32.192 110 HA PRO 16 HA PRO 16 0.982 4.215 -36.483 111 1HB PRO 16 1HB PRO 16 2.660 3.387 -38.473 112 2HB PRO 16 2HB PRO 16 3.128 4.530 -37.209 113 1HG PRO 16 1HG PRO 16 3.654 1.589 -37.391 114 2HG PRO 16 2HG PRO 16 4.747 2.894 -36.890 115 1HD PRO 16 1HD PRO 16 3.507 1.309 -35.097 116 2HD PRO 16 2HD PRO 16 3.835 3.023 -34.771 117 H GLU 17 H GLU 17 1.306 0.748 -36.761 118 HA GLU 17 HA GLU 17 0.036 0.488 -39.297 119 1HB GLU 17 1HB GLU 17 0.321 -1.620 -37.149 120 2HB GLU 17 2HB GLU 17 0.099 -1.883 -38.876 121 1HG GLU 17 1HG GLU 17 2.274 -0.906 -39.322 122 2HG GLU 17 2HG GLU 17 2.497 -0.590 -37.603 123 H ASN 18 H ASN 18 -1.091 0.854 -36.075 124 HA ASN 18 HA ASN 18 -3.829 0.180 -36.927 125 1HB ASN 18 1HB ASN 18 -2.570 0.167 -34.179 126 2HB ASN 18 2HB ASN 18 -4.305 0.057 -34.440 127 1HD2 ASN 18 1HD2 ASN 18 -1.239 -1.529 -34.843 128 2HD2 ASN 18 2HD2 ASN 18 -1.868 -3.118 -35.126 129 H GLN 19 H GLN 19 -1.883 2.716 -36.702 130 HA GLN 19 HA GLN 19 -2.082 4.959 -36.434 131 1HB GLN 19 1HB GLN 19 -4.990 4.303 -36.939 132 2HB GLN 19 2HB GLN 19 -4.357 5.938 -36.865 133 1HG GLN 19 1HG GLN 19 -4.467 5.520 -39.129 134 2HG GLN 19 2HG GLN 19 -2.780 5.184 -38.752 135 1HE2 GLN 19 1HE2 GLN 19 -1.993 3.132 -39.009 136 2HE2 GLN 19 2HE2 GLN 19 -2.922 1.836 -39.684 137 H MET 20 H MET 20 -1.834 3.685 -34.023 138 HA MET 20 HA MET 20 -3.439 5.382 -32.289 139 1HB MET 20 1HB MET 20 -4.222 3.592 -30.884 140 2HB MET 20 2HB MET 20 -4.736 3.283 -32.534 141 1HG MET 20 1HG MET 20 -2.888 1.687 -32.796 142 2HG MET 20 2HG MET 20 -2.419 1.977 -31.122 143 1HE MET 20 1HE MET 20 -2.537 -0.543 -30.456 144 2HE MET 20 2HE MET 20 -2.908 -0.951 -32.133 145 3HE MET 20 3HE MET 20 -3.899 -1.604 -30.827 146 H PHE 21 H PHE 21 -2.693 5.284 -30.028 147 HA PHE 21 HA PHE 21 0.170 4.601 -29.855 148 1HB PHE 21 1HB PHE 21 -1.442 6.753 -28.478 149 2HB PHE 21 2HB PHE 21 0.150 6.260 -27.909 150 HD1 PHE 21 HD1 PHE 21 -1.680 7.764 -30.745 151 HD2 PHE 21 HD2 PHE 21 2.111 6.999 -28.967 152 HE1 PHE 21 HE1 PHE 21 -0.624 9.309 -32.339 153 HE2 PHE 21 HE2 PHE 21 3.170 8.541 -30.562 154 HZ PHE 21 HZ PHE 21 1.804 9.700 -32.252 155 H THR 22 H THR 22 0.905 3.504 -28.028 156 HA THR 22 HA THR 22 -1.189 2.440 -26.263 157 HB THR 22 HB THR 22 -0.057 0.196 -26.385 158 HG1 THR 22 HG1 THR 22 1.544 1.632 -28.112 159 1HG2 THR 22 1HG2 THR 22 -1.083 -0.433 -28.539 160 2HG2 THR 22 2HG2 THR 22 -1.252 1.278 -28.938 161 3HG2 THR 22 3HG2 THR 22 -2.139 0.600 -27.573 162 H TYR 23 H TYR 23 -0.370 1.558 -24.248 163 HA TYR 23 HA TYR 23 2.357 2.349 -23.556 164 1HB TYR 23 1HB TYR 23 0.563 4.140 -22.956 165 2HB TYR 23 2HB TYR 23 0.098 3.014 -21.686 166 HD1 TYR 23 HD1 TYR 23 0.995 3.462 -19.605 167 HD2 TYR 23 HD2 TYR 23 3.261 4.439 -23.066 168 HE1 TYR 23 HE1 TYR 23 2.778 4.377 -18.171 169 HE2 TYR 23 HE2 TYR 23 5.048 5.351 -21.652 170 HH TYR 23 HH TYR 23 5.402 6.231 -19.486 171 HA PRO 24 HA PRO 24 2.347 -1.809 -22.028 172 1HB PRO 24 1HB PRO 24 4.454 -0.680 -20.246 173 2HB PRO 24 2HB PRO 24 4.501 -2.118 -21.273 174 1HG PRO 24 1HG PRO 24 5.750 0.131 -21.995 175 2HG PRO 24 2HG PRO 24 4.940 -0.900 -23.189 176 1HD PRO 24 1HD PRO 24 4.090 1.720 -22.067 177 2HD PRO 24 2HD PRO 24 3.809 1.031 -23.677 178 H CYS 25 H CYS 25 1.048 -2.683 -20.637 179 HA CYS 25 HA CYS 25 0.972 -1.808 -17.863 180 1HB CYS 25 1HB CYS 25 -0.895 -0.598 -18.802 181 2HB CYS 25 2HB CYS 25 -1.441 -2.020 -19.680 182 HA PRO 26 HA PRO 26 0.667 -6.277 -17.662 183 1HB PRO 26 1HB PRO 26 0.868 -6.231 -14.827 184 2HB PRO 26 2HB PRO 26 2.169 -6.518 -15.983 185 1HG PRO 26 1HG PRO 26 1.947 -4.298 -14.304 186 2HG PRO 26 2HG PRO 26 2.985 -4.414 -15.735 187 1HD PRO 26 1HD PRO 26 0.304 -3.126 -15.432 188 2HD PRO 26 2HD PRO 26 1.698 -2.623 -16.414 189 H CYS 27 H CYS 27 -1.257 -7.161 -17.925 190 HA CYS 27 HA CYS 27 -3.095 -7.598 -15.865 191 1HB CYS 27 1HB CYS 27 -4.997 -6.233 -16.588 192 2HB CYS 27 2HB CYS 27 -3.638 -5.194 -16.178 193 H GLY 28 H GLY 28 -2.999 -6.942 -19.323 194 1HA GLY 28 1HA GLY 28 -3.172 -9.515 -20.296 195 2HA GLY 28 2HA GLY 28 -4.836 -8.992 -20.046 196 H ASP 29 H ASP 29 -4.033 -6.166 -20.553 197 HA ASP 29 HA ASP 29 -3.372 -6.240 -23.415 198 1HB ASP 29 1HB ASP 29 -5.924 -6.062 -22.865 199 2HB ASP 29 2HB ASP 29 -5.534 -4.408 -22.404 200 H ARG 30 H ARG 30 -3.039 -3.798 -24.123 201 HA ARG 30 HA ARG 30 -1.675 -2.399 -21.924 202 1HB ARG 30 1HB ARG 30 -0.331 -1.391 -23.974 203 2HB ARG 30 2HB ARG 30 0.159 -2.871 -23.172 204 1HG ARG 30 1HG ARG 30 0.358 -3.261 -25.484 205 2HG ARG 30 2HG ARG 30 -1.077 -4.134 -24.958 206 1HD ARG 30 1HD ARG 30 -1.571 -1.396 -25.902 207 2HD ARG 30 2HD ARG 30 -0.956 -2.502 -27.126 208 HE ARG 30 HE ARG 30 -3.451 -2.874 -25.587 209 1HH1 ARG 30 1HH1 ARG 30 -1.455 -3.519 -28.409 210 2HH1 ARG 30 2HH1 ARG 30 -2.712 -4.395 -29.236 211 1HH2 ARG 30 1HH2 ARG 30 -5.059 -4.054 -26.655 212 2HH2 ARG 30 2HH2 ARG 30 -4.751 -4.691 -28.248 213 H PHE 31 H PHE 31 -1.858 -0.142 -21.833 214 HA PHE 31 HA PHE 31 -4.246 1.058 -22.400 215 1HB PHE 31 1HB PHE 31 -1.508 2.342 -22.296 216 2HB PHE 31 2HB PHE 31 -3.008 3.258 -22.351 217 HD1 PHE 31 HD1 PHE 31 -0.707 1.408 -20.294 218 HD2 PHE 31 HD2 PHE 31 -4.597 3.113 -20.453 219 HE1 PHE 31 HE1 PHE 31 -0.829 1.346 -17.839 220 HE2 PHE 31 HE2 PHE 31 -4.731 3.051 -17.997 221 HZ PHE 31 HZ PHE 31 -2.844 2.169 -16.686 222 H GLN 32 H GLN 32 -5.262 1.801 -24.172 223 HA GLN 32 HA GLN 32 -3.627 2.265 -26.563 224 1HB GLN 32 1HB GLN 32 -5.346 1.162 -27.943 225 2HB GLN 32 2HB GLN 32 -4.593 0.062 -26.799 226 1HG GLN 32 1HG GLN 32 -6.540 0.263 -25.331 227 2HG GLN 32 2HG GLN 32 -7.295 1.348 -26.500 228 1HE2 GLN 32 1HE2 GLN 32 -6.302 -1.930 -25.848 229 2HE2 GLN 32 2HE2 GLN 32 -7.237 -2.661 -27.105 230 H ILE 33 H ILE 33 -4.153 3.964 -27.773 231 HA ILE 33 HA ILE 33 -6.717 5.300 -27.378 232 HB ILE 33 HB ILE 33 -5.263 6.444 -25.809 233 1HG1 ILE 33 1HG1 ILE 33 -5.657 8.133 -28.286 234 2HG1 ILE 33 2HG1 ILE 33 -6.916 7.759 -27.112 235 1HG2 ILE 33 1HG2 ILE 33 -3.232 7.582 -26.485 236 2HG2 ILE 33 2HG2 ILE 33 -3.428 7.000 -28.138 237 3HG2 ILE 33 3HG2 ILE 33 -3.113 5.856 -26.831 238 1HD1 ILE 33 1HD1 ILE 33 -4.384 9.287 -26.549 239 2HD1 ILE 33 2HD1 ILE 33 -5.666 8.932 -25.390 240 3HD1 ILE 33 3HD1 ILE 33 -5.990 9.981 -26.770 241 H TYR 34 H TYR 34 -7.541 6.005 -29.253 242 HA TYR 34 HA TYR 34 -5.980 5.475 -31.641 243 1HB TYR 34 1HB TYR 34 -8.861 6.362 -31.409 244 2HB TYR 34 2HB TYR 34 -8.077 5.703 -32.841 245 HD1 TYR 34 HD1 TYR 34 -6.754 3.349 -32.112 246 HD2 TYR 34 HD2 TYR 34 -10.364 4.887 -30.470 247 HE1 TYR 34 HE1 TYR 34 -7.393 1.082 -31.409 248 HE2 TYR 34 HE2 TYR 34 -11.012 2.622 -29.760 249 HH TYR 34 HH TYR 34 -8.903 0.077 -29.567 250 H LEU 35 H LEU 35 -5.530 6.972 -33.243 251 HA LEU 35 HA LEU 35 -4.671 9.447 -32.250 252 1HB LEU 35 1HB LEU 35 -3.819 8.022 -34.233 253 2HB LEU 35 2HB LEU 35 -5.035 8.862 -35.172 254 HG LEU 35 HG LEU 35 -2.676 9.772 -35.296 255 1HD1 LEU 35 1HD1 LEU 35 -4.840 11.666 -34.391 256 2HD1 LEU 35 2HD1 LEU 35 -4.590 11.084 -36.038 257 3HD1 LEU 35 3HD1 LEU 35 -3.376 12.110 -35.271 258 1HD2 LEU 35 1HD2 LEU 35 -2.099 9.552 -32.950 259 2HD2 LEU 35 2HD2 LEU 35 -3.348 10.721 -32.518 260 3HD2 LEU 35 3HD2 LEU 35 -1.954 11.230 -33.472 261 H ASP 36 H ASP 36 -7.561 8.537 -34.058 262 HA ASP 36 HA ASP 36 -8.313 11.144 -34.800 263 1HB ASP 36 1HB ASP 36 -10.490 10.147 -35.301 264 2HB ASP 36 2HB ASP 36 -9.181 9.161 -35.926 265 H ASP 37 H ASP 37 -8.950 9.199 -31.925 266 HA ASP 37 HA ASP 37 -10.796 10.939 -30.693 267 1HB ASP 37 1HB ASP 37 -8.851 8.908 -29.641 268 2HB ASP 37 2HB ASP 37 -9.701 9.967 -28.522 269 H MET 38 H MET 38 -7.273 10.803 -30.632 270 HA MET 38 HA MET 38 -6.835 12.871 -28.769 271 1HB MET 38 1HB MET 38 -5.029 12.102 -31.069 272 2HB MET 38 2HB MET 38 -4.555 12.899 -29.575 273 1HG MET 38 1HG MET 38 -5.187 10.878 -28.325 274 2HG MET 38 2HG MET 38 -5.590 10.088 -29.848 275 1HE MET 38 1HE MET 38 -2.799 11.485 -27.541 276 2HE MET 38 2HE MET 38 -2.556 12.497 -28.966 277 3HE MET 38 3HE MET 38 -1.345 11.296 -28.521 278 H PHE 39 H PHE 39 -7.157 12.843 -32.270 279 HA PHE 39 HA PHE 39 -6.502 15.557 -32.710 280 1HB PHE 39 1HB PHE 39 -6.429 13.928 -34.516 281 2HB PHE 39 2HB PHE 39 -8.155 13.630 -34.356 282 HD1 PHE 39 HD1 PHE 39 -5.734 16.350 -35.098 283 HD2 PHE 39 HD2 PHE 39 -9.642 14.781 -35.691 284 HE1 PHE 39 HE1 PHE 39 -6.188 18.115 -36.747 285 HE2 PHE 39 HE2 PHE 39 -10.105 16.547 -37.340 286 HZ PHE 39 HZ PHE 39 -8.377 18.216 -37.869 287 H GLU 40 H GLU 40 -9.464 13.925 -31.836 288 HA GLU 40 HA GLU 40 -11.172 16.149 -32.393 289 1HB GLU 40 1HB GLU 40 -11.550 13.565 -30.908 290 2HB GLU 40 2HB GLU 40 -12.813 14.778 -31.000 291 1HG GLU 40 1HG GLU 40 -11.531 13.336 -33.308 292 2HG GLU 40 2HG GLU 40 -13.162 13.091 -32.683 293 H GLY 41 H GLY 41 -8.922 15.653 -30.018 294 1HA GLY 41 1HA GLY 41 -8.452 17.505 -28.565 295 2HA GLY 41 2HA GLY 41 -10.181 17.781 -28.421 296 H GLU 42 H GLU 42 -10.339 14.681 -28.145 297 HA GLU 42 HA GLU 42 -10.128 14.801 -25.240 298 1HB GLU 42 1HB GLU 42 -11.464 12.809 -27.073 299 2HB GLU 42 2HB GLU 42 -11.384 12.626 -25.325 300 1HG GLU 42 1HG GLU 42 -12.557 14.792 -25.090 301 2HG GLU 42 2HG GLU 42 -12.727 14.848 -26.843 302 H LYS 43 H LYS 43 -8.043 14.497 -24.702 303 HA LYS 43 HA LYS 43 -6.627 12.232 -25.891 304 1HB LYS 43 1HB LYS 43 -4.577 13.278 -24.933 305 2HB LYS 43 2HB LYS 43 -5.409 14.290 -26.105 306 1HG LYS 43 1HG LYS 43 -6.075 14.681 -23.242 307 2HG LYS 43 2HG LYS 43 -4.496 15.227 -23.799 308 1HD LYS 43 1HD LYS 43 -5.561 16.609 -25.499 309 2HD LYS 43 2HD LYS 43 -7.148 16.026 -24.994 310 1HE LYS 43 1HE LYS 43 -6.934 17.065 -22.859 311 2HE LYS 43 2HE LYS 43 -5.242 17.459 -23.153 312 1HZ LYS 43 1HZ LYS 43 -5.880 19.020 -24.826 313 2HZ LYS 43 2HZ LYS 43 -6.781 19.354 -23.427 314 3HZ LYS 43 3HZ LYS 43 -7.509 18.555 -24.731 315 H VAL 44 H VAL 44 -7.170 10.483 -24.788 316 HA VAL 44 HA VAL 44 -6.080 10.091 -22.194 317 HB VAL 44 HB VAL 44 -8.027 11.085 -21.300 318 1HG1 VAL 44 1HG1 VAL 44 -9.651 9.460 -23.244 319 2HG1 VAL 44 2HG1 VAL 44 -9.358 11.197 -23.316 320 3HG1 VAL 44 3HG1 VAL 44 -10.305 10.516 -21.992 321 1HG2 VAL 44 1HG2 VAL 44 -7.492 8.982 -20.210 322 2HG2 VAL 44 2HG2 VAL 44 -8.504 8.107 -21.359 323 3HG2 VAL 44 3HG2 VAL 44 -9.238 9.234 -20.219 324 H ALA 45 H ALA 45 -5.428 8.041 -22.090 325 HA ALA 45 HA ALA 45 -6.395 6.218 -24.178 326 1HB ALA 45 1HB ALA 45 -4.335 4.970 -23.812 327 2HB ALA 45 2HB ALA 45 -3.901 6.056 -22.492 328 3HB ALA 45 3HB ALA 45 -3.986 6.668 -24.143 329 H VAL 46 H VAL 46 -7.119 4.185 -23.718 330 HA VAL 46 HA VAL 46 -7.685 3.649 -20.876 331 HB VAL 46 HB VAL 46 -9.730 4.224 -22.049 332 1HG1 VAL 46 1HG1 VAL 46 -9.095 3.657 -24.318 333 2HG1 VAL 46 2HG1 VAL 46 -10.606 2.858 -23.881 334 3HG1 VAL 46 3HG1 VAL 46 -9.098 1.944 -23.905 335 1HG2 VAL 46 1HG2 VAL 46 -9.894 2.578 -20.283 336 2HG2 VAL 46 2HG2 VAL 46 -9.563 1.284 -21.435 337 3HG2 VAL 46 3HG2 VAL 46 -11.054 2.220 -21.563 338 H CYS 47 H CYS 47 -7.236 1.658 -20.119 339 HA CYS 47 HA CYS 47 -6.207 -0.270 -22.063 340 1HB CYS 47 1HB CYS 47 -4.739 0.557 -20.133 341 2HB CYS 47 2HB CYS 47 -5.810 -0.337 -19.069 342 HA PRO 48 HA PRO 48 -10.018 -2.431 -21.096 343 1HB PRO 48 1HB PRO 48 -9.598 -4.509 -22.807 344 2HB PRO 48 2HB PRO 48 -10.219 -2.938 -23.316 345 1HG PRO 48 1HG PRO 48 -7.472 -4.055 -23.544 346 2HG PRO 48 2HG PRO 48 -8.366 -3.026 -24.677 347 1HD PRO 48 1HD PRO 48 -6.417 -2.105 -22.987 348 2HD PRO 48 2HD PRO 48 -7.742 -1.105 -23.611 349 H SER 49 H SER 49 -10.594 -4.337 -20.044 350 HA SER 49 HA SER 49 -10.398 -6.324 -18.956 351 1HB SER 49 1HB SER 49 -8.420 -6.815 -20.541 352 2HB SER 49 2HB SER 49 -7.397 -6.309 -19.199 353 HG SER 49 HG SER 49 -9.031 -8.559 -19.461 354 H CYS 50 H CYS 50 -7.638 -4.146 -18.164 355 HA CYS 50 HA CYS 50 -8.290 -4.481 -15.342 356 1HB CYS 50 1HB CYS 50 -6.305 -3.230 -14.864 357 2HB CYS 50 2HB CYS 50 -5.900 -4.353 -16.155 358 H SER 51 H SER 51 -8.640 -2.225 -17.946 359 HA SER 51 HA SER 51 -10.061 -0.513 -18.285 360 1HB SER 51 1HB SER 51 -11.252 -1.342 -15.632 361 2HB SER 51 2HB SER 51 -11.988 -0.221 -16.777 362 HG SER 51 HG SER 51 -11.996 -2.930 -16.779 363 H LEU 52 H LEU 52 -7.681 0.295 -17.615 364 HA LEU 52 HA LEU 52 -8.058 2.369 -15.562 365 1HB LEU 52 1HB LEU 52 -6.103 0.538 -15.617 366 2HB LEU 52 2HB LEU 52 -5.370 1.724 -16.675 367 HG LEU 52 HG LEU 52 -6.295 2.320 -13.860 368 1HD1 LEU 52 1HD1 LEU 52 -3.530 1.713 -14.898 369 2HD1 LEU 52 2HD1 LEU 52 -4.490 0.695 -13.823 370 3HD1 LEU 52 3HD1 LEU 52 -3.920 2.269 -13.269 371 1HD2 LEU 52 1HD2 LEU 52 -4.534 3.882 -15.748 372 2HD2 LEU 52 2HD2 LEU 52 -4.947 4.335 -14.095 373 3HD2 LEU 52 3HD2 LEU 52 -6.202 4.277 -15.333 374 H MET 53 H MET 53 -7.869 4.463 -16.157 375 HA MET 53 HA MET 53 -7.254 5.034 -18.978 376 1HB MET 53 1HB MET 53 -9.386 6.286 -17.241 377 2HB MET 53 2HB MET 53 -8.952 6.852 -18.847 378 1HG MET 53 1HG MET 53 -9.822 4.954 -19.880 379 2HG MET 53 2HG MET 53 -9.832 4.030 -18.378 380 1HE MET 53 1HE MET 53 -11.515 4.423 -16.410 381 2HE MET 53 2HE MET 53 -12.763 5.672 -16.404 382 3HE MET 53 3HE MET 53 -11.060 6.125 -16.336 383 H ILE 54 H ILE 54 -5.940 6.748 -19.391 384 HA ILE 54 HA ILE 54 -5.288 8.590 -17.211 385 HB ILE 54 HB ILE 54 -2.957 8.368 -17.339 386 1HG1 ILE 54 1HG1 ILE 54 -2.746 8.270 -19.794 387 2HG1 ILE 54 2HG1 ILE 54 -1.727 7.080 -19.000 388 1HG2 ILE 54 1HG2 ILE 54 -4.079 5.580 -17.536 389 2HG2 ILE 54 2HG2 ILE 54 -3.907 6.552 -16.075 390 3HG2 ILE 54 3HG2 ILE 54 -2.473 5.985 -16.931 391 1HD1 ILE 54 1HD1 ILE 54 -4.350 6.553 -20.362 392 2HD1 ILE 54 2HD1 ILE 54 -3.372 5.344 -19.526 393 3HD1 ILE 54 3HD1 ILE 54 -2.744 6.144 -20.968 394 H ASP 55 H ASP 55 -4.353 10.598 -17.965 395 HA ASP 55 HA ASP 55 -5.380 11.314 -20.577 396 1HB ASP 55 1HB ASP 55 -4.045 12.892 -18.390 397 2HB ASP 55 2HB ASP 55 -4.423 13.597 -19.954 398 H VAL 56 H VAL 56 -4.082 12.472 -22.144 399 HA VAL 56 HA VAL 56 -1.217 11.788 -22.062 400 HB VAL 56 HB VAL 56 -2.983 11.569 -24.494 401 1HG1 VAL 56 1HG1 VAL 56 -0.081 10.889 -24.123 402 2HG1 VAL 56 2HG1 VAL 56 -0.738 12.210 -25.089 403 3HG1 VAL 56 3HG1 VAL 56 -1.031 10.538 -25.568 404 1HG2 VAL 56 1HG2 VAL 56 -2.627 9.154 -24.356 405 2HG2 VAL 56 2HG2 VAL 56 -3.476 9.777 -22.941 406 3HG2 VAL 56 3HG2 VAL 56 -1.761 9.377 -22.836 407 H VAL 57 H VAL 57 0.158 13.331 -22.952 408 HA VAL 57 HA VAL 57 -1.110 15.895 -23.662 409 HB VAL 57 HB VAL 57 1.739 15.404 -22.772 410 1HG1 VAL 57 1HG1 VAL 57 0.179 17.964 -23.107 411 2HG1 VAL 57 2HG1 VAL 57 1.478 17.397 -24.156 412 3HG1 VAL 57 3HG1 VAL 57 1.822 17.832 -22.480 413 1HG2 VAL 57 1HG2 VAL 57 1.053 16.380 -20.630 414 2HG2 VAL 57 2HG2 VAL 57 0.171 14.892 -20.971 415 3HG2 VAL 57 3HG2 VAL 57 -0.615 16.454 -21.197 416 H PHE 58 H PHE 58 -1.273 16.148 -25.804 417 HA PHE 58 HA PHE 58 0.937 15.157 -27.491 418 1HB PHE 58 1HB PHE 58 -0.641 14.871 -29.299 419 2HB PHE 58 2HB PHE 58 -1.257 14.042 -27.876 420 HD1 PHE 58 HD1 PHE 58 -3.283 14.745 -26.808 421 HD2 PHE 58 HD2 PHE 58 -1.699 16.932 -30.094 422 HE1 PHE 58 HE1 PHE 58 -5.410 15.962 -27.019 423 HE2 PHE 58 HE2 PHE 58 -3.822 18.157 -30.309 424 HZ PHE 58 HZ PHE 58 -5.678 17.674 -28.769 425 H ASP 59 H ASP 59 1.276 16.400 -29.531 426 HA ASP 59 HA ASP 59 0.548 19.237 -29.236 427 1HB ASP 59 1HB ASP 59 3.078 18.490 -28.853 428 2HB ASP 59 2HB ASP 59 3.101 18.538 -30.606 429 H LYS 60 H LYS 60 0.944 20.396 -31.330 430 HA LYS 60 HA LYS 60 -0.761 19.348 -33.320 431 1HB LYS 60 1HB LYS 60 1.267 21.555 -33.656 432 2HB LYS 60 2HB LYS 60 -0.255 21.362 -34.513 433 1HG LYS 60 1HG LYS 60 -1.512 21.954 -32.601 434 2HG LYS 60 2HG LYS 60 -0.101 21.823 -31.550 435 1HD LYS 60 1HD LYS 60 -0.545 23.874 -33.714 436 2HD LYS 60 2HD LYS 60 -0.615 24.148 -31.973 437 1HE LYS 60 1HE LYS 60 1.831 23.252 -33.496 438 2HE LYS 60 2HE LYS 60 1.509 24.904 -32.975 439 1HZ LYS 60 1HZ LYS 60 2.923 23.995 -31.369 440 2HZ LYS 60 2HZ LYS 60 2.069 22.536 -31.278 441 3HZ LYS 60 3HZ LYS 60 1.390 23.963 -30.650 442 H GLU 61 H GLU 61 2.728 19.759 -33.082 443 HA GLU 61 HA GLU 61 3.272 18.819 -35.719 444 1HB GLU 61 1HB GLU 61 5.074 19.236 -33.334 445 2HB GLU 61 2HB GLU 61 5.640 18.858 -34.957 446 1HG GLU 61 1HG GLU 61 4.806 20.919 -35.810 447 2HG GLU 61 2HG GLU 61 3.980 21.274 -34.294 448 H ASP 62 H ASP 62 3.302 17.373 -32.498 449 HA ASP 62 HA ASP 62 4.518 14.947 -33.244 450 1HB ASP 62 1HB ASP 62 2.661 15.631 -30.965 451 2HB ASP 62 2HB ASP 62 3.384 14.037 -31.164 452 H LEU 63 H LEU 63 1.198 16.071 -33.425 453 HA LEU 63 HA LEU 63 0.133 13.528 -34.195 454 1HB LEU 63 1HB LEU 63 -0.959 16.317 -34.570 455 2HB LEU 63 2HB LEU 63 -1.843 14.848 -34.933 456 HG LEU 63 HG LEU 63 -0.951 15.808 -32.214 457 1HD1 LEU 63 1HD1 LEU 63 -3.341 15.892 -31.760 458 2HD1 LEU 63 2HD1 LEU 63 -3.685 15.335 -33.398 459 3HD1 LEU 63 3HD1 LEU 63 -2.933 16.910 -33.141 460 1HD2 LEU 63 1HD2 LEU 63 -2.353 13.238 -32.956 461 2HD2 LEU 63 2HD2 LEU 63 -2.025 13.809 -31.319 462 3HD2 LEU 63 3HD2 LEU 63 -0.690 13.375 -32.385 463 H ALA 64 H ALA 64 1.168 16.441 -35.928 464 HA ALA 64 HA ALA 64 0.411 15.655 -38.504 465 1HB ALA 64 1HB ALA 64 1.924 17.375 -39.307 466 2HB ALA 64 2HB ALA 64 2.710 17.444 -37.731 467 3HB ALA 64 3HB ALA 64 1.030 17.955 -37.901 468 H GLU 65 H GLU 65 3.558 15.323 -36.873 469 HA GLU 65 HA GLU 65 4.855 14.056 -39.019 470 1HB GLU 65 1HB GLU 65 5.393 14.573 -36.188 471 2HB GLU 65 2HB GLU 65 6.153 13.115 -36.799 472 1HG GLU 65 1HG GLU 65 7.639 15.030 -36.961 473 2HG GLU 65 2HG GLU 65 7.241 14.386 -38.552 474 H TYR 66 H TYR 66 3.039 12.770 -36.277 475 HA TYR 66 HA TYR 66 3.638 10.047 -36.818 476 1HB TYR 66 1HB TYR 66 2.893 10.731 -34.602 477 2HB TYR 66 2HB TYR 66 1.350 11.266 -35.259 478 HD1 TYR 66 HD1 TYR 66 -0.449 9.783 -35.416 479 HD2 TYR 66 HD2 TYR 66 3.467 8.233 -34.803 480 HE1 TYR 66 HE1 TYR 66 -1.398 7.544 -35.063 481 HE2 TYR 66 HE2 TYR 66 2.527 5.988 -34.449 482 HH TYR 66 HH TYR 66 0.270 5.033 -33.687 483 H TYR 67 H TYR 67 1.019 12.202 -37.775 484 HA TYR 67 HA TYR 67 -0.665 10.347 -38.984 485 1HB TYR 67 1HB TYR 67 -1.782 12.288 -39.032 486 2HB TYR 67 2HB TYR 67 -0.307 13.234 -38.987 487 HD1 TYR 67 HD1 TYR 67 -2.410 11.266 -41.389 488 HD2 TYR 67 HD2 TYR 67 0.246 14.539 -40.802 489 HE1 TYR 67 HE1 TYR 67 -2.784 11.983 -43.715 490 HE2 TYR 67 HE2 TYR 67 -0.118 15.259 -43.122 491 HH TYR 67 HH TYR 67 -0.804 14.210 -45.283 492 H GLU 68 H GLU 68 2.094 12.095 -40.335 493 HA GLU 68 HA GLU 68 1.787 10.889 -42.914 494 1HB GLU 68 1HB GLU 68 4.064 12.480 -41.719 495 2HB GLU 68 2HB GLU 68 4.003 11.946 -43.395 496 1HG GLU 68 1HG GLU 68 1.884 13.220 -43.658 497 2HG GLU 68 2HG GLU 68 2.117 13.852 -42.030 498 H GLU 69 H GLU 69 3.484 10.050 -40.001 499 HA GLU 69 HA GLU 69 5.226 8.147 -41.279 500 1HB GLU 69 1HB GLU 69 4.703 9.035 -38.507 501 2HB GLU 69 2HB GLU 69 5.288 7.389 -38.693 502 1HG GLU 69 1HG GLU 69 6.643 9.853 -39.770 503 2HG GLU 69 2HG GLU 69 7.104 8.978 -38.308 504 H ALA 70 H ALA 70 2.178 8.009 -39.506 505 HA ALA 70 HA ALA 70 2.109 5.121 -39.588 506 1HB ALA 70 1HB ALA 70 -0.010 7.087 -38.725 507 2HB ALA 70 2HB ALA 70 1.198 6.349 -37.672 508 3HB ALA 70 3HB ALA 70 -0.027 5.345 -38.447 509 H GLY 71 H GLY 71 0.906 7.763 -41.496 510 1HA GLY 71 1HA GLY 71 -0.137 7.707 -43.571 511 2HA GLY 71 2HA GLY 71 -0.138 5.947 -43.483 512 H ILE 72 H ILE 72 -1.509 8.599 -41.595 513 HA ILE 72 HA ILE 72 -3.811 6.967 -40.937 514 HB ILE 72 HB ILE 72 -3.205 9.825 -40.161 515 1HG1 ILE 72 1HG1 ILE 72 -2.680 7.247 -38.673 516 2HG1 ILE 72 2HG1 ILE 72 -1.453 8.267 -39.419 517 1HG2 ILE 72 1HG2 ILE 72 -5.130 7.823 -38.987 518 2HG2 ILE 72 2HG2 ILE 72 -5.557 9.261 -39.914 519 3HG2 ILE 72 3HG2 ILE 72 -4.791 9.425 -38.333 520 1HD1 ILE 72 1HD1 ILE 72 -2.077 10.081 -37.881 521 2HD1 ILE 72 2HD1 ILE 72 -1.504 8.635 -37.048 522 3HD1 ILE 72 3HD1 ILE 72 -3.229 8.996 -37.106 523 H HIS 73 H HIS 73 -5.914 7.327 -41.539 524 HA HIS 73 HA HIS 73 -6.536 8.393 -44.017 525 1HB HIS 73 1HB HIS 73 -7.979 6.864 -42.633 526 2HB HIS 73 2HB HIS 73 -8.423 8.258 -41.653 527 HD1 HIS 73 HD1 HIS 73 -9.055 6.623 -44.934 528 HD2 HIS 73 HD2 HIS 73 -10.166 10.097 -42.926 529 HE1 HIS 73 HE1 HIS 73 -11.012 7.558 -46.218 530 HE2 HIS 73 HE2 HIS 73 -11.550 9.750 -45.090 531 HA PRO 74 HA PRO 74 -5.609 12.652 -43.829 532 1HB PRO 74 1HB PRO 74 -8.065 13.301 -45.216 533 2HB PRO 74 2HB PRO 74 -6.407 13.335 -45.815 534 1HG PRO 74 1HG PRO 74 -8.451 11.245 -46.096 535 2HG PRO 74 2HG PRO 74 -6.982 11.512 -47.047 536 1HD PRO 74 1HD PRO 74 -7.227 9.429 -45.357 537 2HD PRO 74 2HD PRO 74 -5.672 10.255 -45.608 538 HA PRO 75 HA PRO 75 -8.324 14.041 -40.477 539 1HB PRO 75 1HB PRO 75 -5.975 15.334 -39.421 540 2HB PRO 75 2HB PRO 75 -6.854 13.961 -38.748 541 1HG PRO 75 1HG PRO 75 -4.308 13.816 -39.761 542 2HG PRO 75 2HG PRO 75 -5.423 12.442 -39.666 543 1HD PRO 75 1HD PRO 75 -4.756 14.183 -42.012 544 2HD PRO 75 2HD PRO 75 -5.008 12.424 -41.945 545 H GLU 76 H GLU 76 -8.729 16.307 -39.773 546 HA GLU 76 HA GLU 76 -8.713 18.043 -42.042 547 1HB GLU 76 1HB GLU 76 -9.456 18.714 -39.190 548 2HB GLU 76 2HB GLU 76 -9.929 19.593 -40.637 549 1HG GLU 76 1HG GLU 76 -11.179 17.579 -41.376 550 2HG GLU 76 2HG GLU 76 -10.809 16.835 -39.820 551 HA PRO 77 HA PRO 77 -4.929 20.195 -41.529 552 1HB PRO 77 1HB PRO 77 -5.772 22.794 -41.965 553 2HB PRO 77 2HB PRO 77 -5.339 21.638 -43.225 554 1HG PRO 77 1HG PRO 77 -8.035 22.405 -42.199 555 2HG PRO 77 2HG PRO 77 -7.526 22.038 -43.860 556 1HD PRO 77 1HD PRO 77 -8.897 20.264 -42.380 557 2HD PRO 77 2HD PRO 77 -7.628 19.748 -43.512 558 H ILE 78 H ILE 78 -3.797 21.078 -39.932 559 HA ILE 78 HA ILE 78 -5.286 21.879 -37.537 560 HB ILE 78 HB ILE 78 -3.207 21.375 -36.300 561 1HG1 ILE 78 1HG1 ILE 78 -2.170 20.348 -38.957 562 2HG1 ILE 78 2HG1 ILE 78 -1.655 21.851 -38.201 563 1HG2 ILE 78 1HG2 ILE 78 -4.179 19.122 -38.059 564 2HG2 ILE 78 2HG2 ILE 78 -4.910 19.654 -36.545 565 3HG2 ILE 78 3HG2 ILE 78 -3.299 18.937 -36.541 566 1HD1 ILE 78 1HD1 ILE 78 -0.061 20.039 -37.846 567 2HD1 ILE 78 2HD1 ILE 78 -1.311 19.108 -37.020 568 3HD1 ILE 78 3HD1 ILE 78 -0.739 20.625 -36.327 569 H ALA 79 H ALA 79 -4.031 23.437 -36.101 570 HA ALA 79 HA ALA 79 -3.376 25.781 -37.637 571 1HB ALA 79 1HB ALA 79 -3.192 26.903 -35.473 572 2HB ALA 79 2HB ALA 79 -3.344 25.351 -34.652 573 3HB ALA 79 3HB ALA 79 -4.696 25.990 -35.588 574 H ALA 80 H ALA 80 -1.503 25.001 -38.716 575 HA ALA 80 HA ALA 80 0.914 25.405 -37.130 576 1HB ALA 80 1HB ALA 80 0.610 22.979 -37.219 577 2HB ALA 80 2HB ALA 80 2.041 23.490 -38.115 578 3HB ALA 80 3HB ALA 80 0.569 23.050 -38.980 579 H ALA 81 H ALA 81 1.109 27.400 -38.132 580 HA ALA 81 HA ALA 81 1.832 27.280 -40.977 581 1HB ALA 81 1HB ALA 81 0.761 29.421 -41.366 582 2HB ALA 81 2HB ALA 81 0.253 29.499 -39.679 583 3HB ALA 81 3HB ALA 81 -0.408 28.258 -40.743 584 H ALA 82 H ALA 82 3.958 27.608 -41.001 585 HA ALA 82 HA ALA 82 4.999 29.979 -39.636 586 1HB ALA 82 1HB ALA 82 5.519 28.098 -38.170 587 2HB ALA 82 2HB ALA 82 6.991 28.744 -38.892 588 3HB ALA 82 3HB ALA 82 6.289 27.249 -39.511 Start of MODEL 9 1 1H MET 1 1H MET 1 -11.503 6.002 -12.240 2 HA MET 1 HA MET 1 -14.230 6.879 -12.877 3 1HB MET 1 1HB MET 1 -12.706 7.308 -10.311 4 2HB MET 1 2HB MET 1 -14.215 8.118 -10.703 5 1HG MET 1 1HG MET 1 -15.356 5.974 -10.800 6 2HG MET 1 2HG MET 1 -13.844 5.142 -10.439 7 1HE MET 1 1HE MET 1 -15.012 3.868 -8.430 8 2HE MET 1 2HE MET 1 -16.525 4.693 -8.808 9 3HE MET 1 3HE MET 1 -15.917 4.683 -7.153 10 H SER 2 H SER 2 -11.012 7.920 -12.029 11 HA SER 2 HA SER 2 -11.322 10.237 -13.796 12 1HB SER 2 1HB SER 2 -9.893 10.275 -11.121 13 2HB SER 2 2HB SER 2 -10.106 11.639 -12.219 14 HG SER 2 HG SER 2 -11.781 11.959 -10.956 15 H THR 3 H THR 3 -9.332 10.969 -14.749 16 HA THR 3 HA THR 3 -7.453 8.874 -15.258 17 HB THR 3 HB THR 3 -6.212 10.720 -16.504 18 HG1 THR 3 HG1 THR 3 -7.348 12.636 -16.834 19 1HG2 THR 3 1HG2 THR 3 -9.084 10.134 -17.224 20 2HG2 THR 3 2HG2 THR 3 -7.681 9.149 -17.641 21 3HG2 THR 3 3HG2 THR 3 -7.865 10.763 -18.331 22 H TYR 4 H TYR 4 -5.869 8.320 -13.958 23 HA TYR 4 HA TYR 4 -5.188 10.012 -11.719 24 1HB TYR 4 1HB TYR 4 -5.579 7.473 -11.682 25 2HB TYR 4 2HB TYR 4 -3.968 7.335 -12.373 26 HD1 TYR 4 HD1 TYR 4 -2.001 7.804 -11.035 27 HD2 TYR 4 HD2 TYR 4 -5.900 8.227 -9.393 28 HE1 TYR 4 HE1 TYR 4 -1.035 7.886 -8.777 29 HE2 TYR 4 HE2 TYR 4 -4.944 8.312 -7.128 30 HH TYR 4 HH TYR 4 -1.554 8.650 -6.579 31 H ASP 5 H ASP 5 -3.876 9.304 -14.811 32 HA ASP 5 HA ASP 5 -1.418 10.740 -14.088 33 1HB ASP 5 1HB ASP 5 -1.566 8.283 -15.845 34 2HB ASP 5 2HB ASP 5 -0.136 9.286 -15.650 35 H GLU 6 H GLU 6 -0.344 11.740 -15.866 36 HA GLU 6 HA GLU 6 -1.701 11.799 -18.441 37 1HB GLU 6 1HB GLU 6 -2.650 13.731 -17.263 38 2HB GLU 6 2HB GLU 6 -1.036 14.302 -16.865 39 1HG GLU 6 1HG GLU 6 -0.561 14.802 -19.140 40 2HG GLU 6 2HG GLU 6 -2.024 13.986 -19.686 41 H ILE 7 H ILE 7 -0.128 11.102 -19.734 42 HA ILE 7 HA ILE 7 2.635 12.001 -19.192 43 HB ILE 7 HB ILE 7 2.100 9.483 -20.728 44 1HG1 ILE 7 1HG1 ILE 7 2.576 8.430 -18.299 45 2HG1 ILE 7 2HG1 ILE 7 1.661 9.855 -17.813 46 1HG2 ILE 7 1HG2 ILE 7 4.262 8.824 -19.774 47 2HG2 ILE 7 2HG2 ILE 7 4.332 10.354 -18.901 48 3HG2 ILE 7 3HG2 ILE 7 4.363 10.343 -20.665 49 1HD1 ILE 7 1HD1 ILE 7 -0.176 9.168 -19.249 50 2HD1 ILE 7 2HD1 ILE 7 0.230 7.913 -18.077 51 3HD1 ILE 7 3HD1 ILE 7 0.747 7.752 -19.758 52 H GLU 8 H GLU 8 3.999 12.308 -21.039 53 HA GLU 8 HA GLU 8 2.755 13.582 -23.232 54 1HB GLU 8 1HB GLU 8 5.583 12.555 -22.915 55 2HB GLU 8 2HB GLU 8 5.040 13.561 -24.247 56 1HG GLU 8 1HG GLU 8 6.161 14.969 -22.715 57 2HG GLU 8 2HG GLU 8 4.439 15.312 -22.569 58 H ILE 9 H ILE 9 2.400 12.929 -25.306 59 HA ILE 9 HA ILE 9 1.809 10.266 -25.904 60 HB ILE 9 HB ILE 9 0.893 12.151 -27.174 61 1HG1 ILE 9 1HG1 ILE 9 2.515 10.318 -28.946 62 2HG1 ILE 9 2HG1 ILE 9 0.960 9.920 -28.226 63 1HG2 ILE 9 1HG2 ILE 9 2.258 13.322 -28.859 64 2HG2 ILE 9 2HG2 ILE 9 3.688 12.486 -28.249 65 3HG2 ILE 9 3HG2 ILE 9 2.815 13.613 -27.209 66 1HD1 ILE 9 1HD1 ILE 9 0.700 10.555 -30.551 67 2HD1 ILE 9 2HD1 ILE 9 1.477 12.106 -30.233 68 3HD1 ILE 9 3HD1 ILE 9 -0.082 11.734 -29.499 69 H GLU 10 H GLU 10 4.744 12.054 -26.102 70 HA GLU 10 HA GLU 10 6.263 10.430 -27.810 71 1HB GLU 10 1HB GLU 10 6.830 12.731 -27.175 72 2HB GLU 10 2HB GLU 10 7.124 12.208 -25.526 73 1HG GLU 10 1HG GLU 10 8.968 10.793 -26.332 74 2HG GLU 10 2HG GLU 10 8.695 11.411 -27.963 75 H ASP 11 H ASP 11 5.420 10.093 -24.438 76 HA ASP 11 HA ASP 11 7.597 8.282 -23.844 77 1HB ASP 11 1HB ASP 11 6.725 9.824 -22.112 78 2HB ASP 11 2HB ASP 11 5.176 8.989 -22.170 79 H MET 12 H MET 12 4.219 8.095 -24.697 80 HA MET 12 HA MET 12 3.824 5.371 -24.006 81 1HB MET 12 1HB MET 12 2.372 7.117 -26.005 82 2HB MET 12 2HB MET 12 1.838 5.518 -25.506 83 1HG MET 12 1HG MET 12 1.634 6.319 -23.198 84 2HG MET 12 2HG MET 12 2.129 7.925 -23.729 85 1HE MET 12 1HE MET 12 -1.764 5.884 -25.154 86 2HE MET 12 2HE MET 12 -0.652 5.134 -24.008 87 3HE MET 12 3HE MET 12 -0.150 5.397 -25.677 88 H THR 13 H THR 13 3.419 3.620 -25.574 89 HA THR 13 HA THR 13 5.589 3.481 -27.490 90 HB THR 13 HB THR 13 3.536 1.370 -26.818 91 HG1 THR 13 HG1 THR 13 5.324 2.382 -25.195 92 1HG2 THR 13 1HG2 THR 13 6.281 1.199 -28.071 93 2HG2 THR 13 2HG2 THR 13 4.742 0.948 -28.893 94 3HG2 THR 13 3HG2 THR 13 5.268 -0.182 -27.645 95 H PHE 14 H PHE 14 5.269 4.285 -29.436 96 HA PHE 14 HA PHE 14 2.673 4.712 -30.539 97 1HB PHE 14 1HB PHE 14 3.968 5.531 -32.534 98 2HB PHE 14 2HB PHE 14 4.339 6.344 -31.020 99 HD1 PHE 14 HD1 PHE 14 5.591 4.162 -33.653 100 HD2 PHE 14 HD2 PHE 14 6.491 6.017 -29.929 101 HE1 PHE 14 HE1 PHE 14 7.983 3.694 -34.002 102 HE2 PHE 14 HE2 PHE 14 8.881 5.549 -30.271 103 HZ PHE 14 HZ PHE 14 9.632 4.385 -32.310 104 H GLU 15 H GLU 15 1.593 3.603 -32.068 105 HA GLU 15 HA GLU 15 2.988 1.396 -33.424 106 1HB GLU 15 1HB GLU 15 0.144 1.415 -32.406 107 2HB GLU 15 2HB GLU 15 0.797 0.190 -33.482 108 1HG GLU 15 1HG GLU 15 2.518 -0.294 -31.717 109 2HG GLU 15 2HG GLU 15 1.592 0.756 -30.643 110 HA PRO 16 HA PRO 16 1.510 4.408 -36.583 111 1HB PRO 16 1HB PRO 16 3.427 3.652 -38.405 112 2HB PRO 16 2HB PRO 16 3.648 4.926 -37.203 113 1HG PRO 16 1HG PRO 16 4.549 2.078 -37.138 114 2HG PRO 16 2HG PRO 16 5.405 3.539 -36.612 115 1HD PRO 16 1HD PRO 16 4.218 1.872 -34.866 116 2HD PRO 16 2HD PRO 16 4.271 3.627 -34.598 117 H GLU 17 H GLU 17 2.322 1.022 -36.758 118 HA GLU 17 HA GLU 17 1.137 0.380 -39.221 119 1HB GLU 17 1HB GLU 17 1.505 -1.357 -36.773 120 2HB GLU 17 2HB GLU 17 1.191 -1.939 -38.403 121 1HG GLU 17 1HG GLU 17 3.307 -1.182 -39.169 122 2HG GLU 17 2HG GLU 17 3.604 -0.307 -37.666 123 H ASN 18 H ASN 18 -0.214 1.027 -36.116 124 HA ASN 18 HA ASN 18 -2.842 0.081 -37.049 125 1HB ASN 18 1HB ASN 18 -1.672 0.130 -34.268 126 2HB ASN 18 2HB ASN 18 -3.389 -0.106 -34.578 127 1HD2 ASN 18 1HD2 ASN 18 -1.247 -1.865 -33.434 128 2HD2 ASN 18 2HD2 ASN 18 -1.337 -3.321 -34.364 129 H GLN 19 H GLN 19 -1.136 2.755 -36.766 130 HA GLN 19 HA GLN 19 -1.561 4.975 -36.664 131 1HB GLN 19 1HB GLN 19 -4.403 4.047 -37.103 132 2HB GLN 19 2HB GLN 19 -3.905 5.728 -37.143 133 1HG GLN 19 1HG GLN 19 -3.981 5.176 -39.370 134 2HG GLN 19 2HG GLN 19 -2.273 4.949 -38.998 135 1HE2 GLN 19 1HE2 GLN 19 -1.391 2.946 -39.165 136 2HE2 GLN 19 2HE2 GLN 19 -2.262 1.550 -39.706 137 H MET 20 H MET 20 -1.492 3.536 -34.141 138 HA MET 20 HA MET 20 -3.042 5.413 -32.540 139 1HB MET 20 1HB MET 20 -4.032 3.700 -31.148 140 2HB MET 20 2HB MET 20 -4.501 3.439 -32.822 141 1HG MET 20 1HG MET 20 -2.818 1.677 -33.013 142 2HG MET 20 2HG MET 20 -2.351 1.945 -31.334 143 1HE MET 20 1HE MET 20 -3.178 -0.907 -32.483 144 2HE MET 20 2HE MET 20 -4.178 -1.497 -31.157 145 3HE MET 20 3HE MET 20 -2.695 -0.609 -30.808 146 H PHE 21 H PHE 21 -2.542 5.094 -30.171 147 HA PHE 21 HA PHE 21 0.282 4.335 -29.834 148 1HB PHE 21 1HB PHE 21 -1.246 6.684 -28.736 149 2HB PHE 21 2HB PHE 21 0.192 6.078 -27.921 150 HD1 PHE 21 HD1 PHE 21 2.277 6.827 -28.553 151 HD2 PHE 21 HD2 PHE 21 -0.987 7.266 -31.249 152 HE1 PHE 21 HE1 PHE 21 3.709 8.126 -30.071 153 HE2 PHE 21 HE2 PHE 21 0.445 8.566 -32.771 154 HZ PHE 21 HZ PHE 21 2.794 8.997 -32.184 155 H THR 22 H THR 22 0.811 3.148 -28.048 156 HA THR 22 HA THR 22 -1.411 2.346 -26.304 157 HB THR 22 HB THR 22 -0.489 0.012 -26.333 158 HG1 THR 22 HG1 THR 22 1.334 1.254 -27.967 159 1HG2 THR 22 1HG2 THR 22 -2.480 0.634 -27.631 160 2HG2 THR 22 2HG2 THR 22 -1.533 -0.605 -28.452 161 3HG2 THR 22 3HG2 THR 22 -1.451 1.070 -28.998 162 H TYR 23 H TYR 23 -0.846 1.774 -24.201 163 HA TYR 23 HA TYR 23 1.957 2.334 -23.472 164 1HB TYR 23 1HB TYR 23 -0.013 3.942 -22.721 165 2HB TYR 23 2HB TYR 23 -0.259 2.703 -21.495 166 HD1 TYR 23 HD1 TYR 23 2.802 4.203 -22.997 167 HD2 TYR 23 HD2 TYR 23 0.556 3.475 -19.461 168 HE1 TYR 23 HE1 TYR 23 4.585 5.234 -21.666 169 HE2 TYR 23 HE2 TYR 23 2.340 4.503 -18.109 170 HH TYR 23 HH TYR 23 4.989 6.227 -19.589 171 HA PRO 24 HA PRO 24 1.866 -1.946 -22.413 172 1HB PRO 24 1HB PRO 24 4.221 -1.987 -21.012 173 2HB PRO 24 2HB PRO 24 4.111 -2.022 -22.774 174 1HG PRO 24 1HG PRO 24 4.644 0.295 -20.954 175 2HG PRO 24 2HG PRO 24 5.419 -0.122 -22.494 176 1HD PRO 24 1HD PRO 24 3.534 1.783 -22.328 177 2HD PRO 24 2HD PRO 24 3.664 0.720 -23.747 178 H CYS 25 H CYS 25 0.483 -2.636 -20.967 179 HA CYS 25 HA CYS 25 1.030 -2.164 -18.129 180 1HB CYS 25 1HB CYS 25 -0.839 -0.749 -18.575 181 2HB CYS 25 2HB CYS 25 -1.617 -1.971 -19.573 182 HA PRO 26 HA PRO 26 0.386 -6.582 -18.229 183 1HB PRO 26 1HB PRO 26 1.102 -6.916 -15.550 184 2HB PRO 26 2HB PRO 26 2.203 -6.964 -16.926 185 1HG PRO 26 1HG PRO 26 2.110 -5.016 -14.859 186 2HG PRO 26 2HG PRO 26 3.110 -4.989 -16.320 187 1HD PRO 26 1HD PRO 26 0.561 -3.585 -15.748 188 2HD PRO 26 2HD PRO 26 1.878 -3.135 -16.852 189 H CYS 27 H CYS 27 -1.595 -7.322 -18.192 190 HA CYS 27 HA CYS 27 -3.109 -7.776 -15.881 191 1HB CYS 27 1HB CYS 27 -5.000 -6.263 -16.236 192 2HB CYS 27 2HB CYS 27 -3.532 -5.317 -16.025 193 H GLY 28 H GLY 28 -3.330 -7.007 -19.305 194 1HA GLY 28 1HA GLY 28 -3.705 -9.569 -20.273 195 2HA GLY 28 2HA GLY 28 -5.316 -8.945 -19.933 196 H ASP 29 H ASP 29 -4.416 -6.182 -20.479 197 HA ASP 29 HA ASP 29 -3.798 -6.254 -23.327 198 1HB ASP 29 1HB ASP 29 -6.397 -6.147 -22.708 199 2HB ASP 29 2HB ASP 29 -6.016 -4.433 -22.546 200 H ARG 30 H ARG 30 -3.760 -3.753 -24.068 201 HA ARG 30 HA ARG 30 -2.078 -2.417 -22.036 202 1HB ARG 30 1HB ARG 30 -1.798 -1.884 -24.978 203 2HB ARG 30 2HB ARG 30 -0.621 -1.653 -23.698 204 1HG ARG 30 1HG ARG 30 0.247 -3.466 -24.796 205 2HG ARG 30 2HG ARG 30 -0.706 -4.254 -23.536 206 1HD ARG 30 1HD ARG 30 -2.586 -4.416 -25.196 207 2HD ARG 30 2HD ARG 30 -1.464 -3.843 -26.427 208 HE ARG 30 HE ARG 30 -0.101 -5.887 -25.785 209 1HH1 ARG 30 1HH1 ARG 30 -3.606 -5.736 -25.564 210 2HH1 ARG 30 2HH1 ARG 30 -3.804 -7.463 -25.705 211 1HH2 ARG 30 1HH2 ARG 30 -0.381 -8.165 -25.949 212 2HH2 ARG 30 2HH2 ARG 30 -1.992 -8.824 -25.921 213 H PHE 31 H PHE 31 -2.179 -0.091 -21.968 214 HA PHE 31 HA PHE 31 -4.659 1.133 -22.370 215 1HB PHE 31 1HB PHE 31 -1.892 2.350 -22.236 216 2HB PHE 31 2HB PHE 31 -3.367 3.304 -22.267 217 HD1 PHE 31 HD1 PHE 31 -4.816 3.421 -20.348 218 HD2 PHE 31 HD2 PHE 31 -1.257 1.083 -20.273 219 HE1 PHE 31 HE1 PHE 31 -4.958 3.288 -17.896 220 HE2 PHE 31 HE2 PHE 31 -1.398 0.941 -17.820 221 HZ PHE 31 HZ PHE 31 -3.248 2.044 -16.630 222 H GLN 32 H GLN 32 -5.679 1.594 -24.224 223 HA GLN 32 HA GLN 32 -4.023 1.987 -26.628 224 1HB GLN 32 1HB GLN 32 -6.733 0.693 -26.339 225 2HB GLN 32 2HB GLN 32 -6.002 1.080 -27.888 226 1HG GLN 32 1HG GLN 32 -4.176 -0.433 -27.451 227 2HG GLN 32 2HG GLN 32 -4.801 -0.762 -25.834 228 1HE2 GLN 32 1HE2 GLN 32 -6.609 -2.026 -25.594 229 2HE2 GLN 32 2HE2 GLN 32 -7.222 -3.019 -26.864 230 H ILE 33 H ILE 33 -4.326 3.763 -27.814 231 HA ILE 33 HA ILE 33 -6.847 5.201 -27.708 232 HB ILE 33 HB ILE 33 -5.587 6.319 -25.964 233 1HG1 ILE 33 1HG1 ILE 33 -5.612 8.000 -28.479 234 2HG1 ILE 33 2HG1 ILE 33 -7.022 7.663 -27.478 235 1HG2 ILE 33 1HG2 ILE 33 -3.334 5.702 -26.647 236 2HG2 ILE 33 2HG2 ILE 33 -3.469 7.448 -26.420 237 3HG2 ILE 33 3HG2 ILE 33 -3.458 6.767 -28.047 238 1HD1 ILE 33 1HD1 ILE 33 -4.551 9.129 -26.589 239 2HD1 ILE 33 2HD1 ILE 33 -5.993 8.832 -25.619 240 3HD1 ILE 33 3HD1 ILE 33 -6.084 9.871 -27.041 241 H TYR 34 H TYR 34 -7.365 6.067 -29.687 242 HA TYR 34 HA TYR 34 -5.438 5.586 -31.824 243 1HB TYR 34 1HB TYR 34 -8.409 6.020 -31.766 244 2HB TYR 34 2HB TYR 34 -7.507 6.201 -33.267 245 HD1 TYR 34 HD1 TYR 34 -6.549 4.287 -34.382 246 HD2 TYR 34 HD2 TYR 34 -8.655 3.822 -30.714 247 HE1 TYR 34 HE1 TYR 34 -6.653 1.861 -34.758 248 HE2 TYR 34 HE2 TYR 34 -8.765 1.394 -31.080 249 HH TYR 34 HH TYR 34 -6.897 -0.192 -33.408 250 H LEU 35 H LEU 35 -4.908 7.163 -33.361 251 HA LEU 35 HA LEU 35 -4.323 9.689 -32.313 252 1HB LEU 35 1HB LEU 35 -3.493 8.256 -34.450 253 2HB LEU 35 2HB LEU 35 -4.517 9.427 -35.255 254 HG LEU 35 HG LEU 35 -2.168 10.120 -35.250 255 1HD1 LEU 35 1HD1 LEU 35 -2.452 12.373 -34.363 256 2HD1 LEU 35 2HD1 LEU 35 -3.900 11.854 -33.501 257 3HD1 LEU 35 3HD1 LEU 35 -3.875 11.849 -35.264 258 1HD2 LEU 35 1HD2 LEU 35 -2.442 10.204 -32.252 259 2HD2 LEU 35 2HD2 LEU 35 -1.040 10.723 -33.189 260 3HD2 LEU 35 3HD2 LEU 35 -1.505 9.021 -33.164 261 H ASP 36 H ASP 36 -7.042 8.526 -34.158 262 HA ASP 36 HA ASP 36 -8.146 10.958 -34.991 263 1HB ASP 36 1HB ASP 36 -8.865 8.746 -35.825 264 2HB ASP 36 2HB ASP 36 -9.592 8.404 -34.259 265 H ASP 37 H ASP 37 -8.537 9.126 -31.990 266 HA ASP 37 HA ASP 37 -10.526 10.784 -30.840 267 1HB ASP 37 1HB ASP 37 -8.477 9.016 -29.478 268 2HB ASP 37 2HB ASP 37 -9.880 9.730 -28.694 269 H MET 38 H MET 38 -7.034 10.837 -30.867 270 HA MET 38 HA MET 38 -6.704 12.840 -28.881 271 1HB MET 38 1HB MET 38 -4.795 12.192 -31.127 272 2HB MET 38 2HB MET 38 -4.404 12.931 -29.581 273 1HG MET 38 1HG MET 38 -5.135 10.815 -28.480 274 2HG MET 38 2HG MET 38 -5.285 10.106 -30.086 275 1HE MET 38 1HE MET 38 -2.991 11.421 -27.311 276 2HE MET 38 2HE MET 38 -2.555 12.582 -28.567 277 3HE MET 38 3HE MET 38 -1.379 11.385 -28.027 278 H PHE 39 H PHE 39 -6.985 12.883 -32.393 279 HA PHE 39 HA PHE 39 -6.457 15.617 -32.811 280 1HB PHE 39 1HB PHE 39 -6.515 13.903 -34.605 281 2HB PHE 39 2HB PHE 39 -8.258 13.775 -34.408 282 HD1 PHE 39 HD1 PHE 39 -9.709 15.263 -35.493 283 HD2 PHE 39 HD2 PHE 39 -5.536 16.071 -35.405 284 HE1 PHE 39 HE1 PHE 39 -10.028 17.070 -37.137 285 HE2 PHE 39 HE2 PHE 39 -5.844 17.877 -37.043 286 HZ PHE 39 HZ PHE 39 -8.096 18.383 -37.911 287 H GLU 40 H GLU 40 -9.299 13.889 -31.795 288 HA GLU 40 HA GLU 40 -11.230 15.907 -32.122 289 1HB GLU 40 1HB GLU 40 -11.023 13.561 -30.238 290 2HB GLU 40 2HB GLU 40 -12.427 14.615 -30.288 291 1HG GLU 40 1HG GLU 40 -11.445 13.297 -32.778 292 2HG GLU 40 2HG GLU 40 -12.431 12.404 -31.622 293 H GLY 41 H GLY 41 -8.646 15.567 -29.888 294 1HA GLY 41 1HA GLY 41 -8.013 17.287 -28.366 295 2HA GLY 41 2HA GLY 41 -9.695 17.798 -28.289 296 H GLU 42 H GLU 42 -9.793 14.566 -28.223 297 HA GLU 42 HA GLU 42 -10.113 14.491 -25.321 298 1HB GLU 42 1HB GLU 42 -11.887 13.610 -26.899 299 2HB GLU 42 2HB GLU 42 -10.751 12.362 -27.385 300 1HG GLU 42 1HG GLU 42 -12.147 11.339 -25.829 301 2HG GLU 42 2HG GLU 42 -10.669 11.701 -24.938 302 H LYS 43 H LYS 43 -8.134 14.254 -24.434 303 HA LYS 43 HA LYS 43 -6.310 12.286 -25.606 304 1HB LYS 43 1HB LYS 43 -4.617 13.434 -24.157 305 2HB LYS 43 2HB LYS 43 -5.328 14.426 -25.429 306 1HG LYS 43 1HG LYS 43 -6.852 15.416 -23.850 307 2HG LYS 43 2HG LYS 43 -6.209 14.397 -22.563 308 1HD LYS 43 1HD LYS 43 -4.071 15.443 -22.747 309 2HD LYS 43 2HD LYS 43 -4.623 16.393 -24.134 310 1HE LYS 43 1HE LYS 43 -4.852 17.860 -22.326 311 2HE LYS 43 2HE LYS 43 -6.474 17.218 -22.614 312 1HZ LYS 43 1HZ LYS 43 -4.578 16.336 -20.489 313 2HZ LYS 43 2HZ LYS 43 -6.077 15.605 -20.812 314 3HZ LYS 43 3HZ LYS 43 -6.016 17.209 -20.269 315 H VAL 44 H VAL 44 -6.875 10.378 -24.742 316 HA VAL 44 HA VAL 44 -6.099 9.810 -22.091 317 HB VAL 44 HB VAL 44 -8.149 10.752 -21.361 318 1HG1 VAL 44 1HG1 VAL 44 -9.548 9.086 -23.446 319 2HG1 VAL 44 2HG1 VAL 44 -9.317 10.834 -23.485 320 3HG1 VAL 44 3HG1 VAL 44 -10.336 10.108 -22.242 321 1HG2 VAL 44 1HG2 VAL 44 -7.591 8.641 -20.284 322 2HG2 VAL 44 2HG2 VAL 44 -8.516 7.762 -21.502 323 3HG2 VAL 44 3HG2 VAL 44 -9.340 8.854 -20.388 324 H ALA 45 H ALA 45 -5.369 7.801 -22.086 325 HA ALA 45 HA ALA 45 -6.342 5.966 -24.166 326 1HB ALA 45 1HB ALA 45 -3.868 5.749 -22.453 327 2HB ALA 45 2HB ALA 45 -3.920 6.358 -24.109 328 3HB ALA 45 3HB ALA 45 -4.324 4.675 -23.774 329 H VAL 46 H VAL 46 -7.289 4.067 -23.671 330 HA VAL 46 HA VAL 46 -7.918 3.626 -20.818 331 HB VAL 46 HB VAL 46 -9.520 2.722 -23.224 332 1HG1 VAL 46 1HG1 VAL 46 -11.292 2.298 -21.567 333 2HG1 VAL 46 2HG1 VAL 46 -10.159 2.710 -20.278 334 3HG1 VAL 46 3HG1 VAL 46 -9.858 1.305 -21.302 335 1HG2 VAL 46 1HG2 VAL 46 -9.540 5.155 -23.081 336 2HG2 VAL 46 2HG2 VAL 46 -10.033 5.063 -21.390 337 3HG2 VAL 46 3HG2 VAL 46 -11.117 4.489 -22.659 338 H CYS 47 H CYS 47 -7.311 1.727 -19.931 339 HA CYS 47 HA CYS 47 -6.248 -0.327 -21.730 340 1HB CYS 47 1HB CYS 47 -4.867 0.600 -19.763 341 2HB CYS 47 2HB CYS 47 -5.948 -0.334 -18.734 342 HA PRO 48 HA PRO 48 -9.969 -2.662 -20.713 343 1HB PRO 48 1HB PRO 48 -9.364 -4.640 -22.520 344 2HB PRO 48 2HB PRO 48 -10.286 -3.187 -22.914 345 1HG PRO 48 1HG PRO 48 -7.439 -3.833 -23.461 346 2HG PRO 48 2HG PRO 48 -8.586 -2.882 -24.418 347 1HD PRO 48 1HD PRO 48 -6.611 -1.797 -22.859 348 2HD PRO 48 2HD PRO 48 -8.113 -0.957 -23.288 349 H SER 49 H SER 49 -10.217 -4.714 -19.740 350 HA SER 49 HA SER 49 -9.627 -6.676 -18.727 351 1HB SER 49 1HB SER 49 -7.713 -7.087 -20.147 352 2HB SER 49 2HB SER 49 -6.760 -5.885 -19.282 353 HG SER 49 HG SER 49 -6.314 -7.317 -17.824 354 H CYS 50 H CYS 50 -7.319 -4.077 -17.800 355 HA CYS 50 HA CYS 50 -8.030 -4.626 -15.015 356 1HB CYS 50 1HB CYS 50 -6.227 -3.138 -14.389 357 2HB CYS 50 2HB CYS 50 -5.642 -4.276 -15.596 358 H SER 51 H SER 51 -8.519 -2.315 -17.524 359 HA SER 51 HA SER 51 -10.044 -0.683 -17.831 360 1HB SER 51 1HB SER 51 -11.552 -2.283 -16.552 361 2HB SER 51 2HB SER 51 -11.214 -1.314 -15.120 362 HG SER 51 HG SER 51 -12.778 -0.737 -17.332 363 H LEU 52 H LEU 52 -8.019 0.583 -17.554 364 HA LEU 52 HA LEU 52 -8.487 2.613 -15.493 365 1HB LEU 52 1HB LEU 52 -6.582 1.188 -14.816 366 2HB LEU 52 2HB LEU 52 -5.784 1.553 -16.332 367 HG LEU 52 HG LEU 52 -5.609 3.911 -15.686 368 1HD1 LEU 52 1HD1 LEU 52 -7.603 4.069 -14.296 369 2HD1 LEU 52 2HD1 LEU 52 -6.178 4.617 -13.414 370 3HD1 LEU 52 3HD1 LEU 52 -6.859 3.023 -13.089 371 1HD2 LEU 52 1HD2 LEU 52 -3.959 3.641 -13.910 372 2HD2 LEU 52 2HD2 LEU 52 -3.793 2.379 -15.132 373 3HD2 LEU 52 3HD2 LEU 52 -4.563 2.015 -13.587 374 H MET 53 H MET 53 -7.716 4.713 -16.101 375 HA MET 53 HA MET 53 -7.240 5.135 -18.960 376 1HB MET 53 1HB MET 53 -9.427 6.478 -17.355 377 2HB MET 53 2HB MET 53 -8.953 6.932 -18.986 378 1HG MET 53 1HG MET 53 -9.744 4.917 -19.886 379 2HG MET 53 2HG MET 53 -9.894 4.180 -18.294 380 1HE MET 53 1HE MET 53 -11.210 6.572 -16.634 381 2HE MET 53 2HE MET 53 -11.726 4.891 -16.513 382 3HE MET 53 3HE MET 53 -12.918 6.166 -16.784 383 H ILE 54 H ILE 54 -5.919 6.830 -19.384 384 HA ILE 54 HA ILE 54 -5.406 8.805 -17.282 385 HB ILE 54 HB ILE 54 -3.062 8.654 -17.341 386 1HG1 ILE 54 1HG1 ILE 54 -2.770 8.346 -19.773 387 2HG1 ILE 54 2HG1 ILE 54 -1.754 7.256 -18.845 388 1HG2 ILE 54 1HG2 ILE 54 -2.550 6.320 -16.712 389 2HG2 ILE 54 2HG2 ILE 54 -4.135 5.839 -17.321 390 3HG2 ILE 54 3HG2 ILE 54 -4.015 6.941 -15.950 391 1HD1 ILE 54 1HD1 ILE 54 -4.327 6.533 -20.215 392 2HD1 ILE 54 2HD1 ILE 54 -3.312 5.435 -19.279 393 3HD1 ILE 54 3HD1 ILE 54 -2.700 6.150 -20.771 394 H ASP 55 H ASP 55 -4.560 10.801 -18.084 395 HA ASP 55 HA ASP 55 -5.438 11.448 -20.748 396 1HB ASP 55 1HB ASP 55 -4.110 12.972 -18.527 397 2HB ASP 55 2HB ASP 55 -4.162 13.658 -20.140 398 H VAL 56 H VAL 56 -4.071 12.310 -22.434 399 HA VAL 56 HA VAL 56 -1.224 11.641 -22.164 400 HB VAL 56 HB VAL 56 -2.155 9.844 -23.446 401 1HG1 VAL 56 1HG1 VAL 56 -4.211 10.909 -24.192 402 2HG1 VAL 56 2HG1 VAL 56 -3.349 10.173 -25.544 403 3HG1 VAL 56 3HG1 VAL 56 -3.294 11.921 -25.308 404 1HG2 VAL 56 1HG2 VAL 56 -0.717 11.776 -25.264 405 2HG2 VAL 56 2HG2 VAL 56 -0.893 10.042 -25.536 406 3HG2 VAL 56 3HG2 VAL 56 0.032 10.627 -24.153 407 H VAL 57 H VAL 57 0.079 13.251 -22.619 408 HA VAL 57 HA VAL 57 -0.989 15.729 -23.662 409 HB VAL 57 HB VAL 57 1.821 15.046 -22.776 410 1HG1 VAL 57 1HG1 VAL 57 0.553 17.723 -23.349 411 2HG1 VAL 57 2HG1 VAL 57 1.779 16.925 -24.335 412 3HG1 VAL 57 3HG1 VAL 57 2.173 17.465 -22.703 413 1HG2 VAL 57 1HG2 VAL 57 0.223 14.877 -20.958 414 2HG2 VAL 57 2HG2 VAL 57 -0.406 16.479 -21.341 415 3HG2 VAL 57 3HG2 VAL 57 1.246 16.298 -20.749 416 H PHE 58 H PHE 58 -1.182 15.979 -25.782 417 HA PHE 58 HA PHE 58 0.948 14.930 -27.524 418 1HB PHE 58 1HB PHE 58 -0.740 14.972 -29.344 419 2HB PHE 58 2HB PHE 58 -1.196 13.898 -28.028 420 HD1 PHE 58 HD1 PHE 58 -1.932 17.077 -29.714 421 HD2 PHE 58 HD2 PHE 58 -3.125 14.352 -26.667 422 HE1 PHE 58 HE1 PHE 58 -4.101 18.221 -29.542 423 HE2 PHE 58 HE2 PHE 58 -5.296 15.494 -26.494 424 HZ PHE 58 HZ PHE 58 -5.787 17.430 -27.933 425 H ASP 59 H ASP 59 1.422 16.265 -29.449 426 HA ASP 59 HA ASP 59 0.878 19.120 -28.971 427 1HB ASP 59 1HB ASP 59 3.343 18.242 -28.869 428 2HB ASP 59 2HB ASP 59 3.208 18.195 -30.617 429 H LYS 60 H LYS 60 0.684 20.423 -30.884 430 HA LYS 60 HA LYS 60 -1.037 19.284 -32.805 431 1HB LYS 60 1HB LYS 60 0.455 21.914 -32.813 432 2HB LYS 60 2HB LYS 60 -0.774 21.471 -33.985 433 1HG LYS 60 1HG LYS 60 -1.891 22.822 -32.452 434 2HG LYS 60 2HG LYS 60 -2.336 21.180 -31.991 435 1HD LYS 60 1HD LYS 60 -0.711 21.212 -30.194 436 2HD LYS 60 2HD LYS 60 -0.159 22.816 -30.685 437 1HE LYS 60 1HE LYS 60 -2.974 22.182 -29.803 438 2HE LYS 60 2HE LYS 60 -1.721 22.806 -28.733 439 1HZ LYS 60 1HZ LYS 60 -3.314 24.482 -29.730 440 2HZ LYS 60 2HZ LYS 60 -2.521 24.232 -31.209 441 3HZ LYS 60 3HZ LYS 60 -1.664 24.838 -29.874 442 H GLU 61 H GLU 61 2.395 20.074 -32.797 443 HA GLU 61 HA GLU 61 2.755 19.545 -35.588 444 1HB GLU 61 1HB GLU 61 5.188 19.673 -35.037 445 2HB GLU 61 2HB GLU 61 4.263 21.081 -34.541 446 1HG GLU 61 1HG GLU 61 4.191 20.195 -32.249 447 2HG GLU 61 2HG GLU 61 5.184 18.835 -32.764 448 H ASP 62 H ASP 62 3.222 17.684 -32.620 449 HA ASP 62 HA ASP 62 4.497 15.470 -33.792 450 1HB ASP 62 1HB ASP 62 2.851 15.787 -31.292 451 2HB ASP 62 2HB ASP 62 3.464 14.213 -31.784 452 H LEU 63 H LEU 63 1.056 16.146 -33.207 453 HA LEU 63 HA LEU 63 0.031 13.712 -34.089 454 1HB LEU 63 1HB LEU 63 -1.172 16.468 -34.314 455 2HB LEU 63 2HB LEU 63 -2.051 14.980 -34.602 456 HG LEU 63 HG LEU 63 -0.893 15.933 -31.987 457 1HD1 LEU 63 1HD1 LEU 63 -3.719 15.390 -32.886 458 2HD1 LEU 63 2HD1 LEU 63 -2.992 16.980 -32.662 459 3HD1 LEU 63 3HD1 LEU 63 -3.227 15.917 -31.275 460 1HD2 LEU 63 1HD2 LEU 63 -1.805 13.895 -31.006 461 2HD2 LEU 63 2HD2 LEU 63 -0.570 13.517 -32.208 462 3HD2 LEU 63 3HD2 LEU 63 -2.278 13.325 -32.607 463 H ALA 64 H ALA 64 0.621 16.690 -35.943 464 HA ALA 64 HA ALA 64 -0.284 15.771 -38.420 465 1HB ALA 64 1HB ALA 64 1.011 17.581 -39.393 466 2HB ALA 64 2HB ALA 64 1.922 17.760 -37.892 467 3HB ALA 64 3HB ALA 64 0.195 18.120 -37.925 468 H GLU 65 H GLU 65 2.934 15.555 -36.960 469 HA GLU 65 HA GLU 65 4.222 14.432 -39.212 470 1HB GLU 65 1HB GLU 65 5.371 15.496 -37.252 471 2HB GLU 65 2HB GLU 65 4.961 14.074 -36.304 472 1HG GLU 65 1HG GLU 65 6.298 12.669 -37.708 473 2HG GLU 65 2HG GLU 65 6.619 14.003 -38.813 474 H TYR 66 H TYR 66 2.742 12.999 -36.334 475 HA TYR 66 HA TYR 66 3.354 10.325 -36.982 476 1HB TYR 66 1HB TYR 66 1.240 11.469 -35.153 477 2HB TYR 66 2HB TYR 66 1.595 9.749 -35.288 478 HD1 TYR 66 HD1 TYR 66 1.823 11.749 -32.864 479 HD2 TYR 66 HD2 TYR 66 4.631 10.079 -35.589 480 HE1 TYR 66 HE1 TYR 66 3.599 12.007 -31.183 481 HE2 TYR 66 HE2 TYR 66 6.416 10.330 -33.917 482 HH TYR 66 HH TYR 66 6.809 11.909 -31.874 483 H TYR 67 H TYR 67 0.584 12.377 -37.742 484 HA TYR 67 HA TYR 67 -1.142 10.539 -38.863 485 1HB TYR 67 1HB TYR 67 -0.592 13.401 -39.279 486 2HB TYR 67 2HB TYR 67 -1.324 12.590 -40.655 487 HD1 TYR 67 HD1 TYR 67 -1.856 13.853 -37.292 488 HD2 TYR 67 HD2 TYR 67 -3.546 11.557 -40.442 489 HE1 TYR 67 HE1 TYR 67 -4.075 14.083 -36.264 490 HE2 TYR 67 HE2 TYR 67 -5.770 11.774 -39.422 491 HH TYR 67 HH TYR 67 -6.769 12.240 -37.261 492 H GLU 68 H GLU 68 1.547 12.219 -40.503 493 HA GLU 68 HA GLU 68 1.166 10.858 -42.965 494 1HB GLU 68 1HB GLU 68 2.351 13.050 -42.712 495 2HB GLU 68 2HB GLU 68 3.701 12.184 -41.986 496 1HG GLU 68 1HG GLU 68 3.977 10.894 -44.046 497 2HG GLU 68 2HG GLU 68 2.627 11.764 -44.767 498 H GLU 69 H GLU 69 3.166 10.234 -40.132 499 HA GLU 69 HA GLU 69 4.757 8.200 -41.254 500 1HB GLU 69 1HB GLU 69 5.195 9.502 -39.136 501 2HB GLU 69 2HB GLU 69 3.983 8.500 -38.354 502 1HG GLU 69 1HG GLU 69 5.274 6.516 -38.830 503 2HG GLU 69 2HG GLU 69 6.473 7.486 -39.682 504 H ALA 70 H ALA 70 1.935 8.042 -39.114 505 HA ALA 70 HA ALA 70 1.779 5.221 -39.081 506 1HB ALA 70 1HB ALA 70 0.796 6.648 -37.348 507 2HB ALA 70 2HB ALA 70 -0.378 5.514 -38.018 508 3HB ALA 70 3HB ALA 70 -0.411 7.209 -38.507 509 H GLY 71 H GLY 71 0.788 7.498 -41.429 510 1HA GLY 71 1HA GLY 71 0.102 6.952 -43.603 511 2HA GLY 71 2HA GLY 71 -0.289 5.331 -43.048 512 H ILE 72 H ILE 72 -1.329 8.491 -41.845 513 HA ILE 72 HA ILE 72 -4.114 7.621 -42.238 514 HB ILE 72 HB ILE 72 -3.504 10.030 -40.599 515 1HG1 ILE 72 1HG1 ILE 72 -3.051 7.216 -39.579 516 2HG1 ILE 72 2HG1 ILE 72 -1.789 8.406 -39.850 517 1HG2 ILE 72 1HG2 ILE 72 -5.368 9.144 -39.273 518 2HG2 ILE 72 2HG2 ILE 72 -5.415 7.716 -40.306 519 3HG2 ILE 72 3HG2 ILE 72 -5.793 9.302 -40.977 520 1HD1 ILE 72 1HD1 ILE 72 -4.033 8.647 -37.861 521 2HD1 ILE 72 2HD1 ILE 72 -2.750 9.827 -38.126 522 3HD1 ILE 72 3HD1 ILE 72 -2.360 8.227 -37.496 523 H HIS 73 H HIS 73 -5.550 8.956 -43.323 524 HA HIS 73 HA HIS 73 -4.424 10.502 -45.407 525 1HB HIS 73 1HB HIS 73 -7.283 10.228 -44.465 526 2HB HIS 73 2HB HIS 73 -6.811 11.105 -45.917 527 HD1 HIS 73 HD1 HIS 73 -8.672 8.773 -46.314 528 HD2 HIS 73 HD2 HIS 73 -4.532 8.377 -46.328 529 HE1 HIS 73 HE1 HIS 73 -8.195 6.655 -47.583 530 HE2 HIS 73 HE2 HIS 73 -5.698 6.337 -47.403 531 HA PRO 74 HA PRO 74 -3.574 14.477 -43.968 532 1HB PRO 74 1HB PRO 74 -5.157 15.954 -45.792 533 2HB PRO 74 2HB PRO 74 -3.453 15.527 -45.958 534 1HG PRO 74 1HG PRO 74 -5.855 14.196 -47.095 535 2HG PRO 74 2HG PRO 74 -4.224 14.345 -47.771 536 1HD PRO 74 1HD PRO 74 -5.066 12.032 -46.753 537 2HD PRO 74 2HD PRO 74 -3.397 12.584 -46.485 538 HA PRO 75 HA PRO 75 -7.119 15.344 -41.315 539 1HB PRO 75 1HB PRO 75 -5.692 16.777 -39.514 540 2HB PRO 75 2HB PRO 75 -5.679 15.008 -39.541 541 1HG PRO 75 1HG PRO 75 -3.680 16.933 -40.672 542 2HG PRO 75 2HG PRO 75 -3.396 15.449 -39.743 543 1HD PRO 75 1HD PRO 75 -3.179 15.537 -42.439 544 2HD PRO 75 2HD PRO 75 -3.732 14.086 -41.575 545 H GLU 76 H GLU 76 -8.131 17.357 -40.596 546 HA GLU 76 HA GLU 76 -7.924 19.441 -42.543 547 1HB GLU 76 1HB GLU 76 -9.509 19.192 -39.982 548 2HB GLU 76 2HB GLU 76 -9.620 20.581 -41.057 549 1HG GLU 76 1HG GLU 76 -10.317 17.730 -41.718 550 2HG GLU 76 2HG GLU 76 -11.436 19.078 -41.505 551 HA PRO 77 HA PRO 77 -4.854 22.081 -40.948 552 1HB PRO 77 1HB PRO 77 -6.809 24.302 -40.962 553 2HB PRO 77 2HB PRO 77 -5.223 24.190 -41.727 554 1HG PRO 77 1HG PRO 77 -7.469 23.979 -43.170 555 2HG PRO 77 2HG PRO 77 -6.030 23.013 -43.549 556 1HD PRO 77 1HD PRO 77 -8.573 22.200 -42.228 557 2HD PRO 77 2HD PRO 77 -7.507 21.273 -43.302 558 H ILE 78 H ILE 78 -4.081 22.599 -39.041 559 HA ILE 78 HA ILE 78 -5.981 22.719 -36.785 560 HB ILE 78 HB ILE 78 -4.174 21.801 -35.386 561 1HG1 ILE 78 1HG1 ILE 78 -2.670 21.467 -37.996 562 2HG1 ILE 78 2HG1 ILE 78 -2.268 22.638 -36.742 563 1HG2 ILE 78 1HG2 ILE 78 -5.808 20.287 -36.347 564 2HG2 ILE 78 2HG2 ILE 78 -4.226 19.511 -36.269 565 3HG2 ILE 78 3HG2 ILE 78 -4.832 20.127 -37.808 566 1HD1 ILE 78 1HD1 ILE 78 -1.783 20.825 -35.197 567 2HD1 ILE 78 2HD1 ILE 78 -0.809 20.696 -36.661 568 3HD1 ILE 78 3HD1 ILE 78 -2.205 19.642 -36.436 569 H ALA 79 H ALA 79 -5.044 23.811 -34.834 570 HA ALA 79 HA ALA 79 -3.440 26.157 -35.587 571 1HB ALA 79 1HB ALA 79 -4.320 27.200 -33.539 572 2HB ALA 79 2HB ALA 79 -5.257 25.742 -33.212 573 3HB ALA 79 3HB ALA 79 -5.613 26.718 -34.638 574 H ALA 80 H ALA 80 -1.349 25.768 -35.214 575 HA ALA 80 HA ALA 80 -0.442 23.744 -33.421 576 1HB ALA 80 1HB ALA 80 0.754 24.305 -35.482 577 2HB ALA 80 2HB ALA 80 1.795 24.474 -34.066 578 3HB ALA 80 3HB ALA 80 1.116 25.907 -34.836 579 H ALA 81 H ALA 81 1.655 24.597 -32.036 580 HA ALA 81 HA ALA 81 0.612 25.834 -29.766 581 1HB ALA 81 1HB ALA 81 2.652 24.450 -29.775 582 2HB ALA 81 2HB ALA 81 2.899 26.002 -28.975 583 3HB ALA 81 3HB ALA 81 3.510 25.747 -30.609 584 H ALA 82 H ALA 82 -0.250 27.789 -29.762 585 HA ALA 82 HA ALA 82 1.338 30.026 -30.806 586 1HB ALA 82 1HB ALA 82 -0.396 29.525 -32.449 587 2HB ALA 82 2HB ALA 82 -0.697 31.080 -31.674 588 3HB ALA 82 3HB ALA 82 -1.632 29.661 -31.200 Start of MODEL 10 1 1H MET 1 1H MET 1 -12.711 6.241 -12.235 2 HA MET 1 HA MET 1 -13.160 5.336 -15.003 3 1HB MET 1 1HB MET 1 -14.971 6.941 -13.184 4 2HB MET 1 2HB MET 1 -15.334 6.500 -14.849 5 1HG MET 1 1HG MET 1 -15.413 4.188 -14.295 6 2HG MET 1 2HG MET 1 -14.799 4.503 -12.672 7 1HE MET 1 1HE MET 1 -17.808 6.441 -11.050 8 2HE MET 1 2HE MET 1 -16.422 7.139 -11.889 9 3HE MET 1 3HE MET 1 -16.193 5.782 -10.786 10 H SER 2 H SER 2 -11.468 7.580 -13.332 11 HA SER 2 HA SER 2 -11.795 9.613 -15.441 12 1HB SER 2 1HB SER 2 -10.822 10.049 -12.603 13 2HB SER 2 2HB SER 2 -11.082 11.295 -13.824 14 HG SER 2 HG SER 2 -12.941 11.372 -12.781 15 H THR 3 H THR 3 -9.585 11.067 -15.255 16 HA THR 3 HA THR 3 -7.430 9.215 -15.862 17 HB THR 3 HB THR 3 -6.221 11.434 -16.395 18 HG1 THR 3 HG1 THR 3 -8.119 12.987 -16.982 19 1HG2 THR 3 1HG2 THR 3 -7.050 9.922 -18.112 20 2HG2 THR 3 2HG2 THR 3 -7.354 11.598 -18.578 21 3HG2 THR 3 3HG2 THR 3 -8.670 10.603 -17.953 22 H TYR 4 H TYR 4 -6.019 8.606 -14.350 23 HA TYR 4 HA TYR 4 -5.724 10.327 -11.978 24 1HB TYR 4 1HB TYR 4 -5.357 7.328 -12.136 25 2HB TYR 4 2HB TYR 4 -5.300 8.318 -10.676 26 HD1 TYR 4 HD1 TYR 4 -7.366 6.359 -12.782 27 HD2 TYR 4 HD2 TYR 4 -7.445 9.696 -10.142 28 HE1 TYR 4 HE1 TYR 4 -9.801 6.122 -12.560 29 HE2 TYR 4 HE2 TYR 4 -9.880 9.460 -9.909 30 HH TYR 4 HH TYR 4 -11.747 8.525 -11.007 31 H ASP 5 H ASP 5 -4.185 9.702 -14.692 32 HA ASP 5 HA ASP 5 -1.640 10.463 -13.543 33 1HB ASP 5 1HB ASP 5 -1.860 7.823 -13.964 34 2HB ASP 5 2HB ASP 5 -1.452 8.313 -15.606 35 H GLU 6 H GLU 6 -0.075 10.905 -15.501 36 HA GLU 6 HA GLU 6 -1.378 11.652 -17.950 37 1HB GLU 6 1HB GLU 6 -2.079 13.502 -16.454 38 2HB GLU 6 2HB GLU 6 -0.387 13.862 -16.135 39 1HG GLU 6 1HG GLU 6 -0.035 14.425 -18.460 40 2HG GLU 6 2HG GLU 6 -1.697 13.981 -18.843 41 H ILE 7 H ILE 7 0.074 11.155 -19.425 42 HA ILE 7 HA ILE 7 2.906 11.815 -18.888 43 HB ILE 7 HB ILE 7 2.235 9.483 -20.653 44 1HG1 ILE 7 1HG1 ILE 7 2.836 8.124 -18.457 45 2HG1 ILE 7 2HG1 ILE 7 2.109 9.525 -17.671 46 1HG2 ILE 7 1HG2 ILE 7 4.459 8.720 -19.875 47 2HG2 ILE 7 2HG2 ILE 7 4.596 10.202 -18.927 48 3HG2 ILE 7 3HG2 ILE 7 4.496 10.286 -20.685 49 1HD1 ILE 7 1HD1 ILE 7 0.063 9.168 -18.969 50 2HD1 ILE 7 2HD1 ILE 7 0.480 7.769 -17.976 51 3HD1 ILE 7 3HD1 ILE 7 0.797 7.746 -19.712 52 H GLU 8 H GLU 8 4.166 12.044 -20.961 53 HA GLU 8 HA GLU 8 2.571 13.614 -22.805 54 1HB GLU 8 1HB GLU 8 5.556 13.229 -22.544 55 2HB GLU 8 2HB GLU 8 4.793 14.273 -23.739 56 1HG GLU 8 1HG GLU 8 3.838 15.637 -21.981 57 2HG GLU 8 2HG GLU 8 4.507 14.560 -20.757 58 H ILE 9 H ILE 9 2.705 13.388 -25.084 59 HA ILE 9 HA ILE 9 2.098 10.797 -25.929 60 HB ILE 9 HB ILE 9 1.197 12.802 -26.992 61 1HG1 ILE 9 1HG1 ILE 9 2.770 11.152 -28.977 62 2HG1 ILE 9 2HG1 ILE 9 1.281 10.625 -28.202 63 1HG2 ILE 9 1HG2 ILE 9 3.982 13.193 -28.085 64 2HG2 ILE 9 2HG2 ILE 9 3.143 14.235 -26.935 65 3HG2 ILE 9 3HG2 ILE 9 2.553 14.096 -28.591 66 1HD1 ILE 9 1HD1 ILE 9 1.567 13.021 -29.996 67 2HD1 ILE 9 2HD1 ILE 9 0.069 12.451 -29.255 68 3HD1 ILE 9 3HD1 ILE 9 0.895 11.457 -30.456 69 H GLU 10 H GLU 10 5.129 12.521 -25.962 70 HA GLU 10 HA GLU 10 6.447 10.878 -27.858 71 1HB GLU 10 1HB GLU 10 8.524 11.889 -26.975 72 2HB GLU 10 2HB GLU 10 7.299 13.081 -27.380 73 1HG GLU 10 1HG GLU 10 6.732 13.330 -25.038 74 2HG GLU 10 2HG GLU 10 7.905 12.087 -24.604 75 H ASP 11 H ASP 11 5.868 10.554 -24.426 76 HA ASP 11 HA ASP 11 7.846 8.478 -24.083 77 1HB ASP 11 1HB ASP 11 7.174 10.009 -22.232 78 2HB ASP 11 2HB ASP 11 5.581 9.259 -22.235 79 H MET 12 H MET 12 4.366 8.718 -24.518 80 HA MET 12 HA MET 12 3.641 6.035 -24.444 81 1HB MET 12 1HB MET 12 2.644 8.303 -26.172 82 2HB MET 12 2HB MET 12 1.881 6.721 -26.125 83 1HG MET 12 1HG MET 12 2.272 8.387 -23.659 84 2HG MET 12 2HG MET 12 0.850 8.534 -24.691 85 1HE MET 12 1HE MET 12 0.386 5.557 -25.643 86 2HE MET 12 2HE MET 12 -0.911 6.610 -25.075 87 3HE MET 12 3HE MET 12 -0.744 4.983 -24.415 88 H THR 13 H THR 13 3.394 4.470 -26.132 89 HA THR 13 HA THR 13 5.536 4.658 -28.116 90 HB THR 13 HB THR 13 3.895 2.232 -27.349 91 HG1 THR 13 HG1 THR 13 5.778 3.523 -25.959 92 1HG2 THR 13 1HG2 THR 13 5.734 0.977 -28.364 93 2HG2 THR 13 2HG2 THR 13 6.545 2.488 -28.778 94 3HG2 THR 13 3HG2 THR 13 5.005 2.078 -29.535 95 H PHE 14 H PHE 14 5.081 5.074 -30.189 96 HA PHE 14 HA PHE 14 2.346 5.128 -31.086 97 1HB PHE 14 1HB PHE 14 3.242 6.013 -33.186 98 2HB PHE 14 2HB PHE 14 3.900 6.885 -31.811 99 HD1 PHE 14 HD1 PHE 14 4.635 5.005 -34.754 100 HD2 PHE 14 HD2 PHE 14 6.248 6.313 -31.043 101 HE1 PHE 14 HE1 PHE 14 6.908 4.608 -35.608 102 HE2 PHE 14 HE2 PHE 14 8.525 5.916 -31.884 103 HZ PHE 14 HZ PHE 14 8.855 5.062 -34.172 104 H GLU 15 H GLU 15 1.303 3.627 -32.197 105 HA GLU 15 HA GLU 15 2.852 1.347 -33.235 106 1HB GLU 15 1HB GLU 15 1.292 0.886 -31.299 107 2HB GLU 15 2HB GLU 15 -0.039 1.325 -32.357 108 1HG GLU 15 1HG GLU 15 0.501 -0.515 -33.842 109 2HG GLU 15 2HG GLU 15 1.888 -0.938 -32.836 110 HA PRO 16 HA PRO 16 1.252 3.579 -36.889 111 1HB PRO 16 1HB PRO 16 3.047 2.432 -38.615 112 2HB PRO 16 2HB PRO 16 3.388 3.879 -37.660 113 1HG PRO 16 1HG PRO 16 4.149 1.037 -37.136 114 2HG PRO 16 2HG PRO 16 5.106 2.515 -36.920 115 1HD PRO 16 1HD PRO 16 3.930 1.260 -34.847 116 2HD PRO 16 2HD PRO 16 4.094 3.027 -34.908 117 H GLU 17 H GLU 17 1.722 0.216 -36.262 118 HA GLU 17 HA GLU 17 0.662 -0.960 -38.561 119 1HB GLU 17 1HB GLU 17 0.206 -2.076 -35.807 120 2HB GLU 17 2HB GLU 17 0.502 -2.944 -37.306 121 1HG GLU 17 1HG GLU 17 2.501 -1.331 -35.742 122 2HG GLU 17 2HG GLU 17 2.420 -3.087 -35.855 123 H ASN 18 H ASN 18 -0.913 0.238 -35.633 124 HA ASN 18 HA ASN 18 -3.535 -0.389 -36.821 125 1HB ASN 18 1HB ASN 18 -2.469 -0.898 -34.227 126 2HB ASN 18 2HB ASN 18 -3.773 0.270 -34.052 127 1HD2 ASN 18 1HD2 ASN 18 -2.924 -2.951 -35.052 128 2HD2 ASN 18 2HD2 ASN 18 -4.536 -3.580 -35.098 129 H GLN 19 H GLN 19 -1.516 2.064 -36.663 130 HA GLN 19 HA GLN 19 -1.634 4.328 -36.757 131 1HB GLN 19 1HB GLN 19 -4.534 3.717 -37.341 132 2HB GLN 19 2HB GLN 19 -3.847 5.328 -37.433 133 1HG GLN 19 1HG GLN 19 -3.806 4.658 -39.627 134 2HG GLN 19 2HG GLN 19 -2.177 4.249 -39.096 135 1HE2 GLN 19 1HE2 GLN 19 -1.542 2.144 -39.061 136 2HE2 GLN 19 2HE2 GLN 19 -2.516 0.837 -39.644 137 H MET 20 H MET 20 -1.654 3.300 -34.162 138 HA MET 20 HA MET 20 -3.139 5.386 -32.779 139 1HB MET 20 1HB MET 20 -4.171 3.866 -31.194 140 2HB MET 20 2HB MET 20 -4.684 3.467 -32.827 141 1HG MET 20 1HG MET 20 -3.107 1.609 -32.879 142 2HG MET 20 2HG MET 20 -2.565 2.016 -31.251 143 1HE MET 20 1HE MET 20 -3.032 -0.482 -30.445 144 2HE MET 20 2HE MET 20 -3.537 -0.888 -32.086 145 3HE MET 20 3HE MET 20 -4.561 -1.319 -30.717 146 H PHE 21 H PHE 21 -2.618 5.249 -30.340 147 HA PHE 21 HA PHE 21 0.227 4.549 -30.024 148 1HB PHE 21 1HB PHE 21 -1.472 6.709 -28.812 149 2HB PHE 21 2HB PHE 21 -0.057 6.124 -27.948 150 HD1 PHE 21 HD1 PHE 21 -1.143 7.621 -31.161 151 HD2 PHE 21 HD2 PHE 21 2.061 6.919 -28.458 152 HE1 PHE 21 HE1 PHE 21 0.284 9.142 -32.465 153 HE2 PHE 21 HE2 PHE 21 3.496 8.434 -29.756 154 HZ PHE 21 HZ PHE 21 2.607 9.550 -31.763 155 H THR 22 H THR 22 0.841 3.210 -28.390 156 HA THR 22 HA THR 22 -1.189 2.363 -26.457 157 HB THR 22 HB THR 22 -0.320 -0.012 -26.713 158 HG1 THR 22 HG1 THR 22 0.316 0.069 -29.276 159 1HG2 THR 22 1HG2 THR 22 -1.836 1.195 -29.033 160 2HG2 THR 22 2HG2 THR 22 -2.533 0.633 -27.513 161 3HG2 THR 22 3HG2 THR 22 -1.789 -0.519 -28.621 162 H TYR 23 H TYR 23 -0.248 1.238 -24.585 163 HA TYR 23 HA TYR 23 2.637 1.507 -24.262 164 1HB TYR 23 1HB TYR 23 1.553 3.600 -23.357 165 2HB TYR 23 2HB TYR 23 0.734 2.585 -22.173 166 HD1 TYR 23 HD1 TYR 23 1.838 1.908 -20.191 167 HD2 TYR 23 HD2 TYR 23 4.082 3.659 -23.357 168 HE1 TYR 23 HE1 TYR 23 3.802 2.045 -18.719 169 HE2 TYR 23 HE2 TYR 23 6.049 3.802 -21.890 170 HH TYR 23 HH TYR 23 6.636 3.826 -19.591 171 HA PRO 24 HA PRO 24 1.997 -2.619 -22.866 172 1HB PRO 24 1HB PRO 24 4.334 -2.831 -21.392 173 2HB PRO 24 2HB PRO 24 4.189 -3.113 -23.126 174 1HG PRO 24 1HG PRO 24 5.126 -0.680 -21.677 175 2HG PRO 24 2HG PRO 24 5.738 -1.398 -23.177 176 1HD PRO 24 1HD PRO 24 4.187 0.783 -23.206 177 2HD PRO 24 2HD PRO 24 4.046 -0.468 -24.460 178 H CYS 25 H CYS 25 0.381 -2.738 -21.451 179 HA CYS 25 HA CYS 25 0.946 -2.179 -18.620 180 1HB CYS 25 1HB CYS 25 -0.950 -0.894 -19.383 181 2HB CYS 25 2HB CYS 25 -1.657 -2.303 -20.162 182 HA PRO 26 HA PRO 26 0.393 -6.602 -18.246 183 1HB PRO 26 1HB PRO 26 0.899 -6.713 -15.542 184 2HB PRO 26 2HB PRO 26 2.146 -6.657 -16.790 185 1HG PRO 26 1HG PRO 26 1.458 -4.636 -14.846 186 2HG PRO 26 2HG PRO 26 2.776 -4.625 -16.026 187 1HD PRO 26 1HD PRO 26 0.154 -3.305 -16.148 188 2HD PRO 26 2HD PRO 26 1.624 -2.978 -17.087 189 H CYS 27 H CYS 27 -1.569 -7.409 -18.322 190 HA CYS 27 HA CYS 27 -3.291 -7.757 -16.155 191 1HB CYS 27 1HB CYS 27 -5.135 -6.257 -16.707 192 2HB CYS 27 2HB CYS 27 -3.684 -5.303 -16.425 193 H GLY 28 H GLY 28 -3.211 -7.091 -19.597 194 1HA GLY 28 1HA GLY 28 -3.545 -9.615 -20.601 195 2HA GLY 28 2HA GLY 28 -5.183 -9.037 -20.307 196 H ASP 29 H ASP 29 -4.247 -6.237 -20.788 197 HA ASP 29 HA ASP 29 -3.602 -6.278 -23.637 198 1HB ASP 29 1HB ASP 29 -6.220 -6.054 -22.946 199 2HB ASP 29 2HB ASP 29 -5.733 -4.361 -22.887 200 H ARG 30 H ARG 30 -3.423 -3.772 -24.306 201 HA ARG 30 HA ARG 30 -1.904 -2.507 -22.116 202 1HB ARG 30 1HB ARG 30 -0.467 -1.507 -23.937 203 2HB ARG 30 2HB ARG 30 -0.280 -3.233 -23.671 204 1HG ARG 30 1HG ARG 30 -1.650 -3.706 -25.614 205 2HG ARG 30 2HG ARG 30 -1.918 -1.979 -25.865 206 1HD ARG 30 1HD ARG 30 -0.161 -2.933 -27.334 207 2HD ARG 30 2HD ARG 30 0.411 -1.621 -26.306 208 HE ARG 30 HE ARG 30 0.952 -3.925 -24.900 209 1HH1 ARG 30 1HH1 ARG 30 1.811 -2.625 -28.044 210 2HH1 ARG 30 2HH1 ARG 30 3.348 -3.432 -28.114 211 1HH2 ARG 30 1HH2 ARG 30 2.988 -4.979 -24.966 212 2HH2 ARG 30 2HH2 ARG 30 4.022 -4.766 -26.353 213 H PHE 31 H PHE 31 -1.763 -0.190 -22.157 214 HA PHE 31 HA PHE 31 -4.140 1.177 -22.399 215 1HB PHE 31 1HB PHE 31 -1.332 2.285 -22.652 216 2HB PHE 31 2HB PHE 31 -2.772 3.264 -22.403 217 HD1 PHE 31 HD1 PHE 31 -4.133 2.849 -20.287 218 HD2 PHE 31 HD2 PHE 31 -0.171 1.394 -20.844 219 HE1 PHE 31 HE1 PHE 31 -3.888 2.597 -17.856 220 HE2 PHE 31 HE2 PHE 31 0.077 1.139 -18.408 221 HZ PHE 31 HZ PHE 31 -1.782 1.739 -16.912 222 H GLN 32 H GLN 32 -5.249 2.121 -24.009 223 HA GLN 32 HA GLN 32 -4.038 2.037 -26.691 224 1HB GLN 32 1HB GLN 32 -5.455 0.048 -26.113 225 2HB GLN 32 2HB GLN 32 -6.830 1.132 -25.980 226 1HG GLN 32 1HG GLN 32 -6.575 1.740 -28.328 227 2HG GLN 32 2HG GLN 32 -5.193 0.650 -28.459 228 1HE2 GLN 32 1HE2 GLN 32 -6.483 -1.306 -26.644 229 2HE2 GLN 32 2HE2 GLN 32 -7.679 -2.101 -27.602 230 H ILE 33 H ILE 33 -4.268 3.902 -27.769 231 HA ILE 33 HA ILE 33 -6.730 5.431 -27.484 232 HB ILE 33 HB ILE 33 -5.290 6.491 -25.843 233 1HG1 ILE 33 1HG1 ILE 33 -5.494 8.164 -28.352 234 2HG1 ILE 33 2HG1 ILE 33 -6.798 7.889 -27.201 235 1HG2 ILE 33 1HG2 ILE 33 -3.124 5.825 -26.660 236 2HG2 ILE 33 2HG2 ILE 33 -3.184 7.582 -26.510 237 3HG2 ILE 33 3HG2 ILE 33 -3.322 6.827 -28.098 238 1HD1 ILE 33 1HD1 ILE 33 -4.205 9.301 -26.640 239 2HD1 ILE 33 2HD1 ILE 33 -5.484 8.999 -25.465 240 3HD1 ILE 33 3HD1 ILE 33 -5.788 10.050 -26.849 241 H TYR 34 H TYR 34 -7.360 6.382 -29.359 242 HA TYR 34 HA TYR 34 -5.710 5.808 -31.710 243 1HB TYR 34 1HB TYR 34 -8.572 6.764 -31.695 244 2HB TYR 34 2HB TYR 34 -7.705 5.986 -33.013 245 HD1 TYR 34 HD1 TYR 34 -9.764 5.511 -30.110 246 HD2 TYR 34 HD2 TYR 34 -7.104 3.538 -32.780 247 HE1 TYR 34 HE1 TYR 34 -10.667 3.343 -29.396 248 HE2 TYR 34 HE2 TYR 34 -8.005 1.360 -32.070 249 HH TYR 34 HH TYR 34 -9.175 0.412 -30.070 250 H LEU 35 H LEU 35 -5.079 7.390 -33.161 251 HA LEU 35 HA LEU 35 -4.760 10.039 -32.255 252 1HB LEU 35 1HB LEU 35 -4.488 8.749 -34.951 253 2HB LEU 35 2HB LEU 35 -4.327 10.484 -34.775 254 HG LEU 35 HG LEU 35 -2.141 9.599 -34.788 255 1HD1 LEU 35 1HD1 LEU 35 -1.269 10.221 -32.614 256 2HD1 LEU 35 2HD1 LEU 35 -2.886 10.113 -31.919 257 3HD1 LEU 35 3HD1 LEU 35 -2.527 11.343 -33.131 258 1HD2 LEU 35 1HD2 LEU 35 -2.697 7.267 -34.324 259 2HD2 LEU 35 2HD2 LEU 35 -2.992 7.672 -32.632 260 3HD2 LEU 35 3HD2 LEU 35 -1.370 7.833 -33.310 261 H ASP 36 H ASP 36 -7.272 8.465 -34.023 262 HA ASP 36 HA ASP 36 -8.648 10.582 -35.169 263 1HB ASP 36 1HB ASP 36 -9.235 8.241 -35.556 264 2HB ASP 36 2HB ASP 36 -9.747 8.069 -33.882 265 H ASP 37 H ASP 37 -8.785 9.326 -31.869 266 HA ASP 37 HA ASP 37 -10.881 11.116 -31.063 267 1HB ASP 37 1HB ASP 37 -9.864 8.744 -30.072 268 2HB ASP 37 2HB ASP 37 -9.284 9.940 -28.913 269 H MET 38 H MET 38 -7.394 11.045 -30.945 270 HA MET 38 HA MET 38 -7.064 13.187 -29.098 271 1HB MET 38 1HB MET 38 -5.119 12.216 -31.206 272 2HB MET 38 2HB MET 38 -4.722 13.182 -29.788 273 1HG MET 38 1HG MET 38 -5.445 11.323 -28.347 274 2HG MET 38 2HG MET 38 -5.770 10.360 -29.784 275 1HE MET 38 1HE MET 38 -1.608 11.580 -28.227 276 2HE MET 38 2HE MET 38 -3.113 11.733 -27.320 277 3HE MET 38 3HE MET 38 -2.812 12.777 -28.710 278 H PHE 39 H PHE 39 -7.442 12.945 -32.552 279 HA PHE 39 HA PHE 39 -6.811 15.639 -33.186 280 1HB PHE 39 1HB PHE 39 -6.871 13.779 -34.847 281 2HB PHE 39 2HB PHE 39 -8.620 13.709 -34.668 282 HD1 PHE 39 HD1 PHE 39 -5.814 15.794 -35.848 283 HD2 PHE 39 HD2 PHE 39 -10.032 15.212 -35.827 284 HE1 PHE 39 HE1 PHE 39 -6.052 17.475 -37.628 285 HE2 PHE 39 HE2 PHE 39 -10.277 16.892 -37.606 286 HZ PHE 39 HZ PHE 39 -8.287 18.027 -38.507 287 H GLU 40 H GLU 40 -9.603 14.018 -31.941 288 HA GLU 40 HA GLU 40 -11.515 16.041 -32.532 289 1HB GLU 40 1HB GLU 40 -11.452 13.648 -30.736 290 2HB GLU 40 2HB GLU 40 -12.781 14.793 -30.642 291 1HG GLU 40 1HG GLU 40 -11.933 13.341 -33.141 292 2HG GLU 40 2HG GLU 40 -13.254 12.846 -32.082 293 H GLY 41 H GLY 41 -8.973 15.981 -30.353 294 1HA GLY 41 1HA GLY 41 -8.455 18.013 -29.196 295 2HA GLY 41 2HA GLY 41 -10.176 18.278 -28.970 296 H GLU 42 H GLU 42 -9.758 15.097 -28.346 297 HA GLU 42 HA GLU 42 -9.374 15.625 -25.476 298 1HB GLU 42 1HB GLU 42 -11.533 14.562 -26.204 299 2HB GLU 42 2HB GLU 42 -10.602 13.170 -26.745 300 1HG GLU 42 1HG GLU 42 -11.676 12.974 -24.475 301 2HG GLU 42 2HG GLU 42 -9.951 12.618 -24.554 302 H LYS 43 H LYS 43 -8.127 14.066 -24.229 303 HA LYS 43 HA LYS 43 -6.276 12.438 -25.742 304 1HB LYS 43 1HB LYS 43 -4.274 13.500 -24.833 305 2HB LYS 43 2HB LYS 43 -5.202 14.625 -25.808 306 1HG LYS 43 1HG LYS 43 -5.329 14.525 -22.804 307 2HG LYS 43 2HG LYS 43 -4.232 15.569 -23.706 308 1HD LYS 43 1HD LYS 43 -5.945 16.902 -24.494 309 2HD LYS 43 2HD LYS 43 -7.159 15.636 -24.291 310 1HE LYS 43 1HE LYS 43 -5.773 17.117 -22.067 311 2HE LYS 43 2HE LYS 43 -7.414 17.420 -22.634 312 1HZ LYS 43 1HZ LYS 43 -7.512 16.045 -20.702 313 2HZ LYS 43 2HZ LYS 43 -6.398 14.944 -21.344 314 3HZ LYS 43 3HZ LYS 43 -7.943 15.088 -22.035 315 H VAL 44 H VAL 44 -6.776 10.608 -24.735 316 HA VAL 44 HA VAL 44 -5.732 10.118 -22.144 317 HB VAL 44 HB VAL 44 -7.680 11.028 -21.195 318 1HG1 VAL 44 1HG1 VAL 44 -8.994 11.275 -23.222 319 2HG1 VAL 44 2HG1 VAL 44 -9.954 10.528 -21.946 320 3HG1 VAL 44 3HG1 VAL 44 -9.303 9.539 -23.252 321 1HG2 VAL 44 1HG2 VAL 44 -8.141 8.060 -21.466 322 2HG2 VAL 44 2HG2 VAL 44 -8.925 9.100 -20.277 323 3HG2 VAL 44 3HG2 VAL 44 -7.176 8.869 -20.232 324 H ALA 45 H ALA 45 -5.127 8.049 -22.035 325 HA ALA 45 HA ALA 45 -6.077 6.266 -24.166 326 1HB ALA 45 1HB ALA 45 -3.635 6.011 -22.411 327 2HB ALA 45 2HB ALA 45 -3.659 6.622 -24.066 328 3HB ALA 45 3HB ALA 45 -4.079 4.940 -23.741 329 H VAL 46 H VAL 46 -7.124 4.417 -23.739 330 HA VAL 46 HA VAL 46 -7.662 3.816 -20.904 331 HB VAL 46 HB VAL 46 -9.683 4.492 -22.025 332 1HG1 VAL 46 1HG1 VAL 46 -9.039 4.063 -24.328 333 2HG1 VAL 46 2HG1 VAL 46 -10.593 3.316 -23.958 334 3HG1 VAL 46 3HG1 VAL 46 -9.135 2.326 -24.035 335 1HG2 VAL 46 1HG2 VAL 46 -11.092 2.513 -21.690 336 2HG2 VAL 46 2HG2 VAL 46 -9.916 2.709 -20.390 337 3HG2 VAL 46 3HG2 VAL 46 -9.644 1.506 -21.650 338 H CYS 47 H CYS 47 -7.229 1.808 -20.164 339 HA CYS 47 HA CYS 47 -6.295 -0.101 -22.159 340 1HB CYS 47 1HB CYS 47 -4.756 0.518 -20.257 341 2HB CYS 47 2HB CYS 47 -5.891 -0.277 -19.173 342 HA PRO 48 HA PRO 48 -9.975 -2.470 -21.283 343 1HB PRO 48 1HB PRO 48 -9.472 -4.414 -23.094 344 2HB PRO 48 2HB PRO 48 -10.102 -2.830 -23.557 345 1HG PRO 48 1HG PRO 48 -7.327 -3.894 -23.755 346 2HG PRO 48 2HG PRO 48 -8.212 -2.838 -24.869 347 1HD PRO 48 1HD PRO 48 -6.332 -1.970 -23.053 348 2HD PRO 48 2HD PRO 48 -7.614 -0.954 -23.737 349 H SER 49 H SER 49 -10.383 -4.473 -20.295 350 HA SER 49 HA SER 49 -9.974 -6.514 -19.332 351 1HB SER 49 1HB SER 49 -8.035 -6.939 -20.798 352 2HB SER 49 2HB SER 49 -7.020 -5.969 -19.734 353 HG SER 49 HG SER 49 -6.849 -7.603 -18.431 354 H CYS 50 H CYS 50 -7.483 -4.109 -18.334 355 HA CYS 50 HA CYS 50 -8.201 -4.680 -15.564 356 1HB CYS 50 1HB CYS 50 -6.308 -3.342 -14.925 357 2HB CYS 50 2HB CYS 50 -5.808 -4.429 -16.211 358 H SER 51 H SER 51 -8.576 -2.235 -17.985 359 HA SER 51 HA SER 51 -9.935 -0.448 -18.175 360 1HB SER 51 1HB SER 51 -11.655 -1.853 -17.067 361 2HB SER 51 2HB SER 51 -11.107 -1.249 -15.503 362 HG SER 51 HG SER 51 -12.806 -0.113 -17.261 363 H LEU 52 H LEU 52 -7.805 0.586 -17.899 364 HA LEU 52 HA LEU 52 -7.964 2.485 -15.664 365 1HB LEU 52 1HB LEU 52 -6.114 0.831 -15.351 366 2HB LEU 52 2HB LEU 52 -5.409 1.395 -16.850 367 HG LEU 52 HG LEU 52 -5.112 3.633 -15.867 368 1HD1 LEU 52 1HD1 LEU 52 -6.172 2.344 -13.357 369 2HD1 LEU 52 2HD1 LEU 52 -6.939 3.635 -14.282 370 3HD1 LEU 52 3HD1 LEU 52 -5.415 3.935 -13.448 371 1HD2 LEU 52 1HD2 LEU 52 -3.336 3.028 -14.274 372 2HD2 LEU 52 2HD2 LEU 52 -3.280 2.060 -15.749 373 3HD2 LEU 52 3HD2 LEU 52 -3.934 1.369 -14.264 374 H MET 53 H MET 53 -7.450 4.600 -16.183 375 HA MET 53 HA MET 53 -6.865 5.181 -18.995 376 1HB MET 53 1HB MET 53 -9.163 6.254 -17.372 377 2HB MET 53 2HB MET 53 -8.559 7.084 -18.802 378 1HG MET 53 1HG MET 53 -9.148 5.280 -20.208 379 2HG MET 53 2HG MET 53 -9.443 4.219 -18.832 380 1HE MET 53 1HE MET 53 -11.096 5.976 -16.845 381 2HE MET 53 2HE MET 53 -11.475 4.313 -17.291 382 3HE MET 53 3HE MET 53 -12.733 5.554 -17.341 383 H ILE 54 H ILE 54 -5.576 6.869 -19.350 384 HA ILE 54 HA ILE 54 -4.958 8.695 -17.148 385 HB ILE 54 HB ILE 54 -2.621 8.487 -17.302 386 1HG1 ILE 54 1HG1 ILE 54 -2.445 8.319 -19.759 387 2HG1 ILE 54 2HG1 ILE 54 -1.412 7.160 -18.938 388 1HG2 ILE 54 1HG2 ILE 54 -3.758 5.701 -17.425 389 2HG2 ILE 54 2HG2 ILE 54 -3.599 6.713 -15.987 390 3HG2 ILE 54 3HG2 ILE 54 -2.157 6.124 -16.814 391 1HD1 ILE 54 1HD1 ILE 54 -4.049 6.581 -20.256 392 2HD1 ILE 54 2HD1 ILE 54 -3.055 5.403 -19.397 393 3HD1 ILE 54 3HD1 ILE 54 -2.447 6.163 -20.869 394 H ASP 55 H ASP 55 -3.949 10.665 -17.868 395 HA ASP 55 HA ASP 55 -5.075 11.517 -20.403 396 1HB ASP 55 1HB ASP 55 -4.881 12.738 -18.021 397 2HB ASP 55 2HB ASP 55 -3.376 13.306 -18.726 398 H VAL 56 H VAL 56 -3.781 12.511 -22.091 399 HA VAL 56 HA VAL 56 -0.919 11.893 -21.913 400 HB VAL 56 HB VAL 56 -1.828 10.091 -23.209 401 1HG1 VAL 56 1HG1 VAL 56 -3.915 11.099 -23.926 402 2HG1 VAL 56 2HG1 VAL 56 -3.036 10.427 -25.299 403 3HG1 VAL 56 3HG1 VAL 56 -3.036 12.167 -25.022 404 1HG2 VAL 56 1HG2 VAL 56 0.332 10.933 -23.919 405 2HG2 VAL 56 2HG2 VAL 56 -0.451 12.094 -24.989 406 3HG2 VAL 56 3HG2 VAL 56 -0.592 10.367 -25.312 407 H VAL 57 H VAL 57 0.233 13.636 -22.135 408 HA VAL 57 HA VAL 57 -0.834 16.082 -23.175 409 HB VAL 57 HB VAL 57 2.040 15.417 -22.489 410 1HG1 VAL 57 1HG1 VAL 57 2.297 17.845 -22.230 411 2HG1 VAL 57 2HG1 VAL 57 0.634 18.072 -22.769 412 3HG1 VAL 57 3HG1 VAL 57 1.835 17.411 -23.876 413 1HG2 VAL 57 1HG2 VAL 57 -0.136 16.627 -20.781 414 2HG2 VAL 57 2HG2 VAL 57 1.562 16.488 -20.327 415 3HG2 VAL 57 3HG2 VAL 57 0.594 15.034 -20.573 416 H PHE 58 H PHE 58 -1.082 16.449 -25.275 417 HA PHE 58 HA PHE 58 0.820 15.230 -27.168 418 1HB PHE 58 1HB PHE 58 -0.968 15.074 -28.776 419 2HB PHE 58 2HB PHE 58 -1.540 14.370 -27.268 420 HD1 PHE 58 HD1 PHE 58 -2.110 16.834 -29.797 421 HD2 PHE 58 HD2 PHE 58 -3.037 15.777 -25.784 422 HE1 PHE 58 HE1 PHE 58 -4.055 18.334 -29.856 423 HE2 PHE 58 HE2 PHE 58 -4.984 17.276 -25.836 424 HZ PHE 58 HZ PHE 58 -5.498 18.556 -27.872 425 H ASP 59 H ASP 59 1.143 16.449 -29.202 426 HA ASP 59 HA ASP 59 0.509 19.319 -28.974 427 1HB ASP 59 1HB ASP 59 3.016 18.691 -28.766 428 2HB ASP 59 2HB ASP 59 2.916 18.317 -30.480 429 H LYS 60 H LYS 60 0.229 20.395 -31.026 430 HA LYS 60 HA LYS 60 -1.358 18.916 -32.830 431 1HB LYS 60 1HB LYS 60 -0.242 21.701 -32.837 432 2HB LYS 60 2HB LYS 60 -1.041 21.066 -34.268 433 1HG LYS 60 1HG LYS 60 -2.582 22.372 -32.927 434 2HG LYS 60 2HG LYS 60 -3.074 20.681 -32.958 435 1HD LYS 60 1HD LYS 60 -1.986 20.377 -30.746 436 2HD LYS 60 2HD LYS 60 -1.634 22.105 -30.722 437 1HE LYS 60 1HE LYS 60 -4.405 20.949 -30.954 438 2HE LYS 60 2HE LYS 60 -3.664 21.438 -29.433 439 1HZ LYS 60 1HZ LYS 60 -5.034 23.201 -30.219 440 2HZ LYS 60 2HZ LYS 60 -4.297 23.190 -31.745 441 3HZ LYS 60 3HZ LYS 60 -3.417 23.690 -30.386 442 H GLU 61 H GLU 61 2.031 19.929 -32.864 443 HA GLU 61 HA GLU 61 2.437 19.144 -35.589 444 1HB GLU 61 1HB GLU 61 4.811 19.495 -35.165 445 2HB GLU 61 2HB GLU 61 3.866 20.843 -34.551 446 1HG GLU 61 1HG GLU 61 4.075 19.946 -32.284 447 2HG GLU 61 2HG GLU 61 5.028 18.599 -32.911 448 H ASP 62 H ASP 62 2.964 17.625 -32.435 449 HA ASP 62 HA ASP 62 4.203 15.285 -33.310 450 1HB ASP 62 1HB ASP 62 2.416 15.862 -30.959 451 2HB ASP 62 2HB ASP 62 2.991 14.230 -31.276 452 H LEU 63 H LEU 63 0.725 15.914 -32.808 453 HA LEU 63 HA LEU 63 -0.209 13.426 -33.625 454 1HB LEU 63 1HB LEU 63 -1.512 16.125 -33.958 455 2HB LEU 63 2HB LEU 63 -2.331 14.598 -34.206 456 HG LEU 63 HG LEU 63 -1.308 15.754 -31.626 457 1HD1 LEU 63 1HD1 LEU 63 -3.631 15.482 -30.941 458 2HD1 LEU 63 2HD1 LEU 63 -4.027 14.812 -32.523 459 3HD1 LEU 63 3HD1 LEU 63 -3.508 16.493 -32.381 460 1HD2 LEU 63 1HD2 LEU 63 -2.334 12.959 -32.115 461 2HD2 LEU 63 2HD2 LEU 63 -1.992 13.677 -30.540 462 3HD2 LEU 63 3HD2 LEU 63 -0.680 13.397 -31.686 463 H ALA 64 H ALA 64 0.272 16.362 -35.572 464 HA ALA 64 HA ALA 64 -0.666 15.337 -37.993 465 1HB ALA 64 1HB ALA 64 -0.270 17.731 -37.554 466 2HB ALA 64 2HB ALA 64 0.469 17.185 -39.060 467 3HB ALA 64 3HB ALA 64 1.468 17.438 -37.628 468 H GLU 65 H GLU 65 2.661 15.412 -36.724 469 HA GLU 65 HA GLU 65 3.797 14.261 -39.053 470 1HB GLU 65 1HB GLU 65 4.995 15.606 -37.232 471 2HB GLU 65 2HB GLU 65 5.003 14.113 -36.298 472 1HG GLU 65 1HG GLU 65 6.281 12.988 -37.983 473 2HG GLU 65 2HG GLU 65 6.170 14.380 -39.055 474 H TYR 66 H TYR 66 2.774 12.907 -35.938 475 HA TYR 66 HA TYR 66 3.647 10.277 -36.539 476 1HB TYR 66 1HB TYR 66 1.861 11.423 -34.424 477 2HB TYR 66 2HB TYR 66 1.999 9.677 -34.622 478 HD1 TYR 66 HD1 TYR 66 3.974 8.507 -33.944 479 HD2 TYR 66 HD2 TYR 66 3.871 12.757 -33.810 480 HE1 TYR 66 HE1 TYR 66 6.068 8.513 -32.655 481 HE2 TYR 66 HE2 TYR 66 5.960 12.774 -32.520 482 HH TYR 66 HH TYR 66 7.259 11.324 -31.096 483 H TYR 67 H TYR 67 0.583 11.960 -37.065 484 HA TYR 67 HA TYR 67 -1.000 9.903 -38.026 485 1HB TYR 67 1HB TYR 67 -0.789 12.791 -38.474 486 2HB TYR 67 2HB TYR 67 -1.387 11.932 -39.887 487 HD1 TYR 67 HD1 TYR 67 -2.041 12.600 -36.301 488 HD2 TYR 67 HD2 TYR 67 -3.589 11.096 -39.969 489 HE1 TYR 67 HE1 TYR 67 -4.297 12.552 -35.325 490 HE2 TYR 67 HE2 TYR 67 -5.846 11.041 -39.001 491 HH TYR 67 HH TYR 67 -6.629 12.577 -36.079 492 H GLU 68 H GLU 68 1.495 11.744 -39.738 493 HA GLU 68 HA GLU 68 1.256 10.273 -42.166 494 1HB GLU 68 1HB GLU 68 3.554 11.993 -41.211 495 2HB GLU 68 2HB GLU 68 3.209 11.524 -42.872 496 1HG GLU 68 1HG GLU 68 1.112 12.788 -42.787 497 2HG GLU 68 2HG GLU 68 1.482 13.275 -41.134 498 H GLU 69 H GLU 69 3.226 9.982 -39.285 499 HA GLU 69 HA GLU 69 5.056 8.050 -40.245 500 1HB GLU 69 1HB GLU 69 4.065 8.692 -37.470 501 2HB GLU 69 2HB GLU 69 5.269 7.448 -37.779 502 1HG GLU 69 1HG GLU 69 5.534 10.365 -38.463 503 2HG GLU 69 2HG GLU 69 6.286 9.549 -37.092 504 H ALA 70 H ALA 70 1.933 7.765 -38.604 505 HA ALA 70 HA ALA 70 2.054 4.908 -38.450 506 1HB ALA 70 1HB ALA 70 -0.317 6.735 -38.082 507 2HB ALA 70 2HB ALA 70 0.818 6.262 -36.816 508 3HB ALA 70 3HB ALA 70 -0.205 5.048 -37.584 509 H GLY 71 H GLY 71 1.064 7.151 -40.846 510 1HA GLY 71 1HA GLY 71 0.568 6.637 -43.070 511 2HA GLY 71 2HA GLY 71 0.337 4.956 -42.609 512 H ILE 72 H ILE 72 -1.140 7.877 -41.289 513 HA ILE 72 HA ILE 72 -3.780 6.713 -41.802 514 HB ILE 72 HB ILE 72 -3.427 9.266 -40.283 515 1HG1 ILE 72 1HG1 ILE 72 -2.784 6.518 -39.180 516 2HG1 ILE 72 2HG1 ILE 72 -1.666 7.872 -39.336 517 1HG2 ILE 72 1HG2 ILE 72 -5.229 6.868 -39.955 518 2HG2 ILE 72 2HG2 ILE 72 -5.659 8.406 -40.703 519 3HG2 ILE 72 3HG2 ILE 72 -5.293 8.336 -38.979 520 1HD1 ILE 72 1HD1 ILE 72 -2.365 7.619 -37.045 521 2HD1 ILE 72 2HD1 ILE 72 -4.062 7.720 -37.516 522 3HD1 ILE 72 3HD1 ILE 72 -3.011 9.125 -37.700 523 H HIS 73 H HIS 73 -5.468 8.601 -42.282 524 HA HIS 73 HA HIS 73 -4.785 9.657 -44.819 525 1HB HIS 73 1HB HIS 73 -7.130 10.212 -42.995 526 2HB HIS 73 2HB HIS 73 -6.971 10.911 -44.603 527 HD1 HIS 73 HD1 HIS 73 -7.587 9.444 -46.588 528 HD2 HIS 73 HD2 HIS 73 -7.592 7.395 -42.967 529 HE1 HIS 73 HE1 HIS 73 -8.664 7.225 -47.062 530 HE2 HIS 73 HE2 HIS 73 -8.854 6.106 -44.813 531 HA PRO 74 HA PRO 74 -2.565 13.304 -43.748 532 1HB PRO 74 1HB PRO 74 -3.851 14.441 -46.175 533 2HB PRO 74 2HB PRO 74 -2.137 14.318 -45.759 534 1HG PRO 74 1HG PRO 74 -3.219 12.705 -47.586 535 2HG PRO 74 2HG PRO 74 -1.996 12.108 -46.451 536 1HD PRO 74 1HD PRO 74 -4.957 11.716 -46.425 537 2HD PRO 74 2HD PRO 74 -3.663 10.576 -46.004 538 HA PRO 75 HA PRO 75 -5.939 15.402 -41.703 539 1HB PRO 75 1HB PRO 75 -4.428 16.826 -39.978 540 2HB PRO 75 2HB PRO 75 -4.715 15.093 -39.780 541 1HG PRO 75 1HG PRO 75 -2.333 16.505 -40.915 542 2HG PRO 75 2HG PRO 75 -2.392 15.116 -39.815 543 1HD PRO 75 1HD PRO 75 -1.961 14.884 -42.496 544 2HD PRO 75 2HD PRO 75 -2.737 13.622 -41.519 545 H GLU 76 H GLU 76 -6.704 17.546 -41.394 546 HA GLU 76 HA GLU 76 -6.036 19.383 -43.480 547 1HB GLU 76 1HB GLU 76 -7.959 19.379 -41.166 548 2HB GLU 76 2HB GLU 76 -7.684 20.855 -42.079 549 1HG GLU 76 1HG GLU 76 -9.664 19.599 -42.819 550 2HG GLU 76 2HG GLU 76 -8.471 19.828 -44.093 551 HA PRO 77 HA PRO 77 -3.078 22.079 -41.649 552 1HB PRO 77 1HB PRO 77 -4.299 24.560 -41.755 553 2HB PRO 77 2HB PRO 77 -3.424 23.801 -43.088 554 1HG PRO 77 1HG PRO 77 -6.363 23.902 -42.568 555 2HG PRO 77 2HG PRO 77 -5.486 24.041 -44.103 556 1HD PRO 77 1HD PRO 77 -6.726 21.776 -43.413 557 2HD PRO 77 2HD PRO 77 -5.175 21.751 -44.277 558 H ILE 78 H ILE 78 -2.491 22.810 -39.688 559 HA ILE 78 HA ILE 78 -4.588 22.977 -37.628 560 HB ILE 78 HB ILE 78 -2.736 22.402 -36.022 561 1HG1 ILE 78 1HG1 ILE 78 -1.263 21.744 -38.585 562 2HG1 ILE 78 2HG1 ILE 78 -0.843 23.029 -37.462 563 1HG2 ILE 78 1HG2 ILE 78 -3.421 20.380 -38.150 564 2HG2 ILE 78 2HG2 ILE 78 -4.360 20.746 -36.701 565 3HG2 ILE 78 3HG2 ILE 78 -2.768 19.998 -36.555 566 1HD1 ILE 78 1HD1 ILE 78 -0.427 21.329 -35.726 567 2HD1 ILE 78 2HD1 ILE 78 0.622 21.158 -37.135 568 3HD1 ILE 78 3HD1 ILE 78 -0.755 20.077 -36.923 569 H ALA 79 H ALA 79 -3.824 24.317 -35.676 570 HA ALA 79 HA ALA 79 -3.116 26.939 -36.719 571 1HB ALA 79 1HB ALA 79 -5.041 26.737 -35.245 572 2HB ALA 79 2HB ALA 79 -3.799 27.753 -34.510 573 3HB ALA 79 3HB ALA 79 -4.012 26.089 -33.967 574 H ALA 80 H ALA 80 -1.108 24.769 -36.442 575 HA ALA 80 HA ALA 80 0.867 26.307 -34.931 576 1HB ALA 80 1HB ALA 80 0.104 24.537 -33.423 577 2HB ALA 80 2HB ALA 80 1.781 24.284 -33.905 578 3HB ALA 80 3HB ALA 80 0.497 23.322 -34.640 579 H ALA 81 H ALA 81 2.377 26.831 -36.371 580 HA ALA 81 HA ALA 81 3.118 24.819 -38.403 581 1HB ALA 81 1HB ALA 81 2.092 26.815 -39.380 582 2HB ALA 81 2HB ALA 81 3.787 26.674 -39.847 583 3HB ALA 81 3HB ALA 81 3.308 27.826 -38.600 584 H ALA 82 H ALA 82 4.148 27.009 -35.949 585 HA ALA 82 HA ALA 82 6.681 25.710 -35.667 586 1HB ALA 82 1HB ALA 82 6.671 28.619 -36.494 587 2HB ALA 82 2HB ALA 82 7.238 27.272 -37.480 588 3HB ALA 82 3HB ALA 82 8.082 27.690 -35.989 Start of MODEL 11 1 1H MET 1 1H MET 1 -10.286 4.985 -9.603 2 HA MET 1 HA MET 1 -12.300 5.571 -10.437 3 1HB MET 1 1HB MET 1 -11.466 8.338 -9.580 4 2HB MET 1 2HB MET 1 -13.090 7.895 -10.089 5 1HG MET 1 1HG MET 1 -11.631 6.750 -7.719 6 2HG MET 1 2HG MET 1 -12.864 8.006 -7.656 7 1HE MET 1 1HE MET 1 -14.987 7.091 -9.771 8 2HE MET 1 2HE MET 1 -15.408 7.626 -8.143 9 3HE MET 1 3HE MET 1 -16.075 6.122 -8.778 10 H SER 2 H SER 2 -11.092 8.679 -11.327 11 HA SER 2 HA SER 2 -11.558 8.005 -14.141 12 1HB SER 2 1HB SER 2 -11.675 10.560 -14.345 13 2HB SER 2 2HB SER 2 -12.968 9.780 -13.438 14 HG SER 2 HG SER 2 -12.379 10.858 -11.747 15 H THR 3 H THR 3 -10.172 10.274 -15.171 16 HA THR 3 HA THR 3 -7.558 9.272 -15.439 17 HB THR 3 HB THR 3 -7.170 11.615 -16.460 18 HG1 THR 3 HG1 THR 3 -9.011 12.548 -15.366 19 1HG2 THR 3 1HG2 THR 3 -8.412 10.991 -18.490 20 2HG2 THR 3 2HG2 THR 3 -9.289 9.769 -17.568 21 3HG2 THR 3 3HG2 THR 3 -7.546 9.618 -17.800 22 H TYR 4 H TYR 4 -6.084 9.298 -13.883 23 HA TYR 4 HA TYR 4 -5.964 11.612 -12.070 24 1HB TYR 4 1HB TYR 4 -6.553 9.405 -11.037 25 2HB TYR 4 2HB TYR 4 -4.991 8.791 -11.560 26 HD1 TYR 4 HD1 TYR 4 -2.954 9.432 -10.410 27 HD2 TYR 4 HD2 TYR 4 -6.718 11.010 -9.213 28 HE1 TYR 4 HE1 TYR 4 -1.950 10.214 -8.306 29 HE2 TYR 4 HE2 TYR 4 -5.724 11.802 -7.109 30 HH TYR 4 HH TYR 4 -2.427 12.007 -6.589 31 H ASP 5 H ASP 5 -4.329 9.810 -14.452 32 HA ASP 5 HA ASP 5 -1.744 11.020 -13.728 33 1HB ASP 5 1HB ASP 5 -2.225 8.327 -15.027 34 2HB ASP 5 2HB ASP 5 -0.648 9.025 -14.673 35 H GLU 6 H GLU 6 -0.394 11.639 -15.487 36 HA GLU 6 HA GLU 6 -1.578 11.599 -18.165 37 1HB GLU 6 1HB GLU 6 -2.356 13.694 -17.111 38 2HB GLU 6 2HB GLU 6 -0.690 14.140 -16.777 39 1HG GLU 6 1HG GLU 6 -0.236 14.215 -19.184 40 2HG GLU 6 2HG GLU 6 -1.916 13.790 -19.504 41 H ILE 7 H ILE 7 -0.029 10.854 -19.495 42 HA ILE 7 HA ILE 7 2.774 11.560 -18.879 43 HB ILE 7 HB ILE 7 2.187 9.141 -20.533 44 1HG1 ILE 7 1HG1 ILE 7 2.495 7.930 -18.168 45 2HG1 ILE 7 2HG1 ILE 7 1.667 9.382 -17.612 46 1HG2 ILE 7 1HG2 ILE 7 4.361 9.854 -18.571 47 2HG2 ILE 7 2HG2 ILE 7 4.475 9.897 -20.329 48 3HG2 ILE 7 3HG2 ILE 7 4.279 8.355 -19.496 49 1HD1 ILE 7 1HD1 ILE 7 0.656 7.518 -19.742 50 2HD1 ILE 7 2HD1 ILE 7 -0.185 8.928 -19.091 51 3HD1 ILE 7 3HD1 ILE 7 0.130 7.533 -18.058 52 H GLU 8 H GLU 8 4.205 11.613 -20.809 53 HA GLU 8 HA GLU 8 3.101 13.247 -22.846 54 1HB GLU 8 1HB GLU 8 5.773 11.852 -22.707 55 2HB GLU 8 2HB GLU 8 5.343 13.097 -23.870 56 1HG GLU 8 1HG GLU 8 5.077 14.709 -22.076 57 2HG GLU 8 2HG GLU 8 5.443 13.460 -20.886 58 H ILE 9 H ILE 9 2.834 12.844 -25.032 59 HA ILE 9 HA ILE 9 1.765 10.355 -25.756 60 HB ILE 9 HB ILE 9 1.160 12.494 -26.826 61 1HG1 ILE 9 1HG1 ILE 9 2.260 10.502 -28.817 62 2HG1 ILE 9 2HG1 ILE 9 0.730 10.333 -27.962 63 1HG2 ILE 9 1HG2 ILE 9 2.598 13.489 -28.533 64 2HG2 ILE 9 2HG2 ILE 9 3.863 12.323 -28.147 65 3HG2 ILE 9 3HG2 ILE 9 3.366 13.514 -26.945 66 1HD1 ILE 9 1HD1 ILE 9 -0.095 12.359 -29.043 67 2HD1 ILE 9 2HD1 ILE 9 0.405 11.151 -30.225 68 3HD1 ILE 9 3HD1 ILE 9 1.446 12.534 -29.886 69 H GLU 10 H GLU 10 4.971 11.685 -26.065 70 HA GLU 10 HA GLU 10 5.945 9.757 -27.917 71 1HB GLU 10 1HB GLU 10 7.434 11.636 -26.082 72 2HB GLU 10 2HB GLU 10 8.163 10.708 -27.385 73 1HG GLU 10 1HG GLU 10 6.683 11.886 -28.982 74 2HG GLU 10 2HG GLU 10 6.102 12.883 -27.648 75 H ASP 11 H ASP 11 5.665 9.857 -24.449 76 HA ASP 11 HA ASP 11 7.625 7.831 -23.940 77 1HB ASP 11 1HB ASP 11 6.811 9.511 -22.229 78 2HB ASP 11 2HB ASP 11 5.314 8.587 -22.138 79 H MET 12 H MET 12 4.196 7.902 -24.626 80 HA MET 12 HA MET 12 3.724 5.127 -24.247 81 1HB MET 12 1HB MET 12 2.310 7.149 -25.997 82 2HB MET 12 2HB MET 12 1.732 5.514 -25.698 83 1HG MET 12 1HG MET 12 1.564 6.025 -23.306 84 2HG MET 12 2HG MET 12 2.112 7.669 -23.628 85 1HE MET 12 1HE MET 12 -1.857 5.962 -25.255 86 2HE MET 12 2HE MET 12 -0.756 5.034 -24.233 87 3HE MET 12 3HE MET 12 -0.270 5.492 -25.866 88 H THR 13 H THR 13 3.515 3.502 -25.883 89 HA THR 13 HA THR 13 5.705 3.606 -27.727 90 HB THR 13 HB THR 13 3.645 1.415 -27.488 91 HG1 THR 13 HG1 THR 13 5.883 2.060 -25.869 92 1HG2 THR 13 1HG2 THR 13 5.493 -0.011 -28.234 93 2HG2 THR 13 2HG2 THR 13 6.542 1.403 -28.344 94 3HG2 THR 13 3HG2 THR 13 5.146 1.255 -29.414 95 H PHE 14 H PHE 14 5.681 3.981 -29.819 96 HA PHE 14 HA PHE 14 3.328 4.906 -31.149 97 1HB PHE 14 1HB PHE 14 6.059 4.263 -32.295 98 2HB PHE 14 2HB PHE 14 4.804 5.209 -33.082 99 HD1 PHE 14 HD1 PHE 14 7.007 5.181 -30.082 100 HD2 PHE 14 HD2 PHE 14 4.762 7.513 -32.843 101 HE1 PHE 14 HE1 PHE 14 7.960 7.231 -29.112 102 HE2 PHE 14 HE2 PHE 14 5.707 9.572 -31.875 103 HZ PHE 14 HZ PHE 14 7.307 9.430 -30.009 104 H GLU 15 H GLU 15 1.898 3.710 -32.258 105 HA GLU 15 HA GLU 15 2.846 1.202 -33.470 106 1HB GLU 15 1HB GLU 15 0.398 1.683 -31.852 107 2HB GLU 15 2HB GLU 15 0.256 0.610 -33.239 108 1HG GLU 15 1HG GLU 15 2.221 0.288 -30.979 109 2HG GLU 15 2HG GLU 15 0.705 -0.597 -31.157 110 HA PRO 16 HA PRO 16 1.475 4.050 -36.780 111 1HB PRO 16 1HB PRO 16 3.146 2.975 -38.661 112 2HB PRO 16 2HB PRO 16 3.624 4.251 -37.538 113 1HG PRO 16 1HG PRO 16 4.128 1.308 -37.391 114 2HG PRO 16 2HG PRO 16 5.222 2.653 -37.014 115 1HD PRO 16 1HD PRO 16 3.941 1.254 -35.092 116 2HD PRO 16 2HD PRO 16 4.295 2.985 -34.928 117 H GLU 17 H GLU 17 1.936 0.570 -36.832 118 HA GLU 17 HA GLU 17 0.530 -0.015 -39.184 119 1HB GLU 17 1HB GLU 17 0.915 -1.713 -36.716 120 2HB GLU 17 2HB GLU 17 0.376 -2.307 -38.281 121 1HG GLU 17 1HG GLU 17 2.501 -1.649 -39.272 122 2HG GLU 17 2HG GLU 17 3.043 -1.033 -37.711 123 H ASN 18 H ASN 18 -0.576 0.473 -35.878 124 HA ASN 18 HA ASN 18 -3.318 -0.183 -36.681 125 1HB ASN 18 1HB ASN 18 -1.908 -0.906 -34.472 126 2HB ASN 18 2HB ASN 18 -2.751 0.517 -33.873 127 1HD2 ASN 18 1HD2 ASN 18 -2.966 -2.406 -33.374 128 2HD2 ASN 18 2HD2 ASN 18 -4.652 -2.760 -33.559 129 H GLN 19 H GLN 19 -1.354 2.425 -36.575 130 HA GLN 19 HA GLN 19 -1.625 4.672 -36.691 131 1HB GLN 19 1HB GLN 19 -4.473 3.820 -37.167 132 2HB GLN 19 2HB GLN 19 -4.014 5.513 -37.124 133 1HG GLN 19 1HG GLN 19 -3.926 5.120 -39.361 134 2HG GLN 19 2HG GLN 19 -2.259 4.763 -38.919 135 1HE2 GLN 19 1HE2 GLN 19 -1.512 2.672 -39.055 136 2HE2 GLN 19 2HE2 GLN 19 -2.422 1.392 -39.783 137 H MET 20 H MET 20 -1.539 3.528 -34.062 138 HA MET 20 HA MET 20 -2.814 5.683 -32.603 139 1HB MET 20 1HB MET 20 -4.075 4.284 -31.091 140 2HB MET 20 2HB MET 20 -4.586 3.951 -32.740 141 1HG MET 20 1HG MET 20 -3.270 1.927 -32.781 142 2HG MET 20 2HG MET 20 -2.642 2.276 -31.171 143 1HE MET 20 1HE MET 20 -3.344 -0.116 -30.281 144 2HE MET 20 2HE MET 20 -3.874 -0.483 -31.924 145 3HE MET 20 3HE MET 20 -4.940 -0.818 -30.556 146 H PHE 21 H PHE 21 -2.279 5.572 -30.246 147 HA PHE 21 HA PHE 21 0.441 4.538 -29.894 148 1HB PHE 21 1HB PHE 21 -1.125 6.716 -28.534 149 2HB PHE 21 2HB PHE 21 0.311 6.028 -27.785 150 HD1 PHE 21 HD1 PHE 21 2.490 6.498 -28.617 151 HD2 PHE 21 HD2 PHE 21 -0.955 8.000 -30.607 152 HE1 PHE 21 HE1 PHE 21 3.911 8.015 -29.927 153 HE2 PHE 21 HE2 PHE 21 0.463 9.519 -31.921 154 HZ PHE 21 HZ PHE 21 2.901 9.529 -31.582 155 H THR 22 H THR 22 1.001 3.287 -28.130 156 HA THR 22 HA THR 22 -1.168 2.320 -26.411 157 HB THR 22 HB THR 22 -0.235 -0.022 -26.675 158 HG1 THR 22 HG1 THR 22 1.024 1.254 -28.890 159 1HG2 THR 22 1HG2 THR 22 -1.503 1.223 -29.119 160 2HG2 THR 22 2HG2 THR 22 -2.365 0.669 -27.684 161 3HG2 THR 22 3HG2 THR 22 -1.512 -0.491 -28.703 162 H TYR 23 H TYR 23 -0.547 1.900 -24.334 163 HA TYR 23 HA TYR 23 2.309 2.302 -23.743 164 1HB TYR 23 1HB TYR 23 0.582 4.086 -23.005 165 2HB TYR 23 2HB TYR 23 0.093 2.904 -21.798 166 HD1 TYR 23 HD1 TYR 23 3.364 4.135 -23.106 167 HD2 TYR 23 HD2 TYR 23 0.925 3.407 -19.699 168 HE1 TYR 23 HE1 TYR 23 5.171 4.939 -21.652 169 HE2 TYR 23 HE2 TYR 23 2.731 4.206 -18.229 170 HH TYR 23 HH TYR 23 5.502 5.840 -19.468 171 HA PRO 24 HA PRO 24 2.295 -1.955 -22.484 172 1HB PRO 24 1HB PRO 24 4.551 -0.955 -20.821 173 2HB PRO 24 2HB PRO 24 4.485 -2.337 -21.919 174 1HG PRO 24 1HG PRO 24 5.721 -0.076 -22.618 175 2HG PRO 24 2HG PRO 24 4.809 -1.036 -23.796 176 1HD PRO 24 1HD PRO 24 4.095 1.545 -22.502 177 2HD PRO 24 2HD PRO 24 3.673 0.927 -24.107 178 H CYS 25 H CYS 25 0.843 -2.670 -21.107 179 HA CYS 25 HA CYS 25 1.088 -1.992 -18.265 180 1HB CYS 25 1HB CYS 25 -0.804 -0.703 -18.999 181 2HB CYS 25 2HB CYS 25 -1.443 -2.057 -19.922 182 HA PRO 26 HA PRO 26 0.554 -6.451 -18.123 183 1HB PRO 26 1HB PRO 26 0.971 -6.604 -15.371 184 2HB PRO 26 2HB PRO 26 2.229 -6.667 -16.605 185 1HG PRO 26 1HG PRO 26 1.802 -4.620 -14.680 186 2HG PRO 26 2HG PRO 26 2.981 -4.626 -16.001 187 1HD PRO 26 1HD PRO 26 0.324 -3.315 -15.843 188 2HD PRO 26 2HD PRO 26 1.756 -2.857 -16.791 189 H CYS 27 H CYS 27 -1.387 -7.334 -18.204 190 HA CYS 27 HA CYS 27 -3.152 -7.694 -16.086 191 1HB CYS 27 1HB CYS 27 -5.004 -6.213 -16.655 192 2HB CYS 27 2HB CYS 27 -3.570 -5.243 -16.337 193 H GLY 28 H GLY 28 -2.795 -7.150 -19.506 194 1HA GLY 28 1HA GLY 28 -3.240 -9.605 -20.534 195 2HA GLY 28 2HA GLY 28 -4.873 -8.993 -20.277 196 H ASP 29 H ASP 29 -3.968 -6.222 -20.703 197 HA ASP 29 HA ASP 29 -3.188 -6.222 -23.518 198 1HB ASP 29 1HB ASP 29 -5.810 -6.116 -23.038 199 2HB ASP 29 2HB ASP 29 -5.438 -4.415 -22.774 200 H ARG 30 H ARG 30 -3.062 -3.723 -24.178 201 HA ARG 30 HA ARG 30 -1.647 -2.365 -21.968 202 1HB ARG 30 1HB ARG 30 -0.152 -1.394 -23.668 203 2HB ARG 30 2HB ARG 30 -0.067 -3.150 -23.651 204 1HG ARG 30 1HG ARG 30 -1.757 -3.073 -25.564 205 2HG ARG 30 2HG ARG 30 -1.351 -1.360 -25.681 206 1HD ARG 30 1HD ARG 30 0.605 -3.646 -25.862 207 2HD ARG 30 2HD ARG 30 -0.045 -2.749 -27.231 208 HE ARG 30 HE ARG 30 1.053 -0.774 -25.873 209 1HH1 ARG 30 1HH1 ARG 30 2.293 -3.983 -26.477 210 2HH1 ARG 30 2HH1 ARG 30 3.958 -3.480 -26.516 211 1HH2 ARG 30 1HH2 ARG 30 3.245 -0.088 -25.950 212 2HH2 ARG 30 2HH2 ARG 30 4.497 -1.258 -26.242 213 H PHE 31 H PHE 31 -1.781 -0.066 -21.914 214 HA PHE 31 HA PHE 31 -4.228 1.118 -22.393 215 1HB PHE 31 1HB PHE 31 -1.522 2.479 -22.371 216 2HB PHE 31 2HB PHE 31 -3.065 3.309 -22.240 217 HD1 PHE 31 HD1 PHE 31 -4.437 3.045 -20.213 218 HD2 PHE 31 HD2 PHE 31 -0.520 1.413 -20.509 219 HE1 PHE 31 HE1 PHE 31 -4.339 2.837 -17.765 220 HE2 PHE 31 HE2 PHE 31 -0.419 1.195 -18.062 221 HZ PHE 31 HZ PHE 31 -2.332 1.910 -16.688 222 H GLN 32 H GLN 32 -5.247 1.876 -24.174 223 HA GLN 32 HA GLN 32 -3.607 2.403 -26.547 224 1HB GLN 32 1HB GLN 32 -5.342 1.265 -27.946 225 2HB GLN 32 2HB GLN 32 -4.414 0.192 -26.910 226 1HG GLN 32 1HG GLN 32 -6.279 0.164 -25.310 227 2HG GLN 32 2HG GLN 32 -7.216 1.162 -26.422 228 1HE2 GLN 32 1HE2 GLN 32 -5.753 -1.957 -25.910 229 2HE2 GLN 32 2HE2 GLN 32 -6.659 -2.799 -27.119 230 H ILE 33 H ILE 33 -4.324 4.001 -27.887 231 HA ILE 33 HA ILE 33 -6.836 5.336 -27.251 232 HB ILE 33 HB ILE 33 -5.252 6.442 -25.791 233 1HG1 ILE 33 1HG1 ILE 33 -5.841 8.194 -28.183 234 2HG1 ILE 33 2HG1 ILE 33 -7.009 7.784 -26.926 235 1HG2 ILE 33 1HG2 ILE 33 -3.284 7.612 -26.636 236 2HG2 ILE 33 2HG2 ILE 33 -3.618 7.015 -28.260 237 3HG2 ILE 33 3HG2 ILE 33 -3.189 5.883 -26.977 238 1HD1 ILE 33 1HD1 ILE 33 -5.609 8.905 -25.276 239 2HD1 ILE 33 2HD1 ILE 33 -6.075 9.994 -26.582 240 3HD1 ILE 33 3HD1 ILE 33 -4.447 9.316 -26.537 241 H TYR 34 H TYR 34 -7.802 6.165 -29.003 242 HA TYR 34 HA TYR 34 -6.599 5.598 -31.566 243 1HB TYR 34 1HB TYR 34 -9.311 6.777 -30.914 244 2HB TYR 34 2HB TYR 34 -8.795 6.162 -32.482 245 HD1 TYR 34 HD1 TYR 34 -10.176 5.325 -29.263 246 HD2 TYR 34 HD2 TYR 34 -8.300 3.701 -32.718 247 HE1 TYR 34 HE1 TYR 34 -10.968 3.085 -28.632 248 HE2 TYR 34 HE2 TYR 34 -9.090 1.455 -32.099 249 HH TYR 34 HH TYR 34 -11.430 0.937 -29.669 250 H LEU 35 H LEU 35 -5.689 7.024 -32.899 251 HA LEU 35 HA LEU 35 -4.943 9.575 -31.988 252 1HB LEU 35 1HB LEU 35 -4.104 7.888 -33.963 253 2HB LEU 35 2HB LEU 35 -4.878 9.153 -34.898 254 HG LEU 35 HG LEU 35 -2.485 9.561 -34.677 255 1HD1 LEU 35 1HD1 LEU 35 -4.128 11.519 -33.085 256 2HD1 LEU 35 2HD1 LEU 35 -3.949 11.492 -34.839 257 3HD1 LEU 35 3HD1 LEU 35 -2.556 11.843 -33.817 258 1HD2 LEU 35 1HD2 LEU 35 -2.114 8.411 -32.569 259 2HD2 LEU 35 2HD2 LEU 35 -3.018 9.663 -31.715 260 3HD2 LEU 35 3HD2 LEU 35 -1.493 10.061 -32.508 261 H ASP 36 H ASP 36 -7.556 8.491 -34.053 262 HA ASP 36 HA ASP 36 -8.290 10.998 -35.091 263 1HB ASP 36 1HB ASP 36 -10.475 9.827 -35.549 264 2HB ASP 36 2HB ASP 36 -9.053 9.036 -36.202 265 H ASP 37 H ASP 37 -8.908 9.455 -32.033 266 HA ASP 37 HA ASP 37 -11.031 11.284 -31.308 267 1HB ASP 37 1HB ASP 37 -10.202 8.792 -30.368 268 2HB ASP 37 2HB ASP 37 -9.760 9.906 -29.076 269 H MET 38 H MET 38 -7.594 10.941 -30.864 270 HA MET 38 HA MET 38 -7.237 12.977 -28.917 271 1HB MET 38 1HB MET 38 -5.278 12.019 -31.018 272 2HB MET 38 2HB MET 38 -4.880 12.919 -29.561 273 1HG MET 38 1HG MET 38 -5.635 11.053 -28.194 274 2HG MET 38 2HG MET 38 -6.045 10.150 -29.651 275 1HE MET 38 1HE MET 38 -3.184 11.564 -27.387 276 2HE MET 38 2HE MET 38 -2.939 12.475 -28.878 277 3HE MET 38 3HE MET 38 -1.752 11.272 -28.375 278 H PHE 39 H PHE 39 -7.391 12.915 -32.403 279 HA PHE 39 HA PHE 39 -6.537 15.574 -32.880 280 1HB PHE 39 1HB PHE 39 -6.590 13.782 -34.607 281 2HB PHE 39 2HB PHE 39 -8.347 13.835 -34.576 282 HD1 PHE 39 HD1 PHE 39 -9.517 15.358 -35.905 283 HD2 PHE 39 HD2 PHE 39 -5.335 15.861 -35.321 284 HE1 PHE 39 HE1 PHE 39 -9.491 17.113 -37.628 285 HE2 PHE 39 HE2 PHE 39 -5.300 17.618 -37.041 286 HZ PHE 39 HZ PHE 39 -7.379 18.247 -38.200 287 H GLU 40 H GLU 40 -9.504 14.173 -31.835 288 HA GLU 40 HA GLU 40 -11.157 16.427 -32.445 289 1HB GLU 40 1HB GLU 40 -11.555 13.998 -30.705 290 2HB GLU 40 2HB GLU 40 -12.784 15.231 -30.929 291 1HG GLU 40 1HG GLU 40 -12.681 14.793 -33.379 292 2HG GLU 40 2HG GLU 40 -11.588 13.455 -33.038 293 H GLY 41 H GLY 41 -8.812 15.835 -30.118 294 1HA GLY 41 1HA GLY 41 -8.113 17.734 -28.800 295 2HA GLY 41 2HA GLY 41 -9.807 18.140 -28.575 296 H GLU 42 H GLU 42 -10.198 15.092 -28.138 297 HA GLU 42 HA GLU 42 -9.869 15.283 -25.261 298 1HB GLU 42 1HB GLU 42 -11.494 13.701 -27.113 299 2HB GLU 42 2HB GLU 42 -10.884 12.772 -25.753 300 1HG GLU 42 1HG GLU 42 -13.103 13.715 -25.322 301 2HG GLU 42 2HG GLU 42 -11.891 14.309 -24.190 302 H LYS 43 H LYS 43 -8.217 14.473 -24.166 303 HA LYS 43 HA LYS 43 -6.475 12.552 -25.553 304 1HB LYS 43 1HB LYS 43 -4.600 13.642 -24.280 305 2HB LYS 43 2HB LYS 43 -5.331 14.597 -25.567 306 1HG LYS 43 1HG LYS 43 -6.654 15.808 -23.925 307 2HG LYS 43 2HG LYS 43 -5.923 14.853 -22.631 308 1HD LYS 43 1HD LYS 43 -3.772 15.726 -23.116 309 2HD LYS 43 2HD LYS 43 -4.367 16.525 -24.571 310 1HE LYS 43 1HE LYS 43 -4.241 18.231 -22.975 311 2HE LYS 43 2HE LYS 43 -5.945 17.775 -23.038 312 1HZ LYS 43 1HZ LYS 43 -5.742 16.568 -21.029 313 2HZ LYS 43 2HZ LYS 43 -5.012 18.075 -20.755 314 3HZ LYS 43 3HZ LYS 43 -4.052 16.707 -21.021 315 H VAL 44 H VAL 44 -6.951 10.700 -24.610 316 HA VAL 44 HA VAL 44 -6.116 10.174 -21.957 317 HB VAL 44 HB VAL 44 -8.129 11.048 -21.139 318 1HG1 VAL 44 1HG1 VAL 44 -9.290 11.366 -23.230 319 2HG1 VAL 44 2HG1 VAL 44 -10.342 10.537 -22.082 320 3HG1 VAL 44 3HG1 VAL 44 -9.561 9.631 -23.379 321 1HG2 VAL 44 1HG2 VAL 44 -7.667 8.818 -20.251 322 2HG2 VAL 44 2HG2 VAL 44 -8.657 8.103 -21.523 323 3HG2 VAL 44 3HG2 VAL 44 -9.399 9.143 -20.306 324 H ALA 45 H ALA 45 -5.396 8.166 -21.914 325 HA ALA 45 HA ALA 45 -6.230 6.342 -24.055 326 1HB ALA 45 1HB ALA 45 -3.806 6.235 -22.260 327 2HB ALA 45 2HB ALA 45 -3.834 6.807 -23.929 328 3HB ALA 45 3HB ALA 45 -4.169 5.112 -23.571 329 H VAL 46 H VAL 46 -6.993 4.318 -23.622 330 HA VAL 46 HA VAL 46 -7.580 3.712 -20.796 331 HB VAL 46 HB VAL 46 -9.633 4.369 -21.921 332 1HG1 VAL 46 1HG1 VAL 46 -10.553 3.095 -23.793 333 2HG1 VAL 46 2HG1 VAL 46 -9.063 2.155 -23.874 334 3HG1 VAL 46 3HG1 VAL 46 -9.035 3.884 -24.219 335 1HG2 VAL 46 1HG2 VAL 46 -10.982 2.352 -21.510 336 2HG2 VAL 46 2HG2 VAL 46 -9.822 2.670 -20.220 337 3HG2 VAL 46 3HG2 VAL 46 -9.494 1.410 -21.411 338 H CYS 47 H CYS 47 -7.134 1.688 -20.123 339 HA CYS 47 HA CYS 47 -6.090 -0.129 -22.154 340 1HB CYS 47 1HB CYS 47 -4.604 0.555 -20.233 341 2HB CYS 47 2HB CYS 47 -5.710 -0.287 -19.159 342 HA PRO 48 HA PRO 48 -9.794 -2.543 -21.377 343 1HB PRO 48 1HB PRO 48 -9.105 -4.572 -23.075 344 2HB PRO 48 2HB PRO 48 -9.872 -3.071 -23.602 345 1HG PRO 48 1HG PRO 48 -7.014 -3.894 -23.744 346 2HG PRO 48 2HG PRO 48 -7.972 -2.948 -24.895 347 1HD PRO 48 1HD PRO 48 -6.184 -1.846 -23.149 348 2HD PRO 48 2HD PRO 48 -7.601 -0.984 -23.779 349 H SER 49 H SER 49 -10.217 -4.551 -20.396 350 HA SER 49 HA SER 49 -9.872 -6.475 -19.239 351 1HB SER 49 1HB SER 49 -6.917 -5.940 -19.516 352 2HB SER 49 2HB SER 49 -7.645 -7.408 -18.870 353 HG SER 49 HG SER 49 -7.253 -6.632 -21.459 354 H CYS 50 H CYS 50 -7.377 -4.078 -18.283 355 HA CYS 50 HA CYS 50 -8.180 -4.473 -15.509 356 1HB CYS 50 1HB CYS 50 -6.267 -3.151 -14.906 357 2HB CYS 50 2HB CYS 50 -5.766 -4.293 -16.147 358 H SER 51 H SER 51 -8.531 -2.203 -18.096 359 HA SER 51 HA SER 51 -9.963 -0.482 -18.423 360 1HB SER 51 1HB SER 51 -11.600 -1.902 -17.184 361 2HB SER 51 2HB SER 51 -11.091 -1.122 -15.687 362 HG SER 51 HG SER 51 -11.867 0.820 -16.449 363 H LEU 52 H LEU 52 -7.453 0.166 -17.653 364 HA LEU 52 HA LEU 52 -7.721 2.187 -15.555 365 1HB LEU 52 1HB LEU 52 -5.789 0.358 -15.862 366 2HB LEU 52 2HB LEU 52 -5.116 1.613 -16.881 367 HG LEU 52 HG LEU 52 -5.871 2.031 -13.985 368 1HD1 LEU 52 1HD1 LEU 52 -3.172 1.470 -15.210 369 2HD1 LEU 52 2HD1 LEU 52 -4.080 0.393 -14.148 370 3HD1 LEU 52 3HD1 LEU 52 -3.465 1.926 -13.532 371 1HD2 LEU 52 1HD2 LEU 52 -4.201 3.685 -15.876 372 2HD2 LEU 52 2HD2 LEU 52 -4.528 4.052 -14.182 373 3HD2 LEU 52 3HD2 LEU 52 -5.843 4.064 -15.359 374 H MET 53 H MET 53 -7.777 4.278 -16.048 375 HA MET 53 HA MET 53 -7.282 5.088 -18.840 376 1HB MET 53 1HB MET 53 -9.329 6.174 -16.899 377 2HB MET 53 2HB MET 53 -9.065 6.769 -18.531 378 1HG MET 53 1HG MET 53 -9.979 4.877 -19.502 379 2HG MET 53 2HG MET 53 -9.766 3.910 -18.044 380 1HE MET 53 1HE MET 53 -10.887 5.759 -15.747 381 2HE MET 53 2HE MET 53 -11.287 4.052 -15.923 382 3HE MET 53 3HE MET 53 -12.571 5.238 -15.697 383 H ILE 54 H ILE 54 -6.001 6.827 -19.184 384 HA ILE 54 HA ILE 54 -5.508 8.752 -17.044 385 HB ILE 54 HB ILE 54 -3.150 8.671 -17.068 386 1HG1 ILE 54 1HG1 ILE 54 -2.825 8.359 -19.493 387 2HG1 ILE 54 2HG1 ILE 54 -1.786 7.301 -18.552 388 1HG2 ILE 54 1HG2 ILE 54 -2.559 6.390 -16.388 389 2HG2 ILE 54 2HG2 ILE 54 -4.097 5.813 -17.034 390 3HG2 ILE 54 3HG2 ILE 54 -4.078 6.936 -15.674 391 1HD1 ILE 54 1HD1 ILE 54 -4.332 6.502 -19.937 392 2HD1 ILE 54 2HD1 ILE 54 -3.286 5.432 -19.000 393 3HD1 ILE 54 3HD1 ILE 54 -2.691 6.167 -20.488 394 H ASP 55 H ASP 55 -4.357 10.686 -17.880 395 HA ASP 55 HA ASP 55 -5.356 11.410 -20.495 396 1HB ASP 55 1HB ASP 55 -3.646 12.943 -18.521 397 2HB ASP 55 2HB ASP 55 -4.320 13.615 -19.998 398 H VAL 56 H VAL 56 -3.950 12.393 -22.133 399 HA VAL 56 HA VAL 56 -1.138 11.548 -21.972 400 HB VAL 56 HB VAL 56 -2.282 9.927 -23.408 401 1HG1 VAL 56 1HG1 VAL 56 -4.141 11.280 -24.177 402 2HG1 VAL 56 2HG1 VAL 56 -3.260 10.612 -25.551 403 3HG1 VAL 56 3HG1 VAL 56 -3.041 12.304 -25.100 404 1HG2 VAL 56 1HG2 VAL 56 0.026 10.490 -23.926 405 2HG2 VAL 56 2HG2 VAL 56 -0.515 11.811 -24.963 406 3HG2 VAL 56 3HG2 VAL 56 -0.874 10.140 -25.399 407 H VAL 57 H VAL 57 0.339 13.019 -22.675 408 HA VAL 57 HA VAL 57 -0.661 15.670 -23.366 409 HB VAL 57 HB VAL 57 2.198 14.783 -22.926 410 1HG1 VAL 57 1HG1 VAL 57 2.030 16.835 -24.205 411 2HG1 VAL 57 2HG1 VAL 57 2.616 17.185 -22.578 412 3HG1 VAL 57 3HG1 VAL 57 0.938 17.522 -23.003 413 1HG2 VAL 57 1HG2 VAL 57 0.826 14.411 -20.923 414 2HG2 VAL 57 2HG2 VAL 57 0.296 16.092 -20.983 415 3HG2 VAL 57 3HG2 VAL 57 1.993 15.712 -20.685 416 H PHE 58 H PHE 58 -0.991 16.159 -25.449 417 HA PHE 58 HA PHE 58 0.781 14.924 -27.459 418 1HB PHE 58 1HB PHE 58 -1.038 14.891 -29.041 419 2HB PHE 58 2HB PHE 58 -1.576 14.100 -27.567 420 HD1 PHE 58 HD1 PHE 58 -1.894 17.119 -29.648 421 HD2 PHE 58 HD2 PHE 58 -3.366 15.003 -26.262 422 HE1 PHE 58 HE1 PHE 58 -3.863 18.595 -29.592 423 HE2 PHE 58 HE2 PHE 58 -5.337 16.477 -26.203 424 HZ PHE 58 HZ PHE 58 -5.588 18.274 -27.864 425 H ASP 59 H ASP 59 0.957 16.216 -29.500 426 HA ASP 59 HA ASP 59 0.681 19.111 -29.061 427 1HB ASP 59 1HB ASP 59 3.054 18.270 -28.644 428 2HB ASP 59 2HB ASP 59 3.114 17.882 -30.352 429 H LYS 60 H LYS 60 0.419 20.326 -30.935 430 HA LYS 60 HA LYS 60 -0.971 19.211 -33.074 431 1HB LYS 60 1HB LYS 60 0.608 21.776 -32.872 432 2HB LYS 60 2HB LYS 60 -0.404 21.374 -34.250 433 1HG LYS 60 1HG LYS 60 -2.373 21.393 -32.897 434 2HG LYS 60 2HG LYS 60 -1.415 21.567 -31.424 435 1HD LYS 60 1HD LYS 60 -0.686 23.752 -32.082 436 2HD LYS 60 2HD LYS 60 -1.432 23.573 -33.671 437 1HE LYS 60 1HE LYS 60 -3.635 23.469 -32.619 438 2HE LYS 60 2HE LYS 60 -2.889 23.657 -31.033 439 1HZ LYS 60 1HZ LYS 60 -2.650 25.655 -33.216 440 2HZ LYS 60 2HZ LYS 60 -2.163 25.841 -31.605 441 3HZ LYS 60 3HZ LYS 60 -3.814 25.735 -31.986 442 H GLU 61 H GLU 61 2.479 19.920 -32.703 443 HA GLU 61 HA GLU 61 3.187 19.297 -35.386 444 1HB GLU 61 1HB GLU 61 4.840 19.306 -32.858 445 2HB GLU 61 2HB GLU 61 5.503 19.091 -34.471 446 1HG GLU 61 1HG GLU 61 4.783 21.301 -35.106 447 2HG GLU 61 2HG GLU 61 3.997 21.526 -33.542 448 H ASP 62 H ASP 62 3.239 17.445 -32.359 449 HA ASP 62 HA ASP 62 4.384 15.105 -33.410 450 1HB ASP 62 1HB ASP 62 2.662 15.606 -30.991 451 2HB ASP 62 2HB ASP 62 3.248 13.995 -31.394 452 H LEU 63 H LEU 63 0.963 16.034 -33.040 453 HA LEU 63 HA LEU 63 -0.076 13.538 -33.860 454 1HB LEU 63 1HB LEU 63 -1.312 16.283 -34.005 455 2HB LEU 63 2HB LEU 63 -2.175 14.793 -34.321 456 HG LEU 63 HG LEU 63 -1.039 15.737 -31.696 457 1HD1 LEU 63 1HD1 LEU 63 -3.203 16.663 -32.320 458 2HD1 LEU 63 2HD1 LEU 63 -3.370 15.538 -30.973 459 3HD1 LEU 63 3HD1 LEU 63 -3.832 15.040 -32.601 460 1HD2 LEU 63 1HD2 LEU 63 -0.551 13.370 -31.905 461 2HD2 LEU 63 2HD2 LEU 63 -2.218 13.046 -32.376 462 3HD2 LEU 63 3HD2 LEU 63 -1.859 13.621 -30.748 463 H ALA 64 H ALA 64 0.518 16.540 -35.678 464 HA ALA 64 HA ALA 64 -0.511 15.652 -38.134 465 1HB ALA 64 1HB ALA 64 -0.055 18.002 -37.657 466 2HB ALA 64 2HB ALA 64 0.760 17.485 -39.132 467 3HB ALA 64 3HB ALA 64 1.678 17.669 -37.637 468 H GLU 65 H GLU 65 2.733 15.462 -36.756 469 HA GLU 65 HA GLU 65 3.976 14.346 -39.048 470 1HB GLU 65 1HB GLU 65 5.154 15.488 -37.151 471 2HB GLU 65 2HB GLU 65 4.821 14.075 -36.162 472 1HG GLU 65 1HG GLU 65 6.161 12.687 -37.571 473 2HG GLU 65 2HG GLU 65 6.382 13.999 -38.728 474 H TYR 66 H TYR 66 2.533 12.965 -36.125 475 HA TYR 66 HA TYR 66 3.255 10.290 -36.691 476 1HB TYR 66 1HB TYR 66 2.539 11.155 -34.443 477 2HB TYR 66 2HB TYR 66 0.884 11.183 -35.049 478 HD1 TYR 66 HD1 TYR 66 -0.446 9.275 -34.860 479 HD2 TYR 66 HD2 TYR 66 3.784 8.896 -34.587 480 HE1 TYR 66 HE1 TYR 66 -0.698 6.903 -34.265 481 HE2 TYR 66 HE2 TYR 66 3.538 6.528 -33.989 482 HH TYR 66 HH TYR 66 0.564 4.865 -34.263 483 H TYR 67 H TYR 67 0.367 12.198 -37.487 484 HA TYR 67 HA TYR 67 -1.228 10.245 -38.632 485 1HB TYR 67 1HB TYR 67 -0.883 13.151 -38.984 486 2HB TYR 67 2HB TYR 67 -1.542 12.321 -40.388 487 HD1 TYR 67 HD1 TYR 67 -2.140 13.194 -36.861 488 HD2 TYR 67 HD2 TYR 67 -3.748 11.394 -40.365 489 HE1 TYR 67 HE1 TYR 67 -4.383 13.236 -35.853 490 HE2 TYR 67 HE2 TYR 67 -5.992 11.429 -39.365 491 HH TYR 67 HH TYR 67 -6.746 13.215 -36.600 492 H GLU 68 H GLU 68 1.500 11.988 -40.000 493 HA GLU 68 HA GLU 68 1.329 10.916 -42.609 494 1HB GLU 68 1HB GLU 68 2.594 12.988 -41.773 495 2HB GLU 68 2HB GLU 68 3.846 11.874 -41.253 496 1HG GLU 68 1HG GLU 68 4.538 12.682 -43.333 497 2HG GLU 68 2HG GLU 68 3.930 11.054 -43.637 498 H GLU 69 H GLU 69 3.394 10.112 -39.837 499 HA GLU 69 HA GLU 69 4.755 8.007 -41.157 500 1HB GLU 69 1HB GLU 69 4.564 8.895 -38.301 501 2HB GLU 69 2HB GLU 69 5.469 7.455 -38.751 502 1HG GLU 69 1HG GLU 69 5.945 10.244 -39.781 503 2HG GLU 69 2HG GLU 69 6.931 9.383 -38.595 504 H ALA 70 H ALA 70 1.868 8.073 -39.161 505 HA ALA 70 HA ALA 70 1.800 5.247 -38.742 506 1HB ALA 70 1HB ALA 70 0.664 6.783 -37.227 507 2HB ALA 70 2HB ALA 70 -0.464 5.611 -37.911 508 3HB ALA 70 3HB ALA 70 -0.430 7.265 -38.523 509 H GLY 71 H GLY 71 0.982 7.272 -41.378 510 1HA GLY 71 1HA GLY 71 0.520 6.468 -43.536 511 2HA GLY 71 2HA GLY 71 0.067 4.918 -42.837 512 H ILE 72 H ILE 72 -1.128 7.933 -41.609 513 HA ILE 72 HA ILE 72 -3.838 7.176 -42.390 514 HB ILE 72 HB ILE 72 -3.313 9.657 -40.818 515 1HG1 ILE 72 1HG1 ILE 72 -3.032 6.875 -39.656 516 2HG1 ILE 72 2HG1 ILE 72 -1.751 8.073 -39.785 517 1HG2 ILE 72 1HG2 ILE 72 -5.347 7.439 -40.595 518 2HG2 ILE 72 2HG2 ILE 72 -5.591 9.002 -41.374 519 3HG2 ILE 72 3HG2 ILE 72 -5.336 8.916 -39.631 520 1HD1 ILE 72 1HD1 ILE 72 -2.596 7.958 -37.523 521 2HD1 ILE 72 2HD1 ILE 72 -4.229 8.302 -38.093 522 3HD1 ILE 72 3HD1 ILE 72 -2.968 9.526 -38.239 523 H HIS 73 H HIS 73 -5.137 9.456 -42.786 524 HA HIS 73 HA HIS 73 -3.863 10.557 -45.150 525 1HB HIS 73 1HB HIS 73 -6.651 10.881 -44.022 526 2HB HIS 73 2HB HIS 73 -6.078 11.714 -45.463 527 HD1 HIS 73 HD1 HIS 73 -6.077 10.434 -47.627 528 HD2 HIS 73 HD2 HIS 73 -6.857 8.025 -44.331 529 HE1 HIS 73 HE1 HIS 73 -6.751 8.197 -48.565 530 HE2 HIS 73 HE2 HIS 73 -7.015 6.702 -46.549 531 HA PRO 74 HA PRO 74 -2.046 14.033 -43.189 532 1HB PRO 74 1HB PRO 74 -3.125 15.485 -45.563 533 2HB PRO 74 2HB PRO 74 -1.499 15.510 -44.875 534 1HG PRO 74 1HG PRO 74 -2.015 14.103 -47.072 535 2HG PRO 74 2HG PRO 74 -0.915 13.482 -45.827 536 1HD PRO 74 1HD PRO 74 -3.700 12.659 -46.472 537 2HD PRO 74 2HD PRO 74 -2.354 11.699 -45.832 538 HA PRO 75 HA PRO 75 -5.609 15.635 -41.097 539 1HB PRO 75 1HB PRO 75 -4.248 17.401 -39.500 540 2HB PRO 75 2HB PRO 75 -4.394 15.672 -39.164 541 1HG PRO 75 1HG PRO 75 -2.130 17.181 -40.399 542 2HG PRO 75 2HG PRO 75 -2.085 15.844 -39.235 543 1HD PRO 75 1HD PRO 75 -1.603 15.493 -41.871 544 2HD PRO 75 2HD PRO 75 -2.378 14.245 -40.876 545 H GLU 76 H GLU 76 -6.785 17.573 -40.958 546 HA GLU 76 HA GLU 76 -6.411 19.340 -43.171 547 1HB GLU 76 1HB GLU 76 -8.343 19.494 -40.844 548 2HB GLU 76 2HB GLU 76 -8.455 20.428 -42.332 549 1HG GLU 76 1HG GLU 76 -8.794 18.409 -43.618 550 2HG GLU 76 2HG GLU 76 -8.579 17.423 -42.172 551 HA PRO 77 HA PRO 77 -3.754 22.407 -41.726 552 1HB PRO 77 1HB PRO 77 -5.339 24.707 -41.960 553 2HB PRO 77 2HB PRO 77 -4.251 24.043 -43.178 554 1HG PRO 77 1HG PRO 77 -7.198 23.741 -42.904 555 2HG PRO 77 2HG PRO 77 -6.208 23.816 -44.372 556 1HD PRO 77 1HD PRO 77 -7.232 21.500 -43.514 557 2HD PRO 77 2HD PRO 77 -5.605 21.573 -44.226 558 H ILE 78 H ILE 78 -3.126 23.012 -39.846 559 HA ILE 78 HA ILE 78 -5.123 23.390 -37.713 560 HB ILE 78 HB ILE 78 -3.307 22.783 -36.133 561 1HG1 ILE 78 1HG1 ILE 78 -1.765 22.064 -38.638 562 2HG1 ILE 78 2HG1 ILE 78 -1.403 23.422 -37.580 563 1HG2 ILE 78 1HG2 ILE 78 -3.302 20.377 -36.634 564 2HG2 ILE 78 2HG2 ILE 78 -3.920 20.726 -38.249 565 3HG2 ILE 78 3HG2 ILE 78 -4.898 21.104 -36.831 566 1HD1 ILE 78 1HD1 ILE 78 -1.272 20.511 -36.832 567 2HD1 ILE 78 2HD1 ILE 78 -0.931 21.864 -35.755 568 3HD1 ILE 78 3HD1 ILE 78 0.099 21.573 -37.157 569 H ALA 79 H ALA 79 -4.323 24.821 -35.897 570 HA ALA 79 HA ALA 79 -3.388 27.306 -37.050 571 1HB ALA 79 1HB ALA 79 -3.885 28.284 -34.874 572 2HB ALA 79 2HB ALA 79 -4.176 26.679 -34.206 573 3HB ALA 79 3HB ALA 79 -5.250 27.326 -35.448 574 H ALA 80 H ALA 80 -1.279 26.560 -37.595 575 HA ALA 80 HA ALA 80 0.676 27.239 -35.624 576 1HB ALA 80 1HB ALA 80 1.902 25.110 -35.657 577 2HB ALA 80 2HB ALA 80 0.604 24.381 -36.603 578 3HB ALA 80 3HB ALA 80 0.297 24.918 -34.954 579 H ALA 81 H ALA 81 1.899 28.524 -36.839 580 HA ALA 81 HA ALA 81 2.419 27.748 -39.633 581 1HB ALA 81 1HB ALA 81 2.535 30.500 -38.393 582 2HB ALA 81 2HB ALA 81 1.216 29.876 -39.380 583 3HB ALA 81 3HB ALA 81 2.812 30.113 -40.091 584 H ALA 82 H ALA 82 3.845 28.896 -36.645 585 HA ALA 82 HA ALA 82 6.384 27.737 -37.298 586 1HB ALA 82 1HB ALA 82 6.602 29.861 -38.491 587 2HB ALA 82 2HB ALA 82 7.699 29.788 -37.111 588 3HB ALA 82 3HB ALA 82 6.217 30.738 -37.008 Start of MODEL 12 1 1H MET 1 1H MET 1 -13.719 7.891 -11.069 2 HA MET 1 HA MET 1 -12.491 6.067 -13.030 3 1HB MET 1 1HB MET 1 -14.327 6.844 -14.564 4 2HB MET 1 2HB MET 1 -14.869 5.906 -13.180 5 1HG MET 1 1HG MET 1 -15.519 7.963 -12.041 6 2HG MET 1 2HG MET 1 -14.977 8.899 -13.435 7 1HE MET 1 1HE MET 1 -18.948 9.070 -13.464 8 2HE MET 1 2HE MET 1 -17.468 10.020 -13.327 9 3HE MET 1 3HE MET 1 -17.935 8.922 -12.028 10 H SER 2 H SER 2 -11.290 8.411 -11.770 11 HA SER 2 HA SER 2 -11.061 10.342 -13.931 12 1HB SER 2 1HB SER 2 -9.502 11.484 -12.289 13 2HB SER 2 2HB SER 2 -11.162 11.290 -11.726 14 HG SER 2 HG SER 2 -9.032 9.517 -11.098 15 H THR 3 H THR 3 -8.803 11.009 -14.564 16 HA THR 3 HA THR 3 -7.364 8.724 -15.482 17 HB THR 3 HB THR 3 -5.727 10.513 -16.299 18 HG1 THR 3 HG1 THR 3 -6.387 12.116 -14.745 19 1HG2 THR 3 1HG2 THR 3 -8.630 10.697 -17.118 20 2HG2 THR 3 2HG2 THR 3 -7.438 9.558 -17.749 21 3HG2 THR 3 3HG2 THR 3 -7.263 11.284 -18.064 22 H TYR 4 H TYR 4 -5.811 7.649 -14.439 23 HA TYR 4 HA TYR 4 -4.845 8.680 -11.912 24 1HB TYR 4 1HB TYR 4 -5.049 6.057 -13.186 25 2HB TYR 4 2HB TYR 4 -3.545 6.284 -12.298 26 HD1 TYR 4 HD1 TYR 4 -3.706 7.067 -9.877 27 HD2 TYR 4 HD2 TYR 4 -7.036 5.535 -12.036 28 HE1 TYR 4 HE1 TYR 4 -4.859 6.614 -7.755 29 HE2 TYR 4 HE2 TYR 4 -8.204 5.080 -9.917 30 HH TYR 4 HH TYR 4 -7.240 6.365 -6.976 31 H ASP 5 H ASP 5 -3.854 9.374 -14.886 32 HA ASP 5 HA ASP 5 -1.271 10.177 -14.015 33 1HB ASP 5 1HB ASP 5 -0.989 7.682 -14.562 34 2HB ASP 5 2HB ASP 5 -1.205 8.149 -16.245 35 H GLU 6 H GLU 6 -0.005 11.141 -15.871 36 HA GLU 6 HA GLU 6 -1.614 11.989 -18.157 37 1HB GLU 6 1HB GLU 6 -1.994 13.728 -16.441 38 2HB GLU 6 2HB GLU 6 -0.259 13.928 -16.254 39 1HG GLU 6 1HG GLU 6 -0.124 14.673 -18.598 40 2HG GLU 6 2HG GLU 6 -1.878 14.544 -18.713 41 H ILE 7 H ILE 7 -0.345 11.562 -19.896 42 HA ILE 7 HA ILE 7 2.581 11.507 -19.409 43 HB ILE 7 HB ILE 7 1.050 9.671 -21.234 44 1HG1 ILE 7 1HG1 ILE 7 2.293 8.568 -18.814 45 2HG1 ILE 7 2HG1 ILE 7 0.916 9.632 -18.509 46 1HG2 ILE 7 1HG2 ILE 7 3.370 9.962 -21.871 47 2HG2 ILE 7 2HG2 ILE 7 3.117 8.348 -21.206 48 3HG2 ILE 7 3HG2 ILE 7 3.888 9.595 -20.225 49 1HD1 ILE 7 1HD1 ILE 7 -0.400 8.304 -20.089 50 2HD1 ILE 7 2HD1 ILE 7 0.158 7.376 -18.692 51 3HD1 ILE 7 3HD1 ILE 7 0.962 7.195 -20.254 52 H GLU 8 H GLU 8 3.919 12.372 -20.930 53 HA GLU 8 HA GLU 8 2.990 13.977 -23.041 54 1HB GLU 8 1HB GLU 8 5.651 12.759 -22.375 55 2HB GLU 8 2HB GLU 8 5.423 13.588 -23.906 56 1HG GLU 8 1HG GLU 8 6.422 15.048 -22.254 57 2HG GLU 8 2HG GLU 8 4.830 15.631 -22.730 58 H ILE 9 H ILE 9 2.637 13.593 -25.173 59 HA ILE 9 HA ILE 9 1.856 11.100 -26.078 60 HB ILE 9 HB ILE 9 1.139 13.144 -27.168 61 1HG1 ILE 9 1HG1 ILE 9 2.708 11.413 -29.087 62 2HG1 ILE 9 2HG1 ILE 9 1.099 11.050 -28.475 63 1HG2 ILE 9 1HG2 ILE 9 2.624 14.422 -28.636 64 2HG2 ILE 9 2HG2 ILE 9 3.977 13.407 -28.139 65 3HG2 ILE 9 3HG2 ILE 9 3.175 14.445 -26.960 66 1HD1 ILE 9 1HD1 ILE 9 1.859 13.387 -30.210 67 2HD1 ILE 9 2HD1 ILE 9 0.246 13.077 -29.567 68 3HD1 ILE 9 3HD1 ILE 9 0.973 11.946 -30.711 69 H GLU 10 H GLU 10 5.037 12.586 -26.206 70 HA GLU 10 HA GLU 10 6.168 10.675 -27.994 71 1HB GLU 10 1HB GLU 10 7.491 12.593 -26.072 72 2HB GLU 10 2HB GLU 10 8.337 11.645 -27.287 73 1HG GLU 10 1HG GLU 10 7.068 12.770 -29.045 74 2HG GLU 10 2HG GLU 10 6.241 13.736 -27.824 75 H ASP 11 H ASP 11 5.713 10.807 -24.545 76 HA ASP 11 HA ASP 11 7.619 8.776 -23.889 77 1HB ASP 11 1HB ASP 11 6.630 10.517 -22.297 78 2HB ASP 11 2HB ASP 11 5.178 9.523 -22.271 79 H MET 12 H MET 12 4.311 8.887 -24.893 80 HA MET 12 HA MET 12 3.595 6.190 -24.350 81 1HB MET 12 1HB MET 12 2.508 8.185 -26.352 82 2HB MET 12 2HB MET 12 1.767 6.631 -26.005 83 1HG MET 12 1HG MET 12 2.229 8.714 -23.896 84 2HG MET 12 2HG MET 12 0.765 8.653 -24.873 85 1HE MET 12 1HE MET 12 0.212 5.630 -25.268 86 2HE MET 12 2HE MET 12 -1.047 6.746 -24.736 87 3HE MET 12 3HE MET 12 -0.794 5.228 -23.876 88 H THR 13 H THR 13 3.606 4.399 -25.707 89 HA THR 13 HA THR 13 5.588 4.504 -27.832 90 HB THR 13 HB THR 13 4.124 2.117 -26.685 91 HG1 THR 13 HG1 THR 13 6.479 3.500 -25.966 92 1HG2 THR 13 1HG2 THR 13 5.885 0.797 -27.742 93 2HG2 THR 13 2HG2 THR 13 6.615 2.265 -28.395 94 3HG2 THR 13 3HG2 THR 13 5.024 1.747 -28.952 95 H PHE 14 H PHE 14 4.987 4.875 -29.835 96 HA PHE 14 HA PHE 14 2.233 4.878 -30.589 97 1HB PHE 14 1HB PHE 14 3.119 5.572 -32.827 98 2HB PHE 14 2HB PHE 14 3.632 6.596 -31.492 99 HD1 PHE 14 HD1 PHE 14 4.695 4.252 -34.071 100 HD2 PHE 14 HD2 PHE 14 5.953 6.566 -30.721 101 HE1 PHE 14 HE1 PHE 14 7.039 3.965 -34.755 102 HE2 PHE 14 HE2 PHE 14 8.301 6.275 -31.399 103 HZ PHE 14 HZ PHE 14 8.844 4.975 -33.421 104 H GLU 15 H GLU 15 1.107 3.510 -31.832 105 HA GLU 15 HA GLU 15 2.477 1.099 -32.830 106 1HB GLU 15 1HB GLU 15 0.641 0.958 -30.975 107 2HB GLU 15 2HB GLU 15 -0.473 1.240 -32.304 108 1HG GLU 15 1HG GLU 15 -0.352 -1.100 -31.953 109 2HG GLU 15 2HG GLU 15 0.511 -0.745 -33.450 110 HA PRO 16 HA PRO 16 1.361 3.772 -36.367 111 1HB PRO 16 1HB PRO 16 3.073 2.534 -38.127 112 2HB PRO 16 2HB PRO 16 3.520 3.865 -37.056 113 1HG PRO 16 1HG PRO 16 3.949 0.926 -36.708 114 2HG PRO 16 2HG PRO 16 5.043 2.274 -36.337 115 1HD PRO 16 1HD PRO 16 3.650 1.022 -34.417 116 2HD PRO 16 2HD PRO 16 3.965 2.767 -34.355 117 H GLU 17 H GLU 17 1.417 0.244 -36.300 118 HA GLU 17 HA GLU 17 0.198 -0.130 -38.838 119 1HB GLU 17 1HB GLU 17 -0.186 -2.059 -36.574 120 2HB GLU 17 2HB GLU 17 -0.026 -2.393 -38.290 121 1HG GLU 17 1HG GLU 17 2.022 -3.056 -37.646 122 2HG GLU 17 2HG GLU 17 2.383 -1.340 -37.841 123 H ASN 18 H ASN 18 -1.066 0.614 -35.689 124 HA ASN 18 HA ASN 18 -3.803 0.094 -36.642 125 1HB ASN 18 1HB ASN 18 -2.729 0.294 -33.818 126 2HB ASN 18 2HB ASN 18 -4.431 0.106 -34.225 127 1HD2 ASN 18 1HD2 ASN 18 -1.326 -1.435 -34.109 128 2HD2 ASN 18 2HD2 ASN 18 -1.889 -3.049 -34.347 129 H GLN 19 H GLN 19 -1.673 2.530 -36.378 130 HA GLN 19 HA GLN 19 -1.782 4.792 -36.343 131 1HB GLN 19 1HB GLN 19 -4.670 4.195 -36.976 132 2HB GLN 19 2HB GLN 19 -4.034 5.829 -36.906 133 1HG GLN 19 1HG GLN 19 -3.972 5.356 -39.155 134 2HG GLN 19 2HG GLN 19 -2.326 4.996 -38.647 135 1HE2 GLN 19 1HE2 GLN 19 -1.588 2.896 -38.731 136 2HE2 GLN 19 2HE2 GLN 19 -2.486 1.614 -39.468 137 H MET 20 H MET 20 -1.788 3.576 -33.845 138 HA MET 20 HA MET 20 -3.272 5.556 -32.290 139 1HB MET 20 1HB MET 20 -4.142 3.916 -30.734 140 2HB MET 20 2HB MET 20 -4.697 3.532 -32.357 141 1HG MET 20 1HG MET 20 -3.044 1.778 -32.539 142 2HG MET 20 2HG MET 20 -2.388 2.200 -30.957 143 1HE MET 20 1HE MET 20 -4.133 -1.273 -30.340 144 2HE MET 20 2HE MET 20 -2.631 -0.361 -30.194 145 3HE MET 20 3HE MET 20 -3.276 -0.750 -31.788 146 H PHE 21 H PHE 21 -2.589 5.480 -29.957 147 HA PHE 21 HA PHE 21 0.252 4.744 -29.738 148 1HB PHE 21 1HB PHE 21 -1.366 6.913 -28.421 149 2HB PHE 21 2HB PHE 21 0.145 6.355 -27.714 150 HD1 PHE 21 HD1 PHE 21 -1.362 7.975 -30.667 151 HD2 PHE 21 HD2 PHE 21 2.228 7.011 -28.597 152 HE1 PHE 21 HE1 PHE 21 -0.111 9.500 -32.135 153 HE2 PHE 21 HE2 PHE 21 3.485 8.533 -30.064 154 HZ PHE 21 HZ PHE 21 2.316 9.780 -31.835 155 H THR 22 H THR 22 0.950 3.593 -27.940 156 HA THR 22 HA THR 22 -1.153 2.528 -26.195 157 HB THR 22 HB THR 22 -0.065 0.267 -26.371 158 HG1 THR 22 HG1 THR 22 1.584 1.691 -28.028 159 1HG2 THR 22 1HG2 THR 22 -1.139 -0.315 -28.509 160 2HG2 THR 22 2HG2 THR 22 -1.275 1.400 -28.896 161 3HG2 THR 22 3HG2 THR 22 -2.159 0.734 -27.523 162 H TYR 23 H TYR 23 -0.353 1.604 -24.204 163 HA TYR 23 HA TYR 23 2.444 2.216 -23.575 164 1HB TYR 23 1HB TYR 23 0.615 3.970 -22.770 165 2HB TYR 23 2HB TYR 23 0.372 2.783 -21.494 166 HD1 TYR 23 HD1 TYR 23 3.101 4.678 -23.183 167 HD2 TYR 23 HD2 TYR 23 1.679 2.933 -19.574 168 HE1 TYR 23 HE1 TYR 23 5.016 5.634 -21.978 169 HE2 TYR 23 HE2 TYR 23 3.596 3.882 -18.357 170 HH TYR 23 HH TYR 23 5.700 6.235 -19.794 171 HA PRO 24 HA PRO 24 2.277 -1.976 -22.235 172 1HB PRO 24 1HB PRO 24 4.418 -1.910 -20.495 173 2HB PRO 24 2HB PRO 24 4.550 -2.085 -22.246 174 1HG PRO 24 1HG PRO 24 4.873 0.357 -20.558 175 2HG PRO 24 2HG PRO 24 5.806 -0.162 -21.974 176 1HD PRO 24 1HD PRO 24 3.926 1.752 -22.139 177 2HD PRO 24 2HD PRO 24 4.208 0.604 -23.462 178 H CYS 25 H CYS 25 0.826 -2.752 -20.916 179 HA CYS 25 HA CYS 25 0.875 -2.014 -18.075 180 1HB CYS 25 1HB CYS 25 -1.013 -0.842 -19.012 181 2HB CYS 25 2HB CYS 25 -1.542 -2.278 -19.881 182 HA PRO 26 HA PRO 26 0.508 -6.468 -17.819 183 1HB PRO 26 1HB PRO 26 0.698 -6.647 -15.109 184 2HB PRO 26 2HB PRO 26 2.086 -6.355 -16.158 185 1HG PRO 26 1HG PRO 26 0.798 -4.542 -14.278 186 2HG PRO 26 2HG PRO 26 2.341 -4.357 -15.124 187 1HD PRO 26 1HD PRO 26 -0.265 -3.208 -15.773 188 2HD PRO 26 2HD PRO 26 1.335 -2.806 -16.432 189 H CYS 27 H CYS 27 -1.385 -7.430 -18.123 190 HA CYS 27 HA CYS 27 -3.345 -7.898 -16.231 191 1HB CYS 27 1HB CYS 27 -5.178 -6.443 -16.880 192 2HB CYS 27 2HB CYS 27 -3.802 -5.441 -16.434 193 H GLY 28 H GLY 28 -2.718 -7.199 -19.602 194 1HA GLY 28 1HA GLY 28 -2.855 -9.540 -20.820 195 2HA GLY 28 2HA GLY 28 -4.566 -9.260 -20.512 196 H ASP 29 H ASP 29 -3.713 -6.261 -20.766 197 HA ASP 29 HA ASP 29 -3.320 -6.133 -23.656 198 1HB ASP 29 1HB ASP 29 -5.856 -5.909 -22.654 199 2HB ASP 29 2HB ASP 29 -5.339 -4.225 -22.702 200 H ARG 30 H ARG 30 -3.235 -3.650 -24.261 201 HA ARG 30 HA ARG 30 -1.626 -2.300 -22.193 202 1HB ARG 30 1HB ARG 30 -0.316 -1.300 -24.089 203 2HB ARG 30 2HB ARG 30 -0.105 -3.035 -23.898 204 1HG ARG 30 1HG ARG 30 -1.692 -3.422 -25.722 205 2HG ARG 30 2HG ARG 30 -1.871 -1.677 -25.925 206 1HD ARG 30 1HD ARG 30 -0.319 -2.595 -27.564 207 2HD ARG 30 2HD ARG 30 0.506 -1.498 -26.460 208 HE ARG 30 HE ARG 30 0.683 -4.192 -25.565 209 1HH1 ARG 30 1HH1 ARG 30 1.996 -1.980 -27.942 210 2HH1 ARG 30 2HH1 ARG 30 3.539 -2.774 -28.016 211 1HH2 ARG 30 1HH2 ARG 30 2.686 -5.275 -25.695 212 2HH2 ARG 30 2HH2 ARG 30 3.916 -4.680 -26.777 213 H PHE 31 H PHE 31 -1.817 -0.024 -22.082 214 HA PHE 31 HA PHE 31 -4.313 1.107 -22.430 215 1HB PHE 31 1HB PHE 31 -1.638 2.527 -22.473 216 2HB PHE 31 2HB PHE 31 -3.192 3.316 -22.243 217 HD1 PHE 31 HD1 PHE 31 -0.517 1.465 -20.697 218 HD2 PHE 31 HD2 PHE 31 -4.499 2.866 -20.185 219 HE1 PHE 31 HE1 PHE 31 -0.316 1.132 -18.267 220 HE2 PHE 31 HE2 PHE 31 -4.309 2.535 -17.758 221 HZ PHE 31 HZ PHE 31 -2.214 1.671 -16.795 222 H GLN 32 H GLN 32 -5.448 1.812 -24.153 223 HA GLN 32 HA GLN 32 -3.945 2.205 -26.654 224 1HB GLN 32 1HB GLN 32 -5.833 1.250 -27.872 225 2HB GLN 32 2HB GLN 32 -5.213 0.112 -26.685 226 1HG GLN 32 1HG GLN 32 -7.067 0.861 -25.158 227 2HG GLN 32 2HG GLN 32 -7.733 1.749 -26.526 228 1HE2 GLN 32 1HE2 GLN 32 -6.159 -1.405 -26.675 229 2HE2 GLN 32 2HE2 GLN 32 -7.566 -2.282 -27.162 230 H ILE 33 H ILE 33 -4.256 4.032 -27.720 231 HA ILE 33 HA ILE 33 -6.732 5.526 -27.406 232 HB ILE 33 HB ILE 33 -5.312 6.530 -25.711 233 1HG1 ILE 33 1HG1 ILE 33 -5.528 8.294 -28.161 234 2HG1 ILE 33 2HG1 ILE 33 -6.819 7.987 -27.005 235 1HG2 ILE 33 1HG2 ILE 33 -3.319 6.992 -27.925 236 2HG2 ILE 33 2HG2 ILE 33 -3.132 5.902 -26.548 237 3HG2 ILE 33 3HG2 ILE 33 -3.204 7.647 -26.291 238 1HD1 ILE 33 1HD1 ILE 33 -5.500 9.046 -25.249 239 2HD1 ILE 33 2HD1 ILE 33 -5.791 10.138 -26.603 240 3HD1 ILE 33 3HD1 ILE 33 -4.216 9.367 -26.413 241 H TYR 34 H TYR 34 -7.404 6.260 -29.336 242 HA TYR 34 HA TYR 34 -5.643 5.765 -31.600 243 1HB TYR 34 1HB TYR 34 -8.597 6.408 -31.544 244 2HB TYR 34 2HB TYR 34 -7.672 5.941 -32.969 245 HD1 TYR 34 HD1 TYR 34 -9.535 4.779 -30.130 246 HD2 TYR 34 HD2 TYR 34 -6.618 3.625 -33.006 247 HE1 TYR 34 HE1 TYR 34 -9.984 2.414 -29.629 248 HE2 TYR 34 HE2 TYR 34 -7.061 1.257 -32.513 249 HH TYR 34 HH TYR 34 -7.963 -0.060 -30.490 250 H LEU 35 H LEU 35 -5.208 7.283 -33.201 251 HA LEU 35 HA LEU 35 -4.647 9.865 -32.267 252 1HB LEU 35 1HB LEU 35 -3.813 8.370 -34.358 253 2HB LEU 35 2HB LEU 35 -4.892 9.467 -35.194 254 HG LEU 35 HG LEU 35 -2.516 10.190 -35.217 255 1HD1 LEU 35 1HD1 LEU 35 -4.403 12.023 -33.753 256 2HD1 LEU 35 2HD1 LEU 35 -4.251 11.846 -35.502 257 3HD1 LEU 35 3HD1 LEU 35 -2.917 12.515 -34.565 258 1HD2 LEU 35 1HD2 LEU 35 -1.512 11.066 -33.181 259 2HD2 LEU 35 2HD2 LEU 35 -1.875 9.348 -33.022 260 3HD2 LEU 35 3HD2 LEU 35 -2.917 10.546 -32.251 261 H ASP 36 H ASP 36 -7.368 8.548 -33.987 262 HA ASP 36 HA ASP 36 -8.660 10.833 -34.878 263 1HB ASP 36 1HB ASP 36 -9.538 8.732 -35.543 264 2HB ASP 36 2HB ASP 36 -9.711 8.187 -33.879 265 H ASP 37 H ASP 37 -8.959 9.217 -31.721 266 HA ASP 37 HA ASP 37 -10.822 11.052 -30.648 267 1HB ASP 37 1HB ASP 37 -8.876 9.252 -29.184 268 2HB ASP 37 2HB ASP 37 -10.271 10.054 -28.469 269 H MET 38 H MET 38 -7.316 10.870 -30.611 270 HA MET 38 HA MET 38 -6.836 12.915 -28.733 271 1HB MET 38 1HB MET 38 -5.083 12.068 -31.048 272 2HB MET 38 2HB MET 38 -4.563 12.982 -29.640 273 1HG MET 38 1HG MET 38 -5.120 11.068 -28.211 274 2HG MET 38 2HG MET 38 -5.592 10.157 -29.645 275 1HE MET 38 1HE MET 38 -1.286 11.449 -28.601 276 2HE MET 38 2HE MET 38 -2.681 11.646 -27.537 277 3HE MET 38 3HE MET 38 -2.541 12.620 -29.001 278 H PHE 39 H PHE 39 -7.205 12.960 -32.246 279 HA PHE 39 HA PHE 39 -6.586 15.702 -32.594 280 1HB PHE 39 1HB PHE 39 -6.540 14.003 -34.409 281 2HB PHE 39 2HB PHE 39 -8.298 13.926 -34.346 282 HD1 PHE 39 HD1 PHE 39 -9.556 15.323 -35.697 283 HD2 PHE 39 HD2 PHE 39 -5.505 16.324 -34.870 284 HE1 PHE 39 HE1 PHE 39 -9.689 17.176 -37.312 285 HE2 PHE 39 HE2 PHE 39 -5.628 18.178 -36.482 286 HZ PHE 39 HZ PHE 39 -7.722 18.605 -37.707 287 H GLU 40 H GLU 40 -9.501 13.979 -31.758 288 HA GLU 40 HA GLU 40 -11.334 16.093 -32.181 289 1HB GLU 40 1HB GLU 40 -11.405 13.616 -30.469 290 2HB GLU 40 2HB GLU 40 -12.743 14.749 -30.532 291 1HG GLU 40 1HG GLU 40 -11.606 13.255 -32.881 292 2HG GLU 40 2HG GLU 40 -13.087 12.842 -32.016 293 H GLY 41 H GLY 41 -8.937 15.580 -29.816 294 1HA GLY 41 1HA GLY 41 -8.323 17.377 -28.349 295 2HA GLY 41 2HA GLY 41 -10.020 17.834 -28.260 296 H GLU 42 H GLU 42 -10.284 14.678 -28.086 297 HA GLU 42 HA GLU 42 -10.330 14.683 -25.174 298 1HB GLU 42 1HB GLU 42 -12.325 13.907 -26.398 299 2HB GLU 42 2HB GLU 42 -11.366 12.645 -27.157 300 1HG GLU 42 1HG GLU 42 -11.073 11.509 -25.099 301 2HG GLU 42 2HG GLU 42 -11.737 12.865 -24.186 302 H LYS 43 H LYS 43 -8.218 14.441 -24.550 303 HA LYS 43 HA LYS 43 -6.743 12.215 -25.742 304 1HB LYS 43 1HB LYS 43 -4.742 13.458 -24.641 305 2HB LYS 43 2HB LYS 43 -5.420 14.029 -26.154 306 1HG LYS 43 1HG LYS 43 -5.226 15.995 -25.038 307 2HG LYS 43 2HG LYS 43 -6.858 15.550 -24.557 308 1HD LYS 43 1HD LYS 43 -5.929 14.591 -22.472 309 2HD LYS 43 2HD LYS 43 -4.332 15.160 -22.963 310 1HE LYS 43 1HE LYS 43 -5.183 17.460 -23.003 311 2HE LYS 43 2HE LYS 43 -6.759 16.879 -22.473 312 1HZ LYS 43 1HZ LYS 43 -4.212 16.874 -20.959 313 2HZ LYS 43 2HZ LYS 43 -5.546 15.949 -20.482 314 3HZ LYS 43 3HZ LYS 43 -5.670 17.641 -20.554 315 H VAL 44 H VAL 44 -7.184 10.509 -24.630 316 HA VAL 44 HA VAL 44 -5.994 10.136 -22.078 317 HB VAL 44 HB VAL 44 -7.933 11.075 -21.096 318 1HG1 VAL 44 1HG1 VAL 44 -10.221 10.450 -21.705 319 2HG1 VAL 44 2HG1 VAL 44 -9.590 9.433 -23.001 320 3HG1 VAL 44 3HG1 VAL 44 -9.350 11.180 -23.052 321 1HG2 VAL 44 1HG2 VAL 44 -9.048 9.198 -19.985 322 2HG2 VAL 44 2HG2 VAL 44 -7.304 8.955 -20.072 323 3HG2 VAL 44 3HG2 VAL 44 -8.371 8.089 -21.178 324 H ALA 45 H ALA 45 -5.356 8.070 -21.949 325 HA ALA 45 HA ALA 45 -6.340 6.272 -24.048 326 1HB ALA 45 1HB ALA 45 -4.298 4.958 -23.600 327 2HB ALA 45 2HB ALA 45 -3.826 6.151 -22.390 328 3HB ALA 45 3HB ALA 45 -3.949 6.618 -24.085 329 H VAL 46 H VAL 46 -7.153 4.286 -23.591 330 HA VAL 46 HA VAL 46 -7.628 3.695 -20.747 331 HB VAL 46 HB VAL 46 -9.708 4.363 -21.806 332 1HG1 VAL 46 1HG1 VAL 46 -10.706 3.055 -23.634 333 2HG1 VAL 46 2HG1 VAL 46 -9.201 2.146 -23.773 334 3HG1 VAL 46 3HG1 VAL 46 -9.221 3.876 -24.118 335 1HG2 VAL 46 1HG2 VAL 46 -9.827 2.651 -20.087 336 2HG2 VAL 46 2HG2 VAL 46 -9.613 1.398 -21.310 337 3HG2 VAL 46 3HG2 VAL 46 -11.071 2.390 -21.310 338 H CYS 47 H CYS 47 -7.146 1.690 -20.068 339 HA CYS 47 HA CYS 47 -6.206 -0.164 -22.102 340 1HB CYS 47 1HB CYS 47 -4.741 0.458 -20.119 341 2HB CYS 47 2HB CYS 47 -5.875 -0.436 -19.118 342 HA PRO 48 HA PRO 48 -10.068 -2.287 -21.521 343 1HB PRO 48 1HB PRO 48 -9.533 -4.334 -23.228 344 2HB PRO 48 2HB PRO 48 -10.025 -2.727 -23.773 345 1HG PRO 48 1HG PRO 48 -7.305 -3.948 -23.680 346 2HG PRO 48 2HG PRO 48 -8.025 -2.896 -24.912 347 1HD PRO 48 1HD PRO 48 -6.272 -2.017 -23.015 348 2HD PRO 48 2HD PRO 48 -7.507 -0.986 -23.760 349 H SER 49 H SER 49 -10.783 -4.204 -20.583 350 HA SER 49 HA SER 49 -10.771 -6.131 -19.412 351 1HB SER 49 1HB SER 49 -7.812 -6.184 -20.003 352 2HB SER 49 2HB SER 49 -8.693 -7.475 -19.187 353 HG SER 49 HG SER 49 -8.353 -7.289 -21.726 354 H CYS 50 H CYS 50 -7.910 -4.107 -18.540 355 HA CYS 50 HA CYS 50 -8.604 -4.570 -15.742 356 1HB CYS 50 1HB CYS 50 -6.519 -3.620 -15.145 357 2HB CYS 50 2HB CYS 50 -6.200 -4.597 -16.572 358 H SER 51 H SER 51 -8.858 -2.158 -18.203 359 HA SER 51 HA SER 51 -10.224 -0.371 -18.394 360 1HB SER 51 1HB SER 51 -11.882 -1.782 -17.224 361 2HB SER 51 2HB SER 51 -11.293 -1.179 -15.675 362 HG SER 51 HG SER 51 -11.874 0.955 -16.456 363 H LEU 52 H LEU 52 -7.628 0.180 -17.564 364 HA LEU 52 HA LEU 52 -8.004 2.288 -15.569 365 1HB LEU 52 1HB LEU 52 -6.159 0.721 -15.147 366 2HB LEU 52 2HB LEU 52 -5.448 1.142 -16.694 367 HG LEU 52 HG LEU 52 -5.072 3.438 -15.912 368 1HD1 LEU 52 1HD1 LEU 52 -6.205 2.450 -13.298 369 2HD1 LEU 52 2HD1 LEU 52 -6.941 3.640 -14.371 370 3HD1 LEU 52 3HD1 LEU 52 -5.420 4.008 -13.557 371 1HD2 LEU 52 1HD2 LEU 52 -3.345 2.942 -14.248 372 2HD2 LEU 52 2HD2 LEU 52 -3.310 1.800 -15.592 373 3HD2 LEU 52 3HD2 LEU 52 -4.011 1.322 -14.044 374 H MET 53 H MET 53 -7.725 4.378 -16.067 375 HA MET 53 HA MET 53 -7.200 5.041 -18.888 376 1HB MET 53 1HB MET 53 -9.246 6.275 -17.032 377 2HB MET 53 2HB MET 53 -8.868 6.869 -18.644 378 1HG MET 53 1HG MET 53 -9.780 4.977 -19.674 379 2HG MET 53 2HG MET 53 -9.791 4.062 -18.169 380 1HE MET 53 1HE MET 53 -11.438 4.452 -16.210 381 2HE MET 53 2HE MET 53 -12.680 5.704 -16.171 382 3HE MET 53 3HE MET 53 -10.975 6.152 -16.092 383 H ILE 54 H ILE 54 -5.892 6.745 -19.295 384 HA ILE 54 HA ILE 54 -5.131 8.526 -17.106 385 HB ILE 54 HB ILE 54 -2.787 8.306 -17.381 386 1HG1 ILE 54 1HG1 ILE 54 -2.715 8.031 -19.822 387 2HG1 ILE 54 2HG1 ILE 54 -1.698 6.851 -19.007 388 1HG2 ILE 54 1HG2 ILE 54 -2.356 5.925 -16.845 389 2HG2 ILE 54 2HG2 ILE 54 -4.028 5.564 -17.286 390 3HG2 ILE 54 3HG2 ILE 54 -3.685 6.633 -15.927 391 1HD1 ILE 54 1HD1 ILE 54 -4.397 6.381 -20.227 392 2HD1 ILE 54 2HD1 ILE 54 -3.496 5.182 -19.298 393 3HD1 ILE 54 3HD1 ILE 54 -2.839 5.797 -20.815 394 H ASP 55 H ASP 55 -4.186 10.496 -17.825 395 HA ASP 55 HA ASP 55 -5.343 11.428 -20.298 396 1HB ASP 55 1HB ASP 55 -5.272 12.707 -18.122 397 2HB ASP 55 2HB ASP 55 -3.539 12.883 -18.345 398 H VAL 56 H VAL 56 -4.174 12.255 -22.087 399 HA VAL 56 HA VAL 56 -1.297 11.638 -22.117 400 HB VAL 56 HB VAL 56 -3.228 10.918 -24.323 401 1HG1 VAL 56 1HG1 VAL 56 -1.252 9.940 -25.433 402 2HG1 VAL 56 2HG1 VAL 56 -0.233 10.635 -24.173 403 3HG1 VAL 56 3HG1 VAL 56 -1.140 11.691 -25.257 404 1HG2 VAL 56 1HG2 VAL 56 -2.562 8.603 -23.863 405 2HG2 VAL 56 2HG2 VAL 56 -3.329 9.353 -22.463 406 3HG2 VAL 56 3HG2 VAL 56 -1.576 9.165 -22.511 407 H VAL 57 H VAL 57 -0.245 13.437 -22.507 408 HA VAL 57 HA VAL 57 -1.639 15.723 -23.663 409 HB VAL 57 HB VAL 57 1.222 15.613 -22.715 410 1HG1 VAL 57 1HG1 VAL 57 0.930 18.023 -22.409 411 2HG1 VAL 57 2HG1 VAL 57 -0.717 17.901 -23.027 412 3HG1 VAL 57 3HG1 VAL 57 0.650 17.545 -24.084 413 1HG2 VAL 57 1HG2 VAL 57 -0.263 14.847 -20.923 414 2HG2 VAL 57 2HG2 VAL 57 -1.243 16.301 -21.113 415 3HG2 VAL 57 3HG2 VAL 57 0.425 16.429 -20.558 416 H PHE 58 H PHE 58 -1.461 16.372 -25.720 417 HA PHE 58 HA PHE 58 0.646 15.143 -27.368 418 1HB PHE 58 1HB PHE 58 -0.919 15.116 -29.241 419 2HB PHE 58 2HB PHE 58 -1.591 14.233 -27.877 420 HD1 PHE 58 HD1 PHE 58 -3.557 15.021 -26.738 421 HD2 PHE 58 HD2 PHE 58 -1.849 17.272 -29.915 422 HE1 PHE 58 HE1 PHE 58 -5.601 16.384 -26.868 423 HE2 PHE 58 HE2 PHE 58 -3.888 18.640 -30.048 424 HZ PHE 58 HZ PHE 58 -5.768 18.198 -28.526 425 H ASP 59 H ASP 59 1.206 16.356 -29.335 426 HA ASP 59 HA ASP 59 0.678 19.245 -29.157 427 1HB ASP 59 1HB ASP 59 3.247 17.898 -29.135 428 2HB ASP 59 2HB ASP 59 3.114 18.993 -30.502 429 H LYS 60 H LYS 60 0.668 20.348 -31.156 430 HA LYS 60 HA LYS 60 -0.808 18.967 -33.114 431 1HB LYS 60 1HB LYS 60 0.508 21.679 -33.109 432 2HB LYS 60 2HB LYS 60 -0.457 21.094 -34.459 433 1HG LYS 60 1HG LYS 60 -2.406 20.944 -33.068 434 2HG LYS 60 2HG LYS 60 -1.459 21.349 -31.634 435 1HD LYS 60 1HD LYS 60 -1.045 23.552 -32.440 436 2HD LYS 60 2HD LYS 60 -1.733 23.168 -34.020 437 1HE LYS 60 1HE LYS 60 -3.928 22.844 -32.967 438 2HE LYS 60 2HE LYS 60 -3.230 23.254 -31.401 439 1HZ LYS 60 1HZ LYS 60 -4.436 25.085 -32.648 440 2HZ LYS 60 2HZ LYS 60 -3.098 25.120 -33.693 441 3HZ LYS 60 3HZ LYS 60 -2.895 25.458 -32.046 442 H GLU 61 H GLU 61 2.586 19.930 -32.968 443 HA GLU 61 HA GLU 61 3.245 19.276 -35.627 444 1HB GLU 61 1HB GLU 61 4.962 19.389 -33.143 445 2HB GLU 61 2HB GLU 61 5.594 19.234 -34.777 446 1HG GLU 61 1HG GLU 61 4.793 21.379 -35.386 447 2HG GLU 61 2HG GLU 61 3.844 21.516 -33.907 448 H ASP 62 H ASP 62 3.352 17.381 -32.633 449 HA ASP 62 HA ASP 62 4.588 15.113 -33.802 450 1HB ASP 62 1HB ASP 62 2.976 15.412 -31.266 451 2HB ASP 62 2HB ASP 62 3.765 13.911 -31.743 452 H LEU 63 H LEU 63 1.237 16.076 -33.350 453 HA LEU 63 HA LEU 63 0.025 13.651 -34.068 454 1HB LEU 63 1HB LEU 63 -0.909 16.491 -34.447 455 2HB LEU 63 2HB LEU 63 -1.913 15.093 -34.773 456 HG LEU 63 HG LEU 63 -0.824 15.962 -32.099 457 1HD1 LEU 63 1HD1 LEU 63 -3.630 15.729 -33.172 458 2HD1 LEU 63 2HD1 LEU 63 -2.742 17.229 -32.910 459 3HD1 LEU 63 3HD1 LEU 63 -3.183 16.215 -31.536 460 1HD2 LEU 63 1HD2 LEU 63 -2.448 13.511 -32.782 461 2HD2 LEU 63 2HD2 LEU 63 -2.026 14.056 -31.158 462 3HD2 LEU 63 3HD2 LEU 63 -0.761 13.522 -32.266 463 H ALA 64 H ALA 64 0.779 16.491 -36.079 464 HA ALA 64 HA ALA 64 -0.067 15.450 -38.525 465 1HB ALA 64 1HB ALA 64 1.308 17.171 -39.559 466 2HB ALA 64 2HB ALA 64 2.163 17.418 -38.037 467 3HB ALA 64 3HB ALA 64 0.450 17.818 -38.160 468 H GLU 65 H GLU 65 3.085 15.277 -36.937 469 HA GLU 65 HA GLU 65 4.471 13.978 -39.003 470 1HB GLU 65 1HB GLU 65 5.560 15.021 -37.051 471 2HB GLU 65 2HB GLU 65 4.894 13.770 -36.016 472 1HG GLU 65 1HG GLU 65 6.204 12.085 -37.106 473 2HG GLU 65 2HG GLU 65 6.780 13.248 -38.299 474 H TYR 66 H TYR 66 2.714 12.682 -36.194 475 HA TYR 66 HA TYR 66 3.238 9.980 -36.729 476 1HB TYR 66 1HB TYR 66 2.371 10.800 -34.561 477 2HB TYR 66 2HB TYR 66 0.816 11.122 -35.323 478 HD1 TYR 66 HD1 TYR 66 -0.782 9.399 -35.585 479 HD2 TYR 66 HD2 TYR 66 3.209 8.411 -34.490 480 HE1 TYR 66 HE1 TYR 66 -1.470 7.073 -35.185 481 HE2 TYR 66 HE2 TYR 66 2.526 6.086 -34.085 482 HH TYR 66 HH TYR 66 0.301 4.907 -33.474 483 H TYR 67 H TYR 67 0.682 12.123 -37.900 484 HA TYR 67 HA TYR 67 -0.980 10.271 -39.115 485 1HB TYR 67 1HB TYR 67 -0.259 13.106 -39.748 486 2HB TYR 67 2HB TYR 67 -1.237 12.192 -40.882 487 HD1 TYR 67 HD1 TYR 67 -3.311 10.958 -39.777 488 HD2 TYR 67 HD2 TYR 67 -1.351 14.357 -38.138 489 HE1 TYR 67 HE1 TYR 67 -5.344 11.511 -38.514 490 HE2 TYR 67 HE2 TYR 67 -3.377 14.914 -36.863 491 HH TYR 67 HH TYR 67 -5.981 12.756 -36.517 492 H GLU 68 H GLU 68 1.989 11.757 -40.353 493 HA GLU 68 HA GLU 68 1.862 10.350 -42.850 494 1HB GLU 68 1HB GLU 68 2.940 12.549 -42.632 495 2HB GLU 68 2HB GLU 68 4.151 11.847 -41.569 496 1HG GLU 68 1HG GLU 68 5.056 10.538 -43.323 497 2HG GLU 68 2HG GLU 68 3.711 10.929 -44.392 498 H GLU 69 H GLU 69 3.683 10.010 -39.835 499 HA GLU 69 HA GLU 69 5.378 7.924 -40.584 500 1HB GLU 69 1HB GLU 69 4.233 8.736 -37.922 501 2HB GLU 69 2HB GLU 69 5.329 7.370 -38.076 502 1HG GLU 69 1HG GLU 69 5.951 10.202 -38.890 503 2HG GLU 69 2HG GLU 69 6.476 9.425 -37.397 504 H ALA 70 H ALA 70 2.157 7.753 -39.080 505 HA ALA 70 HA ALA 70 2.171 4.874 -39.080 506 1HB ALA 70 1HB ALA 70 -0.117 6.773 -38.578 507 2HB ALA 70 2HB ALA 70 1.012 6.194 -37.353 508 3HB ALA 70 3HB ALA 70 -0.063 5.058 -38.169 509 H GLY 71 H GLY 71 1.135 7.375 -41.245 510 1HA GLY 71 1HA GLY 71 0.500 7.115 -43.473 511 2HA GLY 71 2HA GLY 71 0.383 5.380 -43.214 512 H ILE 72 H ILE 72 -1.136 8.263 -41.846 513 HA ILE 72 HA ILE 72 -3.699 6.869 -41.795 514 HB ILE 72 HB ILE 72 -3.122 9.617 -40.689 515 1HG1 ILE 72 1HG1 ILE 72 -2.784 6.935 -39.324 516 2HG1 ILE 72 2HG1 ILE 72 -1.494 8.058 -39.723 517 1HG2 ILE 72 1HG2 ILE 72 -4.998 9.082 -39.192 518 2HG2 ILE 72 2HG2 ILE 72 -5.196 7.534 -40.013 519 3HG2 ILE 72 3HG2 ILE 72 -5.469 9.039 -40.890 520 1HD1 ILE 72 1HD1 ILE 72 -2.052 8.138 -37.361 521 2HD1 ILE 72 2HD1 ILE 72 -3.717 8.561 -37.758 522 3HD1 ILE 72 3HD1 ILE 72 -2.406 9.675 -38.148 523 H HIS 73 H HIS 73 -5.593 7.846 -42.656 524 HA HIS 73 HA HIS 73 -5.400 8.884 -45.230 525 1HB HIS 73 1HB HIS 73 -7.385 7.745 -44.053 526 2HB HIS 73 2HB HIS 73 -7.766 9.340 -43.415 527 HD1 HIS 73 HD1 HIS 73 -9.103 10.858 -44.883 528 HD2 HIS 73 HD2 HIS 73 -7.515 7.615 -46.957 529 HE1 HIS 73 HE1 HIS 73 -10.124 10.949 -47.188 530 HE2 HIS 73 HE2 HIS 73 -9.162 8.969 -48.424 531 HA PRO 74 HA PRO 74 -4.139 13.090 -45.127 532 1HB PRO 74 1HB PRO 74 -6.527 13.943 -46.533 533 2HB PRO 74 2HB PRO 74 -4.865 13.854 -47.114 534 1HG PRO 74 1HG PRO 74 -7.056 11.935 -47.443 535 2HG PRO 74 2HG PRO 74 -5.546 12.084 -48.357 536 1HD PRO 74 1HD PRO 74 -6.004 10.025 -46.678 537 2HD PRO 74 2HD PRO 74 -4.382 10.717 -46.896 538 HA PRO 75 HA PRO 75 -6.722 14.434 -41.669 539 1HB PRO 75 1HB PRO 75 -4.760 15.637 -40.309 540 2HB PRO 75 2HB PRO 75 -4.901 13.873 -40.352 541 1HG PRO 75 1HG PRO 75 -3.082 15.670 -41.912 542 2HG PRO 75 2HG PRO 75 -2.722 14.119 -41.133 543 1HD PRO 75 1HD PRO 75 -3.249 14.416 -43.816 544 2HD PRO 75 2HD PRO 75 -3.507 12.912 -42.911 545 H GLU 76 H GLU 76 -7.242 16.559 -40.792 546 HA GLU 76 HA GLU 76 -7.286 18.617 -42.775 547 1HB GLU 76 1HB GLU 76 -8.028 18.755 -39.839 548 2HB GLU 76 2HB GLU 76 -8.448 19.943 -41.065 549 1HG GLU 76 1HG GLU 76 -9.783 18.243 -42.230 550 2HG GLU 76 2HG GLU 76 -9.395 17.088 -40.956 551 HA PRO 77 HA PRO 77 -3.194 19.962 -41.753 552 1HB PRO 77 1HB PRO 77 -3.797 22.284 -43.445 553 2HB PRO 77 2HB PRO 77 -2.562 21.039 -43.640 554 1HG PRO 77 1HG PRO 77 -4.718 21.156 -45.239 555 2HG PRO 77 2HG PRO 77 -3.986 19.612 -44.758 556 1HD PRO 77 1HD PRO 77 -6.445 20.959 -43.695 557 2HD PRO 77 2HD PRO 77 -6.161 19.238 -44.039 558 H ILE 78 H ILE 78 -2.296 21.249 -40.325 559 HA ILE 78 HA ILE 78 -3.965 23.244 -38.991 560 HB ILE 78 HB ILE 78 -2.213 23.230 -37.237 561 1HG1 ILE 78 1HG1 ILE 78 -0.977 21.028 -38.905 562 2HG1 ILE 78 2HG1 ILE 78 -0.316 22.648 -38.712 563 1HG2 ILE 78 1HG2 ILE 78 -4.128 21.733 -37.047 564 2HG2 ILE 78 2HG2 ILE 78 -2.681 20.992 -36.363 565 3HG2 ILE 78 3HG2 ILE 78 -3.261 20.492 -37.952 566 1HD1 ILE 78 1HD1 ILE 78 0.853 21.063 -37.313 567 2HD1 ILE 78 2HD1 ILE 78 -0.660 20.594 -36.537 568 3HD1 ILE 78 3HD1 ILE 78 -0.021 22.225 -36.318 569 H ALA 79 H ALA 79 -2.670 25.215 -38.191 570 HA ALA 79 HA ALA 79 -0.688 26.039 -40.199 571 1HB ALA 79 1HB ALA 79 -2.796 27.827 -38.985 572 2HB ALA 79 2HB ALA 79 -2.826 27.185 -40.627 573 3HB ALA 79 3HB ALA 79 -1.556 28.310 -40.143 574 H ALA 80 H ALA 80 1.148 25.879 -39.078 575 HA ALA 80 HA ALA 80 1.363 27.414 -36.593 576 1HB ALA 80 1HB ALA 80 0.942 25.093 -35.926 577 2HB ALA 80 2HB ALA 80 2.570 25.606 -35.480 578 3HB ALA 80 3HB ALA 80 2.326 24.567 -36.884 579 H ALA 81 H ALA 81 2.831 28.897 -37.082 580 HA ALA 81 HA ALA 81 5.025 28.290 -38.886 581 1HB ALA 81 1HB ALA 81 3.889 30.456 -39.069 582 2HB ALA 81 2HB ALA 81 5.587 30.661 -38.642 583 3HB ALA 81 3HB ALA 81 4.342 30.836 -37.407 584 H ALA 82 H ALA 82 4.541 29.371 -35.541 585 HA ALA 82 HA ALA 82 6.525 27.702 -34.436 586 1HB ALA 82 1HB ALA 82 8.073 29.259 -35.526 587 2HB ALA 82 2HB ALA 82 8.184 29.359 -33.769 588 3HB ALA 82 3HB ALA 82 7.320 30.605 -34.671 Start of MODEL 13 1 1H MET 1 1H MET 1 -11.135 5.517 -10.438 2 HA MET 1 HA MET 1 -12.965 6.159 -12.651 3 1HB MET 1 1HB MET 1 -13.454 6.274 -9.730 4 2HB MET 1 2HB MET 1 -14.020 7.653 -10.662 5 1HG MET 1 1HG MET 1 -14.743 4.780 -11.181 6 2HG MET 1 2HG MET 1 -15.749 5.959 -10.338 7 1HE MET 1 1HE MET 1 -16.911 4.333 -12.741 8 2HE MET 1 2HE MET 1 -17.693 5.596 -13.693 9 3HE MET 1 3HE MET 1 -17.816 5.613 -11.932 10 H SER 2 H SER 2 -10.061 6.795 -11.713 11 HA SER 2 HA SER 2 -10.292 9.664 -12.238 12 1HB SER 2 1HB SER 2 -8.602 8.508 -10.005 13 2HB SER 2 2HB SER 2 -8.713 10.210 -10.457 14 HG SER 2 HG SER 2 -11.176 9.392 -10.087 15 H THR 3 H THR 3 -8.796 10.431 -13.615 16 HA THR 3 HA THR 3 -6.741 8.667 -14.627 17 HB THR 3 HB THR 3 -6.160 10.930 -15.867 18 HG1 THR 3 HG1 THR 3 -7.660 12.424 -15.713 19 1HG2 THR 3 1HG2 THR 3 -7.714 10.293 -17.644 20 2HG2 THR 3 2HG2 THR 3 -8.592 9.265 -16.511 21 3HG2 THR 3 3HG2 THR 3 -6.926 8.878 -16.945 22 H TYR 4 H TYR 4 -5.252 8.366 -13.078 23 HA TYR 4 HA TYR 4 -4.402 10.416 -11.293 24 1HB TYR 4 1HB TYR 4 -4.456 8.051 -10.627 25 2HB TYR 4 2HB TYR 4 -3.206 7.686 -11.810 26 HD1 TYR 4 HD1 TYR 4 -0.894 8.186 -11.366 27 HD2 TYR 4 HD2 TYR 4 -3.919 9.342 -8.609 28 HE1 TYR 4 HE1 TYR 4 0.828 8.655 -9.681 29 HE2 TYR 4 HE2 TYR 4 -2.203 9.815 -6.916 30 HH TYR 4 HH TYR 4 1.007 10.167 -7.609 31 H ASP 5 H ASP 5 -3.109 9.092 -14.278 32 HA ASP 5 HA ASP 5 -0.655 10.664 -13.847 33 1HB ASP 5 1HB ASP 5 -0.695 8.028 -14.187 34 2HB ASP 5 2HB ASP 5 -0.767 8.483 -15.885 35 H GLU 6 H GLU 6 0.368 11.488 -15.807 36 HA GLU 6 HA GLU 6 -1.226 11.893 -18.173 37 1HB GLU 6 1HB GLU 6 -2.142 13.629 -16.676 38 2HB GLU 6 2HB GLU 6 -0.522 14.256 -16.407 39 1HG GLU 6 1HG GLU 6 -0.359 14.832 -18.782 40 2HG GLU 6 2HG GLU 6 -1.990 14.216 -19.035 41 H ILE 7 H ILE 7 0.283 11.402 -19.622 42 HA ILE 7 HA ILE 7 3.012 12.445 -19.202 43 HB ILE 7 HB ILE 7 2.547 9.979 -20.839 44 1HG1 ILE 7 1HG1 ILE 7 3.258 8.778 -18.584 45 2HG1 ILE 7 2HG1 ILE 7 2.425 10.146 -17.855 46 1HG2 ILE 7 1HG2 ILE 7 4.736 10.989 -20.917 47 2HG2 ILE 7 2HG2 ILE 7 4.831 9.450 -20.061 48 3HG2 ILE 7 3HG2 ILE 7 4.846 10.963 -19.156 49 1HD1 ILE 7 1HD1 ILE 7 1.230 8.212 -19.823 50 2HD1 ILE 7 2HD1 ILE 7 0.395 9.566 -19.059 51 3HD1 ILE 7 3HD1 ILE 7 0.971 8.215 -18.079 52 H GLU 8 H GLU 8 4.253 12.728 -21.252 53 HA GLU 8 HA GLU 8 2.706 14.171 -23.159 54 1HB GLU 8 1HB GLU 8 5.612 13.331 -23.211 55 2HB GLU 8 2HB GLU 8 4.863 14.418 -24.375 56 1HG GLU 8 1HG GLU 8 4.338 15.974 -22.537 57 2HG GLU 8 2HG GLU 8 5.173 14.896 -21.418 58 H ILE 9 H ILE 9 2.467 13.757 -25.364 59 HA ILE 9 HA ILE 9 1.608 11.176 -26.004 60 HB ILE 9 HB ILE 9 0.707 13.134 -27.116 61 1HG1 ILE 9 1HG1 ILE 9 2.150 11.341 -29.079 62 2HG1 ILE 9 2HG1 ILE 9 0.609 10.985 -28.312 63 1HG2 ILE 9 1HG2 ILE 9 1.976 14.411 -28.756 64 2HG2 ILE 9 2HG2 ILE 9 3.407 13.432 -28.429 65 3HG2 ILE 9 3HG2 ILE 9 2.751 14.483 -27.173 66 1HD1 ILE 9 1HD1 ILE 9 1.163 13.242 -30.218 67 2HD1 ILE 9 2HD1 ILE 9 -0.382 12.928 -29.427 68 3HD1 ILE 9 3HD1 ILE 9 0.275 11.760 -30.576 69 H GLU 10 H GLU 10 4.711 12.718 -26.433 70 HA GLU 10 HA GLU 10 5.728 10.944 -28.391 71 1HB GLU 10 1HB GLU 10 6.610 13.239 -27.871 72 2HB GLU 10 2HB GLU 10 7.322 12.568 -26.411 73 1HG GLU 10 1HG GLU 10 8.672 11.050 -27.762 74 2HG GLU 10 2HG GLU 10 7.954 11.719 -29.228 75 H ASP 11 H ASP 11 5.499 10.782 -24.919 76 HA ASP 11 HA ASP 11 7.475 8.701 -24.645 77 1HB ASP 11 1HB ASP 11 7.024 10.273 -22.797 78 2HB ASP 11 2HB ASP 11 5.385 9.644 -22.668 79 H MET 12 H MET 12 4.026 8.913 -25.054 80 HA MET 12 HA MET 12 3.255 6.289 -24.474 81 1HB MET 12 1HB MET 12 2.191 8.269 -26.494 82 2HB MET 12 2HB MET 12 1.419 6.725 -26.161 83 1HG MET 12 1HG MET 12 1.935 8.802 -24.051 84 2HG MET 12 2HG MET 12 0.444 8.714 -24.985 85 1HE MET 12 1HE MET 12 -0.975 5.216 -23.939 86 2HE MET 12 2HE MET 12 0.091 5.548 -25.306 87 3HE MET 12 3HE MET 12 -1.223 6.660 -24.922 88 H THR 13 H THR 13 3.504 4.391 -25.508 89 HA THR 13 HA THR 13 5.436 4.244 -27.606 90 HB THR 13 HB THR 13 3.699 2.000 -26.575 91 HG1 THR 13 HG1 THR 13 6.073 3.183 -25.536 92 1HG2 THR 13 1HG2 THR 13 4.977 1.503 -28.611 93 2HG2 THR 13 2HG2 THR 13 5.596 0.593 -27.233 94 3HG2 THR 13 3HG2 THR 13 6.460 2.019 -27.806 95 H PHE 14 H PHE 14 4.891 4.821 -29.598 96 HA PHE 14 HA PHE 14 2.183 4.479 -30.534 97 1HB PHE 14 1HB PHE 14 2.992 5.637 -32.577 98 2HB PHE 14 2HB PHE 14 3.262 6.555 -31.103 99 HD1 PHE 14 HD1 PHE 14 4.801 4.857 -33.915 100 HD2 PHE 14 HD2 PHE 14 5.528 6.815 -30.207 101 HE1 PHE 14 HE1 PHE 14 7.172 5.110 -34.521 102 HE2 PHE 14 HE2 PHE 14 7.900 7.071 -30.802 103 HZ PHE 14 HZ PHE 14 8.726 6.221 -32.963 104 H GLU 15 H GLU 15 1.462 2.968 -31.883 105 HA GLU 15 HA GLU 15 3.443 1.101 -32.990 106 1HB GLU 15 1HB GLU 15 1.918 0.061 -31.368 107 2HB GLU 15 2HB GLU 15 0.540 0.605 -32.312 108 1HG GLU 15 1HG GLU 15 0.948 -1.738 -32.708 109 2HG GLU 15 2HG GLU 15 1.263 -0.814 -34.174 110 HA PRO 16 HA PRO 16 2.057 3.327 -36.680 111 1HB PRO 16 1HB PRO 16 4.015 2.241 -38.280 112 2HB PRO 16 2HB PRO 16 4.236 3.686 -37.283 113 1HG PRO 16 1HG PRO 16 5.032 0.855 -36.725 114 2HG PRO 16 2HG PRO 16 5.925 2.354 -36.410 115 1HD PRO 16 1HD PRO 16 4.620 1.044 -34.460 116 2HD PRO 16 2HD PRO 16 4.720 2.817 -34.489 117 H GLU 17 H GLU 17 2.566 -0.064 -36.127 118 HA GLU 17 HA GLU 17 1.435 -1.031 -38.541 119 1HB GLU 17 1HB GLU 17 1.510 -2.437 -35.869 120 2HB GLU 17 2HB GLU 17 1.363 -3.184 -37.453 121 1HG GLU 17 1HG GLU 17 3.770 -1.763 -36.338 122 2HG GLU 17 2HG GLU 17 3.588 -3.493 -36.615 123 H ASN 18 H ASN 18 0.089 0.182 -35.586 124 HA ASN 18 HA ASN 18 -2.585 -0.728 -36.423 125 1HB ASN 18 1HB ASN 18 -1.508 -0.153 -33.661 126 2HB ASN 18 2HB ASN 18 -3.221 -0.355 -34.006 127 1HD2 ASN 18 1HD2 ASN 18 -1.454 -1.948 -32.319 128 2HD2 ASN 18 2HD2 ASN 18 -1.550 -3.561 -32.930 129 H GLN 19 H GLN 19 -0.639 1.875 -36.460 130 HA GLN 19 HA GLN 19 -0.912 4.108 -36.751 131 1HB GLN 19 1HB GLN 19 -3.751 3.271 -37.360 132 2HB GLN 19 2HB GLN 19 -3.137 4.896 -37.597 133 1HG GLN 19 1HG GLN 19 -3.038 3.997 -39.710 134 2HG GLN 19 2HG GLN 19 -1.391 3.781 -39.125 135 1HE2 GLN 19 1HE2 GLN 19 -0.577 1.750 -38.945 136 2HE2 GLN 19 2HE2 GLN 19 -1.452 0.320 -39.375 137 H MET 20 H MET 20 -0.964 3.355 -34.050 138 HA MET 20 HA MET 20 -2.464 5.547 -32.958 139 1HB MET 20 1HB MET 20 -3.863 4.280 -31.420 140 2HB MET 20 2HB MET 20 -4.249 3.873 -33.087 141 1HG MET 20 1HG MET 20 -2.940 1.824 -32.890 142 2HG MET 20 2HG MET 20 -2.551 2.236 -31.220 143 1HE MET 20 1HE MET 20 -3.492 -0.049 -30.245 144 2HE MET 20 2HE MET 20 -3.694 -0.524 -31.931 145 3HE MET 20 3HE MET 20 -5.017 -0.752 -30.784 146 H PHE 21 H PHE 21 -2.312 5.513 -30.479 147 HA PHE 21 HA PHE 21 0.430 4.742 -29.767 148 1HB PHE 21 1HB PHE 21 -1.424 6.787 -28.522 149 2HB PHE 21 2HB PHE 21 0.199 6.419 -27.947 150 HD1 PHE 21 HD1 PHE 21 2.139 7.226 -29.099 151 HD2 PHE 21 HD2 PHE 21 -1.768 7.973 -30.627 152 HE1 PHE 21 HE1 PHE 21 3.064 8.907 -30.638 153 HE2 PHE 21 HE2 PHE 21 -0.844 9.654 -32.169 154 HZ PHE 21 HZ PHE 21 1.573 10.122 -32.175 155 H THR 22 H THR 22 0.828 3.425 -28.065 156 HA THR 22 HA THR 22 -1.422 2.579 -26.382 157 HB THR 22 HB THR 22 -0.572 0.202 -26.540 158 HG1 THR 22 HG1 THR 22 1.232 1.453 -28.158 159 1HG2 THR 22 1HG2 THR 22 -1.692 -0.257 -28.694 160 2HG2 THR 22 2HG2 THR 22 -1.653 1.467 -29.065 161 3HG2 THR 22 3HG2 THR 22 -2.605 0.879 -27.699 162 H TYR 23 H TYR 23 -0.628 1.318 -24.465 163 HA TYR 23 HA TYR 23 2.147 1.893 -23.755 164 1HB TYR 23 1HB TYR 23 0.128 3.486 -22.808 165 2HB TYR 23 2HB TYR 23 0.240 2.265 -21.542 166 HD1 TYR 23 HD1 TYR 23 2.624 4.246 -23.637 167 HD2 TYR 23 HD2 TYR 23 1.574 2.853 -19.757 168 HE1 TYR 23 HE1 TYR 23 4.554 5.442 -22.698 169 HE2 TYR 23 HE2 TYR 23 3.504 4.045 -18.801 170 HH TYR 23 HH TYR 23 5.332 6.346 -20.622 171 HA PRO 24 HA PRO 24 1.887 -2.445 -22.926 172 1HB PRO 24 1HB PRO 24 4.277 -1.862 -21.262 173 2HB PRO 24 2HB PRO 24 4.071 -3.036 -22.566 174 1HG PRO 24 1HG PRO 24 5.457 -0.780 -22.933 175 2HG PRO 24 2HG PRO 24 4.454 -1.470 -24.220 176 1HD PRO 24 1HD PRO 24 3.932 0.889 -22.471 177 2HD PRO 24 2HD PRO 24 3.481 0.615 -24.162 178 H CYS 25 H CYS 25 0.525 -3.290 -21.557 179 HA CYS 25 HA CYS 25 0.976 -3.042 -18.700 180 1HB CYS 25 1HB CYS 25 -0.672 -1.331 -19.027 181 2HB CYS 25 2HB CYS 25 -1.619 -2.361 -20.090 182 HA PRO 26 HA PRO 26 -0.169 -7.329 -19.317 183 1HB PRO 26 1HB PRO 26 0.675 -7.919 -16.655 184 2HB PRO 26 2HB PRO 26 1.554 -8.223 -18.152 185 1HG PRO 26 1HG PRO 26 2.320 -6.412 -16.195 186 2HG PRO 26 2HG PRO 26 2.874 -6.388 -17.878 187 1HD PRO 26 1HD PRO 26 0.736 -4.763 -16.557 188 2HD PRO 26 2HD PRO 26 1.916 -4.283 -17.799 189 H CYS 27 H CYS 27 -2.216 -7.867 -19.177 190 HA CYS 27 HA CYS 27 -3.648 -8.271 -16.789 191 1HB CYS 27 1HB CYS 27 -5.336 -6.500 -16.968 192 2HB CYS 27 2HB CYS 27 -3.740 -5.780 -16.784 193 H GLY 28 H GLY 28 -3.839 -7.341 -20.142 194 1HA GLY 28 1HA GLY 28 -4.673 -9.732 -21.222 195 2HA GLY 28 2HA GLY 28 -6.149 -8.860 -20.807 196 H ASP 29 H ASP 29 -4.911 -6.250 -21.211 197 HA ASP 29 HA ASP 29 -4.271 -6.223 -24.057 198 1HB ASP 29 1HB ASP 29 -6.843 -5.872 -23.462 199 2HB ASP 29 2HB ASP 29 -6.289 -4.230 -23.138 200 H ARG 30 H ARG 30 -3.910 -3.730 -24.642 201 HA ARG 30 HA ARG 30 -2.132 -2.688 -22.523 202 1HB ARG 30 1HB ARG 30 -0.872 -1.647 -24.404 203 2HB ARG 30 2HB ARG 30 -0.887 -3.408 -24.465 204 1HG ARG 30 1HG ARG 30 -3.105 -2.681 -25.939 205 2HG ARG 30 2HG ARG 30 -1.893 -1.472 -26.369 206 1HD ARG 30 1HD ARG 30 -1.845 -3.446 -27.845 207 2HD ARG 30 2HD ARG 30 -0.330 -3.197 -26.981 208 HE ARG 30 HE ARG 30 -0.903 -5.040 -25.559 209 1HH1 ARG 30 1HH1 ARG 30 -3.082 -4.624 -28.272 210 2HH1 ARG 30 2HH1 ARG 30 -3.505 -6.305 -28.343 211 1HH2 ARG 30 1HH2 ARG 30 -1.503 -7.246 -25.634 212 2HH2 ARG 30 2HH2 ARG 30 -2.615 -7.793 -26.854 213 H PHE 31 H PHE 31 -2.089 -0.414 -22.181 214 HA PHE 31 HA PHE 31 -4.414 1.069 -22.389 215 1HB PHE 31 1HB PHE 31 -1.533 1.982 -22.293 216 2HB PHE 31 2HB PHE 31 -2.883 3.107 -22.249 217 HD1 PHE 31 HD1 PHE 31 -1.054 0.526 -20.406 218 HD2 PHE 31 HD2 PHE 31 -4.250 3.332 -20.296 219 HE1 PHE 31 HE1 PHE 31 -1.160 0.302 -17.961 220 HE2 PHE 31 HE2 PHE 31 -4.366 3.108 -17.849 221 HZ PHE 31 HZ PHE 31 -2.818 1.595 -16.679 222 H GLN 32 H GLN 32 -5.444 1.995 -24.060 223 HA GLN 32 HA GLN 32 -3.903 2.520 -26.504 224 1HB GLN 32 1HB GLN 32 -5.769 1.536 -27.830 225 2HB GLN 32 2HB GLN 32 -4.915 0.370 -26.833 226 1HG GLN 32 1HG GLN 32 -6.712 0.550 -25.151 227 2HG GLN 32 2HG GLN 32 -7.593 1.601 -26.260 228 1HE2 GLN 32 1HE2 GLN 32 -6.370 -1.615 -25.723 229 2HE2 GLN 32 2HE2 GLN 32 -7.399 -2.407 -26.863 230 H ILE 33 H ILE 33 -4.602 4.189 -27.766 231 HA ILE 33 HA ILE 33 -7.046 5.595 -27.015 232 HB ILE 33 HB ILE 33 -5.340 6.735 -25.722 233 1HG1 ILE 33 1HG1 ILE 33 -6.114 8.368 -28.150 234 2HG1 ILE 33 2HG1 ILE 33 -7.148 8.061 -26.757 235 1HG2 ILE 33 1HG2 ILE 33 -3.890 7.176 -28.326 236 2HG2 ILE 33 2HG2 ILE 33 -3.389 6.088 -27.035 237 3HG2 ILE 33 3HG2 ILE 33 -3.424 7.828 -26.754 238 1HD1 ILE 33 1HD1 ILE 33 -6.128 10.273 -26.682 239 2HD1 ILE 33 2HD1 ILE 33 -4.526 9.533 -26.691 240 3HD1 ILE 33 3HD1 ILE 33 -5.614 9.266 -25.329 241 H TYR 34 H TYR 34 -8.098 6.433 -28.741 242 HA TYR 34 HA TYR 34 -6.938 5.892 -31.354 243 1HB TYR 34 1HB TYR 34 -9.740 6.628 -30.510 244 2HB TYR 34 2HB TYR 34 -9.248 6.442 -32.188 245 HD1 TYR 34 HD1 TYR 34 -8.408 4.192 -32.962 246 HD2 TYR 34 HD2 TYR 34 -10.302 4.755 -29.193 247 HE1 TYR 34 HE1 TYR 34 -8.852 1.779 -32.832 248 HE2 TYR 34 HE2 TYR 34 -10.750 2.341 -29.051 249 HH TYR 34 HH TYR 34 -11.017 0.434 -30.631 250 H LEU 35 H LEU 35 -6.509 7.385 -32.870 251 HA LEU 35 HA LEU 35 -5.840 9.985 -31.983 252 1HB LEU 35 1HB LEU 35 -5.735 8.525 -34.567 253 2HB LEU 35 2HB LEU 35 -5.529 10.270 -34.572 254 HG LEU 35 HG LEU 35 -3.910 8.855 -32.576 255 1HD1 LEU 35 1HD1 LEU 35 -3.389 8.536 -35.519 256 2HD1 LEU 35 2HD1 LEU 35 -3.791 7.254 -34.375 257 3HD1 LEU 35 3HD1 LEU 35 -2.265 8.127 -34.224 258 1HD2 LEU 35 1HD2 LEU 35 -3.319 10.928 -34.675 259 2HD2 LEU 35 2HD2 LEU 35 -2.267 10.464 -33.335 260 3HD2 LEU 35 3HD2 LEU 35 -3.812 11.255 -33.014 261 H ASP 36 H ASP 36 -8.581 8.684 -33.633 262 HA ASP 36 HA ASP 36 -9.839 10.940 -34.595 263 1HB ASP 36 1HB ASP 36 -11.163 8.665 -33.092 264 2HB ASP 36 2HB ASP 36 -11.930 9.747 -34.240 265 H ASP 37 H ASP 37 -9.857 9.607 -31.321 266 HA ASP 37 HA ASP 37 -11.343 11.710 -30.142 267 1HB ASP 37 1HB ASP 37 -9.444 9.673 -28.966 268 2HB ASP 37 2HB ASP 37 -10.336 10.827 -27.985 269 H MET 38 H MET 38 -7.881 11.070 -30.480 270 HA MET 38 HA MET 38 -6.952 13.163 -28.859 271 1HB MET 38 1HB MET 38 -5.534 12.112 -31.307 272 2HB MET 38 2HB MET 38 -4.805 12.873 -29.903 273 1HG MET 38 1HG MET 38 -5.811 10.856 -28.611 274 2HG MET 38 2HG MET 38 -5.910 10.118 -30.219 275 1HE MET 38 1HE MET 38 -3.186 12.618 -28.807 276 2HE MET 38 2HE MET 38 -1.973 11.472 -28.231 277 3HE MET 38 3HE MET 38 -3.550 11.552 -27.449 278 H PHE 39 H PHE 39 -7.594 13.054 -32.342 279 HA PHE 39 HA PHE 39 -6.686 15.697 -32.874 280 1HB PHE 39 1HB PHE 39 -6.903 13.802 -34.543 281 2HB PHE 39 2HB PHE 39 -8.640 14.083 -34.526 282 HD1 PHE 39 HD1 PHE 39 -9.569 15.601 -35.998 283 HD2 PHE 39 HD2 PHE 39 -5.408 15.811 -35.151 284 HE1 PHE 39 HE1 PHE 39 -9.303 17.310 -37.749 285 HE2 PHE 39 HE2 PHE 39 -5.132 17.522 -36.894 286 HZ PHE 39 HZ PHE 39 -7.081 18.272 -38.196 287 H GLU 40 H GLU 40 -9.649 14.379 -31.692 288 HA GLU 40 HA GLU 40 -11.279 16.671 -32.244 289 1HB GLU 40 1HB GLU 40 -12.233 14.419 -31.905 290 2HB GLU 40 2HB GLU 40 -11.655 14.428 -30.249 291 1HG GLU 40 1HG GLU 40 -13.127 16.222 -29.679 292 2HG GLU 40 2HG GLU 40 -13.617 16.408 -31.361 293 H GLY 41 H GLY 41 -8.910 15.851 -29.923 294 1HA GLY 41 1HA GLY 41 -8.010 17.584 -28.498 295 2HA GLY 41 2HA GLY 41 -9.646 18.204 -28.309 296 H GLU 42 H GLU 42 -10.085 15.006 -28.184 297 HA GLU 42 HA GLU 42 -10.117 14.925 -25.286 298 1HB GLU 42 1HB GLU 42 -11.952 13.940 -26.660 299 2HB GLU 42 2HB GLU 42 -10.809 12.769 -27.299 300 1HG GLU 42 1HG GLU 42 -12.017 11.664 -25.615 301 2HG GLU 42 2HG GLU 42 -10.433 12.013 -24.928 302 H LYS 43 H LYS 43 -8.370 14.253 -24.121 303 HA LYS 43 HA LYS 43 -6.470 12.510 -25.509 304 1HB LYS 43 1HB LYS 43 -4.578 13.745 -24.628 305 2HB LYS 43 2HB LYS 43 -5.598 14.787 -25.600 306 1HG LYS 43 1HG LYS 43 -5.743 14.718 -22.599 307 2HG LYS 43 2HG LYS 43 -4.640 15.772 -23.479 308 1HD LYS 43 1HD LYS 43 -6.531 16.841 -24.586 309 2HD LYS 43 2HD LYS 43 -7.646 15.762 -23.747 310 1HE LYS 43 1HE LYS 43 -6.670 16.652 -21.592 311 2HE LYS 43 2HE LYS 43 -5.879 17.885 -22.571 312 1HZ LYS 43 1HZ LYS 43 -7.918 18.752 -21.711 313 2HZ LYS 43 2HZ LYS 43 -8.799 17.434 -22.311 314 3HZ LYS 43 3HZ LYS 43 -8.101 18.542 -23.384 315 H VAL 44 H VAL 44 -6.880 10.684 -24.501 316 HA VAL 44 HA VAL 44 -5.763 10.254 -21.936 317 HB VAL 44 HB VAL 44 -7.782 11.140 -21.013 318 1HG1 VAL 44 1HG1 VAL 44 -10.005 10.336 -21.614 319 2HG1 VAL 44 2HG1 VAL 44 -9.295 9.287 -22.843 320 3HG1 VAL 44 3HG1 VAL 44 -9.172 11.038 -23.002 321 1HG2 VAL 44 1HG2 VAL 44 -7.916 8.129 -20.992 322 2HG2 VAL 44 2HG2 VAL 44 -8.765 9.190 -19.868 323 3HG2 VAL 44 3HG2 VAL 44 -7.003 9.151 -19.884 324 H ALA 45 H ALA 45 -5.086 8.189 -21.821 325 HA ALA 45 HA ALA 45 -6.043 6.376 -23.926 326 1HB ALA 45 1HB ALA 45 -3.643 6.778 -23.942 327 2HB ALA 45 2HB ALA 45 -3.986 5.098 -23.531 328 3HB ALA 45 3HB ALA 45 -3.527 6.238 -22.266 329 H VAL 46 H VAL 46 -6.934 4.434 -23.452 330 HA VAL 46 HA VAL 46 -7.359 3.851 -20.597 331 HB VAL 46 HB VAL 46 -9.434 4.604 -21.553 332 1HG1 VAL 46 1HG1 VAL 46 -9.034 4.218 -23.895 333 2HG1 VAL 46 2HG1 VAL 46 -10.533 3.418 -23.411 334 3HG1 VAL 46 3HG1 VAL 46 -9.061 2.472 -23.638 335 1HG2 VAL 46 1HG2 VAL 46 -10.877 2.676 -21.116 336 2HG2 VAL 46 2HG2 VAL 46 -9.593 2.821 -19.918 337 3HG2 VAL 46 3HG2 VAL 46 -9.467 1.618 -21.202 338 H CYS 47 H CYS 47 -6.965 1.815 -19.923 339 HA CYS 47 HA CYS 47 -6.190 -0.094 -21.987 340 1HB CYS 47 1HB CYS 47 -4.603 0.486 -20.056 341 2HB CYS 47 2HB CYS 47 -5.720 -0.391 -19.017 342 HA PRO 48 HA PRO 48 -9.972 -2.202 -20.894 343 1HB PRO 48 1HB PRO 48 -9.796 -4.078 -22.866 344 2HB PRO 48 2HB PRO 48 -10.425 -2.449 -23.116 345 1HG PRO 48 1HG PRO 48 -7.869 -3.622 -23.954 346 2HG PRO 48 2HG PRO 48 -8.738 -2.230 -24.612 347 1HD PRO 48 1HD PRO 48 -6.479 -2.200 -22.896 348 2HD PRO 48 2HD PRO 48 -7.444 -0.812 -23.426 349 H SER 49 H SER 49 -10.526 -4.234 -20.074 350 HA SER 49 HA SER 49 -10.261 -6.324 -19.183 351 1HB SER 49 1HB SER 49 -8.430 -6.854 -20.784 352 2HB SER 49 2HB SER 49 -7.282 -6.099 -19.681 353 HG SER 49 HG SER 49 -7.677 -7.683 -18.187 354 H CYS 50 H CYS 50 -7.486 -4.216 -18.272 355 HA CYS 50 HA CYS 50 -8.142 -4.745 -15.472 356 1HB CYS 50 1HB CYS 50 -6.167 -3.493 -14.900 357 2HB CYS 50 2HB CYS 50 -5.758 -4.592 -16.213 358 H SER 51 H SER 51 -8.384 -2.255 -17.870 359 HA SER 51 HA SER 51 -9.738 -0.472 -18.084 360 1HB SER 51 1HB SER 51 -11.033 -1.383 -15.508 361 2HB SER 51 2HB SER 51 -11.702 -0.227 -16.663 362 HG SER 51 HG SER 51 -10.950 -2.714 -17.657 363 H LEU 52 H LEU 52 -7.642 0.592 -17.668 364 HA LEU 52 HA LEU 52 -7.990 2.470 -15.445 365 1HB LEU 52 1HB LEU 52 -6.157 0.861 -14.950 366 2HB LEU 52 2HB LEU 52 -5.348 1.379 -16.415 367 HG LEU 52 HG LEU 52 -5.119 3.649 -15.485 368 1HD1 LEU 52 1HD1 LEU 52 -7.066 3.671 -14.028 369 2HD1 LEU 52 2HD1 LEU 52 -5.605 4.039 -13.112 370 3HD1 LEU 52 3HD1 LEU 52 -6.333 2.437 -13.003 371 1HD2 LEU 52 1HD2 LEU 52 -3.421 3.112 -13.822 372 2HD2 LEU 52 2HD2 LEU 52 -3.330 2.008 -15.192 373 3HD2 LEU 52 3HD2 LEU 52 -4.063 1.476 -13.679 374 H MET 53 H MET 53 -7.224 4.590 -15.900 375 HA MET 53 HA MET 53 -6.770 5.171 -18.742 376 1HB MET 53 1HB MET 53 -8.802 6.558 -16.984 377 2HB MET 53 2HB MET 53 -8.401 7.010 -18.636 378 1HG MET 53 1HG MET 53 -9.367 5.070 -19.518 379 2HG MET 53 2HG MET 53 -9.423 4.286 -17.942 380 1HE MET 53 1HE MET 53 -11.072 5.054 -15.982 381 2HE MET 53 2HE MET 53 -12.224 6.381 -16.142 382 3HE MET 53 3HE MET 53 -10.492 6.712 -16.137 383 H ILE 54 H ILE 54 -5.452 6.869 -19.154 384 HA ILE 54 HA ILE 54 -4.797 8.724 -16.995 385 HB ILE 54 HB ILE 54 -2.464 8.561 -17.147 386 1HG1 ILE 54 1HG1 ILE 54 -2.262 8.407 -19.597 387 2HG1 ILE 54 2HG1 ILE 54 -1.216 7.255 -18.780 388 1HG2 ILE 54 1HG2 ILE 54 -3.565 5.764 -17.238 389 2HG2 ILE 54 2HG2 ILE 54 -3.320 6.779 -15.816 390 3HG2 ILE 54 3HG2 ILE 54 -1.930 6.178 -16.721 391 1HD1 ILE 54 1HD1 ILE 54 -2.824 5.478 -19.262 392 2HD1 ILE 54 2HD1 ILE 54 -2.233 6.265 -20.725 393 3HD1 ILE 54 3HD1 ILE 54 -3.842 6.646 -20.109 394 H ASP 55 H ASP 55 -4.078 10.756 -17.730 395 HA ASP 55 HA ASP 55 -5.124 11.502 -20.297 396 1HB ASP 55 1HB ASP 55 -3.702 12.969 -18.094 397 2HB ASP 55 2HB ASP 55 -4.009 13.750 -19.639 398 H VAL 56 H VAL 56 -3.923 12.547 -21.988 399 HA VAL 56 HA VAL 56 -1.034 12.044 -21.951 400 HB VAL 56 HB VAL 56 -1.984 10.248 -23.267 401 1HG1 VAL 56 1HG1 VAL 56 -4.091 11.277 -23.906 402 2HG1 VAL 56 2HG1 VAL 56 -3.240 10.651 -25.319 403 3HG1 VAL 56 3HG1 VAL 56 -3.238 12.382 -24.982 404 1HG2 VAL 56 1HG2 VAL 56 0.155 11.112 -23.998 405 2HG2 VAL 56 2HG2 VAL 56 -0.649 12.317 -25.004 406 3HG2 VAL 56 3HG2 VAL 56 -0.802 10.603 -25.389 407 H VAL 57 H VAL 57 0.158 13.746 -22.492 408 HA VAL 57 HA VAL 57 -1.156 16.183 -23.343 409 HB VAL 57 HB VAL 57 1.782 15.694 -22.825 410 1HG1 VAL 57 1HG1 VAL 57 1.912 18.129 -22.567 411 2HG1 VAL 57 2HG1 VAL 57 0.208 18.262 -23.003 412 3HG1 VAL 57 3HG1 VAL 57 1.378 17.672 -24.184 413 1HG2 VAL 57 1HG2 VAL 57 0.507 15.211 -20.826 414 2HG2 VAL 57 2HG2 VAL 57 -0.370 16.732 -20.982 415 3HG2 VAL 57 3HG2 VAL 57 1.358 16.743 -20.627 416 H PHE 58 H PHE 58 -1.634 16.332 -25.452 417 HA PHE 58 HA PHE 58 0.345 15.346 -27.401 418 1HB PHE 58 1HB PHE 58 -1.428 14.846 -28.908 419 2HB PHE 58 2HB PHE 58 -1.952 14.232 -27.344 420 HD1 PHE 58 HD1 PHE 58 -3.542 15.689 -25.975 421 HD2 PHE 58 HD2 PHE 58 -2.742 16.348 -30.100 422 HE1 PHE 58 HE1 PHE 58 -5.610 17.004 -26.162 423 HE2 PHE 58 HE2 PHE 58 -4.811 17.665 -30.295 424 HZ PHE 58 HZ PHE 58 -6.247 17.993 -28.326 425 H ASP 59 H ASP 59 0.391 16.540 -29.466 426 HA ASP 59 HA ASP 59 -0.582 19.306 -29.305 427 1HB ASP 59 1HB ASP 59 2.001 18.948 -28.910 428 2HB ASP 59 2HB ASP 59 2.031 18.719 -30.650 429 H LYS 60 H LYS 60 -0.814 20.282 -31.454 430 HA LYS 60 HA LYS 60 -2.091 18.522 -33.269 431 1HB LYS 60 1HB LYS 60 -1.144 21.364 -33.662 432 2HB LYS 60 2HB LYS 60 -2.185 20.495 -34.773 433 1HG LYS 60 1HG LYS 60 -3.719 21.723 -33.595 434 2HG LYS 60 2HG LYS 60 -3.715 20.219 -32.676 435 1HD LYS 60 1HD LYS 60 -2.067 21.239 -31.119 436 2HD LYS 60 2HD LYS 60 -2.246 22.760 -31.994 437 1HE LYS 60 1HE LYS 60 -4.662 22.728 -31.466 438 2HE LYS 60 2HE LYS 60 -4.404 21.269 -30.509 439 1HZ LYS 60 1HZ LYS 60 -2.731 22.630 -29.222 440 2HZ LYS 60 2HZ LYS 60 -4.364 23.029 -28.992 441 3HZ LYS 60 3HZ LYS 60 -3.386 24.001 -29.983 442 H GLU 61 H GLU 61 1.090 19.993 -33.122 443 HA GLU 61 HA GLU 61 1.873 19.146 -35.741 444 1HB GLU 61 1HB GLU 61 4.184 19.798 -34.946 445 2HB GLU 61 2HB GLU 61 2.972 21.066 -34.937 446 1HG GLU 61 1HG GLU 61 2.665 20.664 -32.501 447 2HG GLU 61 2HG GLU 61 4.020 19.538 -32.568 448 H ASP 62 H ASP 62 2.316 17.870 -32.484 449 HA ASP 62 HA ASP 62 4.018 15.736 -33.143 450 1HB ASP 62 1HB ASP 62 2.016 16.126 -30.922 451 2HB ASP 62 2HB ASP 62 2.958 14.646 -31.069 452 H LEU 63 H LEU 63 0.507 16.050 -33.205 453 HA LEU 63 HA LEU 63 -0.093 13.373 -33.843 454 1HB LEU 63 1HB LEU 63 -1.582 15.903 -34.565 455 2HB LEU 63 2HB LEU 63 -2.229 14.282 -34.725 456 HG LEU 63 HG LEU 63 -1.488 15.657 -32.138 457 1HD1 LEU 63 1HD1 LEU 63 -3.899 15.550 -31.702 458 2HD1 LEU 63 2HD1 LEU 63 -4.155 14.883 -33.315 459 3HD1 LEU 63 3HD1 LEU 63 -3.529 16.521 -33.127 460 1HD2 LEU 63 1HD2 LEU 63 -1.025 13.298 -31.959 461 2HD2 LEU 63 2HD2 LEU 63 -2.595 12.902 -32.659 462 3HD2 LEU 63 3HD2 LEU 63 -2.506 13.672 -31.075 463 H ALA 64 H ALA 64 0.281 16.232 -35.937 464 HA ALA 64 HA ALA 64 -0.214 15.053 -38.392 465 1HB ALA 64 1HB ALA 64 0.006 17.475 -38.005 466 2HB ALA 64 2HB ALA 64 0.964 16.922 -39.379 467 3HB ALA 64 3HB ALA 64 1.753 17.275 -37.843 468 H GLU 65 H GLU 65 2.839 15.288 -36.635 469 HA GLU 65 HA GLU 65 4.545 14.218 -38.574 470 1HB GLU 65 1HB GLU 65 5.222 15.357 -36.452 471 2HB GLU 65 2HB GLU 65 4.739 13.916 -35.569 472 1HG GLU 65 1HG GLU 65 7.112 13.897 -35.843 473 2HG GLU 65 2HG GLU 65 6.409 12.621 -36.833 474 H TYR 66 H TYR 66 2.760 12.607 -35.948 475 HA TYR 66 HA TYR 66 3.751 10.027 -36.526 476 1HB TYR 66 1HB TYR 66 2.804 10.544 -34.337 477 2HB TYR 66 2HB TYR 66 1.220 10.815 -35.068 478 HD1 TYR 66 HD1 TYR 66 -0.300 9.068 -35.052 479 HD2 TYR 66 HD2 TYR 66 3.859 8.180 -34.872 480 HE1 TYR 66 HE1 TYR 66 -0.824 6.674 -34.830 481 HE2 TYR 66 HE2 TYR 66 3.344 5.792 -34.645 482 HH TYR 66 HH TYR 66 1.435 4.387 -33.861 483 H TYR 67 H TYR 67 0.905 11.797 -37.650 484 HA TYR 67 HA TYR 67 -0.483 9.746 -38.881 485 1HB TYR 67 1HB TYR 67 -0.209 12.669 -39.468 486 2HB TYR 67 2HB TYR 67 -1.074 11.639 -40.597 487 HD1 TYR 67 HD1 TYR 67 -2.939 10.126 -39.530 488 HD2 TYR 67 HD2 TYR 67 -1.376 13.640 -37.719 489 HE1 TYR 67 HE1 TYR 67 -4.978 10.325 -38.173 490 HE2 TYR 67 HE2 TYR 67 -3.410 13.848 -36.351 491 HH TYR 67 HH TYR 67 -5.760 13.120 -36.414 492 H GLU 68 H GLU 68 2.227 11.652 -40.142 493 HA GLU 68 HA GLU 68 2.210 10.340 -42.675 494 1HB GLU 68 1HB GLU 68 3.177 12.619 -42.263 495 2HB GLU 68 2HB GLU 68 4.502 11.845 -41.399 496 1HG GLU 68 1HG GLU 68 5.015 10.557 -43.461 497 2HG GLU 68 2HG GLU 68 3.783 11.494 -44.301 498 H GLU 69 H GLU 69 3.986 9.906 -39.656 499 HA GLU 69 HA GLU 69 5.872 8.037 -40.587 500 1HB GLU 69 1HB GLU 69 4.816 8.760 -37.884 501 2HB GLU 69 2HB GLU 69 5.869 7.361 -38.063 502 1HG GLU 69 1HG GLU 69 6.545 10.168 -38.926 503 2HG GLU 69 2HG GLU 69 7.094 9.394 -37.438 504 H ALA 70 H ALA 70 2.609 7.608 -39.325 505 HA ALA 70 HA ALA 70 2.904 4.721 -39.301 506 1HB ALA 70 1HB ALA 70 0.606 4.697 -38.475 507 2HB ALA 70 2HB ALA 70 0.482 6.434 -38.753 508 3HB ALA 70 3HB ALA 70 1.607 5.811 -37.544 509 H GLY 71 H GLY 71 1.948 7.122 -41.523 510 1HA GLY 71 1HA GLY 71 1.453 6.795 -43.784 511 2HA GLY 71 2HA GLY 71 1.219 5.083 -43.458 512 H ILE 72 H ILE 72 -0.285 7.768 -41.767 513 HA ILE 72 HA ILE 72 -2.917 6.667 -42.415 514 HB ILE 72 HB ILE 72 -2.554 9.021 -40.594 515 1HG1 ILE 72 1HG1 ILE 72 -1.944 6.156 -39.817 516 2HG1 ILE 72 2HG1 ILE 72 -0.770 7.463 -39.913 517 1HG2 ILE 72 1HG2 ILE 72 -4.796 8.171 -41.091 518 2HG2 ILE 72 2HG2 ILE 72 -4.394 7.949 -39.389 519 3HG2 ILE 72 3HG2 ILE 72 -4.325 6.579 -40.496 520 1HD1 ILE 72 1HD1 ILE 72 -1.859 8.615 -38.087 521 2HD1 ILE 72 2HD1 ILE 72 -1.435 6.969 -37.611 522 3HD1 ILE 72 3HD1 ILE 72 -3.104 7.368 -38.019 523 H HIS 73 H HIS 73 -4.591 8.747 -42.448 524 HA HIS 73 HA HIS 73 -3.888 10.149 -44.865 525 1HB HIS 73 1HB HIS 73 -6.348 10.309 -43.108 526 2HB HIS 73 2HB HIS 73 -6.147 11.204 -44.610 527 HD1 HIS 73 HD1 HIS 73 -6.758 10.011 -46.746 528 HD2 HIS 73 HD2 HIS 73 -6.483 7.445 -43.479 529 HE1 HIS 73 HE1 HIS 73 -7.621 7.786 -47.547 530 HE2 HIS 73 HE2 HIS 73 -7.620 6.313 -45.504 531 HA PRO 74 HA PRO 74 -1.970 13.632 -42.973 532 1HB PRO 74 1HB PRO 74 -2.519 15.474 -44.950 533 2HB PRO 74 2HB PRO 74 -1.185 14.321 -44.999 534 1HG PRO 74 1HG PRO 74 -3.874 14.168 -46.295 535 2HG PRO 74 2HG PRO 74 -2.287 13.700 -46.938 536 1HD PRO 74 1HD PRO 74 -4.031 11.872 -46.018 537 2HD PRO 74 2HD PRO 74 -2.278 11.686 -45.788 538 HA PRO 75 HA PRO 75 -5.443 15.654 -41.030 539 1HB PRO 75 1HB PRO 75 -4.012 17.164 -39.307 540 2HB PRO 75 2HB PRO 75 -4.238 15.426 -39.079 541 1HG PRO 75 1HG PRO 75 -1.889 16.901 -40.196 542 2HG PRO 75 2HG PRO 75 -1.922 15.524 -39.077 543 1HD PRO 75 1HD PRO 75 -1.435 15.270 -41.750 544 2HD PRO 75 2HD PRO 75 -2.185 13.997 -40.768 545 H GLU 76 H GLU 76 -6.212 17.866 -40.713 546 HA GLU 76 HA GLU 76 -5.657 19.502 -42.986 547 1HB GLU 76 1HB GLU 76 -7.338 21.034 -41.965 548 2HB GLU 76 2HB GLU 76 -7.919 19.383 -42.140 549 1HG GLU 76 1HG GLU 76 -7.508 18.967 -39.785 550 2HG GLU 76 2HG GLU 76 -6.866 20.598 -39.595 551 HA PRO 77 HA PRO 77 -2.561 22.261 -41.572 552 1HB PRO 77 1HB PRO 77 -3.687 24.743 -42.063 553 2HB PRO 77 2HB PRO 77 -2.846 23.750 -43.257 554 1HG PRO 77 1HG PRO 77 -5.778 24.058 -42.774 555 2HG PRO 77 2HG PRO 77 -4.899 23.902 -44.308 556 1HD PRO 77 1HD PRO 77 -6.244 21.840 -43.241 557 2HD PRO 77 2HD PRO 77 -4.712 21.599 -44.107 558 H ILE 78 H ILE 78 -1.903 23.272 -39.787 559 HA ILE 78 HA ILE 78 -3.949 23.988 -37.786 560 HB ILE 78 HB ILE 78 -2.279 23.431 -36.057 561 1HG1 ILE 78 1HG1 ILE 78 -0.631 22.386 -38.377 562 2HG1 ILE 78 2HG1 ILE 78 -0.261 23.828 -37.441 563 1HG2 ILE 78 1HG2 ILE 78 -3.897 21.748 -36.672 564 2HG2 ILE 78 2HG2 ILE 78 -2.346 20.973 -36.349 565 3HG2 ILE 78 3HG2 ILE 78 -2.882 21.213 -38.011 566 1HD1 ILE 78 1HD1 ILE 78 -0.319 21.003 -36.404 567 2HD1 ILE 78 2HD1 ILE 78 0.021 22.440 -35.440 568 3HD1 ILE 78 3HD1 ILE 78 1.119 21.970 -36.740 569 H ALA 79 H ALA 79 -2.923 25.536 -36.066 570 HA ALA 79 HA ALA 79 -1.711 27.733 -37.553 571 1HB ALA 79 1HB ALA 79 -3.696 28.251 -36.234 572 2HB ALA 79 2HB ALA 79 -2.291 29.124 -35.622 573 3HB ALA 79 3HB ALA 79 -2.878 27.694 -34.774 574 H ALA 80 H ALA 80 -0.834 25.223 -35.627 575 HA ALA 80 HA ALA 80 1.019 24.573 -34.489 576 1HB ALA 80 1HB ALA 80 2.024 25.029 -36.675 577 2HB ALA 80 2HB ALA 80 3.152 25.361 -35.359 578 3HB ALA 80 3HB ALA 80 2.339 26.692 -36.182 579 H ALA 81 H ALA 81 3.268 25.965 -33.588 580 HA ALA 81 HA ALA 81 2.084 27.918 -31.720 581 1HB ALA 81 1HB ALA 81 3.813 27.307 -30.135 582 2HB ALA 81 2HB ALA 81 4.541 26.212 -31.312 583 3HB ALA 81 3HB ALA 81 2.942 25.862 -30.654 584 H ALA 82 H ALA 82 4.912 27.132 -33.676 585 HA ALA 82 HA ALA 82 5.726 29.953 -33.541 586 1HB ALA 82 1HB ALA 82 7.453 28.366 -32.865 587 2HB ALA 82 2HB ALA 82 7.911 29.195 -34.354 588 3HB ALA 82 3HB ALA 82 7.310 27.536 -34.418 Start of MODEL 14 1 1H MET 1 1H MET 1 -12.365 6.592 -10.618 2 HA MET 1 HA MET 1 -13.088 6.131 -13.446 3 1HB MET 1 1HB MET 1 -14.543 7.703 -11.311 4 2HB MET 1 2HB MET 1 -14.961 7.754 -13.016 5 1HG MET 1 1HG MET 1 -14.880 5.133 -11.584 6 2HG MET 1 2HG MET 1 -16.266 6.200 -11.390 7 1HE MET 1 1HE MET 1 -14.996 4.199 -15.366 8 2HE MET 1 2HE MET 1 -14.275 3.840 -13.795 9 3HE MET 1 3HE MET 1 -13.979 5.397 -14.565 10 H SER 2 H SER 2 -10.977 7.690 -11.563 11 HA SER 2 HA SER 2 -10.987 10.187 -13.110 12 1HB SER 2 1HB SER 2 -9.318 9.552 -10.666 13 2HB SER 2 2HB SER 2 -9.634 11.135 -11.371 14 HG SER 2 HG SER 2 -10.882 10.598 -9.452 15 H THR 3 H THR 3 -9.120 10.851 -14.217 16 HA THR 3 HA THR 3 -7.244 8.759 -14.911 17 HB THR 3 HB THR 3 -6.236 10.643 -16.332 18 HG1 THR 3 HG1 THR 3 -7.371 12.478 -16.540 19 1HG2 THR 3 1HG2 THR 3 -9.071 9.755 -16.852 20 2HG2 THR 3 2HG2 THR 3 -7.613 8.830 -17.214 21 3HG2 THR 3 3HG2 THR 3 -7.929 10.348 -18.059 22 H TYR 4 H TYR 4 -5.782 8.360 -13.389 23 HA TYR 4 HA TYR 4 -5.030 10.341 -11.476 24 1HB TYR 4 1HB TYR 4 -5.228 7.705 -11.282 25 2HB TYR 4 2HB TYR 4 -3.526 7.776 -11.727 26 HD1 TYR 4 HD1 TYR 4 -5.881 8.022 -9.066 27 HD2 TYR 4 HD2 TYR 4 -1.998 9.280 -10.275 28 HE1 TYR 4 HE1 TYR 4 -5.318 8.517 -6.724 29 HE2 TYR 4 HE2 TYR 4 -1.428 9.776 -7.936 30 HH TYR 4 HH TYR 4 -2.769 10.399 -5.815 31 H ASP 5 H ASP 5 -3.688 9.221 -14.467 32 HA ASP 5 HA ASP 5 -1.256 10.774 -13.904 33 1HB ASP 5 1HB ASP 5 -1.450 7.996 -15.031 34 2HB ASP 5 2HB ASP 5 -0.061 9.017 -15.379 35 H GLU 6 H GLU 6 -0.025 11.315 -15.871 36 HA GLU 6 HA GLU 6 -1.541 11.458 -18.345 37 1HB GLU 6 1HB GLU 6 -2.254 13.471 -17.140 38 2HB GLU 6 2HB GLU 6 -0.577 13.920 -16.864 39 1HG GLU 6 1HG GLU 6 -0.244 14.271 -19.229 40 2HG GLU 6 2HG GLU 6 -1.882 13.715 -19.569 41 H ILE 7 H ILE 7 -0.144 10.874 -19.905 42 HA ILE 7 HA ILE 7 2.743 11.220 -19.336 43 HB ILE 7 HB ILE 7 1.495 9.063 -21.059 44 1HG1 ILE 7 1HG1 ILE 7 2.467 7.636 -19.050 45 2HG1 ILE 7 2HG1 ILE 7 2.167 9.122 -18.154 46 1HG2 ILE 7 1HG2 ILE 7 3.690 8.017 -20.962 47 2HG2 ILE 7 2HG2 ILE 7 4.295 9.360 -19.992 48 3HG2 ILE 7 3HG2 ILE 7 3.788 9.635 -21.658 49 1HD1 ILE 7 1HD1 ILE 7 -0.165 9.073 -18.862 50 2HD1 ILE 7 2HD1 ILE 7 0.285 7.612 -17.976 51 3HD1 ILE 7 3HD1 ILE 7 0.139 7.571 -19.735 52 H GLU 8 H GLU 8 4.114 11.803 -21.061 53 HA GLU 8 HA GLU 8 2.974 13.434 -23.081 54 1HB GLU 8 1HB GLU 8 5.764 12.292 -22.888 55 2HB GLU 8 2HB GLU 8 5.261 13.560 -23.996 56 1HG GLU 8 1HG GLU 8 4.651 14.936 -22.000 57 2HG GLU 8 2HG GLU 8 5.410 13.697 -20.999 58 H ILE 9 H ILE 9 2.673 13.076 -25.231 59 HA ILE 9 HA ILE 9 1.973 10.552 -26.154 60 HB ILE 9 HB ILE 9 1.179 12.635 -27.159 61 1HG1 ILE 9 1HG1 ILE 9 2.640 10.992 -29.238 62 2HG1 ILE 9 2HG1 ILE 9 1.156 10.475 -28.441 63 1HG2 ILE 9 1HG2 ILE 9 3.953 12.899 -28.316 64 2HG2 ILE 9 2HG2 ILE 9 3.246 13.924 -27.068 65 3HG2 ILE 9 3HG2 ILE 9 2.568 13.926 -28.696 66 1HD1 ILE 9 1HD1 ILE 9 0.695 11.417 -30.632 67 2HD1 ILE 9 2HD1 ILE 9 1.479 12.925 -30.164 68 3HD1 ILE 9 3HD1 ILE 9 -0.009 12.419 -29.362 69 H GLU 10 H GLU 10 5.050 12.143 -26.136 70 HA GLU 10 HA GLU 10 6.373 10.456 -28.000 71 1HB GLU 10 1HB GLU 10 7.609 12.049 -25.749 72 2HB GLU 10 2HB GLU 10 8.405 11.484 -27.213 73 1HG GLU 10 1HG GLU 10 6.991 12.956 -28.555 74 2HG GLU 10 2HG GLU 10 6.190 13.521 -27.089 75 H ASP 11 H ASP 11 5.858 10.334 -24.520 76 HA ASP 11 HA ASP 11 7.688 8.153 -24.116 77 1HB ASP 11 1HB ASP 11 6.996 9.868 -22.350 78 2HB ASP 11 2HB ASP 11 5.481 8.986 -22.232 79 H MET 12 H MET 12 4.170 8.544 -24.328 80 HA MET 12 HA MET 12 3.278 5.950 -24.216 81 1HB MET 12 1HB MET 12 2.475 8.170 -26.107 82 2HB MET 12 2HB MET 12 1.598 6.653 -25.965 83 1HG MET 12 1HG MET 12 2.067 8.491 -23.632 84 2HG MET 12 2HG MET 12 0.659 8.610 -24.685 85 1HE MET 12 1HE MET 12 -1.222 6.767 -24.869 86 2HE MET 12 2HE MET 12 -1.124 5.188 -24.090 87 3HE MET 12 3HE MET 12 0.012 5.611 -25.372 88 H THR 13 H THR 13 3.321 4.180 -25.546 89 HA THR 13 HA THR 13 5.475 4.127 -27.455 90 HB THR 13 HB THR 13 3.551 1.898 -26.789 91 HG1 THR 13 HG1 THR 13 5.770 2.940 -25.399 92 1HG2 THR 13 1HG2 THR 13 4.937 1.520 -28.770 93 2HG2 THR 13 2HG2 THR 13 5.423 0.457 -27.450 94 3HG2 THR 13 3HG2 THR 13 6.386 1.884 -27.831 95 H PHE 14 H PHE 14 5.087 4.983 -29.369 96 HA PHE 14 HA PHE 14 2.505 4.973 -30.591 97 1HB PHE 14 1HB PHE 14 3.749 5.975 -32.554 98 2HB PHE 14 2HB PHE 14 3.861 6.874 -31.047 99 HD1 PHE 14 HD1 PHE 14 5.970 6.811 -29.732 100 HD2 PHE 14 HD2 PHE 14 5.672 5.094 -33.618 101 HE1 PHE 14 HE1 PHE 14 8.422 6.819 -29.920 102 HE2 PHE 14 HE2 PHE 14 8.125 5.090 -33.804 103 HZ PHE 14 HZ PHE 14 9.502 5.956 -31.957 104 H GLU 15 H GLU 15 1.649 3.530 -31.917 105 HA GLU 15 HA GLU 15 3.427 1.468 -33.029 106 1HB GLU 15 1HB GLU 15 1.814 0.717 -31.226 107 2HB GLU 15 2HB GLU 15 0.512 1.101 -32.342 108 1HG GLU 15 1HG GLU 15 0.983 -1.259 -32.390 109 2HG GLU 15 2HG GLU 15 1.405 -0.526 -33.934 110 HA PRO 16 HA PRO 16 1.761 3.820 -36.586 111 1HB PRO 16 1HB PRO 16 3.800 3.072 -38.260 112 2HB PRO 16 2HB PRO 16 3.873 4.471 -37.184 113 1HG PRO 16 1HG PRO 16 5.005 1.728 -36.806 114 2HG PRO 16 2HG PRO 16 5.729 3.303 -36.429 115 1HD PRO 16 1HD PRO 16 4.625 1.747 -34.527 116 2HD PRO 16 2HD PRO 16 4.538 3.518 -34.458 117 H GLU 17 H GLU 17 2.796 0.529 -36.224 118 HA GLU 17 HA GLU 17 1.839 -0.536 -38.651 119 1HB GLU 17 1HB GLU 17 2.079 -1.912 -35.970 120 2HB GLU 17 2HB GLU 17 2.022 -2.696 -37.544 121 1HG GLU 17 1HG GLU 17 4.187 -0.797 -36.682 122 2HG GLU 17 2HG GLU 17 4.287 -2.550 -36.527 123 H ASN 18 H ASN 18 0.295 0.284 -35.645 124 HA ASN 18 HA ASN 18 -2.218 -0.922 -36.589 125 1HB ASN 18 1HB ASN 18 -1.328 -0.209 -33.788 126 2HB ASN 18 2HB ASN 18 -2.944 -0.767 -34.197 127 1HD2 ASN 18 1HD2 ASN 18 -1.029 -1.976 -32.420 128 2HD2 ASN 18 2HD2 ASN 18 -0.706 -3.558 -33.035 129 H GLN 19 H GLN 19 -0.690 1.878 -36.709 130 HA GLN 19 HA GLN 19 -1.264 4.039 -37.052 131 1HB GLN 19 1HB GLN 19 -3.951 2.754 -37.485 132 2HB GLN 19 2HB GLN 19 -3.669 4.469 -37.726 133 1HG GLN 19 1HG GLN 19 -3.519 3.589 -39.855 134 2HG GLN 19 2HG GLN 19 -1.835 3.732 -39.363 135 1HE2 GLN 19 1HE2 GLN 19 -0.599 1.912 -39.184 136 2HE2 GLN 19 2HE2 GLN 19 -1.166 0.329 -39.594 137 H MET 20 H MET 20 -1.124 3.277 -34.309 138 HA MET 20 HA MET 20 -2.705 5.387 -33.160 139 1HB MET 20 1HB MET 20 -3.946 4.036 -31.555 140 2HB MET 20 2HB MET 20 -4.379 3.589 -33.198 141 1HG MET 20 1HG MET 20 -2.982 1.627 -33.071 142 2HG MET 20 2HG MET 20 -2.433 2.095 -31.463 143 1HE MET 20 1HE MET 20 -4.694 -1.066 -30.823 144 2HE MET 20 2HE MET 20 -3.088 -0.365 -30.614 145 3HE MET 20 3HE MET 20 -3.669 -0.773 -32.228 146 H PHE 21 H PHE 21 -2.438 5.346 -30.671 147 HA PHE 21 HA PHE 21 0.349 4.612 -30.072 148 1HB PHE 21 1HB PHE 21 -1.397 6.663 -28.690 149 2HB PHE 21 2HB PHE 21 0.300 6.344 -28.351 150 HD1 PHE 21 HD1 PHE 21 -2.002 8.282 -30.238 151 HD2 PHE 21 HD2 PHE 21 1.965 6.739 -30.265 152 HE1 PHE 21 HE1 PHE 21 -1.356 9.975 -31.902 153 HE2 PHE 21 HE2 PHE 21 2.614 8.430 -31.927 154 HZ PHE 21 HZ PHE 21 0.955 10.051 -32.750 155 H THR 22 H THR 22 0.803 3.399 -28.272 156 HA THR 22 HA THR 22 -1.444 2.598 -26.559 157 HB THR 22 HB THR 22 -0.593 0.240 -26.582 158 HG1 THR 22 HG1 THR 22 1.263 1.394 -28.253 159 1HG2 THR 22 1HG2 THR 22 -2.563 0.859 -27.878 160 2HG2 THR 22 2HG2 THR 22 -1.620 -0.365 -28.730 161 3HG2 THR 22 3HG2 THR 22 -1.541 1.324 -29.236 162 H TYR 23 H TYR 23 -0.605 1.400 -24.579 163 HA TYR 23 HA TYR 23 2.169 2.055 -23.944 164 1HB TYR 23 1HB TYR 23 0.381 3.794 -23.066 165 2HB TYR 23 2HB TYR 23 0.095 2.562 -21.841 166 HD1 TYR 23 HD1 TYR 23 2.959 4.318 -23.459 167 HD2 TYR 23 HD2 TYR 23 1.318 2.728 -19.874 168 HE1 TYR 23 HE1 TYR 23 4.901 5.152 -22.211 169 HE2 TYR 23 HE2 TYR 23 3.260 3.559 -18.611 170 HH TYR 23 HH TYR 23 5.559 5.734 -20.008 171 HA PRO 24 HA PRO 24 1.970 -2.258 -22.864 172 1HB PRO 24 1HB PRO 24 4.407 -1.476 -21.336 173 2HB PRO 24 2HB PRO 24 4.173 -2.799 -22.484 174 1HG PRO 24 1HG PRO 24 5.505 -0.603 -23.188 175 2HG PRO 24 2HG PRO 24 4.421 -1.418 -24.329 176 1HD PRO 24 1HD PRO 24 4.003 1.102 -22.792 177 2HD PRO 24 2HD PRO 24 3.459 0.670 -24.421 178 H CYS 25 H CYS 25 0.538 -2.867 -21.424 179 HA CYS 25 HA CYS 25 0.949 -2.185 -18.598 180 1HB CYS 25 1HB CYS 25 -0.932 -0.869 -19.335 181 2HB CYS 25 2HB CYS 25 -1.651 -2.253 -20.148 182 HA PRO 26 HA PRO 26 0.392 -6.602 -18.338 183 1HB PRO 26 1HB PRO 26 0.975 -6.831 -15.691 184 2HB PRO 26 2HB PRO 26 2.207 -6.598 -16.933 185 1HG PRO 26 1HG PRO 26 1.270 -4.737 -14.883 186 2HG PRO 26 2HG PRO 26 2.730 -4.662 -15.880 187 1HD PRO 26 1HD PRO 26 0.215 -3.262 -16.231 188 2HD PRO 26 2HD PRO 26 1.733 -3.061 -17.129 189 H CYS 27 H CYS 27 -1.576 -7.406 -18.380 190 HA CYS 27 HA CYS 27 -3.255 -7.759 -16.189 191 1HB CYS 27 1HB CYS 27 -5.107 -6.252 -16.681 192 2HB CYS 27 2HB CYS 27 -3.649 -5.302 -16.420 193 H GLY 28 H GLY 28 -3.145 -7.127 -19.627 194 1HA GLY 28 1HA GLY 28 -3.526 -9.630 -20.619 195 2HA GLY 28 2HA GLY 28 -5.160 -9.051 -20.315 196 H ASP 29 H ASP 29 -4.253 -6.247 -20.820 197 HA ASP 29 HA ASP 29 -3.627 -6.311 -23.671 198 1HB ASP 29 1HB ASP 29 -6.233 -6.189 -23.038 199 2HB ASP 29 2HB ASP 29 -5.834 -4.483 -22.863 200 H ARG 30 H ARG 30 -3.526 -3.825 -24.383 201 HA ARG 30 HA ARG 30 -1.956 -2.474 -22.277 202 1HB ARG 30 1HB ARG 30 -0.732 -1.407 -24.225 203 2HB ARG 30 2HB ARG 30 -0.448 -3.128 -23.988 204 1HG ARG 30 1HG ARG 30 -1.984 -3.663 -25.781 205 2HG ARG 30 2HG ARG 30 -2.366 -1.950 -25.992 206 1HD ARG 30 1HD ARG 30 -0.739 -2.800 -27.648 207 2HD ARG 30 2HD ARG 30 -0.110 -1.481 -26.666 208 HE ARG 30 HE ARG 30 0.537 -4.074 -25.616 209 1HH1 ARG 30 1HH1 ARG 30 1.478 -1.563 -27.866 210 2HH1 ARG 30 2HH1 ARG 30 3.143 -2.061 -27.940 211 1HH2 ARG 30 1HH2 ARG 30 2.717 -4.716 -25.662 212 2HH2 ARG 30 2HH2 ARG 30 3.858 -3.854 -26.658 213 H PHE 31 H PHE 31 -2.019 -0.179 -22.216 214 HA PHE 31 HA PHE 31 -4.474 1.074 -22.534 215 1HB PHE 31 1HB PHE 31 -1.692 2.265 -22.505 216 2HB PHE 31 2HB PHE 31 -3.159 3.232 -22.464 217 HD1 PHE 31 HD1 PHE 31 -0.915 1.094 -20.570 218 HD2 PHE 31 HD2 PHE 31 -4.613 3.201 -20.495 219 HE1 PHE 31 HE1 PHE 31 -0.965 0.918 -18.117 220 HE2 PHE 31 HE2 PHE 31 -4.669 3.021 -18.043 221 HZ PHE 31 HZ PHE 31 -2.843 1.881 -16.852 222 H GLN 32 H GLN 32 -5.550 1.869 -24.234 223 HA GLN 32 HA GLN 32 -4.037 2.239 -26.732 224 1HB GLN 32 1HB GLN 32 -5.861 1.301 -27.991 225 2HB GLN 32 2HB GLN 32 -5.392 0.156 -26.746 226 1HG GLN 32 1HG GLN 32 -7.301 1.126 -25.368 227 2HG GLN 32 2HG GLN 32 -7.834 1.892 -26.863 228 1HE2 GLN 32 1HE2 GLN 32 -6.385 -1.303 -26.424 229 2HE2 GLN 32 2HE2 GLN 32 -7.742 -2.198 -27.010 230 H ILE 33 H ILE 33 -4.442 4.048 -27.882 231 HA ILE 33 HA ILE 33 -6.760 5.684 -27.195 232 HB ILE 33 HB ILE 33 -4.897 6.537 -25.815 233 1HG1 ILE 33 1HG1 ILE 33 -5.626 8.443 -28.047 234 2HG1 ILE 33 2HG1 ILE 33 -6.668 8.056 -26.684 235 1HG2 ILE 33 1HG2 ILE 33 -2.983 7.640 -26.867 236 2HG2 ILE 33 2HG2 ILE 33 -3.540 7.077 -28.443 237 3HG2 ILE 33 3HG2 ILE 33 -3.036 5.912 -27.219 238 1HD1 ILE 33 1HD1 ILE 33 -5.536 10.175 -26.349 239 2HD1 ILE 33 2HD1 ILE 33 -3.974 9.376 -26.522 240 3HD1 ILE 33 3HD1 ILE 33 -5.014 8.988 -25.153 241 H TYR 34 H TYR 34 -7.530 6.919 -28.906 242 HA TYR 34 HA TYR 34 -6.498 6.018 -31.504 243 1HB TYR 34 1HB TYR 34 -9.219 7.212 -30.983 244 2HB TYR 34 2HB TYR 34 -8.707 6.228 -32.351 245 HD1 TYR 34 HD1 TYR 34 -8.085 3.760 -31.847 246 HD2 TYR 34 HD2 TYR 34 -10.270 6.232 -29.160 247 HE1 TYR 34 HE1 TYR 34 -8.941 1.753 -30.707 248 HE2 TYR 34 HE2 TYR 34 -11.128 4.237 -28.010 249 HH TYR 34 HH TYR 34 -9.844 1.181 -28.386 250 H LEU 35 H LEU 35 -5.864 7.426 -33.047 251 HA LEU 35 HA LEU 35 -5.150 10.060 -32.448 252 1HB LEU 35 1HB LEU 35 -5.357 8.441 -34.912 253 2HB LEU 35 2HB LEU 35 -5.409 10.174 -35.146 254 HG LEU 35 HG LEU 35 -3.161 9.489 -35.453 255 1HD1 LEU 35 1HD1 LEU 35 -1.982 10.701 -33.687 256 2HD1 LEU 35 2HD1 LEU 35 -3.449 10.690 -32.708 257 3HD1 LEU 35 3HD1 LEU 35 -3.417 11.566 -34.238 258 1HD2 LEU 35 1HD2 LEU 35 -1.889 8.231 -33.821 259 2HD2 LEU 35 2HD2 LEU 35 -3.308 7.319 -34.337 260 3HD2 LEU 35 3HD2 LEU 35 -3.303 8.129 -32.769 261 H ASP 36 H ASP 36 -8.092 8.765 -33.832 262 HA ASP 36 HA ASP 36 -9.277 11.050 -34.857 263 1HB ASP 36 1HB ASP 36 -10.241 8.841 -35.184 264 2HB ASP 36 2HB ASP 36 -10.578 8.700 -33.463 265 H ASP 37 H ASP 37 -9.505 9.742 -31.567 266 HA ASP 37 HA ASP 37 -11.244 11.853 -30.711 267 1HB ASP 37 1HB ASP 37 -10.842 9.333 -29.832 268 2HB ASP 37 2HB ASP 37 -9.841 10.213 -28.679 269 H MET 38 H MET 38 -7.815 11.200 -30.605 270 HA MET 38 HA MET 38 -7.084 13.208 -28.746 271 1HB MET 38 1HB MET 38 -5.491 12.088 -31.065 272 2HB MET 38 2HB MET 38 -4.828 13.052 -29.751 273 1HG MET 38 1HG MET 38 -5.505 11.304 -28.163 274 2HG MET 38 2HG MET 38 -6.094 10.336 -29.512 275 1HE MET 38 1HE MET 38 -2.843 12.580 -29.155 276 2HE MET 38 2HE MET 38 -1.671 11.352 -28.678 277 3HE MET 38 3HE MET 38 -3.017 11.752 -27.609 278 H PHE 39 H PHE 39 -7.558 13.195 -32.236 279 HA PHE 39 HA PHE 39 -6.711 15.874 -32.668 280 1HB PHE 39 1HB PHE 39 -6.860 14.083 -34.429 281 2HB PHE 39 2HB PHE 39 -8.612 14.247 -34.371 282 HD1 PHE 39 HD1 PHE 39 -9.684 15.837 -35.693 283 HD2 PHE 39 HD2 PHE 39 -5.498 16.167 -35.004 284 HE1 PHE 39 HE1 PHE 39 -9.561 17.660 -37.343 285 HE2 PHE 39 HE2 PHE 39 -5.364 17.990 -36.653 286 HZ PHE 39 HZ PHE 39 -7.399 18.736 -37.823 287 H GLU 40 H GLU 40 -9.640 14.423 -31.562 288 HA GLU 40 HA GLU 40 -11.361 16.648 -32.029 289 1HB GLU 40 1HB GLU 40 -11.571 14.293 -30.144 290 2HB GLU 40 2HB GLU 40 -12.843 15.475 -30.386 291 1HG GLU 40 1HG GLU 40 -11.695 13.768 -32.576 292 2HG GLU 40 2HG GLU 40 -13.145 13.368 -31.656 293 H GLY 41 H GLY 41 -8.893 15.991 -29.787 294 1HA GLY 41 1HA GLY 41 -8.046 17.842 -28.493 295 2HA GLY 41 2HA GLY 41 -9.705 18.361 -28.240 296 H GLU 42 H GLU 42 -10.082 15.225 -27.856 297 HA GLU 42 HA GLU 42 -9.703 15.419 -24.968 298 1HB GLU 42 1HB GLU 42 -11.239 13.389 -26.605 299 2HB GLU 42 2HB GLU 42 -11.164 13.426 -24.847 300 1HG GLU 42 1HG GLU 42 -12.151 15.719 -24.938 301 2HG GLU 42 2HG GLU 42 -12.394 15.479 -26.665 302 H LYS 43 H LYS 43 -7.834 14.738 -24.222 303 HA LYS 43 HA LYS 43 -6.508 12.533 -25.617 304 1HB LYS 43 1HB LYS 43 -4.447 13.511 -24.324 305 2HB LYS 43 2HB LYS 43 -5.008 14.252 -25.811 306 1HG LYS 43 1HG LYS 43 -4.678 16.086 -24.475 307 2HG LYS 43 2HG LYS 43 -6.394 15.778 -24.229 308 1HD LYS 43 1HD LYS 43 -5.820 14.542 -22.154 309 2HD LYS 43 2HD LYS 43 -4.132 14.995 -22.392 310 1HE LYS 43 1HE LYS 43 -4.728 17.350 -22.243 311 2HE LYS 43 2HE LYS 43 -6.428 16.920 -22.066 312 1HZ LYS 43 1HZ LYS 43 -5.848 15.746 -20.004 313 2HZ LYS 43 2HZ LYS 43 -5.485 17.404 -19.926 314 3HZ LYS 43 3HZ LYS 43 -4.241 16.272 -20.157 315 H VAL 44 H VAL 44 -7.065 10.724 -24.639 316 HA VAL 44 HA VAL 44 -6.043 10.165 -22.038 317 HB VAL 44 HB VAL 44 -8.010 11.150 -21.156 318 1HG1 VAL 44 1HG1 VAL 44 -9.245 11.309 -23.259 319 2HG1 VAL 44 2HG1 VAL 44 -10.254 10.694 -21.950 320 3HG1 VAL 44 3HG1 VAL 44 -9.617 9.588 -23.168 321 1HG2 VAL 44 1HG2 VAL 44 -9.270 9.254 -20.205 322 2HG2 VAL 44 2HG2 VAL 44 -7.524 9.011 -20.134 323 3HG2 VAL 44 3HG2 VAL 44 -8.481 8.178 -21.359 324 H ALA 45 H ALA 45 -5.449 8.106 -21.971 325 HA ALA 45 HA ALA 45 -6.411 6.322 -24.098 326 1HB ALA 45 1HB ALA 45 -3.949 6.095 -22.365 327 2HB ALA 45 2HB ALA 45 -3.997 6.693 -24.022 328 3HB ALA 45 3HB ALA 45 -4.395 5.009 -23.683 329 H VAL 46 H VAL 46 -7.228 4.323 -23.647 330 HA VAL 46 HA VAL 46 -7.789 3.764 -20.813 331 HB VAL 46 HB VAL 46 -9.839 4.399 -21.942 332 1HG1 VAL 46 1HG1 VAL 46 -10.764 3.082 -23.790 333 2HG1 VAL 46 2HG1 VAL 46 -9.266 2.153 -23.859 334 3HG1 VAL 46 3HG1 VAL 46 -9.255 3.877 -24.233 335 1HG2 VAL 46 1HG2 VAL 46 -11.194 2.381 -21.506 336 2HG2 VAL 46 2HG2 VAL 46 -10.044 2.732 -20.214 337 3HG2 VAL 46 3HG2 VAL 46 -9.702 1.448 -21.374 338 H CYS 47 H CYS 47 -7.380 1.738 -20.097 339 HA CYS 47 HA CYS 47 -6.370 -0.124 -22.104 340 1HB CYS 47 1HB CYS 47 -4.824 0.540 -20.206 341 2HB CYS 47 2HB CYS 47 -5.919 -0.306 -19.122 342 HA PRO 48 HA PRO 48 -9.987 -2.587 -21.174 343 1HB PRO 48 1HB PRO 48 -9.461 -4.525 -22.989 344 2HB PRO 48 2HB PRO 48 -10.137 -2.958 -23.449 345 1HG PRO 48 1HG PRO 48 -7.338 -3.949 -23.671 346 2HG PRO 48 2HG PRO 48 -8.264 -2.931 -24.786 347 1HD PRO 48 1HD PRO 48 -6.392 -1.981 -23.008 348 2HD PRO 48 2HD PRO 48 -7.726 -1.016 -23.668 349 H SER 49 H SER 49 -10.332 -4.622 -20.208 350 HA SER 49 HA SER 49 -9.844 -6.614 -19.195 351 1HB SER 49 1HB SER 49 -7.955 -7.123 -20.610 352 2HB SER 49 2HB SER 49 -6.943 -5.965 -19.750 353 HG SER 49 HG SER 49 -6.466 -7.526 -18.453 354 H CYS 50 H CYS 50 -7.415 -4.127 -18.255 355 HA CYS 50 HA CYS 50 -8.120 -4.652 -15.467 356 1HB CYS 50 1HB CYS 50 -6.261 -3.248 -14.856 357 2HB CYS 50 2HB CYS 50 -5.726 -4.360 -16.108 358 H SER 51 H SER 51 -8.549 -2.313 -17.970 359 HA SER 51 HA SER 51 -9.963 -0.587 -18.242 360 1HB SER 51 1HB SER 51 -11.672 -2.055 -17.252 361 2HB SER 51 2HB SER 51 -11.217 -1.496 -15.641 362 HG SER 51 HG SER 51 -11.825 0.617 -16.308 363 H LEU 52 H LEU 52 -7.834 0.517 -17.788 364 HA LEU 52 HA LEU 52 -8.311 2.455 -15.635 365 1HB LEU 52 1HB LEU 52 -6.360 1.033 -15.125 366 2HB LEU 52 2HB LEU 52 -5.625 1.506 -16.645 367 HG LEU 52 HG LEU 52 -5.578 3.862 -15.844 368 1HD1 LEU 52 1HD1 LEU 52 -7.410 3.744 -14.247 369 2HD1 LEU 52 2HD1 LEU 52 -5.931 4.312 -13.472 370 3HD1 LEU 52 3HD1 LEU 52 -6.470 2.650 -13.231 371 1HD2 LEU 52 1HD2 LEU 52 -3.726 3.563 -14.284 372 2HD2 LEU 52 2HD2 LEU 52 -3.612 2.435 -15.636 373 3HD2 LEU 52 3HD2 LEU 52 -4.179 1.872 -14.064 374 H MET 53 H MET 53 -7.710 4.592 -16.109 375 HA MET 53 HA MET 53 -7.293 5.213 -18.949 376 1HB MET 53 1HB MET 53 -9.363 6.492 -17.149 377 2HB MET 53 2HB MET 53 -8.976 7.018 -18.782 378 1HG MET 53 1HG MET 53 -9.886 5.090 -19.739 379 2HG MET 53 2HG MET 53 -9.908 4.236 -18.199 380 1HE MET 53 1HE MET 53 -12.763 6.098 -16.282 381 2HE MET 53 2HE MET 53 -11.059 6.555 -16.278 382 3HE MET 53 3HE MET 53 -11.515 4.854 -16.204 383 H ILE 54 H ILE 54 -5.964 6.917 -19.325 384 HA ILE 54 HA ILE 54 -5.345 8.762 -17.146 385 HB ILE 54 HB ILE 54 -2.999 8.585 -17.267 386 1HG1 ILE 54 1HG1 ILE 54 -2.775 8.345 -19.707 387 2HG1 ILE 54 2HG1 ILE 54 -1.757 7.204 -18.842 388 1HG2 ILE 54 1HG2 ILE 54 -2.512 6.210 -16.734 389 2HG2 ILE 54 2HG2 ILE 54 -4.146 5.802 -17.264 390 3HG2 ILE 54 3HG2 ILE 54 -3.907 6.867 -15.879 391 1HD1 ILE 54 1HD1 ILE 54 -2.779 6.182 -20.773 392 2HD1 ILE 54 2HD1 ILE 54 -4.381 6.590 -20.161 393 3HD1 ILE 54 3HD1 ILE 54 -3.369 5.435 -19.289 394 H ASP 55 H ASP 55 -4.399 10.748 -17.882 395 HA ASP 55 HA ASP 55 -5.319 11.530 -20.501 396 1HB ASP 55 1HB ASP 55 -3.947 12.944 -18.234 397 2HB ASP 55 2HB ASP 55 -4.060 13.708 -19.813 398 H VAL 56 H VAL 56 -3.933 12.521 -22.120 399 HA VAL 56 HA VAL 56 -1.106 11.703 -21.991 400 HB VAL 56 HB VAL 56 -2.911 11.362 -24.388 401 1HG1 VAL 56 1HG1 VAL 56 -0.937 10.379 -25.490 402 2HG1 VAL 56 2HG1 VAL 56 0.043 10.809 -24.086 403 3HG1 VAL 56 3HG1 VAL 56 -0.688 12.074 -25.072 404 1HG2 VAL 56 1HG2 VAL 56 -1.511 9.313 -22.673 405 2HG2 VAL 56 2HG2 VAL 56 -2.429 8.970 -24.140 406 3HG2 VAL 56 3HG2 VAL 56 -3.246 9.624 -22.721 407 H VAL 57 H VAL 57 0.234 13.336 -22.365 408 HA VAL 57 HA VAL 57 -0.727 15.897 -23.288 409 HB VAL 57 HB VAL 57 2.106 14.980 -22.720 410 1HG1 VAL 57 1HG1 VAL 57 2.636 17.375 -22.566 411 2HG1 VAL 57 2HG1 VAL 57 0.997 17.760 -23.096 412 3HG1 VAL 57 3HG1 VAL 57 2.097 16.908 -24.179 413 1HG2 VAL 57 1HG2 VAL 57 1.852 16.139 -20.588 414 2HG2 VAL 57 2HG2 VAL 57 0.675 14.839 -20.757 415 3HG2 VAL 57 3HG2 VAL 57 0.174 16.515 -20.984 416 H PHE 58 H PHE 58 -0.687 16.653 -25.356 417 HA PHE 58 HA PHE 58 1.025 15.311 -27.311 418 1HB PHE 58 1HB PHE 58 -0.741 14.756 -28.801 419 2HB PHE 58 2HB PHE 58 -1.248 14.168 -27.222 420 HD1 PHE 58 HD1 PHE 58 -2.147 16.098 -30.042 421 HD2 PHE 58 HD2 PHE 58 -2.789 15.745 -25.851 422 HE1 PHE 58 HE1 PHE 58 -4.229 17.379 -30.263 423 HE2 PHE 58 HE2 PHE 58 -4.881 17.029 -26.067 424 HZ PHE 58 HZ PHE 58 -5.603 17.845 -28.273 425 H ASP 59 H ASP 59 1.074 16.453 -29.409 426 HA ASP 59 HA ASP 59 -0.002 19.188 -29.333 427 1HB ASP 59 1HB ASP 59 2.556 19.064 -29.001 428 2HB ASP 59 2HB ASP 59 2.618 18.554 -30.679 429 H LYS 60 H LYS 60 -0.571 20.018 -31.374 430 HA LYS 60 HA LYS 60 -1.662 18.155 -33.185 431 1HB LYS 60 1HB LYS 60 -1.168 21.125 -33.403 432 2HB LYS 60 2HB LYS 60 -2.034 20.192 -34.617 433 1HG LYS 60 1HG LYS 60 -3.768 19.654 -33.093 434 2HG LYS 60 2HG LYS 60 -2.847 20.277 -31.726 435 1HD LYS 60 1HD LYS 60 -2.995 22.541 -32.702 436 2HD LYS 60 2HD LYS 60 -3.987 21.888 -34.010 437 1HE LYS 60 1HE LYS 60 -5.709 21.258 -32.483 438 2HE LYS 60 2HE LYS 60 -4.697 21.642 -31.093 439 1HZ LYS 60 1HZ LYS 60 -4.757 23.970 -31.728 440 2HZ LYS 60 2HZ LYS 60 -6.328 23.365 -31.515 441 3HZ LYS 60 3HZ LYS 60 -5.722 23.604 -33.079 442 H GLU 61 H GLU 61 1.352 19.943 -33.130 443 HA GLU 61 HA GLU 61 2.211 19.313 -35.757 444 1HB GLU 61 1HB GLU 61 3.867 19.861 -33.283 445 2HB GLU 61 2HB GLU 61 4.478 19.844 -34.930 446 1HG GLU 61 1HG GLU 61 2.398 21.748 -33.878 447 2HG GLU 61 2HG GLU 61 4.112 22.111 -34.056 448 H ASP 62 H ASP 62 2.885 17.760 -32.611 449 HA ASP 62 HA ASP 62 4.388 15.635 -33.662 450 1HB ASP 62 1HB ASP 62 2.690 15.780 -31.165 451 2HB ASP 62 2HB ASP 62 3.723 14.410 -31.558 452 H LEU 63 H LEU 63 0.904 16.014 -33.167 453 HA LEU 63 HA LEU 63 0.098 13.443 -33.895 454 1HB LEU 63 1HB LEU 63 -1.276 16.082 -34.365 455 2HB LEU 63 2HB LEU 63 -2.031 14.527 -34.640 456 HG LEU 63 HG LEU 63 -1.158 15.696 -32.005 457 1HD1 LEU 63 1HD1 LEU 63 -3.528 15.499 -31.464 458 2HD1 LEU 63 2HD1 LEU 63 -3.847 14.853 -33.073 459 3HD1 LEU 63 3HD1 LEU 63 -3.279 16.512 -32.886 460 1HD2 LEU 63 1HD2 LEU 63 -2.201 12.932 -32.604 461 2HD2 LEU 63 2HD2 LEU 63 -2.011 13.623 -30.993 462 3HD2 LEU 63 3HD2 LEU 63 -0.593 13.340 -32.004 463 H ALA 64 H ALA 64 0.352 16.338 -35.965 464 HA ALA 64 HA ALA 64 -0.407 15.120 -38.352 465 1HB ALA 64 1HB ALA 64 0.598 17.029 -39.473 466 2HB ALA 64 2HB ALA 64 1.481 17.445 -38.004 467 3HB ALA 64 3HB ALA 64 -0.280 17.548 -38.033 468 H GLU 65 H GLU 65 2.791 15.466 -36.898 469 HA GLU 65 HA GLU 65 4.248 14.392 -39.042 470 1HB GLU 65 1HB GLU 65 4.772 14.791 -36.117 471 2HB GLU 65 2HB GLU 65 5.952 13.993 -37.144 472 1HG GLU 65 1HG GLU 65 5.895 16.030 -38.611 473 2HG GLU 65 2HG GLU 65 4.914 16.801 -37.365 474 H TYR 66 H TYR 66 2.707 12.902 -36.227 475 HA TYR 66 HA TYR 66 3.771 10.306 -36.814 476 1HB TYR 66 1HB TYR 66 1.913 11.402 -34.769 477 2HB TYR 66 2HB TYR 66 1.855 9.671 -35.099 478 HD1 TYR 66 HD1 TYR 66 4.026 8.362 -34.952 479 HD2 TYR 66 HD2 TYR 66 3.605 12.293 -33.381 480 HE1 TYR 66 HE1 TYR 66 6.005 8.003 -33.544 481 HE2 TYR 66 HE2 TYR 66 5.583 11.941 -31.963 482 HH TYR 66 HH TYR 66 7.706 9.312 -32.405 483 H TYR 67 H TYR 67 0.707 11.954 -37.469 484 HA TYR 67 HA TYR 67 -0.788 9.913 -38.546 485 1HB TYR 67 1HB TYR 67 -0.513 12.816 -39.184 486 2HB TYR 67 2HB TYR 67 -1.404 11.808 -40.310 487 HD1 TYR 67 HD1 TYR 67 -1.523 13.596 -37.205 488 HD2 TYR 67 HD2 TYR 67 -3.401 10.510 -39.445 489 HE1 TYR 67 HE1 TYR 67 -3.536 13.820 -35.814 490 HE2 TYR 67 HE2 TYR 67 -5.421 10.723 -38.059 491 HH TYR 67 HH TYR 67 -5.925 13.336 -35.934 492 H GLU 68 H GLU 68 1.783 11.775 -40.113 493 HA GLU 68 HA GLU 68 1.686 10.529 -42.634 494 1HB GLU 68 1HB GLU 68 2.874 12.650 -42.144 495 2HB GLU 68 2HB GLU 68 4.063 11.750 -41.210 496 1HG GLU 68 1HG GLU 68 4.632 10.492 -43.279 497 2HG GLU 68 2HG GLU 68 3.553 11.570 -44.168 498 H GLU 69 H GLU 69 3.583 9.832 -39.737 499 HA GLU 69 HA GLU 69 5.129 7.745 -40.851 500 1HB GLU 69 1HB GLU 69 4.455 8.414 -37.985 501 2HB GLU 69 2HB GLU 69 5.630 7.191 -38.458 502 1HG GLU 69 1HG GLU 69 5.800 10.095 -39.222 503 2HG GLU 69 2HG GLU 69 6.617 9.379 -37.834 504 H ALA 70 H ALA 70 2.083 7.755 -39.066 505 HA ALA 70 HA ALA 70 1.989 4.888 -38.849 506 1HB ALA 70 1HB ALA 70 -0.146 6.942 -38.309 507 2HB ALA 70 2HB ALA 70 0.994 6.293 -37.130 508 3HB ALA 70 3HB ALA 70 -0.214 5.238 -37.862 509 H GLY 71 H GLY 71 1.227 7.108 -41.283 510 1HA GLY 71 1HA GLY 71 0.514 6.672 -43.437 511 2HA GLY 71 2HA GLY 71 0.280 4.992 -42.976 512 H ILE 72 H ILE 72 -1.165 7.822 -41.463 513 HA ILE 72 HA ILE 72 -3.784 6.845 -42.376 514 HB ILE 72 HB ILE 72 -4.511 8.299 -40.256 515 1HG1 ILE 72 1HG1 ILE 72 -1.795 7.183 -39.519 516 2HG1 ILE 72 2HG1 ILE 72 -2.234 8.888 -39.595 517 1HG2 ILE 72 1HG2 ILE 72 -5.202 6.036 -40.667 518 2HG2 ILE 72 2HG2 ILE 72 -4.639 6.174 -39.001 519 3HG2 ILE 72 3HG2 ILE 72 -3.608 5.426 -40.222 520 1HD1 ILE 72 1HD1 ILE 72 -3.814 8.546 -37.754 521 2HD1 ILE 72 2HD1 ILE 72 -2.167 8.105 -37.304 522 3HD1 ILE 72 3HD1 ILE 72 -3.344 6.846 -37.679 523 H HIS 73 H HIS 73 -5.481 8.628 -42.315 524 HA HIS 73 HA HIS 73 -4.824 10.525 -44.246 525 1HB HIS 73 1HB HIS 73 -7.105 9.776 -43.914 526 2HB HIS 73 2HB HIS 73 -7.140 10.480 -42.303 527 HD1 HIS 73 HD1 HIS 73 -7.155 11.459 -45.946 528 HD2 HIS 73 HD2 HIS 73 -7.765 13.169 -42.200 529 HE1 HIS 73 HE1 HIS 73 -8.083 13.759 -46.386 530 HE2 HIS 73 HE2 HIS 73 -8.625 14.690 -44.105 531 HA PRO 74 HA PRO 74 -2.850 13.535 -41.580 532 1HB PRO 74 1HB PRO 74 -1.892 15.100 -43.550 533 2HB PRO 74 2HB PRO 74 -1.165 13.537 -43.157 534 1HG PRO 74 1HG PRO 74 -3.048 14.250 -45.368 535 2HG PRO 74 2HG PRO 74 -1.615 13.208 -45.411 536 1HD PRO 74 1HD PRO 74 -4.180 12.266 -45.234 537 2HD PRO 74 2HD PRO 74 -2.764 11.393 -44.619 538 HA PRO 75 HA PRO 75 -5.995 16.713 -41.532 539 1HB PRO 75 1HB PRO 75 -4.187 18.303 -39.892 540 2HB PRO 75 2HB PRO 75 -5.698 17.516 -39.434 541 1HG PRO 75 1HG PRO 75 -3.273 16.696 -38.538 542 2HG PRO 75 2HG PRO 75 -4.646 15.595 -38.761 543 1HD PRO 75 1HD PRO 75 -2.274 16.057 -40.535 544 2HD PRO 75 2HD PRO 75 -3.080 14.533 -40.105 545 H GLU 76 H GLU 76 -6.230 19.011 -42.074 546 HA GLU 76 HA GLU 76 -4.544 19.786 -44.258 547 1HB GLU 76 1HB GLU 76 -6.733 21.300 -42.814 548 2HB GLU 76 2HB GLU 76 -5.962 21.827 -44.304 549 1HG GLU 76 1HG GLU 76 -6.832 19.915 -45.485 550 2HG GLU 76 2HG GLU 76 -7.506 19.262 -43.993 551 HA PRO 77 HA PRO 77 -1.180 21.344 -41.924 552 1HB PRO 77 1HB PRO 77 -1.025 23.306 -44.164 553 2HB PRO 77 2HB PRO 77 0.243 22.301 -43.456 554 1HG PRO 77 1HG PRO 77 -0.864 21.632 -45.780 555 2HG PRO 77 2HG PRO 77 -0.456 20.392 -44.579 556 1HD PRO 77 1HD PRO 77 -3.116 21.503 -45.329 557 2HD PRO 77 2HD PRO 77 -2.686 19.868 -44.794 558 H ILE 78 H ILE 78 -0.783 22.861 -40.453 559 HA ILE 78 HA ILE 78 -2.594 25.179 -40.345 560 HB ILE 78 HB ILE 78 -2.466 24.994 -37.861 561 1HG1 ILE 78 1HG1 ILE 78 -1.223 22.289 -38.438 562 2HG1 ILE 78 2HG1 ILE 78 -0.368 23.676 -37.771 563 1HG2 ILE 78 1HG2 ILE 78 -4.407 24.144 -39.049 564 2HG2 ILE 78 2HG2 ILE 78 -4.036 23.115 -37.666 565 3HG2 ILE 78 3HG2 ILE 78 -3.602 22.593 -39.294 566 1HD1 ILE 78 1HD1 ILE 78 -1.806 23.613 -35.802 567 2HD1 ILE 78 2HD1 ILE 78 -0.952 22.086 -36.037 568 3HD1 ILE 78 3HD1 ILE 78 -2.658 22.220 -36.471 569 H ALA 79 H ALA 79 -1.763 27.049 -39.245 570 HA ALA 79 HA ALA 79 1.183 27.132 -39.135 571 1HB ALA 79 1HB ALA 79 -0.680 29.436 -39.702 572 2HB ALA 79 2HB ALA 79 0.228 28.539 -40.920 573 3HB ALA 79 3HB ALA 79 1.082 29.483 -39.699 574 H ALA 80 H ALA 80 1.067 26.381 -36.953 575 HA ALA 80 HA ALA 80 0.118 28.410 -35.043 576 1HB ALA 80 1HB ALA 80 0.768 25.503 -34.558 577 2HB ALA 80 2HB ALA 80 -0.848 26.176 -34.767 578 3HB ALA 80 3HB ALA 80 0.125 26.641 -33.371 579 H ALA 81 H ALA 81 2.820 27.473 -36.612 580 HA ALA 81 HA ALA 81 4.693 27.613 -34.407 581 1HB ALA 81 1HB ALA 81 6.403 27.238 -36.113 582 2HB ALA 81 2HB ALA 81 5.187 27.400 -37.378 583 3HB ALA 81 3HB ALA 81 5.107 26.048 -36.247 584 H ALA 82 H ALA 82 5.923 29.314 -33.873 585 HA ALA 82 HA ALA 82 5.774 31.724 -35.560 586 1HB ALA 82 1HB ALA 82 4.296 32.045 -33.661 587 2HB ALA 82 2HB ALA 82 5.708 33.094 -33.516 588 3HB ALA 82 3HB ALA 82 5.597 31.620 -32.552 Start of MODEL 15 1 1H MET 1 1H MET 1 -13.541 7.805 -10.820 2 HA MET 1 HA MET 1 -13.283 6.285 -13.276 3 1HB MET 1 1HB MET 1 -15.354 8.317 -12.411 4 2HB MET 1 2HB MET 1 -15.428 7.378 -13.897 5 1HG MET 1 1HG MET 1 -15.438 5.315 -12.506 6 2HG MET 1 2HG MET 1 -15.561 6.343 -11.079 7 1HE MET 1 1HE MET 1 -18.793 6.041 -14.366 8 2HE MET 1 2HE MET 1 -17.302 5.097 -14.349 9 3HE MET 1 3HE MET 1 -17.241 6.835 -14.630 10 H SER 2 H SER 2 -11.913 8.971 -12.120 11 HA SER 2 HA SER 2 -11.769 10.320 -14.715 12 1HB SER 2 1HB SER 2 -10.722 12.186 -13.407 13 2HB SER 2 2HB SER 2 -12.365 11.809 -12.889 14 HG SER 2 HG SER 2 -11.640 11.041 -11.027 15 H THR 3 H THR 3 -9.462 11.315 -15.047 16 HA THR 3 HA THR 3 -7.676 9.070 -15.180 17 HB THR 3 HB THR 3 -6.173 10.715 -16.350 18 HG1 THR 3 HG1 THR 3 -7.290 12.715 -16.966 19 1HG2 THR 3 1HG2 THR 3 -9.006 10.447 -17.361 20 2HG2 THR 3 2HG2 THR 3 -7.699 9.285 -17.593 21 3HG2 THR 3 3HG2 THR 3 -7.606 10.877 -18.347 22 H TYR 4 H TYR 4 -6.112 8.584 -13.777 23 HA TYR 4 HA TYR 4 -5.478 10.518 -11.681 24 1HB TYR 4 1HB TYR 4 -6.121 8.229 -11.010 25 2HB TYR 4 2HB TYR 4 -4.743 7.588 -11.895 26 HD1 TYR 4 HD1 TYR 4 -2.652 7.398 -10.855 27 HD2 TYR 4 HD2 TYR 4 -5.650 9.833 -9.066 28 HE1 TYR 4 HE1 TYR 4 -1.240 7.662 -8.862 29 HE2 TYR 4 HE2 TYR 4 -4.243 10.103 -7.065 30 HH TYR 4 HH TYR 4 -0.954 9.250 -7.011 31 H ASP 5 H ASP 5 -4.115 9.083 -14.501 32 HA ASP 5 HA ASP 5 -1.504 10.290 -13.852 33 1HB ASP 5 1HB ASP 5 -1.529 7.754 -13.938 34 2HB ASP 5 2HB ASP 5 -1.929 7.885 -15.644 35 H GLU 6 H GLU 6 -0.236 10.785 -15.893 36 HA GLU 6 HA GLU 6 -1.762 11.459 -18.250 37 1HB GLU 6 1HB GLU 6 -2.321 13.307 -16.688 38 2HB GLU 6 2HB GLU 6 -0.607 13.656 -16.512 39 1HG GLU 6 1HG GLU 6 -0.446 14.322 -18.808 40 2HG GLU 6 2HG GLU 6 -2.105 13.806 -19.118 41 H ILE 7 H ILE 7 -0.355 10.819 -19.810 42 HA ILE 7 HA ILE 7 2.519 11.100 -19.194 43 HB ILE 7 HB ILE 7 1.280 9.124 -21.115 44 1HG1 ILE 7 1HG1 ILE 7 2.295 7.575 -19.153 45 2HG1 ILE 7 2HG1 ILE 7 1.782 8.971 -18.204 46 1HG2 ILE 7 1HG2 ILE 7 3.558 9.654 -21.690 47 2HG2 ILE 7 2HG2 ILE 7 3.478 8.024 -21.020 48 3HG2 ILE 7 3HG2 ILE 7 4.080 9.356 -20.032 49 1HD1 ILE 7 1HD1 ILE 7 -0.461 8.764 -19.137 50 2HD1 ILE 7 2HD1 ILE 7 0.043 7.294 -18.299 51 3HD1 ILE 7 3HD1 ILE 7 0.061 7.357 -20.063 52 H GLU 8 H GLU 8 3.923 11.836 -20.712 53 HA GLU 8 HA GLU 8 3.064 13.629 -22.714 54 1HB GLU 8 1HB GLU 8 5.732 12.230 -22.422 55 2HB GLU 8 2HB GLU 8 5.421 13.669 -23.383 56 1HG GLU 8 1HG GLU 8 5.124 15.008 -21.495 57 2HG GLU 8 2HG GLU 8 4.928 13.612 -20.431 58 H ILE 9 H ILE 9 3.006 13.406 -24.952 59 HA ILE 9 HA ILE 9 2.304 10.881 -26.008 60 HB ILE 9 HB ILE 9 1.505 13.028 -26.943 61 1HG1 ILE 9 1HG1 ILE 9 2.998 11.481 -29.058 62 2HG1 ILE 9 2HG1 ILE 9 1.554 10.862 -28.258 63 1HG2 ILE 9 1HG2 ILE 9 3.520 14.339 -26.801 64 2HG2 ILE 9 2HG2 ILE 9 2.945 14.306 -28.469 65 3HG2 ILE 9 3HG2 ILE 9 4.315 13.305 -27.988 66 1HD1 ILE 9 1HD1 ILE 9 1.706 13.414 -29.861 67 2HD1 ILE 9 2HD1 ILE 9 0.257 12.738 -29.110 68 3HD1 ILE 9 3HD1 ILE 9 1.050 11.878 -30.431 69 H GLU 10 H GLU 10 5.288 12.625 -25.772 70 HA GLU 10 HA GLU 10 6.920 11.130 -27.496 71 1HB GLU 10 1HB GLU 10 7.563 13.266 -26.438 72 2HB GLU 10 2HB GLU 10 7.601 12.473 -24.873 73 1HG GLU 10 1HG GLU 10 9.373 10.948 -25.871 74 2HG GLU 10 2HG GLU 10 9.463 12.111 -27.194 75 H ASP 11 H ASP 11 5.879 10.609 -24.168 76 HA ASP 11 HA ASP 11 7.700 8.411 -23.755 77 1HB ASP 11 1HB ASP 11 7.008 10.011 -21.946 78 2HB ASP 11 2HB ASP 11 5.406 9.282 -21.989 79 H MET 12 H MET 12 4.242 8.845 -24.337 80 HA MET 12 HA MET 12 3.361 6.218 -24.306 81 1HB MET 12 1HB MET 12 2.632 8.507 -26.141 82 2HB MET 12 2HB MET 12 1.787 6.965 -26.159 83 1HG MET 12 1HG MET 12 2.055 8.651 -23.689 84 2HG MET 12 2HG MET 12 0.723 8.823 -24.830 85 1HE MET 12 1HE MET 12 -1.033 5.343 -24.593 86 2HE MET 12 2HE MET 12 0.202 5.846 -25.747 87 3HE MET 12 3HE MET 12 -1.089 6.959 -25.296 88 H THR 13 H THR 13 3.300 4.546 -25.811 89 HA THR 13 HA THR 13 5.509 4.574 -27.716 90 HB THR 13 HB THR 13 3.734 2.272 -26.868 91 HG1 THR 13 HG1 THR 13 5.687 3.553 -25.540 92 1HG2 THR 13 1HG2 THR 13 5.551 0.874 -27.777 93 2HG2 THR 13 2HG2 THR 13 6.386 2.330 -28.320 94 3HG2 THR 13 3HG2 THR 13 4.826 1.897 -29.019 95 H PHE 14 H PHE 14 5.213 4.770 -29.861 96 HA PHE 14 HA PHE 14 2.524 5.033 -30.866 97 1HB PHE 14 1HB PHE 14 3.564 5.725 -32.964 98 2HB PHE 14 2HB PHE 14 4.255 6.602 -31.608 99 HD1 PHE 14 HD1 PHE 14 4.887 4.339 -34.351 100 HD2 PHE 14 HD2 PHE 14 6.550 6.046 -30.825 101 HE1 PHE 14 HE1 PHE 14 7.142 3.704 -35.110 102 HE2 PHE 14 HE2 PHE 14 8.803 5.413 -31.576 103 HZ PHE 14 HZ PHE 14 9.101 4.243 -33.724 104 H GLU 15 H GLU 15 1.457 3.692 -32.218 105 HA GLU 15 HA GLU 15 2.759 1.142 -32.893 106 1HB GLU 15 1HB GLU 15 1.220 0.873 -30.993 107 2HB GLU 15 2HB GLU 15 -0.082 1.564 -31.947 108 1HG GLU 15 1HG GLU 15 -0.210 -0.874 -31.781 109 2HG GLU 15 2HG GLU 15 -0.052 -0.312 -33.442 110 HA PRO 16 HA PRO 16 1.431 3.385 -36.646 111 1HB PRO 16 1HB PRO 16 3.289 2.251 -38.296 112 2HB PRO 16 2HB PRO 16 3.616 3.656 -37.272 113 1HG PRO 16 1HG PRO 16 4.266 0.774 -36.804 114 2HG PRO 16 2HG PRO 16 5.256 2.211 -36.491 115 1HD PRO 16 1HD PRO 16 3.917 0.924 -34.531 116 2HD PRO 16 2HD PRO 16 4.170 2.681 -34.511 117 H GLU 17 H GLU 17 1.740 -0.020 -36.073 118 HA GLU 17 HA GLU 17 0.732 -0.939 -38.559 119 1HB GLU 17 1HB GLU 17 0.691 -2.308 -35.859 120 2HB GLU 17 2HB GLU 17 0.450 -3.091 -37.416 121 1HG GLU 17 1HG GLU 17 2.719 -2.525 -38.074 122 2HG GLU 17 2HG GLU 17 2.962 -1.683 -36.547 123 H ASN 18 H ASN 18 -0.754 0.047 -35.553 124 HA ASN 18 HA ASN 18 -3.405 -0.591 -36.618 125 1HB ASN 18 1HB ASN 18 -2.559 0.136 -33.808 126 2HB ASN 18 2HB ASN 18 -4.180 -0.346 -34.303 127 1HD2 ASN 18 1HD2 ASN 18 -4.515 -2.483 -34.997 128 2HD2 ASN 18 2HD2 ASN 18 -3.456 -3.758 -34.492 129 H GLN 19 H GLN 19 -1.284 1.923 -36.430 130 HA GLN 19 HA GLN 19 -1.397 4.163 -36.760 131 1HB GLN 19 1HB GLN 19 -4.266 3.531 -37.452 132 2HB GLN 19 2HB GLN 19 -3.587 5.142 -37.571 133 1HG GLN 19 1HG GLN 19 -3.414 4.426 -39.729 134 2HG GLN 19 2HG GLN 19 -1.828 3.981 -39.107 135 1HE2 GLN 19 1HE2 GLN 19 -1.270 1.849 -38.975 136 2HE2 GLN 19 2HE2 GLN 19 -2.259 0.564 -39.578 137 H MET 20 H MET 20 -1.680 3.185 -34.095 138 HA MET 20 HA MET 20 -3.106 5.446 -32.917 139 1HB MET 20 1HB MET 20 -4.345 4.098 -31.342 140 2HB MET 20 2HB MET 20 -4.735 3.561 -32.971 141 1HG MET 20 1HG MET 20 -3.264 1.663 -32.734 142 2HG MET 20 2HG MET 20 -2.761 2.220 -31.140 143 1HE MET 20 1HE MET 20 -3.319 -0.115 -30.065 144 2HE MET 20 2HE MET 20 -3.777 -0.717 -31.659 145 3HE MET 20 3HE MET 20 -4.854 -0.956 -30.282 146 H PHE 21 H PHE 21 -2.658 5.564 -30.519 147 HA PHE 21 HA PHE 21 0.132 4.821 -30.045 148 1HB PHE 21 1HB PHE 21 -1.694 6.817 -28.711 149 2HB PHE 21 2HB PHE 21 -0.131 6.372 -28.037 150 HD1 PHE 21 HD1 PHE 21 1.935 6.792 -29.407 151 HD2 PHE 21 HD2 PHE 21 -1.866 8.410 -30.418 152 HE1 PHE 21 HE1 PHE 21 3.035 8.484 -30.814 153 HE2 PHE 21 HE2 PHE 21 -0.775 10.103 -31.830 154 HZ PHE 21 HZ PHE 21 1.680 10.142 -32.030 155 H THR 22 H THR 22 0.783 3.718 -28.203 156 HA THR 22 HA THR 22 -1.317 2.496 -26.569 157 HB THR 22 HB THR 22 -0.020 0.318 -26.699 158 HG1 THR 22 HG1 THR 22 1.312 1.858 -28.635 159 1HG2 THR 22 1HG2 THR 22 -1.332 1.313 -29.231 160 2HG2 THR 22 2HG2 THR 22 -2.158 0.607 -27.842 161 3HG2 THR 22 3HG2 THR 22 -1.058 -0.375 -28.808 162 H TYR 23 H TYR 23 -0.389 1.450 -24.585 163 HA TYR 23 HA TYR 23 2.295 2.307 -23.873 164 1HB TYR 23 1HB TYR 23 0.511 4.093 -23.224 165 2HB TYR 23 2HB TYR 23 0.075 2.951 -21.956 166 HD1 TYR 23 HD1 TYR 23 1.124 3.186 -19.896 167 HD2 TYR 23 HD2 TYR 23 3.109 4.569 -23.394 168 HE1 TYR 23 HE1 TYR 23 2.959 4.058 -18.507 169 HE2 TYR 23 HE2 TYR 23 4.944 5.441 -22.017 170 HH TYR 23 HH TYR 23 5.408 6.130 -19.812 171 HA PRO 24 HA PRO 24 2.311 -1.838 -22.321 172 1HB PRO 24 1HB PRO 24 4.465 -0.718 -20.604 173 2HB PRO 24 2HB PRO 24 4.481 -2.144 -21.647 174 1HG PRO 24 1HG PRO 24 5.715 0.107 -22.378 175 2HG PRO 24 2HG PRO 24 4.864 -0.904 -23.560 176 1HD PRO 24 1HD PRO 24 4.044 1.691 -22.345 177 2HD PRO 24 2HD PRO 24 3.747 1.061 -23.976 178 H CYS 25 H CYS 25 0.827 -2.510 -20.972 179 HA CYS 25 HA CYS 25 0.981 -1.715 -18.155 180 1HB CYS 25 1HB CYS 25 -0.933 -0.507 -18.931 181 2HB CYS 25 2HB CYS 25 -1.504 -1.881 -19.869 182 HA PRO 26 HA PRO 26 0.789 -6.170 -17.882 183 1HB PRO 26 1HB PRO 26 0.902 -6.058 -15.038 184 2HB PRO 26 2HB PRO 26 2.234 -6.366 -16.154 185 1HG PRO 26 1HG PRO 26 1.966 -4.118 -14.541 186 2HG PRO 26 2HG PRO 26 3.015 -4.245 -15.962 187 1HD PRO 26 1HD PRO 26 0.315 -2.992 -15.697 188 2HD PRO 26 2HD PRO 26 1.707 -2.486 -16.683 189 H CYS 27 H CYS 27 -1.072 -7.144 -18.160 190 HA CYS 27 HA CYS 27 -2.973 -7.669 -16.212 191 1HB CYS 27 1HB CYS 27 -4.887 -6.329 -16.909 192 2HB CYS 27 2HB CYS 27 -3.569 -5.261 -16.447 193 H GLY 28 H GLY 28 -2.595 -6.913 -19.626 194 1HA GLY 28 1HA GLY 28 -2.581 -9.449 -20.650 195 2HA GLY 28 2HA GLY 28 -4.289 -9.037 -20.532 196 H ASP 29 H ASP 29 -3.642 -6.160 -20.958 197 HA ASP 29 HA ASP 29 -2.805 -6.177 -23.761 198 1HB ASP 29 1HB ASP 29 -5.440 -6.284 -23.297 199 2HB ASP 29 2HB ASP 29 -5.210 -4.549 -23.101 200 H ARG 30 H ARG 30 -2.900 -3.724 -24.508 201 HA ARG 30 HA ARG 30 -1.498 -2.218 -22.391 202 1HB ARG 30 1HB ARG 30 -0.181 -1.194 -24.213 203 2HB ARG 30 2HB ARG 30 0.000 -2.945 -24.180 204 1HG ARG 30 1HG ARG 30 -1.999 -2.815 -25.905 205 2HG ARG 30 2HG ARG 30 -1.332 -1.206 -26.179 206 1HD ARG 30 1HD ARG 30 -0.401 -2.864 -27.726 207 2HD ARG 30 2HD ARG 30 0.840 -2.172 -26.680 208 HE ARG 30 HE ARG 30 1.064 -4.217 -25.593 209 1HH1 ARG 30 1HH1 ARG 30 -1.554 -4.361 -27.941 210 2HH1 ARG 30 2HH1 ARG 30 -1.622 -6.100 -27.933 211 1HH2 ARG 30 1HH2 ARG 30 0.966 -6.486 -25.594 212 2HH2 ARG 30 2HH2 ARG 30 -0.202 -7.302 -26.586 213 H PHE 31 H PHE 31 -1.788 0.078 -22.349 214 HA PHE 31 HA PHE 31 -4.349 1.060 -22.616 215 1HB PHE 31 1HB PHE 31 -1.740 2.581 -22.785 216 2HB PHE 31 2HB PHE 31 -3.314 3.346 -22.622 217 HD1 PHE 31 HD1 PHE 31 -4.624 3.032 -20.547 218 HD2 PHE 31 HD2 PHE 31 -0.624 1.641 -20.930 219 HE1 PHE 31 HE1 PHE 31 -4.447 2.885 -18.098 220 HE2 PHE 31 HE2 PHE 31 -0.441 1.488 -18.481 221 HZ PHE 31 HZ PHE 31 -2.353 2.111 -17.064 222 H GLN 32 H GLN 32 -5.595 1.783 -24.253 223 HA GLN 32 HA GLN 32 -4.288 2.128 -26.873 224 1HB GLN 32 1HB GLN 32 -6.314 1.289 -27.927 225 2HB GLN 32 2HB GLN 32 -5.718 0.113 -26.765 226 1HG GLN 32 1HG GLN 32 -7.386 1.034 -25.134 227 2HG GLN 32 2HG GLN 32 -8.055 1.977 -26.462 228 1HE2 GLN 32 1HE2 GLN 32 -7.490 -0.214 -28.368 229 2HE2 GLN 32 2HE2 GLN 32 -8.724 -1.386 -28.096 230 H ILE 33 H ILE 33 -4.613 3.988 -27.933 231 HA ILE 33 HA ILE 33 -6.944 5.623 -27.322 232 HB ILE 33 HB ILE 33 -5.293 6.472 -25.762 233 1HG1 ILE 33 1HG1 ILE 33 -5.611 8.350 -28.111 234 2HG1 ILE 33 2HG1 ILE 33 -6.815 8.079 -26.855 235 1HG2 ILE 33 1HG2 ILE 33 -3.259 5.734 -26.846 236 2HG2 ILE 33 2HG2 ILE 33 -3.180 7.467 -26.529 237 3HG2 ILE 33 3HG2 ILE 33 -3.514 6.885 -28.159 238 1HD1 ILE 33 1HD1 ILE 33 -5.287 8.987 -25.189 239 2HD1 ILE 33 2HD1 ILE 33 -5.581 10.143 -26.489 240 3HD1 ILE 33 3HD1 ILE 33 -4.070 9.236 -26.440 241 H TYR 34 H TYR 34 -7.710 6.674 -29.093 242 HA TYR 34 HA TYR 34 -6.301 6.140 -31.599 243 1HB TYR 34 1HB TYR 34 -9.161 6.978 -31.063 244 2HB TYR 34 2HB TYR 34 -8.483 6.737 -32.668 245 HD1 TYR 34 HD1 TYR 34 -9.459 5.042 -29.538 246 HD2 TYR 34 HD2 TYR 34 -8.208 4.554 -33.574 247 HE1 TYR 34 HE1 TYR 34 -10.062 2.661 -29.429 248 HE2 TYR 34 HE2 TYR 34 -8.804 2.171 -33.478 249 HH TYR 34 HH TYR 34 -9.131 0.417 -31.839 250 H LEU 35 H LEU 35 -5.877 7.726 -33.118 251 HA LEU 35 HA LEU 35 -5.125 10.261 -32.185 252 1HB LEU 35 1HB LEU 35 -5.419 9.016 -34.882 253 2HB LEU 35 2HB LEU 35 -5.240 10.755 -34.789 254 HG LEU 35 HG LEU 35 -3.095 9.763 -35.214 255 1HD1 LEU 35 1HD1 LEU 35 -3.110 11.725 -33.793 256 2HD1 LEU 35 2HD1 LEU 35 -1.816 10.628 -33.310 257 3HD1 LEU 35 3HD1 LEU 35 -3.301 10.712 -32.362 258 1HD2 LEU 35 1HD2 LEU 35 -3.525 7.529 -34.332 259 2HD2 LEU 35 2HD2 LEU 35 -3.506 8.169 -32.688 260 3HD2 LEU 35 3HD2 LEU 35 -2.038 8.206 -33.667 261 H ASP 36 H ASP 36 -8.078 9.108 -33.684 262 HA ASP 36 HA ASP 36 -9.258 11.496 -34.437 263 1HB ASP 36 1HB ASP 36 -10.540 8.972 -33.375 264 2HB ASP 36 2HB ASP 36 -11.399 10.267 -34.190 265 H ASP 37 H ASP 37 -9.312 9.843 -31.304 266 HA ASP 37 HA ASP 37 -11.070 11.674 -30.032 267 1HB ASP 37 1HB ASP 37 -8.981 9.888 -28.753 268 2HB ASP 37 2HB ASP 37 -10.343 10.644 -27.934 269 H MET 38 H MET 38 -7.564 11.372 -30.210 270 HA MET 38 HA MET 38 -6.903 13.419 -28.399 271 1HB MET 38 1HB MET 38 -5.275 12.520 -30.790 272 2HB MET 38 2HB MET 38 -4.660 13.325 -29.350 273 1HG MET 38 1HG MET 38 -5.300 11.393 -28.003 274 2HG MET 38 2HG MET 38 -5.902 10.587 -29.449 275 1HE MET 38 1HE MET 38 -2.799 11.817 -27.455 276 2HE MET 38 2HE MET 38 -2.644 12.793 -28.916 277 3HE MET 38 3HE MET 38 -1.472 11.521 -28.579 278 H PHE 39 H PHE 39 -7.341 13.446 -31.908 279 HA PHE 39 HA PHE 39 -6.682 16.190 -32.262 280 1HB PHE 39 1HB PHE 39 -6.600 14.491 -34.074 281 2HB PHE 39 2HB PHE 39 -8.356 14.383 -34.022 282 HD1 PHE 39 HD1 PHE 39 -5.539 16.661 -34.747 283 HD2 PHE 39 HD2 PHE 39 -9.698 15.894 -35.218 284 HE1 PHE 39 HE1 PHE 39 -5.684 18.490 -36.384 285 HE2 PHE 39 HE2 PHE 39 -9.854 17.724 -36.858 286 HZ PHE 39 HZ PHE 39 -7.843 19.024 -37.442 287 H GLU 40 H GLU 40 -9.605 14.478 -31.425 288 HA GLU 40 HA GLU 40 -11.405 16.610 -32.011 289 1HB GLU 40 1HB GLU 40 -11.880 14.071 -31.714 290 2HB GLU 40 2HB GLU 40 -11.973 14.455 -30.003 291 1HG GLU 40 1HG GLU 40 -13.796 15.956 -30.365 292 2HG GLU 40 2HG GLU 40 -13.625 15.815 -32.115 293 H GLY 41 H GLY 41 -9.248 15.952 -29.455 294 1HA GLY 41 1HA GLY 41 -8.657 17.803 -28.016 295 2HA GLY 41 2HA GLY 41 -10.355 18.260 -27.991 296 H GLU 42 H GLU 42 -10.316 14.981 -27.781 297 HA GLU 42 HA GLU 42 -10.278 15.084 -24.836 298 1HB GLU 42 1HB GLU 42 -11.696 13.147 -26.678 299 2HB GLU 42 2HB GLU 42 -11.676 13.030 -24.922 300 1HG GLU 42 1HG GLU 42 -12.704 15.324 -24.860 301 2HG GLU 42 2HG GLU 42 -12.913 15.190 -26.604 302 H LYS 43 H LYS 43 -8.306 14.516 -24.171 303 HA LYS 43 HA LYS 43 -6.910 12.430 -25.695 304 1HB LYS 43 1HB LYS 43 -4.796 13.438 -24.934 305 2HB LYS 43 2HB LYS 43 -5.768 14.559 -25.868 306 1HG LYS 43 1HG LYS 43 -5.885 14.600 -22.878 307 2HG LYS 43 2HG LYS 43 -4.548 15.373 -23.728 308 1HD LYS 43 1HD LYS 43 -6.116 16.789 -24.937 309 2HD LYS 43 2HD LYS 43 -7.475 15.984 -24.159 310 1HE LYS 43 1HE LYS 43 -6.579 16.720 -21.961 311 2HE LYS 43 2HE LYS 43 -5.353 17.646 -22.823 312 1HZ LYS 43 1HZ LYS 43 -7.151 19.086 -22.240 313 2HZ LYS 43 2HZ LYS 43 -8.292 18.042 -22.935 314 3HZ LYS 43 3HZ LYS 43 -7.188 18.867 -23.924 315 H VAL 44 H VAL 44 -7.273 10.587 -24.675 316 HA VAL 44 HA VAL 44 -6.153 10.140 -22.085 317 HB VAL 44 HB VAL 44 -8.154 11.013 -21.185 318 1HG1 VAL 44 1HG1 VAL 44 -10.396 10.378 -21.934 319 2HG1 VAL 44 2HG1 VAL 44 -9.686 9.387 -23.210 320 3HG1 VAL 44 3HG1 VAL 44 -9.462 11.137 -23.222 321 1HG2 VAL 44 1HG2 VAL 44 -8.554 8.027 -21.352 322 2HG2 VAL 44 2HG2 VAL 44 -9.272 9.105 -20.155 323 3HG2 VAL 44 3HG2 VAL 44 -7.524 8.870 -20.192 324 H ALA 45 H ALA 45 -5.483 8.096 -21.956 325 HA ALA 45 HA ALA 45 -6.326 6.270 -24.093 326 1HB ALA 45 1HB ALA 45 -3.911 6.752 -23.885 327 2HB ALA 45 2HB ALA 45 -4.286 5.044 -23.663 328 3HB ALA 45 3HB ALA 45 -3.934 6.062 -22.266 329 H VAL 46 H VAL 46 -7.335 4.414 -23.674 330 HA VAL 46 HA VAL 46 -7.855 3.758 -20.847 331 HB VAL 46 HB VAL 46 -9.603 3.120 -23.234 332 1HG1 VAL 46 1HG1 VAL 46 -11.273 2.478 -21.572 333 2HG1 VAL 46 2HG1 VAL 46 -10.114 2.806 -20.281 334 3HG1 VAL 46 3HG1 VAL 46 -9.809 1.505 -21.433 335 1HG2 VAL 46 1HG2 VAL 46 -9.600 5.512 -22.834 336 2HG2 VAL 46 2HG2 VAL 46 -9.958 5.249 -21.128 337 3HG2 VAL 46 3HG2 VAL 46 -11.147 4.814 -22.356 338 H CYS 47 H CYS 47 -6.937 1.900 -20.206 339 HA CYS 47 HA CYS 47 -5.895 0.074 -22.189 340 1HB CYS 47 1HB CYS 47 -4.660 0.614 -20.065 341 2HB CYS 47 2HB CYS 47 -5.897 -0.287 -19.187 342 HA PRO 48 HA PRO 48 -9.543 -2.498 -22.045 343 1HB PRO 48 1HB PRO 48 -8.636 -4.329 -23.825 344 2HB PRO 48 2HB PRO 48 -9.252 -2.748 -24.328 345 1HG PRO 48 1HG PRO 48 -6.433 -3.673 -24.028 346 2HG PRO 48 2HG PRO 48 -7.158 -2.653 -25.281 347 1HD PRO 48 1HD PRO 48 -5.708 -1.674 -23.185 348 2HD PRO 48 2HD PRO 48 -6.975 -0.757 -24.022 349 H SER 49 H SER 49 -9.996 -4.579 -21.222 350 HA SER 49 HA SER 49 -9.654 -6.604 -20.224 351 1HB SER 49 1HB SER 49 -7.534 -6.955 -21.397 352 2HB SER 49 2HB SER 49 -6.703 -5.920 -20.239 353 HG SER 49 HG SER 49 -6.574 -7.542 -18.930 354 H CYS 50 H CYS 50 -7.385 -4.184 -18.821 355 HA CYS 50 HA CYS 50 -8.427 -4.918 -16.187 356 1HB CYS 50 1HB CYS 50 -6.577 -3.748 -15.236 357 2HB CYS 50 2HB CYS 50 -5.940 -4.657 -16.602 358 H SER 51 H SER 51 -8.626 -2.444 -18.554 359 HA SER 51 HA SER 51 -9.855 -0.566 -18.766 360 1HB SER 51 1HB SER 51 -11.742 -1.934 -17.964 361 2HB SER 51 2HB SER 51 -11.316 -1.548 -16.299 362 HG SER 51 HG SER 51 -12.282 0.302 -16.494 363 H LEU 52 H LEU 52 -7.882 0.543 -18.304 364 HA LEU 52 HA LEU 52 -8.081 2.122 -15.830 365 1HB LEU 52 1HB LEU 52 -6.188 0.297 -16.043 366 2HB LEU 52 2HB LEU 52 -5.425 1.500 -17.059 367 HG LEU 52 HG LEU 52 -6.264 2.040 -14.214 368 1HD1 LEU 52 1HD1 LEU 52 -4.634 0.256 -14.206 369 2HD1 LEU 52 2HD1 LEU 52 -3.879 1.753 -13.656 370 3HD1 LEU 52 3HD1 LEU 52 -3.588 1.168 -15.294 371 1HD2 LEU 52 1HD2 LEU 52 -5.995 4.033 -15.593 372 2HD2 LEU 52 2HD2 LEU 52 -4.389 3.490 -16.078 373 3HD2 LEU 52 3HD2 LEU 52 -4.703 3.916 -14.396 374 H MET 53 H MET 53 -7.970 4.297 -16.171 375 HA MET 53 HA MET 53 -7.441 5.158 -18.942 376 1HB MET 53 1HB MET 53 -9.449 6.291 -16.989 377 2HB MET 53 2HB MET 53 -9.157 6.888 -18.618 378 1HG MET 53 1HG MET 53 -10.112 5.024 -19.609 379 2HG MET 53 2HG MET 53 -9.952 4.050 -18.150 380 1HE MET 53 1HE MET 53 -12.702 5.558 -15.831 381 2HE MET 53 2HE MET 53 -11.013 6.059 -15.915 382 3HE MET 53 3HE MET 53 -11.431 4.346 -16.002 383 H ILE 54 H ILE 54 -6.109 6.837 -19.261 384 HA ILE 54 HA ILE 54 -5.487 8.664 -17.068 385 HB ILE 54 HB ILE 54 -3.135 8.500 -17.203 386 1HG1 ILE 54 1HG1 ILE 54 -2.959 8.193 -19.653 387 2HG1 ILE 54 2HG1 ILE 54 -1.893 7.121 -18.755 388 1HG2 ILE 54 1HG2 ILE 54 -4.056 6.800 -15.788 389 2HG2 ILE 54 2HG2 ILE 54 -2.638 6.153 -16.615 390 3HG2 ILE 54 3HG2 ILE 54 -4.258 5.711 -17.159 391 1HD1 ILE 54 1HD1 ILE 54 -2.901 5.976 -20.619 392 2HD1 ILE 54 2HD1 ILE 54 -4.512 6.377 -20.024 393 3HD1 ILE 54 3HD1 ILE 54 -3.475 5.290 -19.098 394 H ASP 55 H ASP 55 -4.492 10.652 -17.826 395 HA ASP 55 HA ASP 55 -5.463 11.429 -20.429 396 1HB ASP 55 1HB ASP 55 -4.379 12.750 -18.045 397 2HB ASP 55 2HB ASP 55 -3.843 13.485 -19.548 398 H VAL 56 H VAL 56 -4.157 12.211 -22.154 399 HA VAL 56 HA VAL 56 -1.303 11.507 -22.028 400 HB VAL 56 HB VAL 56 -3.178 10.844 -24.304 401 1HG1 VAL 56 1HG1 VAL 56 -1.221 9.856 -25.405 402 2HG1 VAL 56 2HG1 VAL 56 -0.193 10.463 -24.108 403 3HG1 VAL 56 3HG1 VAL 56 -1.030 11.595 -25.169 404 1HG2 VAL 56 1HG2 VAL 56 -1.563 9.024 -22.519 405 2HG2 VAL 56 2HG2 VAL 56 -2.606 8.520 -23.847 406 3HG2 VAL 56 3HG2 VAL 56 -3.306 9.275 -22.414 407 H VAL 57 H VAL 57 -0.112 13.214 -22.464 408 HA VAL 57 HA VAL 57 -1.243 15.600 -23.609 409 HB VAL 57 HB VAL 57 1.675 15.028 -23.076 410 1HG1 VAL 57 1HG1 VAL 57 1.287 17.003 -24.423 411 2HG1 VAL 57 2HG1 VAL 57 1.835 17.464 -22.810 412 3HG1 VAL 57 3HG1 VAL 57 0.130 17.608 -23.238 413 1HG2 VAL 57 1HG2 VAL 57 1.324 16.079 -20.877 414 2HG2 VAL 57 2HG2 VAL 57 0.439 14.565 -21.053 415 3HG2 VAL 57 3HG2 VAL 57 -0.410 16.105 -21.187 416 H PHE 58 H PHE 58 -0.603 16.572 -25.623 417 HA PHE 58 HA PHE 58 0.909 14.917 -27.481 418 1HB PHE 58 1HB PHE 58 -0.845 14.976 -29.194 419 2HB PHE 58 2HB PHE 58 -1.393 14.124 -27.757 420 HD1 PHE 58 HD1 PHE 58 -1.829 17.070 -29.859 421 HD2 PHE 58 HD2 PHE 58 -3.100 15.091 -26.313 422 HE1 PHE 58 HE1 PHE 58 -3.810 18.523 -29.766 423 HE2 PHE 58 HE2 PHE 58 -5.084 16.544 -26.215 424 HZ PHE 58 HZ PHE 58 -5.442 18.260 -27.941 425 H ASP 59 H ASP 59 1.346 16.091 -29.551 426 HA ASP 59 HA ASP 59 1.041 19.007 -29.263 427 1HB ASP 59 1HB ASP 59 3.439 18.190 -28.950 428 2HB ASP 59 2HB ASP 59 3.401 17.741 -30.644 429 H LYS 60 H LYS 60 0.975 20.176 -31.206 430 HA LYS 60 HA LYS 60 -0.742 19.155 -33.164 431 1HB LYS 60 1HB LYS 60 1.116 21.450 -33.693 432 2HB LYS 60 2HB LYS 60 -0.548 21.253 -34.197 433 1HG LYS 60 1HG LYS 60 -0.734 22.879 -32.577 434 2HG LYS 60 2HG LYS 60 -1.047 21.415 -31.638 435 1HD LYS 60 1HD LYS 60 1.432 21.384 -31.113 436 2HD LYS 60 2HD LYS 60 1.508 23.003 -31.804 437 1HE LYS 60 1HE LYS 60 0.023 23.854 -30.133 438 2HE LYS 60 2HE LYS 60 -0.306 22.229 -29.527 439 1HZ LYS 60 1HZ LYS 60 1.269 23.299 -28.090 440 2HZ LYS 60 2HZ LYS 60 2.282 23.685 -29.396 441 3HZ LYS 60 3HZ LYS 60 2.074 22.066 -28.936 442 H GLU 61 H GLU 61 2.745 19.728 -33.133 443 HA GLU 61 HA GLU 61 3.134 18.903 -35.855 444 1HB GLU 61 1HB GLU 61 5.085 19.311 -33.585 445 2HB GLU 61 2HB GLU 61 5.565 18.931 -35.231 446 1HG GLU 61 1HG GLU 61 4.522 21.002 -36.011 447 2HG GLU 61 2HG GLU 61 4.062 21.385 -34.352 448 H ASP 62 H ASP 62 3.494 17.390 -32.696 449 HA ASP 62 HA ASP 62 4.829 15.072 -33.573 450 1HB ASP 62 1HB ASP 62 4.363 16.048 -31.148 451 2HB ASP 62 2HB ASP 62 2.993 14.942 -31.222 452 H LEU 63 H LEU 63 1.384 15.831 -33.171 453 HA LEU 63 HA LEU 63 0.396 13.277 -33.852 454 1HB LEU 63 1HB LEU 63 -0.853 15.994 -34.251 455 2HB LEU 63 2HB LEU 63 -1.702 14.477 -34.452 456 HG LEU 63 HG LEU 63 -0.578 15.595 -31.888 457 1HD1 LEU 63 1HD1 LEU 63 -3.400 15.042 -32.792 458 2HD1 LEU 63 2HD1 LEU 63 -2.655 16.629 -32.610 459 3HD1 LEU 63 3HD1 LEU 63 -2.925 15.615 -31.194 460 1HD2 LEU 63 1HD2 LEU 63 -0.266 13.179 -31.957 461 2HD2 LEU 63 2HD2 LEU 63 -1.967 12.964 -32.369 462 3HD2 LEU 63 3HD2 LEU 63 -1.517 13.627 -30.798 463 H ALA 64 H ALA 64 0.892 16.185 -35.831 464 HA ALA 64 HA ALA 64 -0.045 15.225 -38.256 465 1HB ALA 64 1HB ALA 64 0.493 17.576 -37.827 466 2HB ALA 64 2HB ALA 64 1.276 16.992 -39.294 467 3HB ALA 64 3HB ALA 64 2.211 17.178 -37.811 468 H GLU 65 H GLU 65 3.235 15.059 -36.915 469 HA GLU 65 HA GLU 65 4.439 13.825 -39.131 470 1HB GLU 65 1HB GLU 65 5.624 14.890 -37.173 471 2HB GLU 65 2HB GLU 65 5.230 13.454 -36.240 472 1HG GLU 65 1HG GLU 65 6.503 12.076 -37.787 473 2HG GLU 65 2HG GLU 65 6.871 13.497 -38.763 474 H TYR 66 H TYR 66 2.893 12.486 -36.243 475 HA TYR 66 HA TYR 66 3.560 9.801 -36.793 476 1HB TYR 66 1HB TYR 66 2.931 10.556 -34.545 477 2HB TYR 66 2HB TYR 66 1.288 10.868 -35.108 478 HD1 TYR 66 HD1 TYR 66 -0.274 9.246 -34.610 479 HD2 TYR 66 HD2 TYR 66 3.771 8.080 -35.212 480 HE1 TYR 66 HE1 TYR 66 -0.886 6.907 -34.156 481 HE2 TYR 66 HE2 TYR 66 3.173 5.744 -34.757 482 HH TYR 66 HH TYR 66 -0.098 4.698 -34.517 483 H TYR 67 H TYR 67 0.649 11.710 -37.519 484 HA TYR 67 HA TYR 67 -0.964 9.777 -38.622 485 1HB TYR 67 1HB TYR 67 -0.518 12.657 -39.335 486 2HB TYR 67 2HB TYR 67 -1.624 11.671 -40.269 487 HD1 TYR 67 HD1 TYR 67 -3.442 10.391 -38.843 488 HD2 TYR 67 HD2 TYR 67 -1.338 13.847 -37.539 489 HE1 TYR 67 HE1 TYR 67 -5.249 10.887 -37.252 490 HE2 TYR 67 HE2 TYR 67 -3.134 14.347 -35.938 491 HH TYR 67 HH TYR 67 -5.501 13.861 -35.618 492 H GLU 68 H GLU 68 1.632 11.594 -40.205 493 HA GLU 68 HA GLU 68 1.267 10.348 -42.734 494 1HB GLU 68 1HB GLU 68 2.340 12.612 -42.227 495 2HB GLU 68 2HB GLU 68 3.781 11.707 -41.785 496 1HG GLU 68 1HG GLU 68 3.840 10.738 -44.039 497 2HG GLU 68 2HG GLU 68 2.435 11.709 -44.475 498 H GLU 69 H GLU 69 3.319 9.717 -39.951 499 HA GLU 69 HA GLU 69 5.025 7.828 -41.220 500 1HB GLU 69 1HB GLU 69 4.464 8.627 -38.403 501 2HB GLU 69 2HB GLU 69 5.322 7.118 -38.687 502 1HG GLU 69 1HG GLU 69 6.171 9.821 -39.704 503 2HG GLU 69 2HG GLU 69 6.836 9.003 -38.291 504 H ALA 70 H ALA 70 2.104 7.470 -39.244 505 HA ALA 70 HA ALA 70 2.322 4.597 -39.224 506 1HB ALA 70 1HB ALA 70 1.442 5.809 -37.294 507 2HB ALA 70 2HB ALA 70 0.268 4.652 -37.919 508 3HB ALA 70 3HB ALA 70 0.080 6.371 -38.263 509 H GLY 71 H GLY 71 1.061 6.857 -41.392 510 1HA GLY 71 1HA GLY 71 0.100 6.399 -43.469 511 2HA GLY 71 2HA GLY 71 -0.132 4.729 -42.961 512 H ILE 72 H ILE 72 -1.155 7.688 -41.352 513 HA ILE 72 HA ILE 72 -3.909 6.674 -41.341 514 HB ILE 72 HB ILE 72 -3.037 9.118 -39.832 515 1HG1 ILE 72 1HG1 ILE 72 -2.553 6.270 -38.927 516 2HG1 ILE 72 2HG1 ILE 72 -1.306 7.438 -39.345 517 1HG2 ILE 72 1HG2 ILE 72 -4.714 8.345 -38.228 518 2HG2 ILE 72 2HG2 ILE 72 -4.983 6.902 -39.203 519 3HG2 ILE 72 3HG2 ILE 72 -5.401 8.489 -39.848 520 1HD1 ILE 72 1HD1 ILE 72 -1.535 7.225 -36.940 521 2HD1 ILE 72 2HD1 ILE 72 -3.240 7.657 -37.049 522 3HD1 ILE 72 3HD1 ILE 72 -2.004 8.842 -37.465 523 H HIS 73 H HIS 73 -5.548 8.669 -41.398 524 HA HIS 73 HA HIS 73 -5.484 9.802 -43.946 525 1HB HIS 73 1HB HIS 73 -6.967 10.752 -41.486 526 2HB HIS 73 2HB HIS 73 -7.267 11.339 -43.118 527 HD1 HIS 73 HD1 HIS 73 -7.927 9.249 -44.862 528 HD2 HIS 73 HD2 HIS 73 -8.573 8.716 -40.783 529 HE1 HIS 73 HE1 HIS 73 -9.588 7.363 -44.672 530 HE2 HIS 73 HE2 HIS 73 -9.825 6.948 -42.195 531 HA PRO 74 HA PRO 74 -2.238 12.806 -43.564 532 1HB PRO 74 1HB PRO 74 -3.785 14.060 -45.788 533 2HB PRO 74 2HB PRO 74 -2.062 13.684 -45.689 534 1HG PRO 74 1HG PRO 74 -3.681 12.161 -47.140 535 2HG PRO 74 2HG PRO 74 -2.388 11.435 -46.165 536 1HD PRO 74 1HD PRO 74 -5.326 11.546 -45.634 537 2HD PRO 74 2HD PRO 74 -4.166 10.246 -45.295 538 HA PRO 75 HA PRO 75 -4.554 15.738 -41.114 539 1HB PRO 75 1HB PRO 75 -2.428 16.899 -39.924 540 2HB PRO 75 2HB PRO 75 -3.013 15.297 -39.460 541 1HG PRO 75 1HG PRO 75 -0.711 16.041 -41.219 542 2HG PRO 75 2HG PRO 75 -0.807 14.779 -39.975 543 1HD PRO 75 1HD PRO 75 -1.053 14.284 -42.651 544 2HD PRO 75 2HD PRO 75 -1.821 13.290 -41.398 545 H GLU 76 H GLU 76 -5.061 17.886 -41.263 546 HA GLU 76 HA GLU 76 -4.157 19.298 -43.583 547 1HB GLU 76 1HB GLU 76 -5.988 20.136 -41.321 548 2HB GLU 76 2HB GLU 76 -5.734 21.056 -42.802 549 1HG GLU 76 1HG GLU 76 -6.618 19.181 -44.107 550 2HG GLU 76 2HG GLU 76 -6.879 18.279 -42.618 551 HA PRO 77 HA PRO 77 -0.738 21.517 -42.046 552 1HB PRO 77 1HB PRO 77 -1.908 23.968 -43.230 553 2HB PRO 77 2HB PRO 77 -0.331 23.221 -43.496 554 1HG PRO 77 1HG PRO 77 -2.258 23.031 -45.334 555 2HG PRO 77 2HG PRO 77 -1.165 21.673 -45.007 556 1HD PRO 77 1HD PRO 77 -4.000 22.076 -44.148 557 2HD PRO 77 2HD PRO 77 -3.176 20.588 -44.656 558 H ILE 78 H ILE 78 -0.194 22.509 -40.247 559 HA ILE 78 HA ILE 78 -2.344 23.619 -38.610 560 HB ILE 78 HB ILE 78 -0.775 23.302 -36.709 561 1HG1 ILE 78 1HG1 ILE 78 0.946 21.943 -38.799 562 2HG1 ILE 78 2HG1 ILE 78 1.332 23.449 -37.978 563 1HG2 ILE 78 1HG2 ILE 78 -1.342 20.854 -38.376 564 2HG2 ILE 78 2HG2 ILE 78 -2.435 21.613 -37.217 565 3HG2 ILE 78 3HG2 ILE 78 -0.946 20.851 -36.657 566 1HD1 ILE 78 1HD1 ILE 78 1.084 20.740 -36.690 567 2HD1 ILE 78 2HD1 ILE 78 1.418 22.250 -35.844 568 3HD1 ILE 78 3HD1 ILE 78 2.577 21.625 -37.014 569 H ALA 79 H ALA 79 -1.697 25.393 -37.098 570 HA ALA 79 HA ALA 79 -0.524 27.535 -38.619 571 1HB ALA 79 1HB ALA 79 -1.587 27.531 -35.792 572 2HB ALA 79 2HB ALA 79 -2.524 27.908 -37.236 573 3HB ALA 79 3HB ALA 79 -1.191 28.956 -36.750 574 H ALA 80 H ALA 80 1.585 26.426 -38.711 575 HA ALA 80 HA ALA 80 3.358 27.516 -36.725 576 1HB ALA 80 1HB ALA 80 4.413 25.406 -36.114 577 2HB ALA 80 2HB ALA 80 3.235 24.522 -37.082 578 3HB ALA 80 3HB ALA 80 2.712 25.408 -35.650 579 H ALA 81 H ALA 81 5.013 28.295 -37.810 580 HA ALA 81 HA ALA 81 6.161 26.693 -39.992 581 1HB ALA 81 1HB ALA 81 6.674 28.738 -41.233 582 2HB ALA 81 2HB ALA 81 5.853 29.700 -40.005 583 3HB ALA 81 3HB ALA 81 4.936 28.563 -40.994 584 H ALA 82 H ALA 82 6.658 29.400 -37.757 585 HA ALA 82 HA ALA 82 9.037 28.213 -36.692 586 1HB ALA 82 1HB ALA 82 9.983 29.233 -38.711 587 2HB ALA 82 2HB ALA 82 10.567 30.036 -37.251 588 3HB ALA 82 3HB ALA 82 9.314 30.792 -38.236 Start of MODEL 16 1 1H MET 1 1H MET 1 -14.843 6.830 -11.229 2 HA MET 1 HA MET 1 -12.021 6.445 -11.352 3 1HB MET 1 1HB MET 1 -14.156 5.782 -13.388 4 2HB MET 1 2HB MET 1 -12.482 5.256 -13.470 5 1HG MET 1 1HG MET 1 -13.724 3.434 -12.647 6 2HG MET 1 2HG MET 1 -12.831 4.099 -11.282 7 1HE MET 1 1HE MET 1 -14.388 2.754 -9.586 8 2HE MET 1 2HE MET 1 -15.261 2.077 -10.961 9 3HE MET 1 3HE MET 1 -16.151 2.817 -9.630 10 H SER 2 H SER 2 -11.374 8.684 -11.416 11 HA SER 2 HA SER 2 -11.572 9.918 -14.052 12 1HB SER 2 1HB SER 2 -10.226 10.854 -11.504 13 2HB SER 2 2HB SER 2 -10.264 11.769 -13.011 14 HG SER 2 HG SER 2 -12.322 12.233 -12.714 15 H THR 3 H THR 3 -9.330 10.896 -14.783 16 HA THR 3 HA THR 3 -7.677 8.677 -15.406 17 HB THR 3 HB THR 3 -6.187 10.488 -16.408 18 HG1 THR 3 HG1 THR 3 -7.381 12.533 -16.638 19 1HG2 THR 3 1HG2 THR 3 -7.775 10.934 -18.239 20 2HG2 THR 3 2HG2 THR 3 -9.085 10.315 -17.229 21 3HG2 THR 3 3HG2 THR 3 -7.779 9.243 -17.742 22 H TYR 4 H TYR 4 -6.083 7.844 -14.240 23 HA TYR 4 HA TYR 4 -5.370 9.178 -11.765 24 1HB TYR 4 1HB TYR 4 -6.047 6.804 -11.772 25 2HB TYR 4 2HB TYR 4 -4.641 6.418 -12.758 26 HD1 TYR 4 HD1 TYR 4 -5.238 8.398 -9.637 27 HD2 TYR 4 HD2 TYR 4 -2.983 5.347 -11.567 28 HE1 TYR 4 HE1 TYR 4 -3.899 8.108 -7.601 29 HE2 TYR 4 HE2 TYR 4 -1.639 5.050 -9.528 30 HH TYR 4 HH TYR 4 -1.026 6.252 -7.537 31 H ASP 5 H ASP 5 -4.019 8.909 -14.858 32 HA ASP 5 HA ASP 5 -1.470 9.904 -13.846 33 1HB ASP 5 1HB ASP 5 -1.523 7.296 -14.353 34 2HB ASP 5 2HB ASP 5 -1.316 7.853 -16.011 35 H GLU 6 H GLU 6 -0.036 10.447 -15.883 36 HA GLU 6 HA GLU 6 -1.544 11.449 -18.141 37 1HB GLU 6 1HB GLU 6 -1.948 13.155 -16.386 38 2HB GLU 6 2HB GLU 6 -0.214 13.362 -16.205 39 1HG GLU 6 1HG GLU 6 -0.100 14.117 -18.555 40 2HG GLU 6 2HG GLU 6 -1.859 14.008 -18.640 41 H ILE 7 H ILE 7 -0.207 11.008 -19.835 42 HA ILE 7 HA ILE 7 2.686 11.419 -19.400 43 HB ILE 7 HB ILE 7 1.732 9.198 -21.182 44 1HG1 ILE 7 1HG1 ILE 7 2.562 7.802 -19.040 45 2HG1 ILE 7 2HG1 ILE 7 1.847 9.189 -18.221 46 1HG2 ILE 7 1HG2 ILE 7 4.026 9.919 -21.433 47 2HG2 ILE 7 2HG2 ILE 7 3.973 8.301 -20.735 48 3HG2 ILE 7 3HG2 ILE 7 4.313 9.693 -19.708 49 1HD1 ILE 7 1HD1 ILE 7 0.468 7.404 -20.206 50 2HD1 ILE 7 2HD1 ILE 7 -0.253 8.797 -19.397 51 3HD1 ILE 7 3HD1 ILE 7 0.245 7.388 -18.455 52 H GLU 8 H GLU 8 3.846 12.197 -21.142 53 HA GLU 8 HA GLU 8 2.427 13.549 -23.195 54 1HB GLU 8 1HB GLU 8 5.379 12.910 -23.023 55 2HB GLU 8 2HB GLU 8 4.644 14.064 -24.126 56 1HG GLU 8 1HG GLU 8 3.870 15.366 -22.172 57 2HG GLU 8 2HG GLU 8 4.743 14.244 -21.129 58 H ILE 9 H ILE 9 2.250 13.112 -25.342 59 HA ILE 9 HA ILE 9 1.836 10.511 -26.201 60 HB ILE 9 HB ILE 9 0.849 12.422 -27.319 61 1HG1 ILE 9 1HG1 ILE 9 2.677 10.937 -29.220 62 2HG1 ILE 9 2HG1 ILE 9 1.142 10.333 -28.608 63 1HG2 ILE 9 1HG2 ILE 9 2.647 14.019 -27.106 64 2HG2 ILE 9 2HG2 ILE 9 2.172 13.876 -28.798 65 3HG2 ILE 9 3HG2 ILE 9 3.645 13.093 -28.227 66 1HD1 ILE 9 1HD1 ILE 9 -0.020 12.173 -29.716 67 2HD1 ILE 9 2HD1 ILE 9 0.912 11.201 -30.855 68 3HD1 ILE 9 3HD1 ILE 9 1.522 12.771 -30.331 69 H GLU 10 H GLU 10 4.757 12.376 -26.160 70 HA GLU 10 HA GLU 10 6.288 10.981 -28.049 71 1HB GLU 10 1HB GLU 10 6.899 13.173 -27.086 72 2HB GLU 10 2HB GLU 10 7.219 12.393 -25.542 73 1HG GLU 10 1HG GLU 10 8.826 10.922 -27.063 74 2HG GLU 10 2HG GLU 10 8.806 12.390 -28.041 75 H ASP 11 H ASP 11 5.553 10.278 -24.679 76 HA ASP 11 HA ASP 11 7.690 8.319 -24.499 77 1HB ASP 11 1HB ASP 11 7.158 9.767 -22.565 78 2HB ASP 11 2HB ASP 11 5.568 9.021 -22.459 79 H MET 12 H MET 12 4.213 8.384 -24.884 80 HA MET 12 HA MET 12 3.733 5.637 -24.448 81 1HB MET 12 1HB MET 12 2.232 7.639 -26.143 82 2HB MET 12 2HB MET 12 1.659 6.015 -25.792 83 1HG MET 12 1HG MET 12 1.725 6.574 -23.378 84 2HG MET 12 2HG MET 12 2.133 8.232 -23.821 85 1HE MET 12 1HE MET 12 -0.286 5.788 -25.725 86 2HE MET 12 2HE MET 12 -1.837 6.190 -24.989 87 3HE MET 12 3HE MET 12 -0.588 5.394 -24.032 88 H THR 13 H THR 13 3.561 3.914 -25.864 89 HA THR 13 HA THR 13 5.438 3.901 -28.007 90 HB THR 13 HB THR 13 3.395 1.747 -27.490 91 HG1 THR 13 HG1 THR 13 5.874 1.659 -26.176 92 1HG2 THR 13 1HG2 THR 13 4.834 1.479 -29.451 93 2HG2 THR 13 2HG2 THR 13 5.212 0.270 -28.224 94 3HG2 THR 13 3HG2 THR 13 6.264 1.669 -28.434 95 H PHE 14 H PHE 14 5.041 4.566 -30.019 96 HA PHE 14 HA PHE 14 2.349 5.000 -30.939 97 1HB PHE 14 1HB PHE 14 3.425 5.815 -33.013 98 2HB PHE 14 2HB PHE 14 4.077 6.594 -31.577 99 HD1 PHE 14 HD1 PHE 14 6.326 5.886 -30.724 100 HD2 PHE 14 HD2 PHE 14 4.807 4.595 -34.488 101 HE1 PHE 14 HE1 PHE 14 8.601 5.282 -31.432 102 HE2 PHE 14 HE2 PHE 14 7.086 3.990 -35.200 103 HZ PHE 14 HZ PHE 14 8.984 4.330 -33.669 104 H GLU 15 H GLU 15 1.163 3.733 -32.255 105 HA GLU 15 HA GLU 15 2.501 1.371 -33.394 106 1HB GLU 15 1HB GLU 15 0.976 0.878 -31.445 107 2HB GLU 15 2HB GLU 15 -0.359 1.456 -32.430 108 1HG GLU 15 1HG GLU 15 0.083 -0.299 -34.067 109 2HG GLU 15 2HG GLU 15 1.430 -0.875 -33.088 110 HA PRO 16 HA PRO 16 0.868 3.812 -36.889 111 1HB PRO 16 1HB PRO 16 2.666 2.833 -38.690 112 2HB PRO 16 2HB PRO 16 3.017 4.191 -37.615 113 1HG PRO 16 1HG PRO 16 3.780 1.310 -37.341 114 2HG PRO 16 2HG PRO 16 4.740 2.764 -37.010 115 1HD PRO 16 1HD PRO 16 3.551 1.326 -35.049 116 2HD PRO 16 2HD PRO 16 3.778 3.084 -34.942 117 H GLU 17 H GLU 17 1.236 0.470 -36.309 118 HA GLU 17 HA GLU 17 0.170 -0.598 -38.694 119 1HB GLU 17 1HB GLU 17 -0.007 -1.749 -35.905 120 2HB GLU 17 2HB GLU 17 -0.153 -2.632 -37.418 121 1HG GLU 17 1HG GLU 17 2.169 -2.159 -37.941 122 2HG GLU 17 2HG GLU 17 2.323 -1.221 -36.455 123 H ASN 18 H ASN 18 -1.268 0.498 -35.681 124 HA ASN 18 HA ASN 18 -3.940 -0.032 -36.787 125 1HB ASN 18 1HB ASN 18 -3.040 -1.038 -34.521 126 2HB ASN 18 2HB ASN 18 -3.461 0.550 -33.892 127 1HD2 ASN 18 1HD2 ASN 18 -4.648 -2.383 -35.290 128 2HD2 ASN 18 2HD2 ASN 18 -6.320 -2.147 -34.871 129 H GLN 19 H GLN 19 -1.772 2.367 -36.480 130 HA GLN 19 HA GLN 19 -1.812 4.630 -36.529 131 1HB GLN 19 1HB GLN 19 -4.543 3.932 -37.520 132 2HB GLN 19 2HB GLN 19 -4.217 5.610 -37.110 133 1HG GLN 19 1HG GLN 19 -3.674 5.647 -39.309 134 2HG GLN 19 2HG GLN 19 -2.106 5.220 -38.634 135 1HE2 GLN 19 1HE2 GLN 19 -3.030 2.462 -38.067 136 2HE2 GLN 19 2HE2 GLN 19 -3.022 1.656 -39.594 137 H MET 20 H MET 20 -1.957 3.518 -34.024 138 HA MET 20 HA MET 20 -3.332 5.634 -32.580 139 1HB MET 20 1HB MET 20 -4.463 4.157 -31.046 140 2HB MET 20 2HB MET 20 -4.954 3.739 -32.681 141 1HG MET 20 1HG MET 20 -3.438 1.843 -32.671 142 2HG MET 20 2HG MET 20 -2.883 2.277 -31.057 143 1HE MET 20 1HE MET 20 -3.381 -0.161 -30.192 144 2HE MET 20 2HE MET 20 -3.943 -0.641 -31.794 145 3HE MET 20 3HE MET 20 -4.933 -0.979 -30.375 146 H PHE 21 H PHE 21 -2.779 5.356 -30.133 147 HA PHE 21 HA PHE 21 0.034 4.501 -29.936 148 1HB PHE 21 1HB PHE 21 -1.430 6.770 -28.586 149 2HB PHE 21 2HB PHE 21 0.124 6.177 -28.012 150 HD1 PHE 21 HD1 PHE 21 -1.586 7.683 -30.933 151 HD2 PHE 21 HD2 PHE 21 2.116 6.865 -29.002 152 HE1 PHE 21 HE1 PHE 21 -0.431 9.133 -32.545 153 HE2 PHE 21 HE2 PHE 21 3.279 8.317 -30.612 154 HZ PHE 21 HZ PHE 21 2.006 9.450 -32.388 155 H THR 22 H THR 22 0.655 3.272 -28.202 156 HA THR 22 HA THR 22 -1.430 2.543 -26.274 157 HB THR 22 HB THR 22 -0.601 0.179 -26.346 158 HG1 THR 22 HG1 THR 22 0.343 0.423 -28.921 159 1HG2 THR 22 1HG2 THR 22 -1.832 1.245 -28.890 160 2HG2 THR 22 2HG2 THR 22 -2.698 0.784 -27.425 161 3HG2 THR 22 3HG2 THR 22 -1.852 -0.440 -28.371 162 H TYR 23 H TYR 23 -0.699 2.007 -24.218 163 HA TYR 23 HA TYR 23 2.164 2.542 -23.763 164 1HB TYR 23 1HB TYR 23 0.392 4.279 -22.964 165 2HB TYR 23 2HB TYR 23 0.056 3.108 -21.692 166 HD1 TYR 23 HD1 TYR 23 3.004 4.723 -23.298 167 HD2 TYR 23 HD2 TYR 23 1.183 3.420 -19.685 168 HE1 TYR 23 HE1 TYR 23 4.900 5.627 -22.031 169 HE2 TYR 23 HE2 TYR 23 3.082 4.323 -18.398 170 HH TYR 23 HH TYR 23 5.519 6.320 -19.906 171 HA PRO 24 HA PRO 24 2.315 -1.608 -22.278 172 1HB PRO 24 1HB PRO 24 4.516 -1.298 -20.629 173 2HB PRO 24 2HB PRO 24 4.583 -1.598 -22.368 174 1HG PRO 24 1HG PRO 24 4.833 0.977 -20.876 175 2HG PRO 24 2HG PRO 24 5.724 0.414 -22.302 176 1HD PRO 24 1HD PRO 24 3.733 2.199 -22.508 177 2HD PRO 24 2HD PRO 24 4.000 0.962 -23.752 178 H CYS 25 H CYS 25 1.010 -2.427 -20.859 179 HA CYS 25 HA CYS 25 1.156 -1.635 -18.046 180 1HB CYS 25 1HB CYS 25 -0.772 -0.431 -18.866 181 2HB CYS 25 2HB CYS 25 -1.355 -1.853 -19.721 182 HA PRO 26 HA PRO 26 0.811 -6.102 -17.878 183 1HB PRO 26 1HB PRO 26 1.255 -6.251 -15.138 184 2HB PRO 26 2HB PRO 26 2.512 -6.211 -16.374 185 1HG PRO 26 1HG PRO 26 1.913 -4.211 -14.423 186 2HG PRO 26 2HG PRO 26 3.137 -4.149 -15.699 187 1HD PRO 26 1HD PRO 26 0.437 -2.947 -15.620 188 2HD PRO 26 2HD PRO 26 1.862 -2.463 -16.561 189 H CYS 27 H CYS 27 -1.136 -6.996 -18.013 190 HA CYS 27 HA CYS 27 -2.848 -7.435 -15.839 191 1HB CYS 27 1HB CYS 27 -4.771 -6.044 -16.443 192 2HB CYS 27 2HB CYS 27 -3.376 -5.024 -16.108 193 H GLY 28 H GLY 28 -2.923 -6.781 -19.299 194 1HA GLY 28 1HA GLY 28 -3.242 -9.375 -20.220 195 2HA GLY 28 2HA GLY 28 -4.862 -8.740 -19.953 196 H ASP 29 H ASP 29 -3.987 -5.986 -20.540 197 HA ASP 29 HA ASP 29 -3.190 -6.115 -23.352 198 1HB ASP 29 1HB ASP 29 -5.813 -6.014 -22.902 199 2HB ASP 29 2HB ASP 29 -5.464 -4.300 -22.700 200 H ARG 30 H ARG 30 -3.096 -3.650 -24.133 201 HA ARG 30 HA ARG 30 -1.633 -2.214 -22.006 202 1HB ARG 30 1HB ARG 30 -0.264 -1.235 -23.868 203 2HB ARG 30 2HB ARG 30 -0.058 -2.966 -23.641 204 1HG ARG 30 1HG ARG 30 -1.782 -3.238 -25.507 205 2HG ARG 30 2HG ARG 30 -1.513 -1.525 -25.831 206 1HD ARG 30 1HD ARG 30 0.616 -3.663 -25.810 207 2HD ARG 30 2HD ARG 30 -0.125 -2.977 -27.253 208 HE ARG 30 HE ARG 30 0.882 -0.826 -26.586 209 1HH1 ARG 30 1HH1 ARG 30 2.224 -3.815 -25.346 210 2HH1 ARG 30 2HH1 ARG 30 3.776 -3.121 -24.995 211 1HH2 ARG 30 1HH2 ARG 30 2.939 0.085 -26.145 212 2HH2 ARG 30 2HH2 ARG 30 4.194 -0.912 -25.464 213 H PHE 31 H PHE 31 -1.889 0.029 -21.852 214 HA PHE 31 HA PHE 31 -4.344 1.188 -22.237 215 1HB PHE 31 1HB PHE 31 -1.648 2.572 -22.325 216 2HB PHE 31 2HB PHE 31 -3.185 3.407 -22.175 217 HD1 PHE 31 HD1 PHE 31 -4.529 3.145 -20.113 218 HD2 PHE 31 HD2 PHE 31 -0.588 1.584 -20.465 219 HE1 PHE 31 HE1 PHE 31 -4.362 3.017 -17.665 220 HE2 PHE 31 HE2 PHE 31 -0.418 1.449 -18.014 221 HZ PHE 31 HZ PHE 31 -2.306 2.171 -16.609 222 H GLN 32 H GLN 32 -5.494 1.712 -24.029 223 HA GLN 32 HA GLN 32 -3.928 2.261 -26.458 224 1HB GLN 32 1HB GLN 32 -5.602 1.157 -27.791 225 2HB GLN 32 2HB GLN 32 -5.055 0.061 -26.535 226 1HG GLN 32 1HG GLN 32 -7.123 0.808 -25.233 227 2HG GLN 32 2HG GLN 32 -7.674 1.506 -26.754 228 1HE2 GLN 32 1HE2 GLN 32 -5.872 -1.497 -26.250 229 2HE2 GLN 32 2HE2 GLN 32 -7.096 -2.547 -26.876 230 H ILE 33 H ILE 33 -4.304 4.088 -27.482 231 HA ILE 33 HA ILE 33 -6.829 5.505 -26.994 232 HB ILE 33 HB ILE 33 -5.145 6.577 -25.598 233 1HG1 ILE 33 1HG1 ILE 33 -5.797 8.258 -28.030 234 2HG1 ILE 33 2HG1 ILE 33 -6.893 7.955 -26.686 235 1HG2 ILE 33 1HG2 ILE 33 -3.203 7.709 -26.587 236 2HG2 ILE 33 2HG2 ILE 33 -3.595 6.991 -28.150 237 3HG2 ILE 33 3HG2 ILE 33 -3.130 5.958 -26.797 238 1HD1 ILE 33 1HD1 ILE 33 -4.262 9.408 -26.531 239 2HD1 ILE 33 2HD1 ILE 33 -5.350 9.093 -25.178 240 3HD1 ILE 33 3HD1 ILE 33 -5.866 10.139 -26.501 241 H TYR 34 H TYR 34 -7.753 6.354 -28.792 242 HA TYR 34 HA TYR 34 -6.552 5.512 -31.305 243 1HB TYR 34 1HB TYR 34 -9.306 6.670 -30.865 244 2HB TYR 34 2HB TYR 34 -8.749 5.719 -32.240 245 HD1 TYR 34 HD1 TYR 34 -7.990 3.283 -31.724 246 HD2 TYR 34 HD2 TYR 34 -10.391 5.615 -29.095 247 HE1 TYR 34 HE1 TYR 34 -8.762 1.225 -30.618 248 HE2 TYR 34 HE2 TYR 34 -11.169 3.566 -27.980 249 HH TYR 34 HH TYR 34 -9.707 0.581 -28.341 250 H LEU 35 H LEU 35 -5.871 6.846 -32.883 251 HA LEU 35 HA LEU 35 -5.146 9.491 -32.271 252 1HB LEU 35 1HB LEU 35 -4.302 7.741 -34.076 253 2HB LEU 35 2HB LEU 35 -5.436 8.589 -35.105 254 HG LEU 35 HG LEU 35 -3.100 9.374 -35.337 255 1HD1 LEU 35 1HD1 LEU 35 -4.980 11.455 -34.247 256 2HD1 LEU 35 2HD1 LEU 35 -4.934 10.865 -35.909 257 3HD1 LEU 35 3HD1 LEU 35 -3.561 11.756 -35.252 258 1HD2 LEU 35 1HD2 LEU 35 -2.316 9.071 -33.086 259 2HD2 LEU 35 2HD2 LEU 35 -3.463 10.269 -32.486 260 3HD2 LEU 35 3HD2 LEU 35 -2.140 10.766 -33.541 261 H ASP 36 H ASP 36 -7.948 8.113 -33.798 262 HA ASP 36 HA ASP 36 -9.064 10.289 -35.100 263 1HB ASP 36 1HB ASP 36 -9.967 8.026 -35.251 264 2HB ASP 36 2HB ASP 36 -10.440 8.077 -33.558 265 H ASP 37 H ASP 37 -9.342 9.352 -31.697 266 HA ASP 37 HA ASP 37 -11.006 11.587 -31.012 267 1HB ASP 37 1HB ASP 37 -9.503 9.614 -29.282 268 2HB ASP 37 2HB ASP 37 -10.613 10.835 -28.665 269 H MET 38 H MET 38 -7.589 10.792 -30.781 270 HA MET 38 HA MET 38 -6.778 12.932 -29.166 271 1HB MET 38 1HB MET 38 -5.216 11.594 -31.380 272 2HB MET 38 2HB MET 38 -4.536 12.592 -30.105 273 1HG MET 38 1HG MET 38 -5.383 10.943 -28.446 274 2HG MET 38 2HG MET 38 -5.881 9.920 -29.793 275 1HE MET 38 1HE MET 38 -2.910 11.460 -27.794 276 2HE MET 38 2HE MET 38 -2.678 12.187 -29.385 277 3HE MET 38 3HE MET 38 -1.518 11.003 -28.778 278 H PHE 39 H PHE 39 -7.107 12.674 -32.671 279 HA PHE 39 HA PHE 39 -6.224 15.241 -33.363 280 1HB PHE 39 1HB PHE 39 -6.498 13.612 -35.083 281 2HB PHE 39 2HB PHE 39 -8.185 13.343 -34.658 282 HD1 PHE 39 HD1 PHE 39 -9.796 14.318 -35.954 283 HD2 PHE 39 HD2 PHE 39 -5.935 16.099 -35.789 284 HE1 PHE 39 HE1 PHE 39 -10.498 15.984 -37.619 285 HE2 PHE 39 HE2 PHE 39 -6.631 17.768 -37.457 286 HZ PHE 39 HZ PHE 39 -8.915 17.712 -38.372 287 H GLU 40 H GLU 40 -9.346 14.063 -32.282 288 HA GLU 40 HA GLU 40 -10.815 16.430 -32.801 289 1HB GLU 40 1HB GLU 40 -11.787 14.143 -32.468 290 2HB GLU 40 2HB GLU 40 -11.398 14.277 -30.761 291 1HG GLU 40 1HG GLU 40 -12.880 16.167 -30.528 292 2HG GLU 40 2HG GLU 40 -13.219 16.142 -32.258 293 H GLY 41 H GLY 41 -8.615 15.513 -30.332 294 1HA GLY 41 1HA GLY 41 -7.735 17.195 -28.846 295 2HA GLY 41 2HA GLY 41 -9.334 17.927 -28.805 296 H GLU 42 H GLU 42 -9.651 14.628 -28.727 297 HA GLU 42 HA GLU 42 -10.092 14.633 -25.832 298 1HB GLU 42 1HB GLU 42 -11.815 13.722 -27.437 299 2HB GLU 42 2HB GLU 42 -10.680 12.446 -27.845 300 1HG GLU 42 1HG GLU 42 -12.262 11.593 -26.277 301 2HG GLU 42 2HG GLU 42 -10.699 11.736 -25.473 302 H LYS 43 H LYS 43 -8.303 14.180 -24.655 303 HA LYS 43 HA LYS 43 -6.479 12.158 -25.770 304 1HB LYS 43 1HB LYS 43 -4.595 13.373 -24.732 305 2HB LYS 43 2HB LYS 43 -5.410 14.297 -25.982 306 1HG LYS 43 1HG LYS 43 -6.092 14.692 -23.093 307 2HG LYS 43 2HG LYS 43 -4.690 15.477 -23.811 308 1HD LYS 43 1HD LYS 43 -6.106 16.591 -25.434 309 2HD LYS 43 2HD LYS 43 -7.526 15.749 -24.813 310 1HE LYS 43 1HE LYS 43 -7.139 16.832 -22.615 311 2HE LYS 43 2HE LYS 43 -5.812 17.738 -23.337 312 1HZ LYS 43 1HZ LYS 43 -8.658 17.871 -24.184 313 2HZ LYS 43 2HZ LYS 43 -7.382 18.754 -24.873 314 3HZ LYS 43 3HZ LYS 43 -7.844 19.041 -23.265 315 H VAL 44 H VAL 44 -7.092 10.446 -24.667 316 HA VAL 44 HA VAL 44 -6.075 10.105 -22.038 317 HB VAL 44 HB VAL 44 -8.054 11.045 -21.172 318 1HG1 VAL 44 1HG1 VAL 44 -10.296 10.521 -21.951 319 2HG1 VAL 44 2HG1 VAL 44 -9.631 9.421 -23.159 320 3HG1 VAL 44 3HG1 VAL 44 -9.301 11.151 -23.263 321 1HG2 VAL 44 1HG2 VAL 44 -9.259 9.202 -20.127 322 2HG2 VAL 44 2HG2 VAL 44 -7.522 8.892 -20.142 323 3HG2 VAL 44 3HG2 VAL 44 -8.573 8.077 -21.298 324 H ALA 45 H ALA 45 -5.443 8.029 -21.845 325 HA ALA 45 HA ALA 45 -6.322 6.202 -23.967 326 1HB ALA 45 1HB ALA 45 -3.905 5.969 -22.180 327 2HB ALA 45 2HB ALA 45 -3.904 6.650 -23.807 328 3HB ALA 45 3HB ALA 45 -4.295 4.948 -23.562 329 H VAL 46 H VAL 46 -7.302 4.326 -23.544 330 HA VAL 46 HA VAL 46 -7.884 3.696 -20.717 331 HB VAL 46 HB VAL 46 -9.574 3.022 -23.142 332 1HG1 VAL 46 1HG1 VAL 46 -10.150 2.748 -20.196 333 2HG1 VAL 46 2HG1 VAL 46 -9.853 1.431 -21.333 334 3HG1 VAL 46 3HG1 VAL 46 -11.295 2.433 -21.499 335 1HG2 VAL 46 1HG2 VAL 46 -11.144 4.722 -22.333 336 2HG2 VAL 46 2HG2 VAL 46 -9.589 5.423 -22.776 337 3HG2 VAL 46 3HG2 VAL 46 -9.994 5.181 -21.077 338 H CYS 47 H CYS 47 -7.232 1.781 -20.003 339 HA CYS 47 HA CYS 47 -6.116 -0.098 -21.945 340 1HB CYS 47 1HB CYS 47 -4.761 0.726 -19.962 341 2HB CYS 47 2HB CYS 47 -5.848 -0.208 -18.935 342 HA PRO 48 HA PRO 48 -9.778 -2.578 -21.251 343 1HB PRO 48 1HB PRO 48 -9.015 -4.578 -22.949 344 2HB PRO 48 2HB PRO 48 -9.799 -3.091 -23.484 345 1HG PRO 48 1HG PRO 48 -6.934 -3.861 -23.591 346 2HG PRO 48 2HG PRO 48 -7.890 -2.914 -24.740 347 1HD PRO 48 1HD PRO 48 -6.134 -1.829 -22.937 348 2HD PRO 48 2HD PRO 48 -7.529 -0.964 -23.609 349 H SER 49 H SER 49 -10.177 -4.579 -20.237 350 HA SER 49 HA SER 49 -9.779 -6.491 -19.063 351 1HB SER 49 1HB SER 49 -7.824 -7.049 -20.426 352 2HB SER 49 2HB SER 49 -6.830 -5.943 -19.482 353 HG SER 49 HG SER 49 -6.527 -7.511 -18.145 354 H CYS 50 H CYS 50 -7.362 -3.963 -18.172 355 HA CYS 50 HA CYS 50 -8.090 -4.459 -15.383 356 1HB CYS 50 1HB CYS 50 -6.169 -3.202 -14.741 357 2HB CYS 50 2HB CYS 50 -5.675 -4.249 -16.063 358 H SER 51 H SER 51 -8.703 -2.261 -17.920 359 HA SER 51 HA SER 51 -10.227 -0.601 -18.133 360 1HB SER 51 1HB SER 51 -11.683 -2.049 -16.738 361 2HB SER 51 2HB SER 51 -11.037 -1.277 -15.293 362 HG SER 51 HG SER 51 -11.853 0.720 -16.133 363 H LEU 52 H LEU 52 -7.646 0.105 -17.542 364 HA LEU 52 HA LEU 52 -7.757 2.159 -15.481 365 1HB LEU 52 1HB LEU 52 -5.762 0.433 -16.290 366 2HB LEU 52 2HB LEU 52 -5.326 1.918 -17.104 367 HG LEU 52 HG LEU 52 -4.115 1.848 -15.069 368 1HD1 LEU 52 1HD1 LEU 52 -4.946 4.046 -15.598 369 2HD1 LEU 52 2HD1 LEU 52 -4.921 3.810 -13.849 370 3HD1 LEU 52 3HD1 LEU 52 -6.445 3.713 -14.731 371 1HD2 LEU 52 1HD2 LEU 52 -5.432 0.180 -13.909 372 2HD2 LEU 52 2HD2 LEU 52 -6.726 1.354 -13.666 373 3HD2 LEU 52 3HD2 LEU 52 -5.164 1.592 -12.885 374 H MET 53 H MET 53 -7.360 4.299 -15.981 375 HA MET 53 HA MET 53 -7.303 5.095 -18.792 376 1HB MET 53 1HB MET 53 -9.343 6.045 -16.774 377 2HB MET 53 2HB MET 53 -9.057 6.834 -18.319 378 1HG MET 53 1HG MET 53 -9.844 4.962 -19.526 379 2HG MET 53 2HG MET 53 -9.838 3.946 -18.085 380 1HE MET 53 1HE MET 53 -11.585 4.091 -16.149 381 2HE MET 53 2HE MET 53 -12.787 5.376 -16.005 382 3HE MET 53 3HE MET 53 -11.069 5.755 -15.883 383 H ILE 54 H ILE 54 -6.059 6.838 -19.161 384 HA ILE 54 HA ILE 54 -5.375 8.616 -16.952 385 HB ILE 54 HB ILE 54 -3.044 8.453 -17.109 386 1HG1 ILE 54 1HG1 ILE 54 -2.920 8.333 -19.590 387 2HG1 ILE 54 2HG1 ILE 54 -1.794 7.252 -18.780 388 1HG2 ILE 54 1HG2 ILE 54 -2.505 6.084 -16.687 389 2HG2 ILE 54 2HG2 ILE 54 -4.105 5.638 -17.282 390 3HG2 ILE 54 3HG2 ILE 54 -3.950 6.622 -15.828 391 1HD1 ILE 54 1HD1 ILE 54 -4.392 6.496 -20.081 392 2HD1 ILE 54 2HD1 ILE 54 -3.334 5.389 -19.206 393 3HD1 ILE 54 3HD1 ILE 54 -2.766 6.167 -20.682 394 H ASP 55 H ASP 55 -4.506 10.628 -17.647 395 HA ASP 55 HA ASP 55 -5.533 11.499 -20.189 396 1HB ASP 55 1HB ASP 55 -4.452 12.736 -17.756 397 2HB ASP 55 2HB ASP 55 -3.965 13.564 -19.228 398 H VAL 56 H VAL 56 -4.283 12.422 -21.869 399 HA VAL 56 HA VAL 56 -1.432 11.673 -21.847 400 HB VAL 56 HB VAL 56 -3.308 11.524 -24.205 401 1HG1 VAL 56 1HG1 VAL 56 -0.392 10.800 -24.003 402 2HG1 VAL 56 2HG1 VAL 56 -1.064 12.170 -24.886 403 3HG1 VAL 56 3HG1 VAL 56 -1.421 10.525 -25.410 404 1HG2 VAL 56 1HG2 VAL 56 -3.684 9.720 -22.604 405 2HG2 VAL 56 2HG2 VAL 56 -1.971 9.303 -22.681 406 3HG2 VAL 56 3HG2 VAL 56 -2.988 9.120 -24.110 407 H VAL 57 H VAL 57 -0.020 13.163 -22.721 408 HA VAL 57 HA VAL 57 -1.175 15.789 -23.385 409 HB VAL 57 HB VAL 57 1.681 15.108 -22.653 410 1HG1 VAL 57 1HG1 VAL 57 0.315 17.775 -22.985 411 2HG1 VAL 57 2HG1 VAL 57 1.535 17.087 -24.057 412 3HG1 VAL 57 3HG1 VAL 57 1.962 17.533 -22.405 413 1HG2 VAL 57 1HG2 VAL 57 1.181 16.215 -20.513 414 2HG2 VAL 57 2HG2 VAL 57 0.216 14.759 -20.758 415 3HG2 VAL 57 3HG2 VAL 57 -0.509 16.349 -20.997 416 H PHE 58 H PHE 58 -1.464 16.043 -25.501 417 HA PHE 58 HA PHE 58 0.567 14.922 -27.332 418 1HB PHE 58 1HB PHE 58 -1.115 14.589 -28.982 419 2HB PHE 58 2HB PHE 58 -1.794 13.972 -27.483 420 HD1 PHE 58 HD1 PHE 58 -3.470 15.388 -26.240 421 HD2 PHE 58 HD2 PHE 58 -2.161 16.313 -30.181 422 HE1 PHE 58 HE1 PHE 58 -5.439 16.828 -26.556 423 HE2 PHE 58 HE2 PHE 58 -4.126 17.760 -30.501 424 HZ PHE 58 HZ PHE 58 -5.768 18.017 -28.686 425 H ASP 59 H ASP 59 0.833 16.175 -29.376 426 HA ASP 59 HA ASP 59 0.134 19.014 -29.109 427 1HB ASP 59 1HB ASP 59 2.596 18.416 -28.453 428 2HB ASP 59 2HB ASP 59 2.825 18.226 -30.183 429 H LYS 60 H LYS 60 0.182 20.158 -31.129 430 HA LYS 60 HA LYS 60 -0.889 18.714 -33.304 431 1HB LYS 60 1HB LYS 60 0.187 21.524 -33.051 432 2HB LYS 60 2HB LYS 60 -0.468 20.900 -34.557 433 1HG LYS 60 1HG LYS 60 -2.181 22.149 -33.488 434 2HG LYS 60 2HG LYS 60 -2.607 20.445 -33.354 435 1HD LYS 60 1HD LYS 60 -1.676 20.447 -31.051 436 2HD LYS 60 2HD LYS 60 -1.399 22.184 -31.203 437 1HE LYS 60 1HE LYS 60 -3.800 22.530 -31.552 438 2HE LYS 60 2HE LYS 60 -4.069 20.794 -31.405 439 1HZ LYS 60 1HZ LYS 60 -4.575 21.904 -29.340 440 2HZ LYS 60 2HZ LYS 60 -3.026 22.589 -29.275 441 3HZ LYS 60 3HZ LYS 60 -3.215 20.913 -29.125 442 H GLU 61 H GLU 61 2.322 19.825 -32.456 443 HA GLU 61 HA GLU 61 3.655 19.327 -34.873 444 1HB GLU 61 1HB GLU 61 4.748 18.922 -32.084 445 2HB GLU 61 2HB GLU 61 5.685 19.189 -33.545 446 1HG GLU 61 1HG GLU 61 4.707 21.438 -33.729 447 2HG GLU 61 2HG GLU 61 3.845 21.161 -32.216 448 H ASP 62 H ASP 62 3.251 17.247 -32.015 449 HA ASP 62 HA ASP 62 4.597 15.015 -33.044 450 1HB ASP 62 1HB ASP 62 2.430 15.173 -30.944 451 2HB ASP 62 2HB ASP 62 3.406 13.742 -31.258 452 H LEU 63 H LEU 63 1.151 15.846 -33.075 453 HA LEU 63 HA LEU 63 0.211 13.432 -34.134 454 1HB LEU 63 1HB LEU 63 -0.891 16.222 -34.401 455 2HB LEU 63 2HB LEU 63 -1.738 14.786 -34.939 456 HG LEU 63 HG LEU 63 -1.040 15.551 -32.109 457 1HD1 LEU 63 1HD1 LEU 63 -3.660 15.052 -33.515 458 2HD1 LEU 63 2HD1 LEU 63 -3.012 16.623 -33.044 459 3HD1 LEU 63 3HD1 LEU 63 -3.466 15.450 -31.808 460 1HD2 LEU 63 1HD2 LEU 63 -2.059 13.449 -31.411 461 2HD2 LEU 63 2HD2 LEU 63 -0.635 13.157 -32.410 462 3HD2 LEU 63 3HD2 LEU 63 -2.248 12.968 -33.098 463 H ALA 64 H ALA 64 1.136 16.433 -35.821 464 HA ALA 64 HA ALA 64 0.521 15.560 -38.415 465 1HB ALA 64 1HB ALA 64 2.659 17.528 -37.612 466 2HB ALA 64 2HB ALA 64 0.946 17.908 -37.794 467 3HB ALA 64 3HB ALA 64 1.891 17.396 -39.193 468 H GLU 65 H GLU 65 3.421 15.195 -36.476 469 HA GLU 65 HA GLU 65 5.137 14.225 -38.503 470 1HB GLU 65 1HB GLU 65 5.833 15.111 -36.255 471 2HB GLU 65 2HB GLU 65 5.232 13.626 -35.537 472 1HG GLU 65 1HG GLU 65 7.587 13.436 -35.745 473 2HG GLU 65 2HG GLU 65 6.855 12.369 -36.945 474 H TYR 66 H TYR 66 3.299 12.519 -35.971 475 HA TYR 66 HA TYR 66 3.975 9.938 -36.936 476 1HB TYR 66 1HB TYR 66 1.929 10.925 -34.967 477 2HB TYR 66 2HB TYR 66 2.036 9.223 -35.411 478 HD1 TYR 66 HD1 TYR 66 4.506 8.242 -35.303 479 HD2 TYR 66 HD2 TYR 66 3.139 11.616 -33.097 480 HE1 TYR 66 HE1 TYR 66 6.311 7.899 -33.673 481 HE2 TYR 66 HE2 TYR 66 4.947 11.279 -31.459 482 HH TYR 66 HH TYR 66 6.355 9.289 -30.667 483 H TYR 67 H TYR 67 1.270 12.098 -37.511 484 HA TYR 67 HA TYR 67 -0.477 10.434 -38.845 485 1HB TYR 67 1HB TYR 67 -1.454 12.461 -38.754 486 2HB TYR 67 2HB TYR 67 0.083 13.309 -38.791 487 HD1 TYR 67 HD1 TYR 67 -2.268 11.478 -41.068 488 HD2 TYR 67 HD2 TYR 67 0.619 14.574 -40.625 489 HE1 TYR 67 HE1 TYR 67 -2.700 12.209 -43.380 490 HE2 TYR 67 HE2 TYR 67 0.199 15.310 -42.926 491 HH TYR 67 HH TYR 67 -0.657 14.370 -45.024 492 H GLU 68 H GLU 68 2.352 12.112 -40.176 493 HA GLU 68 HA GLU 68 2.029 11.125 -42.810 494 1HB GLU 68 1HB GLU 68 4.357 12.276 -41.291 495 2HB GLU 68 2HB GLU 68 4.536 11.704 -42.945 496 1HG GLU 68 1HG GLU 68 2.518 13.774 -42.127 497 2HG GLU 68 2HG GLU 68 4.151 14.170 -42.656 498 H GLU 69 H GLU 69 3.968 10.026 -40.061 499 HA GLU 69 HA GLU 69 5.343 7.960 -41.365 500 1HB GLU 69 1HB GLU 69 4.599 8.329 -38.465 501 2HB GLU 69 2HB GLU 69 5.666 7.051 -39.036 502 1HG GLU 69 1HG GLU 69 6.134 10.011 -39.351 503 2HG GLU 69 2HG GLU 69 6.910 8.961 -38.165 504 H ALA 70 H ALA 70 2.361 7.848 -39.440 505 HA ALA 70 HA ALA 70 2.053 5.016 -39.841 506 1HB ALA 70 1HB ALA 70 1.279 6.097 -37.787 507 2HB ALA 70 2HB ALA 70 -0.043 5.278 -38.620 508 3HB ALA 70 3HB ALA 70 0.110 7.033 -38.717 509 H GLY 71 H GLY 71 1.160 7.849 -41.563 510 1HA GLY 71 1HA GLY 71 0.141 8.041 -43.635 511 2HA GLY 71 2HA GLY 71 -0.091 6.295 -43.639 512 H ILE 72 H ILE 72 -1.136 8.835 -41.414 513 HA ILE 72 HA ILE 72 -3.690 7.514 -41.105 514 HB ILE 72 HB ILE 72 -2.870 10.134 -39.846 515 1HG1 ILE 72 1HG1 ILE 72 -2.253 7.328 -38.894 516 2HG1 ILE 72 2HG1 ILE 72 -1.077 8.518 -39.438 517 1HG2 ILE 72 1HG2 ILE 72 -4.368 9.422 -38.049 518 2HG2 ILE 72 2HG2 ILE 72 -4.727 7.941 -38.935 519 3HG2 ILE 72 3HG2 ILE 72 -5.213 9.503 -39.594 520 1HD1 ILE 72 1HD1 ILE 72 -1.088 8.356 -37.025 521 2HD1 ILE 72 2HD1 ILE 72 -2.811 8.732 -36.988 522 3HD1 ILE 72 3HD1 ILE 72 -1.655 9.947 -37.536 523 H HIS 73 H HIS 73 -5.717 8.863 -41.146 524 HA HIS 73 HA HIS 73 -6.130 9.986 -43.684 525 1HB HIS 73 1HB HIS 73 -7.861 8.953 -42.137 526 2HB HIS 73 2HB HIS 73 -7.847 10.471 -41.248 527 HD1 HIS 73 HD1 HIS 73 -8.967 8.932 -44.459 528 HD2 HIS 73 HD2 HIS 73 -9.164 12.605 -42.512 529 HE1 HIS 73 HE1 HIS 73 -10.642 10.294 -45.746 530 HE2 HIS 73 HE2 HIS 73 -10.610 12.565 -44.661 531 HA PRO 74 HA PRO 74 -4.374 14.024 -43.441 532 1HB PRO 74 1HB PRO 74 -6.468 15.251 -44.906 533 2HB PRO 74 2HB PRO 74 -4.926 14.662 -45.527 534 1HG PRO 74 1HG PRO 74 -7.591 13.355 -45.531 535 2HG PRO 74 2HG PRO 74 -6.260 13.211 -46.693 536 1HD PRO 74 1HD PRO 74 -6.813 11.244 -44.966 537 2HD PRO 74 2HD PRO 74 -5.135 11.641 -45.400 538 HA PRO 75 HA PRO 75 -6.860 15.744 -40.125 539 1HB PRO 75 1HB PRO 75 -4.851 16.943 -38.856 540 2HB PRO 75 2HB PRO 75 -4.990 15.180 -38.862 541 1HG PRO 75 1HG PRO 75 -3.196 16.947 -40.468 542 2HG PRO 75 2HG PRO 75 -2.851 15.375 -39.722 543 1HD PRO 75 1HD PRO 75 -3.507 15.792 -42.399 544 2HD PRO 75 2HD PRO 75 -3.600 14.241 -41.544 545 H GLU 76 H GLU 76 -7.288 17.943 -39.338 546 HA GLU 76 HA GLU 76 -7.317 19.906 -41.414 547 1HB GLU 76 1HB GLU 76 -7.938 20.137 -38.457 548 2HB GLU 76 2HB GLU 76 -8.264 21.387 -39.649 549 1HG GLU 76 1HG GLU 76 -9.860 19.983 -40.764 550 2HG GLU 76 2HG GLU 76 -9.455 18.624 -39.717 551 HA PRO 77 HA PRO 77 -3.254 21.528 -41.115 552 1HB PRO 77 1HB PRO 77 -4.614 24.173 -41.322 553 2HB PRO 77 2HB PRO 77 -3.259 23.528 -42.253 554 1HG PRO 77 1HG PRO 77 -5.700 23.618 -43.299 555 2HG PRO 77 2HG PRO 77 -4.633 22.236 -43.602 556 1HD PRO 77 1HD PRO 77 -7.008 22.437 -41.818 557 2HD PRO 77 2HD PRO 77 -6.401 21.046 -42.737 558 H ILE 78 H ILE 78 -1.892 22.281 -39.612 559 HA ILE 78 HA ILE 78 -3.082 23.089 -37.059 560 HB ILE 78 HB ILE 78 -0.969 22.365 -36.025 561 1HG1 ILE 78 1HG1 ILE 78 -0.184 21.421 -38.793 562 2HG1 ILE 78 2HG1 ILE 78 0.474 22.855 -38.009 563 1HG2 ILE 78 1HG2 ILE 78 -2.791 20.766 -36.240 564 2HG2 ILE 78 2HG2 ILE 78 -1.234 19.954 -36.405 565 3HG2 ILE 78 3HG2 ILE 78 -2.209 20.291 -37.836 566 1HD1 ILE 78 1HD1 ILE 78 1.359 21.427 -36.214 567 2HD1 ILE 78 2HD1 ILE 78 2.007 21.008 -37.800 568 3HD1 ILE 78 3HD1 ILE 78 0.750 20.009 -37.067 569 H ALA 79 H ALA 79 -2.146 24.792 -35.845 570 HA ALA 79 HA ALA 79 -0.944 26.849 -37.526 571 1HB ALA 79 1HB ALA 79 -2.062 27.025 -34.727 572 2HB ALA 79 2HB ALA 79 -2.905 27.470 -36.213 573 3HB ALA 79 3HB ALA 79 -1.488 28.384 -35.693 574 H ALA 80 H ALA 80 1.136 25.890 -37.651 575 HA ALA 80 HA ALA 80 2.681 25.555 -35.234 576 1HB ALA 80 1HB ALA 80 3.008 24.035 -37.123 577 2HB ALA 80 2HB ALA 80 4.496 24.887 -36.707 578 3HB ALA 80 3HB ALA 80 3.556 25.387 -38.114 579 H ALA 81 H ALA 81 2.812 27.565 -34.299 580 HA ALA 81 HA ALA 81 4.140 29.663 -35.878 581 1HB ALA 81 1HB ALA 81 3.270 31.254 -34.244 582 2HB ALA 81 2HB ALA 81 2.523 29.932 -33.347 583 3HB ALA 81 3HB ALA 81 1.971 30.314 -34.979 584 H ALA 82 H ALA 82 4.052 28.328 -32.575 585 HA ALA 82 HA ALA 82 6.891 28.137 -32.404 586 1HB ALA 82 1HB ALA 82 5.559 30.321 -30.796 587 2HB ALA 82 2HB ALA 82 6.720 30.555 -32.104 588 3HB ALA 82 3HB ALA 82 7.226 29.780 -30.602 Start of MODEL 17 1 1H MET 1 1H MET 1 -13.306 6.262 -11.962 2 HA MET 1 HA MET 1 -13.605 5.603 -14.821 3 1HB MET 1 1HB MET 1 -15.492 7.121 -13.010 4 2HB MET 1 2HB MET 1 -15.659 7.055 -14.759 5 1HG MET 1 1HG MET 1 -15.899 4.616 -14.625 6 2HG MET 1 2HG MET 1 -15.773 4.715 -12.871 7 1HE MET 1 1HE MET 1 -17.435 7.367 -12.230 8 2HE MET 1 2HE MET 1 -17.585 5.869 -11.315 9 3HE MET 1 3HE MET 1 -19.029 6.677 -11.920 10 H SER 2 H SER 2 -11.800 7.323 -12.886 11 HA SER 2 HA SER 2 -11.782 9.723 -14.579 12 1HB SER 2 1HB SER 2 -10.663 10.752 -12.471 13 2HB SER 2 2HB SER 2 -12.410 10.503 -12.459 14 HG SER 2 HG SER 2 -11.431 9.742 -10.532 15 H THR 3 H THR 3 -9.642 10.709 -14.845 16 HA THR 3 HA THR 3 -7.652 8.667 -15.327 17 HB THR 3 HB THR 3 -6.383 10.601 -16.361 18 HG1 THR 3 HG1 THR 3 -7.310 12.550 -16.456 19 1HG2 THR 3 1HG2 THR 3 -7.854 10.694 -18.337 20 2HG2 THR 3 2HG2 THR 3 -9.152 9.974 -17.383 21 3HG2 THR 3 3HG2 THR 3 -7.682 9.056 -17.707 22 H TYR 4 H TYR 4 -5.859 8.335 -14.177 23 HA TYR 4 HA TYR 4 -5.571 9.841 -11.702 24 1HB TYR 4 1HB TYR 4 -5.629 7.349 -11.691 25 2HB TYR 4 2HB TYR 4 -4.124 7.343 -12.602 26 HD1 TYR 4 HD1 TYR 4 -5.663 8.020 -9.337 27 HD2 TYR 4 HD2 TYR 4 -2.014 7.853 -11.522 28 HE1 TYR 4 HE1 TYR 4 -4.402 8.086 -7.227 29 HE2 TYR 4 HE2 TYR 4 -0.744 7.915 -9.418 30 HH TYR 4 HH TYR 4 -1.969 7.228 -6.503 31 H ASP 5 H ASP 5 -3.953 9.471 -14.761 32 HA ASP 5 HA ASP 5 -1.702 11.082 -13.761 33 1HB ASP 5 1HB ASP 5 -1.287 8.511 -13.899 34 2HB ASP 5 2HB ASP 5 -1.225 8.778 -15.635 35 H GLU 6 H GLU 6 -0.306 11.832 -15.626 36 HA GLU 6 HA GLU 6 -1.551 11.930 -18.245 37 1HB GLU 6 1HB GLU 6 -2.525 13.923 -17.160 38 2HB GLU 6 2HB GLU 6 -0.914 14.477 -16.720 39 1HG GLU 6 1HG GLU 6 -0.335 14.718 -19.075 40 2HG GLU 6 2HG GLU 6 -1.928 14.127 -19.537 41 H ILE 7 H ILE 7 0.102 11.228 -19.464 42 HA ILE 7 HA ILE 7 2.830 12.045 -18.684 43 HB ILE 7 HB ILE 7 2.279 9.611 -20.363 44 1HG1 ILE 7 1HG1 ILE 7 2.741 8.438 -18.017 45 2HG1 ILE 7 2HG1 ILE 7 1.963 9.898 -17.411 46 1HG2 ILE 7 1HG2 ILE 7 4.557 10.433 -20.299 47 2HG2 ILE 7 2HG2 ILE 7 4.438 8.885 -19.461 48 3HG2 ILE 7 3HG2 ILE 7 4.545 10.382 -18.536 49 1HD1 ILE 7 1HD1 ILE 7 0.413 8.004 -17.729 50 2HD1 ILE 7 2HD1 ILE 7 0.763 8.048 -19.459 51 3HD1 ILE 7 3HD1 ILE 7 -0.017 9.425 -18.681 52 H GLU 8 H GLU 8 4.375 12.349 -20.422 53 HA GLU 8 HA GLU 8 3.438 13.906 -22.557 54 1HB GLU 8 1HB GLU 8 6.076 12.507 -22.126 55 2HB GLU 8 2HB GLU 8 5.771 13.610 -23.461 56 1HG GLU 8 1HG GLU 8 5.507 14.363 -20.560 57 2HG GLU 8 2HG GLU 8 6.962 14.617 -21.522 58 H ILE 9 H ILE 9 3.378 13.521 -24.782 59 HA ILE 9 HA ILE 9 2.242 11.085 -25.581 60 HB ILE 9 HB ILE 9 1.816 13.238 -26.707 61 1HG1 ILE 9 1HG1 ILE 9 2.962 11.214 -28.635 62 2HG1 ILE 9 2HG1 ILE 9 1.414 11.026 -27.817 63 1HG2 ILE 9 1HG2 ILE 9 4.066 14.151 -26.688 64 2HG2 ILE 9 2HG2 ILE 9 3.421 14.126 -28.330 65 3HG2 ILE 9 3HG2 ILE 9 4.597 12.912 -27.825 66 1HD1 ILE 9 1HD1 ILE 9 1.146 11.864 -30.095 67 2HD1 ILE 9 2HD1 ILE 9 2.137 13.267 -29.696 68 3HD1 ILE 9 3HD1 ILE 9 0.577 13.035 -28.905 69 H GLU 10 H GLU 10 5.526 12.180 -25.510 70 HA GLU 10 HA GLU 10 6.707 10.456 -27.388 71 1HB GLU 10 1HB GLU 10 7.989 11.477 -24.856 72 2HB GLU 10 2HB GLU 10 8.790 11.036 -26.355 73 1HG GLU 10 1HG GLU 10 7.905 12.935 -27.478 74 2HG GLU 10 2HG GLU 10 6.849 13.316 -26.117 75 H ASP 11 H ASP 11 5.688 9.971 -24.095 76 HA ASP 11 HA ASP 11 7.321 7.656 -23.646 77 1HB ASP 11 1HB ASP 11 5.089 8.934 -22.069 78 2HB ASP 11 2HB ASP 11 5.957 7.501 -21.530 79 H MET 12 H MET 12 3.980 8.290 -24.503 80 HA MET 12 HA MET 12 3.030 5.644 -24.411 81 1HB MET 12 1HB MET 12 2.237 7.963 -26.188 82 2HB MET 12 2HB MET 12 1.362 6.441 -26.115 83 1HG MET 12 1HG MET 12 1.804 8.231 -23.741 84 2HG MET 12 2HG MET 12 0.376 8.291 -24.770 85 1HE MET 12 1HE MET 12 -0.109 5.224 -25.460 86 2HE MET 12 2HE MET 12 -1.381 6.353 -24.991 87 3HE MET 12 3HE MET 12 -1.246 4.793 -24.179 88 H THR 13 H THR 13 3.716 3.934 -25.547 89 HA THR 13 HA THR 13 5.632 4.245 -27.635 90 HB THR 13 HB THR 13 4.177 1.734 -26.805 91 HG1 THR 13 HG1 THR 13 5.959 3.259 -25.469 92 1HG2 THR 13 1HG2 THR 13 6.154 0.589 -27.712 93 2HG2 THR 13 2HG2 THR 13 6.823 2.143 -28.207 94 3HG2 THR 13 3HG2 THR 13 5.342 1.544 -28.951 95 H PHE 14 H PHE 14 5.049 4.951 -29.541 96 HA PHE 14 HA PHE 14 2.402 4.680 -30.564 97 1HB PHE 14 1HB PHE 14 3.336 5.837 -32.574 98 2HB PHE 14 2HB PHE 14 3.611 6.696 -31.065 99 HD1 PHE 14 HD1 PHE 14 5.863 6.784 -30.086 100 HD2 PHE 14 HD2 PHE 14 5.137 4.999 -33.882 101 HE1 PHE 14 HE1 PHE 14 8.267 6.910 -30.598 102 HE2 PHE 14 HE2 PHE 14 7.537 5.115 -34.400 103 HZ PHE 14 HZ PHE 14 9.107 6.071 -32.758 104 H GLU 15 H GLU 15 1.607 3.346 -32.048 105 HA GLU 15 HA GLU 15 3.448 1.398 -33.238 106 1HB GLU 15 1HB GLU 15 0.620 1.098 -32.289 107 2HB GLU 15 2HB GLU 15 1.278 0.012 -33.505 108 1HG GLU 15 1HG GLU 15 3.143 -0.480 -31.887 109 2HG GLU 15 2HG GLU 15 2.210 0.398 -30.678 110 HA PRO 16 HA PRO 16 2.249 3.857 -36.826 111 1HB PRO 16 1HB PRO 16 4.144 2.791 -38.475 112 2HB PRO 16 2HB PRO 16 4.480 4.089 -37.323 113 1HG PRO 16 1HG PRO 16 4.978 1.149 -37.065 114 2HG PRO 16 2HG PRO 16 6.027 2.505 -36.612 115 1HD PRO 16 1HD PRO 16 4.567 1.157 -34.792 116 2HD PRO 16 2HD PRO 16 4.882 2.899 -34.643 117 H GLU 17 H GLU 17 2.177 0.498 -36.286 118 HA GLU 17 HA GLU 17 0.898 -0.081 -38.845 119 1HB GLU 17 1HB GLU 17 1.271 -1.940 -36.492 120 2HB GLU 17 2HB GLU 17 0.917 -2.380 -38.157 121 1HG GLU 17 1HG GLU 17 3.106 -1.622 -38.854 122 2HG GLU 17 2HG GLU 17 3.464 -1.087 -37.213 123 H ASN 18 H ASN 18 0.170 0.244 -35.434 124 HA ASN 18 HA ASN 18 -2.604 -0.565 -35.793 125 1HB ASN 18 1HB ASN 18 -1.066 -1.191 -33.812 126 2HB ASN 18 2HB ASN 18 -1.357 0.445 -33.241 127 1HD2 ASN 18 1HD2 ASN 18 -3.823 -1.312 -34.937 128 2HD2 ASN 18 2HD2 ASN 18 -4.835 -1.596 -33.565 129 H GLN 19 H GLN 19 -0.797 2.201 -36.012 130 HA GLN 19 HA GLN 19 -1.369 4.272 -36.748 131 1HB GLN 19 1HB GLN 19 -4.242 3.423 -36.352 132 2HB GLN 19 2HB GLN 19 -3.718 4.915 -37.112 133 1HG GLN 19 1HG GLN 19 -3.437 2.108 -38.139 134 2HG GLN 19 2HG GLN 19 -4.329 3.453 -38.845 135 1HE2 GLN 19 1HE2 GLN 19 -1.276 1.927 -38.494 136 2HE2 GLN 19 2HE2 GLN 19 -0.410 2.925 -39.611 137 H MET 20 H MET 20 -1.140 3.486 -33.776 138 HA MET 20 HA MET 20 -1.981 6.029 -32.732 139 1HB MET 20 1HB MET 20 -3.622 5.232 -31.134 140 2HB MET 20 2HB MET 20 -4.130 4.839 -32.771 141 1HG MET 20 1HG MET 20 -3.369 2.551 -32.473 142 2HG MET 20 2HG MET 20 -2.834 2.934 -30.838 143 1HE MET 20 1HE MET 20 -4.250 0.941 -29.816 144 2HE MET 20 2HE MET 20 -4.596 0.543 -31.500 145 3HE MET 20 3HE MET 20 -5.912 0.607 -30.319 146 H PHE 21 H PHE 21 -1.876 5.919 -30.200 147 HA PHE 21 HA PHE 21 0.786 4.846 -29.632 148 1HB PHE 21 1HB PHE 21 -0.885 6.970 -28.273 149 2HB PHE 21 2HB PHE 21 0.654 6.394 -27.644 150 HD1 PHE 21 HD1 PHE 21 -0.957 8.221 -30.406 151 HD2 PHE 21 HD2 PHE 21 2.710 7.118 -28.565 152 HE1 PHE 21 HE1 PHE 21 0.230 9.875 -31.790 153 HE2 PHE 21 HE2 PHE 21 3.908 8.765 -29.945 154 HZ PHE 21 HZ PHE 21 2.665 10.147 -31.561 155 H THR 22 H THR 22 1.093 3.246 -28.224 156 HA THR 22 HA THR 22 -1.123 2.521 -26.432 157 HB THR 22 HB THR 22 -0.404 0.114 -26.759 158 HG1 THR 22 HG1 THR 22 1.524 1.217 -28.141 159 1HG2 THR 22 1HG2 THR 22 -1.519 1.571 -29.158 160 2HG2 THR 22 2HG2 THR 22 -2.446 1.013 -27.766 161 3HG2 THR 22 3HG2 THR 22 -1.674 -0.156 -28.839 162 H TYR 23 H TYR 23 -0.565 2.000 -24.374 163 HA TYR 23 HA TYR 23 2.293 2.159 -23.711 164 1HB TYR 23 1HB TYR 23 0.734 3.930 -22.779 165 2HB TYR 23 2HB TYR 23 -0.030 2.654 -21.838 166 HD1 TYR 23 HD1 TYR 23 1.216 1.544 -20.015 167 HD2 TYR 23 HD2 TYR 23 2.871 4.826 -22.159 168 HE1 TYR 23 HE1 TYR 23 2.886 1.856 -18.239 169 HE2 TYR 23 HE2 TYR 23 4.547 5.141 -20.391 170 HH TYR 23 HH TYR 23 5.232 2.875 -18.075 171 HA PRO 24 HA PRO 24 2.075 -2.207 -22.843 172 1HB PRO 24 1HB PRO 24 4.416 -1.501 -21.154 173 2HB PRO 24 2HB PRO 24 4.262 -2.740 -22.404 174 1HG PRO 24 1HG PRO 24 5.607 -0.459 -22.833 175 2HG PRO 24 2HG PRO 24 4.678 -1.256 -24.116 176 1HD PRO 24 1HD PRO 24 4.041 1.202 -22.568 177 2HD PRO 24 2HD PRO 24 3.610 0.764 -24.230 178 H CYS 25 H CYS 25 0.689 -3.006 -21.466 179 HA CYS 25 HA CYS 25 0.976 -2.478 -18.606 180 1HB CYS 25 1HB CYS 25 -0.846 -1.042 -19.281 181 2HB CYS 25 2HB CYS 25 -1.588 -2.336 -20.210 182 HA PRO 26 HA PRO 26 0.166 -6.880 -18.725 183 1HB PRO 26 1HB PRO 26 0.713 -7.364 -16.102 184 2HB PRO 26 2HB PRO 26 1.960 -7.124 -17.324 185 1HG PRO 26 1HG PRO 26 1.204 -5.389 -15.114 186 2HG PRO 26 2HG PRO 26 2.613 -5.285 -16.179 187 1HD PRO 26 1HD PRO 26 0.094 -3.805 -16.294 188 2HD PRO 26 2HD PRO 26 1.616 -3.491 -17.152 189 H CYS 27 H CYS 27 -1.859 -7.572 -18.834 190 HA CYS 27 HA CYS 27 -3.542 -7.989 -16.641 191 1HB CYS 27 1HB CYS 27 -5.312 -6.352 -17.020 192 2HB CYS 27 2HB CYS 27 -3.799 -5.504 -16.720 193 H GLY 28 H GLY 28 -3.441 -7.182 -20.059 194 1HA GLY 28 1HA GLY 28 -4.105 -9.562 -21.191 195 2HA GLY 28 2HA GLY 28 -5.665 -8.863 -20.765 196 H ASP 29 H ASP 29 -4.514 -6.117 -21.144 197 HA ASP 29 HA ASP 29 -4.069 -6.060 -24.032 198 1HB ASP 29 1HB ASP 29 -6.579 -5.768 -23.358 199 2HB ASP 29 2HB ASP 29 -6.070 -4.155 -22.867 200 H ARG 30 H ARG 30 -3.808 -3.545 -24.613 201 HA ARG 30 HA ARG 30 -1.935 -2.480 -22.601 202 1HB ARG 30 1HB ARG 30 -0.982 -1.315 -24.781 203 2HB ARG 30 2HB ARG 30 -0.476 -2.924 -24.297 204 1HG ARG 30 1HG ARG 30 -0.887 -2.816 -26.686 205 2HG ARG 30 2HG ARG 30 -2.027 -3.906 -25.904 206 1HD ARG 30 1HD ARG 30 -3.793 -2.339 -26.100 207 2HD ARG 30 2HD ARG 30 -2.687 -1.039 -26.539 208 HE ARG 30 HE ARG 30 -2.286 -2.372 -28.638 209 1HH1 ARG 30 1HH1 ARG 30 -5.269 -2.818 -26.842 210 2HH1 ARG 30 2HH1 ARG 30 -6.220 -3.085 -28.271 211 1HH2 ARG 30 1HH2 ARG 30 -3.542 -2.739 -30.505 212 2HH2 ARG 30 2HH2 ARG 30 -5.249 -3.048 -30.356 213 H PHE 31 H PHE 31 -1.893 -0.205 -22.270 214 HA PHE 31 HA PHE 31 -4.273 1.220 -22.431 215 1HB PHE 31 1HB PHE 31 -1.419 2.195 -22.288 216 2HB PHE 31 2HB PHE 31 -2.792 3.292 -22.242 217 HD1 PHE 31 HD1 PHE 31 -4.344 3.247 -20.341 218 HD2 PHE 31 HD2 PHE 31 -0.798 0.896 -20.400 219 HE1 PHE 31 HE1 PHE 31 -4.501 2.955 -17.905 220 HE2 PHE 31 HE2 PHE 31 -0.952 0.596 -17.963 221 HZ PHE 31 HZ PHE 31 -2.805 1.629 -16.712 222 H GLN 32 H GLN 32 -5.370 1.867 -24.150 223 HA GLN 32 HA GLN 32 -3.863 2.437 -26.617 224 1HB GLN 32 1HB GLN 32 -5.857 1.611 -27.847 225 2HB GLN 32 2HB GLN 32 -5.109 0.375 -26.846 226 1HG GLN 32 1HG GLN 32 -6.824 0.708 -25.142 227 2HG GLN 32 2HG GLN 32 -7.575 1.953 -26.141 228 1HE2 GLN 32 1HE2 GLN 32 -6.931 -1.452 -25.796 229 2HE2 GLN 32 2HE2 GLN 32 -8.117 -1.990 -26.937 230 H ILE 33 H ILE 33 -4.228 4.295 -27.640 231 HA ILE 33 HA ILE 33 -6.697 5.743 -27.080 232 HB ILE 33 HB ILE 33 -5.083 6.804 -25.617 233 1HG1 ILE 33 1HG1 ILE 33 -5.607 8.515 -28.053 234 2HG1 ILE 33 2HG1 ILE 33 -6.783 8.173 -26.785 235 1HG2 ILE 33 1HG2 ILE 33 -3.020 6.188 -26.716 236 2HG2 ILE 33 2HG2 ILE 33 -3.092 7.940 -26.519 237 3HG2 ILE 33 3HG2 ILE 33 -3.416 7.216 -28.093 238 1HD1 ILE 33 1HD1 ILE 33 -4.176 9.633 -26.435 239 2HD1 ILE 33 2HD1 ILE 33 -5.353 9.298 -25.164 240 3HD1 ILE 33 3HD1 ILE 33 -5.780 10.362 -26.505 241 H TYR 34 H TYR 34 -7.606 6.553 -28.851 242 HA TYR 34 HA TYR 34 -6.468 5.737 -31.363 243 1HB TYR 34 1HB TYR 34 -9.049 7.259 -30.970 244 2HB TYR 34 2HB TYR 34 -8.621 6.159 -32.279 245 HD1 TYR 34 HD1 TYR 34 -8.404 3.687 -31.767 246 HD2 TYR 34 HD2 TYR 34 -10.067 6.457 -28.992 247 HE1 TYR 34 HE1 TYR 34 -9.403 1.824 -30.510 248 HE2 TYR 34 HE2 TYR 34 -11.074 4.601 -27.735 249 HH TYR 34 HH TYR 34 -10.204 1.351 -28.245 250 H LEU 35 H LEU 35 -5.664 7.028 -32.953 251 HA LEU 35 HA LEU 35 -4.618 9.542 -32.172 252 1HB LEU 35 1HB LEU 35 -3.933 7.719 -34.033 253 2HB LEU 35 2HB LEU 35 -4.769 8.871 -35.053 254 HG LEU 35 HG LEU 35 -2.328 9.229 -34.995 255 1HD1 LEU 35 1HD1 LEU 35 -3.803 11.117 -35.467 256 2HD1 LEU 35 2HD1 LEU 35 -2.363 11.629 -34.587 257 3HD1 LEU 35 3HD1 LEU 35 -3.902 11.470 -33.742 258 1HD2 LEU 35 1HD2 LEU 35 -1.290 10.118 -32.965 259 2HD2 LEU 35 2HD2 LEU 35 -1.910 8.485 -32.716 260 3HD2 LEU 35 3HD2 LEU 35 -2.800 9.873 -32.090 261 H ASP 36 H ASP 36 -7.337 8.536 -34.161 262 HA ASP 36 HA ASP 36 -8.120 11.059 -35.129 263 1HB ASP 36 1HB ASP 36 -9.017 8.797 -35.845 264 2HB ASP 36 2HB ASP 36 -9.982 8.798 -34.374 265 H ASP 37 H ASP 37 -8.652 9.406 -32.108 266 HA ASP 37 HA ASP 37 -10.570 11.196 -31.013 267 1HB ASP 37 1HB ASP 37 -10.146 8.827 -30.253 268 2HB ASP 37 2HB ASP 37 -8.646 9.388 -29.529 269 H MET 38 H MET 38 -7.049 10.897 -30.763 270 HA MET 38 HA MET 38 -6.649 13.028 -28.953 271 1HB MET 38 1HB MET 38 -4.738 11.989 -31.056 272 2HB MET 38 2HB MET 38 -4.301 12.947 -29.649 273 1HG MET 38 1HG MET 38 -5.162 11.097 -28.223 274 2HG MET 38 2HG MET 38 -5.366 10.140 -29.689 275 1HE MET 38 1HE MET 38 -1.334 11.532 -27.941 276 2HE MET 38 2HE MET 38 -2.882 11.663 -27.104 277 3HE MET 38 3HE MET 38 -2.555 12.663 -28.521 278 H PHE 39 H PHE 39 -6.845 12.853 -32.452 279 HA PHE 39 HA PHE 39 -5.987 15.512 -32.955 280 1HB PHE 39 1HB PHE 39 -6.031 13.563 -34.594 281 2HB PHE 39 2HB PHE 39 -7.760 13.846 -34.740 282 HD1 PHE 39 HD1 PHE 39 -4.443 15.393 -35.242 283 HD2 PHE 39 HD2 PHE 39 -8.596 15.513 -36.162 284 HE1 PHE 39 HE1 PHE 39 -4.006 17.078 -36.981 285 HE2 PHE 39 HE2 PHE 39 -8.165 17.196 -37.899 286 HZ PHE 39 HZ PHE 39 -5.870 17.981 -38.315 287 H GLU 40 H GLU 40 -8.997 14.101 -32.009 288 HA GLU 40 HA GLU 40 -10.649 16.316 -32.730 289 1HB GLU 40 1HB GLU 40 -11.021 13.950 -30.910 290 2HB GLU 40 2HB GLU 40 -12.239 15.202 -31.062 291 1HG GLU 40 1HG GLU 40 -11.197 13.451 -33.272 292 2HG GLU 40 2HG GLU 40 -12.762 13.309 -32.473 293 H GLY 41 H GLY 41 -8.351 15.814 -30.309 294 1HA GLY 41 1HA GLY 41 -7.701 17.730 -28.979 295 2HA GLY 41 2HA GLY 41 -9.404 18.142 -28.837 296 H GLU 42 H GLU 42 -9.471 14.938 -28.503 297 HA GLU 42 HA GLU 42 -9.517 15.098 -25.606 298 1HB GLU 42 1HB GLU 42 -10.805 13.511 -27.585 299 2HB GLU 42 2HB GLU 42 -9.871 12.424 -26.568 300 1HG GLU 42 1HG GLU 42 -12.083 12.601 -25.697 301 2HG GLU 42 2HG GLU 42 -10.971 13.399 -24.584 302 H LYS 43 H LYS 43 -8.210 13.885 -24.232 303 HA LYS 43 HA LYS 43 -6.016 12.388 -25.429 304 1HB LYS 43 1HB LYS 43 -4.427 13.619 -23.895 305 2HB LYS 43 2HB LYS 43 -5.016 14.511 -25.294 306 1HG LYS 43 1HG LYS 43 -6.372 15.876 -24.028 307 2HG LYS 43 2HG LYS 43 -6.443 14.732 -22.688 308 1HD LYS 43 1HD LYS 43 -4.088 15.173 -22.203 309 2HD LYS 43 2HD LYS 43 -4.058 16.359 -23.514 310 1HE LYS 43 1HE LYS 43 -5.765 17.663 -22.411 311 2HE LYS 43 2HE LYS 43 -5.890 16.457 -21.134 312 1HZ LYS 43 1HZ LYS 43 -3.386 17.948 -21.719 313 2HZ LYS 43 2HZ LYS 43 -3.723 16.982 -20.361 314 3HZ LYS 43 3HZ LYS 43 -4.529 18.456 -20.577 315 H VAL 44 H VAL 44 -6.671 10.518 -24.531 316 HA VAL 44 HA VAL 44 -6.000 10.008 -21.830 317 HB VAL 44 HB VAL 44 -8.094 10.910 -21.199 318 1HG1 VAL 44 1HG1 VAL 44 -9.349 9.305 -23.420 319 2HG1 VAL 44 2HG1 VAL 44 -9.136 11.056 -23.374 320 3HG1 VAL 44 3HG1 VAL 44 -10.224 10.271 -22.230 321 1HG2 VAL 44 1HG2 VAL 44 -7.614 8.793 -20.119 322 2HG2 VAL 44 2HG2 VAL 44 -8.420 7.921 -21.424 323 3HG2 VAL 44 3HG2 VAL 44 -9.351 8.977 -20.362 324 H ALA 45 H ALA 45 -5.267 8.008 -21.754 325 HA ALA 45 HA ALA 45 -5.996 6.187 -23.938 326 1HB ALA 45 1HB ALA 45 -3.974 4.944 -23.341 327 2HB ALA 45 2HB ALA 45 -3.672 6.067 -22.016 328 3HB ALA 45 3HB ALA 45 -3.609 6.635 -23.684 329 H VAL 46 H VAL 46 -7.093 4.388 -23.566 330 HA VAL 46 HA VAL 46 -7.750 3.724 -20.767 331 HB VAL 46 HB VAL 46 -9.715 4.443 -21.973 332 1HG1 VAL 46 1HG1 VAL 46 -8.975 4.046 -24.250 333 2HG1 VAL 46 2HG1 VAL 46 -10.539 3.283 -23.970 334 3HG1 VAL 46 3HG1 VAL 46 -9.073 2.302 -23.992 335 1HG2 VAL 46 1HG2 VAL 46 -9.716 1.451 -21.648 336 2HG2 VAL 46 2HG2 VAL 46 -11.150 2.477 -21.728 337 3HG2 VAL 46 3HG2 VAL 46 -10.025 2.636 -20.379 338 H CYS 47 H CYS 47 -7.430 1.674 -20.079 339 HA CYS 47 HA CYS 47 -6.479 -0.222 -22.092 340 1HB CYS 47 1HB CYS 47 -4.867 0.575 -20.260 341 2HB CYS 47 2HB CYS 47 -5.854 -0.357 -19.147 342 HA PRO 48 HA PRO 48 -10.199 -2.437 -20.836 343 1HB PRO 48 1HB PRO 48 -9.899 -4.405 -22.710 344 2HB PRO 48 2HB PRO 48 -10.671 -2.851 -23.034 345 1HG PRO 48 1HG PRO 48 -7.928 -3.783 -23.697 346 2HG PRO 48 2HG PRO 48 -9.013 -2.734 -24.624 347 1HD PRO 48 1HD PRO 48 -6.893 -1.823 -23.150 348 2HD PRO 48 2HD PRO 48 -8.334 -0.854 -23.513 349 H SER 49 H SER 49 -10.573 -4.487 -19.908 350 HA SER 49 HA SER 49 -10.097 -6.484 -18.898 351 1HB SER 49 1HB SER 49 -8.327 -7.093 -20.427 352 2HB SER 49 2HB SER 49 -7.217 -5.957 -19.668 353 HG SER 49 HG SER 49 -6.841 -7.337 -18.122 354 H CYS 50 H CYS 50 -7.512 -4.082 -18.174 355 HA CYS 50 HA CYS 50 -7.997 -4.570 -15.336 356 1HB CYS 50 1HB CYS 50 -6.063 -3.164 -14.921 357 2HB CYS 50 2HB CYS 50 -5.667 -4.340 -16.171 358 H SER 51 H SER 51 -8.617 -2.228 -17.801 359 HA SER 51 HA SER 51 -10.078 -0.515 -17.948 360 1HB SER 51 1HB SER 51 -11.626 -1.975 -16.678 361 2HB SER 51 2HB SER 51 -10.984 -1.327 -15.172 362 HG SER 51 HG SER 51 -11.713 0.747 -15.875 363 H LEU 52 H LEU 52 -7.622 0.280 -17.523 364 HA LEU 52 HA LEU 52 -7.798 2.313 -15.401 365 1HB LEU 52 1HB LEU 52 -5.916 0.426 -15.554 366 2HB LEU 52 2HB LEU 52 -5.197 1.576 -16.661 367 HG LEU 52 HG LEU 52 -5.948 2.242 -13.811 368 1HD1 LEU 52 1HD1 LEU 52 -4.224 0.532 -13.825 369 2HD1 LEU 52 2HD1 LEU 52 -3.550 2.086 -13.334 370 3HD1 LEU 52 3HD1 LEU 52 -3.269 1.480 -14.966 371 1HD2 LEU 52 1HD2 LEU 52 -5.840 4.173 -15.302 372 2HD2 LEU 52 2HD2 LEU 52 -4.225 3.686 -15.821 373 3HD2 LEU 52 3HD2 LEU 52 -4.506 4.179 -14.150 374 H MET 53 H MET 53 -7.551 4.411 -15.987 375 HA MET 53 HA MET 53 -6.948 5.018 -18.798 376 1HB MET 53 1HB MET 53 -9.237 6.123 -17.165 377 2HB MET 53 2HB MET 53 -8.741 6.749 -18.732 378 1HG MET 53 1HG MET 53 -9.410 4.812 -19.849 379 2HG MET 53 2HG MET 53 -9.498 3.882 -18.355 380 1HE MET 53 1HE MET 53 -11.037 5.892 -16.412 381 2HE MET 53 2HE MET 53 -11.333 4.160 -16.549 382 3HE MET 53 3HE MET 53 -12.680 5.296 -16.642 383 H ILE 54 H ILE 54 -5.712 6.778 -19.137 384 HA ILE 54 HA ILE 54 -5.364 8.745 -17.002 385 HB ILE 54 HB ILE 54 -3.008 8.734 -16.979 386 1HG1 ILE 54 1HG1 ILE 54 -2.623 8.424 -19.394 387 2HG1 ILE 54 2HG1 ILE 54 -1.575 7.397 -18.427 388 1HG2 ILE 54 1HG2 ILE 54 -3.959 5.879 -16.937 389 2HG2 ILE 54 2HG2 ILE 54 -3.868 7.005 -15.581 390 3HG2 ILE 54 3HG2 ILE 54 -2.388 6.416 -16.338 391 1HD1 ILE 54 1HD1 ILE 54 -4.054 6.545 -19.897 392 2HD1 ILE 54 2HD1 ILE 54 -3.055 5.495 -18.889 393 3HD1 ILE 54 3HD1 ILE 54 -2.385 6.212 -20.357 394 H ASP 55 H ASP 55 -4.453 10.760 -17.806 395 HA ASP 55 HA ASP 55 -5.330 11.313 -20.508 396 1HB ASP 55 1HB ASP 55 -3.961 13.098 -18.483 397 2HB ASP 55 2HB ASP 55 -4.658 13.635 -20.004 398 H VAL 56 H VAL 56 -3.895 12.360 -22.091 399 HA VAL 56 HA VAL 56 -1.039 11.847 -21.642 400 HB VAL 56 HB VAL 56 -1.890 9.954 -22.949 401 1HG1 VAL 56 1HG1 VAL 56 -2.673 12.024 -24.984 402 2HG1 VAL 56 2HG1 VAL 56 -3.772 11.034 -24.024 403 3HG1 VAL 56 3HG1 VAL 56 -2.717 10.278 -25.219 404 1HG2 VAL 56 1HG2 VAL 56 -0.308 10.083 -24.814 405 2HG2 VAL 56 2HG2 VAL 56 0.398 10.693 -23.317 406 3HG2 VAL 56 3HG2 VAL 56 -0.152 11.821 -24.556 407 H VAL 57 H VAL 57 0.320 13.378 -22.426 408 HA VAL 57 HA VAL 57 -0.773 15.874 -23.295 409 HB VAL 57 HB VAL 57 2.110 14.955 -23.266 410 1HG1 VAL 57 1HG1 VAL 57 1.791 16.899 -24.675 411 2HG1 VAL 57 2HG1 VAL 57 2.641 17.352 -23.197 412 3HG1 VAL 57 3HG1 VAL 57 0.926 17.724 -23.378 413 1HG2 VAL 57 1HG2 VAL 57 0.539 16.460 -21.177 414 2HG2 VAL 57 2HG2 VAL 57 2.259 16.067 -21.103 415 3HG2 VAL 57 3HG2 VAL 57 1.056 14.777 -21.071 416 H PHE 58 H PHE 58 -0.720 16.812 -25.359 417 HA PHE 58 HA PHE 58 0.451 15.314 -27.556 418 1HB PHE 58 1HB PHE 58 -1.574 15.046 -28.806 419 2HB PHE 58 2HB PHE 58 -1.861 14.369 -27.207 420 HD1 PHE 58 HD1 PHE 58 -3.076 15.865 -25.503 421 HD2 PHE 58 HD2 PHE 58 -2.999 16.644 -29.687 422 HE1 PHE 58 HE1 PHE 58 -5.065 17.293 -25.272 423 HE2 PHE 58 HE2 PHE 58 -4.987 18.076 -29.461 424 HZ PHE 58 HZ PHE 58 -6.023 18.400 -27.250 425 H ASP 59 H ASP 59 0.583 16.511 -29.505 426 HA ASP 59 HA ASP 59 -0.238 19.335 -29.390 427 1HB ASP 59 1HB ASP 59 2.321 18.829 -28.986 428 2HB ASP 59 2HB ASP 59 2.338 18.577 -30.722 429 H LYS 60 H LYS 60 -0.521 20.272 -31.472 430 HA LYS 60 HA LYS 60 -1.781 18.542 -33.300 431 1HB LYS 60 1HB LYS 60 -0.978 21.431 -33.397 432 2HB LYS 60 2HB LYS 60 -1.687 20.640 -34.801 433 1HG LYS 60 1HG LYS 60 -3.676 20.108 -33.549 434 2HG LYS 60 2HG LYS 60 -2.960 20.765 -32.078 435 1HD LYS 60 1HD LYS 60 -2.973 22.967 -32.958 436 2HD LYS 60 2HD LYS 60 -3.420 22.393 -34.567 437 1HE LYS 60 1HE LYS 60 -5.562 21.570 -33.629 438 2HE LYS 60 2HE LYS 60 -5.107 22.256 -32.072 439 1HZ LYS 60 1HZ LYS 60 -5.465 23.817 -34.581 440 2HZ LYS 60 2HZ LYS 60 -5.114 24.448 -33.045 441 3HZ LYS 60 3HZ LYS 60 -6.607 23.697 -33.332 442 H GLU 61 H GLU 61 1.483 19.874 -33.161 443 HA GLU 61 HA GLU 61 2.116 19.047 -35.830 444 1HB GLU 61 1HB GLU 61 4.453 19.564 -35.248 445 2HB GLU 61 2HB GLU 61 3.355 20.881 -34.871 446 1HG GLU 61 1HG GLU 61 3.408 20.291 -32.524 447 2HG GLU 61 2HG GLU 61 4.444 18.908 -32.878 448 H ASP 62 H ASP 62 2.679 17.657 -32.610 449 HA ASP 62 HA ASP 62 4.163 15.421 -33.403 450 1HB ASP 62 1HB ASP 62 2.214 15.781 -31.119 451 2HB ASP 62 2HB ASP 62 3.152 14.310 -31.350 452 H LEU 63 H LEU 63 0.671 15.890 -33.125 453 HA LEU 63 HA LEU 63 -0.007 13.239 -33.872 454 1HB LEU 63 1HB LEU 63 -1.662 15.757 -33.937 455 2HB LEU 63 2HB LEU 63 -2.295 14.138 -34.155 456 HG LEU 63 HG LEU 63 -1.050 15.264 -31.650 457 1HD1 LEU 63 1HD1 LEU 63 -3.315 16.023 -32.057 458 2HD1 LEU 63 2HD1 LEU 63 -3.281 14.882 -30.713 459 3HD1 LEU 63 3HD1 LEU 63 -3.848 14.359 -32.298 460 1HD2 LEU 63 1HD2 LEU 63 -0.411 12.923 -31.945 461 2HD2 LEU 63 2HD2 LEU 63 -2.104 12.488 -32.177 462 3HD2 LEU 63 3HD2 LEU 63 -1.560 13.113 -30.620 463 H ALA 64 H ALA 64 0.147 16.291 -35.681 464 HA ALA 64 HA ALA 64 -0.941 15.344 -38.079 465 1HB ALA 64 1HB ALA 64 -0.628 17.718 -37.600 466 2HB ALA 64 2HB ALA 64 0.105 17.269 -39.140 467 3HB ALA 64 3HB ALA 64 1.120 17.516 -37.718 468 H GLU 65 H GLU 65 2.445 15.496 -37.002 469 HA GLU 65 HA GLU 65 3.529 14.484 -39.410 470 1HB GLU 65 1HB GLU 65 4.753 15.667 -37.448 471 2HB GLU 65 2HB GLU 65 4.810 14.064 -36.722 472 1HG GLU 65 1HG GLU 65 6.004 13.187 -38.634 473 2HG GLU 65 2HG GLU 65 5.904 14.749 -39.440 474 H TYR 66 H TYR 66 2.714 12.924 -36.320 475 HA TYR 66 HA TYR 66 3.504 10.329 -37.049 476 1HB TYR 66 1HB TYR 66 3.145 10.951 -34.724 477 2HB TYR 66 2HB TYR 66 1.431 11.212 -35.033 478 HD1 TYR 66 HD1 TYR 66 -0.059 9.490 -34.617 479 HD2 TYR 66 HD2 TYR 66 4.037 8.557 -35.261 480 HE1 TYR 66 HE1 TYR 66 -0.519 7.135 -34.085 481 HE2 TYR 66 HE2 TYR 66 3.591 6.200 -34.728 482 HH TYR 66 HH TYR 66 0.419 4.947 -34.474 483 H TYR 67 H TYR 67 0.492 12.066 -37.482 484 HA TYR 67 HA TYR 67 -1.229 10.033 -38.254 485 1HB TYR 67 1HB TYR 67 -1.413 12.720 -38.091 486 2HB TYR 67 2HB TYR 67 -1.300 12.542 -39.835 487 HD1 TYR 67 HD1 TYR 67 -3.083 11.393 -41.079 488 HD2 TYR 67 HD2 TYR 67 -3.358 12.029 -36.885 489 HE1 TYR 67 HE1 TYR 67 -5.494 10.921 -41.168 490 HE2 TYR 67 HE2 TYR 67 -5.767 11.555 -36.961 491 HH TYR 67 HH TYR 67 -7.614 11.647 -38.658 492 H GLU 68 H GLU 68 1.113 11.866 -40.177 493 HA GLU 68 HA GLU 68 0.554 10.404 -42.580 494 1HB GLU 68 1HB GLU 68 1.336 12.756 -42.573 495 2HB GLU 68 2HB GLU 68 2.891 12.213 -41.956 496 1HG GLU 68 1HG GLU 68 3.389 11.060 -43.956 497 2HG GLU 68 2HG GLU 68 1.734 11.220 -44.542 498 H GLU 69 H GLU 69 2.939 10.213 -40.001 499 HA GLU 69 HA GLU 69 4.729 8.398 -41.186 500 1HB GLU 69 1HB GLU 69 3.967 8.684 -38.271 501 2HB GLU 69 2HB GLU 69 5.359 7.790 -38.866 502 1HG GLU 69 1HG GLU 69 6.239 9.887 -39.831 503 2HG GLU 69 2HG GLU 69 4.886 10.751 -39.099 504 H ALA 70 H ALA 70 1.898 7.812 -39.113 505 HA ALA 70 HA ALA 70 2.112 4.980 -39.250 506 1HB ALA 70 1HB ALA 70 0.982 6.152 -37.412 507 2HB ALA 70 2HB ALA 70 -0.055 4.943 -38.169 508 3HB ALA 70 3HB ALA 70 -0.290 6.655 -38.526 509 H GLY 71 H GLY 71 0.637 7.374 -41.265 510 1HA GLY 71 1HA GLY 71 0.069 7.046 -43.506 511 2HA GLY 71 2HA GLY 71 0.080 5.311 -43.235 512 H ILE 72 H ILE 72 -1.695 7.564 -41.217 513 HA ILE 72 HA ILE 72 -4.144 6.194 -41.676 514 HB ILE 72 HB ILE 72 -4.289 8.913 -40.513 515 1HG1 ILE 72 1HG1 ILE 72 -2.706 6.688 -39.209 516 2HG1 ILE 72 2HG1 ILE 72 -2.122 8.286 -39.638 517 1HG2 ILE 72 1HG2 ILE 72 -5.258 6.189 -39.646 518 2HG2 ILE 72 2HG2 ILE 72 -6.201 7.430 -40.472 519 3HG2 ILE 72 3HG2 ILE 72 -5.630 7.705 -38.827 520 1HD1 ILE 72 1HD1 ILE 72 -3.617 9.265 -37.966 521 2HD1 ILE 72 2HD1 ILE 72 -2.480 8.119 -37.259 522 3HD1 ILE 72 3HD1 ILE 72 -4.159 7.647 -37.518 523 H HIS 73 H HIS 73 -6.105 8.027 -41.944 524 HA HIS 73 HA HIS 73 -6.136 8.317 -44.765 525 1HB HIS 73 1HB HIS 73 -8.063 9.331 -42.664 526 2HB HIS 73 2HB HIS 73 -8.373 9.351 -44.395 527 HD1 HIS 73 HD1 HIS 73 -10.483 7.843 -43.784 528 HD2 HIS 73 HD2 HIS 73 -6.765 6.079 -43.171 529 HE1 HIS 73 HE1 HIS 73 -10.927 5.379 -43.532 530 HE2 HIS 73 HE2 HIS 73 -8.644 4.315 -43.383 531 HA PRO 74 HA PRO 74 -4.783 12.420 -45.722 532 1HB PRO 74 1HB PRO 74 -7.578 13.029 -46.585 533 2HB PRO 74 2HB PRO 74 -6.054 13.296 -47.441 534 1HG PRO 74 1HG PRO 74 -7.624 11.267 -48.122 535 2HG PRO 74 2HG PRO 74 -5.863 11.062 -48.063 536 1HD PRO 74 1HD PRO 74 -7.948 10.133 -46.143 537 2HD PRO 74 2HD PRO 74 -6.435 9.347 -46.636 538 HA PRO 75 HA PRO 75 -6.240 14.406 -41.967 539 1HB PRO 75 1HB PRO 75 -4.061 15.925 -41.558 540 2HB PRO 75 2HB PRO 75 -4.055 14.184 -41.256 541 1HG PRO 75 1HG PRO 75 -2.986 15.704 -43.595 542 2HG PRO 75 2HG PRO 75 -2.280 14.320 -42.741 543 1HD PRO 75 1HD PRO 75 -3.652 14.132 -45.113 544 2HD PRO 75 2HD PRO 75 -3.497 12.807 -43.944 545 H GLU 76 H GLU 76 -6.864 16.512 -41.337 546 HA GLU 76 HA GLU 76 -7.288 18.363 -43.544 547 1HB GLU 76 1HB GLU 76 -8.750 19.572 -41.976 548 2HB GLU 76 2HB GLU 76 -9.197 17.878 -42.103 549 1HG GLU 76 1HG GLU 76 -8.056 17.420 -39.990 550 2HG GLU 76 2HG GLU 76 -7.614 19.121 -39.864 551 HA PRO 77 HA PRO 77 -3.849 20.925 -42.532 552 1HB PRO 77 1HB PRO 77 -4.871 23.380 -43.215 553 2HB PRO 77 2HB PRO 77 -4.214 22.216 -44.366 554 1HG PRO 77 1HG PRO 77 -7.061 22.767 -43.648 555 2HG PRO 77 2HG PRO 77 -6.351 22.428 -45.237 556 1HD PRO 77 1HD PRO 77 -7.695 20.550 -43.849 557 2HD PRO 77 2HD PRO 77 -6.295 20.144 -44.865 558 H ILE 78 H ILE 78 -3.091 22.027 -40.815 559 HA ILE 78 HA ILE 78 -5.080 22.854 -38.805 560 HB ILE 78 HB ILE 78 -3.356 22.387 -37.094 561 1HG1 ILE 78 1HG1 ILE 78 -1.827 21.108 -39.369 562 2HG1 ILE 78 2HG1 ILE 78 -1.387 22.627 -38.600 563 1HG2 ILE 78 1HG2 ILE 78 -4.038 20.039 -38.856 564 2HG2 ILE 78 2HG2 ILE 78 -5.076 20.735 -37.612 565 3HG2 ILE 78 3HG2 ILE 78 -3.562 19.952 -37.160 566 1HD1 ILE 78 1HD1 ILE 78 -0.020 20.856 -37.739 567 2HD1 ILE 78 2HD1 ILE 78 -1.448 19.914 -37.309 568 3HD1 ILE 78 3HD1 ILE 78 -1.106 21.428 -36.472 569 H ALA 79 H ALA 79 -4.623 24.665 -37.514 570 HA ALA 79 HA ALA 79 -2.685 26.533 -38.711 571 1HB ALA 79 1HB ALA 79 -5.187 27.121 -37.127 572 2HB ALA 79 2HB ALA 79 -4.987 27.310 -38.869 573 3HB ALA 79 3HB ALA 79 -4.072 28.332 -37.759 574 H ALA 80 H ALA 80 -0.882 26.058 -37.571 575 HA ALA 80 HA ALA 80 -1.014 26.579 -34.678 576 1HB ALA 80 1HB ALA 80 0.640 24.852 -34.264 577 2HB ALA 80 2HB ALA 80 0.718 24.482 -35.987 578 3HB ALA 80 3HB ALA 80 -0.761 24.160 -35.082 579 H ALA 81 H ALA 81 0.112 27.561 -37.579 580 HA ALA 81 HA ALA 81 2.092 29.298 -36.410 581 1HB ALA 81 1HB ALA 81 3.934 28.610 -37.862 582 2HB ALA 81 2HB ALA 81 2.946 27.296 -38.502 583 3HB ALA 81 3HB ALA 81 3.434 27.289 -36.806 584 H ALA 82 H ALA 82 0.746 27.984 -39.418 585 HA ALA 82 HA ALA 82 0.426 30.743 -40.381 586 1HB ALA 82 1HB ALA 82 2.322 29.782 -41.558 587 2HB ALA 82 2HB ALA 82 0.957 29.988 -42.658 588 3HB ALA 82 3HB ALA 82 1.343 28.388 -42.023 Start of MODEL 18 1 1H MET 1 1H MET 1 -14.329 7.317 -11.454 2 HA MET 1 HA MET 1 -13.696 5.810 -13.861 3 1HB MET 1 1HB MET 1 -15.840 7.876 -13.331 4 2HB MET 1 2HB MET 1 -15.696 6.920 -14.799 5 1HG MET 1 1HG MET 1 -16.101 4.886 -13.527 6 2HG MET 1 2HG MET 1 -16.196 5.824 -12.039 7 1HE MET 1 1HE MET 1 -19.908 4.736 -12.546 8 2HE MET 1 2HE MET 1 -18.553 4.816 -11.421 9 3HE MET 1 3HE MET 1 -18.449 3.797 -12.857 10 H SER 2 H SER 2 -12.407 8.462 -12.499 11 HA SER 2 HA SER 2 -12.136 9.926 -15.027 12 1HB SER 2 1HB SER 2 -11.587 10.879 -12.210 13 2HB SER 2 2HB SER 2 -11.521 11.862 -13.675 14 HG SER 2 HG SER 2 -13.877 10.614 -13.573 15 H THR 3 H THR 3 -10.040 10.897 -15.471 16 HA THR 3 HA THR 3 -7.925 8.976 -15.128 17 HB THR 3 HB THR 3 -6.703 10.696 -16.590 18 HG1 THR 3 HG1 THR 3 -7.751 12.464 -17.084 19 1HG2 THR 3 1HG2 THR 3 -7.921 9.994 -18.601 20 2HG2 THR 3 2HG2 THR 3 -9.266 9.449 -17.598 21 3HG2 THR 3 3HG2 THR 3 -7.697 8.648 -17.485 22 H TYR 4 H TYR 4 -6.332 9.104 -13.643 23 HA TYR 4 HA TYR 4 -6.079 11.586 -12.104 24 1HB TYR 4 1HB TYR 4 -5.465 8.719 -11.470 25 2HB TYR 4 2HB TYR 4 -4.704 10.016 -10.552 26 HD1 TYR 4 HD1 TYR 4 -6.006 11.433 -9.087 27 HD2 TYR 4 HD2 TYR 4 -7.858 8.285 -11.268 28 HE1 TYR 4 HE1 TYR 4 -7.998 11.625 -7.661 29 HE2 TYR 4 HE2 TYR 4 -9.855 8.469 -9.846 30 HH TYR 4 HH TYR 4 -10.420 11.097 -7.805 31 H ASP 5 H ASP 5 -4.340 9.530 -14.276 32 HA ASP 5 HA ASP 5 -1.876 11.027 -13.700 33 1HB ASP 5 1HB ASP 5 -2.332 8.229 -14.674 34 2HB ASP 5 2HB ASP 5 -0.822 9.057 -15.040 35 H GLU 6 H GLU 6 -0.576 11.696 -15.437 36 HA GLU 6 HA GLU 6 -1.708 11.615 -18.117 37 1HB GLU 6 1HB GLU 6 -2.652 13.665 -17.132 38 2HB GLU 6 2HB GLU 6 -1.040 14.202 -16.687 39 1HG GLU 6 1HG GLU 6 -0.417 14.445 -18.990 40 2HG GLU 6 2HG GLU 6 -1.938 13.727 -19.519 41 H ILE 7 H ILE 7 -0.101 11.135 -19.501 42 HA ILE 7 HA ILE 7 2.644 11.912 -18.722 43 HB ILE 7 HB ILE 7 2.178 9.475 -20.410 44 1HG1 ILE 7 1HG1 ILE 7 2.637 8.306 -18.041 45 2HG1 ILE 7 2HG1 ILE 7 1.721 9.702 -17.480 46 1HG2 ILE 7 1HG2 ILE 7 4.424 10.339 -20.282 47 2HG2 ILE 7 2HG2 ILE 7 4.336 8.807 -19.412 48 3HG2 ILE 7 3HG2 ILE 7 4.362 10.327 -18.519 49 1HD1 ILE 7 1HD1 ILE 7 -0.110 9.096 -18.958 50 2HD1 ILE 7 2HD1 ILE 7 0.285 7.783 -17.848 51 3HD1 ILE 7 3HD1 ILE 7 0.809 7.706 -19.532 52 H GLU 8 H GLU 8 4.103 12.281 -20.528 53 HA GLU 8 HA GLU 8 2.803 13.717 -22.617 54 1HB GLU 8 1HB GLU 8 5.710 13.024 -22.201 55 2HB GLU 8 2HB GLU 8 5.111 14.100 -23.457 56 1HG GLU 8 1HG GLU 8 4.201 15.586 -21.729 57 2HG GLU 8 2HG GLU 8 4.861 14.522 -20.486 58 H ILE 9 H ILE 9 2.958 13.373 -24.837 59 HA ILE 9 HA ILE 9 2.305 10.794 -25.674 60 HB ILE 9 HB ILE 9 1.572 12.838 -26.812 61 1HG1 ILE 9 1HG1 ILE 9 3.153 11.125 -28.733 62 2HG1 ILE 9 2HG1 ILE 9 1.648 10.603 -27.982 63 1HG2 ILE 9 1HG2 ILE 9 3.076 14.029 -28.337 64 2HG2 ILE 9 2HG2 ILE 9 4.420 13.039 -27.767 65 3HG2 ILE 9 3HG2 ILE 9 3.604 14.140 -26.656 66 1HD1 ILE 9 1HD1 ILE 9 1.291 11.451 -30.242 67 2HD1 ILE 9 2HD1 ILE 9 1.981 13.005 -29.770 68 3HD1 ILE 9 3HD1 ILE 9 0.469 12.452 -29.044 69 H GLU 10 H GLU 10 5.392 12.401 -25.515 70 HA GLU 10 HA GLU 10 6.942 10.816 -27.209 71 1HB GLU 10 1HB GLU 10 7.833 11.933 -24.549 72 2HB GLU 10 2HB GLU 10 8.850 11.539 -25.921 73 1HG GLU 10 1HG GLU 10 7.886 13.357 -27.193 74 2HG GLU 10 2HG GLU 10 6.790 13.728 -25.860 75 H ASP 11 H ASP 11 5.862 10.278 -23.911 76 HA ASP 11 HA ASP 11 7.655 8.115 -23.365 77 1HB ASP 11 1HB ASP 11 6.341 9.761 -21.754 78 2HB ASP 11 2HB ASP 11 5.109 8.509 -21.841 79 H MET 12 H MET 12 4.332 8.448 -24.402 80 HA MET 12 HA MET 12 3.484 5.796 -24.320 81 1HB MET 12 1HB MET 12 2.766 7.968 -26.300 82 2HB MET 12 2HB MET 12 1.877 6.466 -26.087 83 1HG MET 12 1HG MET 12 2.277 8.492 -23.904 84 2HG MET 12 2HG MET 12 0.878 8.466 -24.973 85 1HE MET 12 1HE MET 12 -0.953 6.576 -24.981 86 2HE MET 12 2HE MET 12 -0.820 5.079 -24.057 87 3HE MET 12 3HE MET 12 0.312 5.410 -25.366 88 H THR 13 H THR 13 3.393 4.170 -25.895 89 HA THR 13 HA THR 13 5.597 4.264 -27.830 90 HB THR 13 HB THR 13 4.028 1.832 -26.966 91 HG1 THR 13 HG1 THR 13 5.543 3.252 -25.421 92 1HG2 THR 13 1HG2 THR 13 6.050 0.634 -27.746 93 2HG2 THR 13 2HG2 THR 13 6.727 2.170 -28.287 94 3HG2 THR 13 3HG2 THR 13 5.263 1.537 -29.040 95 H PHE 14 H PHE 14 4.946 4.930 -29.781 96 HA PHE 14 HA PHE 14 2.209 4.784 -30.582 97 1HB PHE 14 1HB PHE 14 2.987 5.838 -32.686 98 2HB PHE 14 2HB PHE 14 3.519 6.706 -31.254 99 HD1 PHE 14 HD1 PHE 14 5.890 6.598 -30.556 100 HD2 PHE 14 HD2 PHE 14 4.538 4.867 -34.202 101 HE1 PHE 14 HE1 PHE 14 8.208 6.523 -31.377 102 HE2 PHE 14 HE2 PHE 14 6.851 4.786 -35.028 103 HZ PHE 14 HZ PHE 14 8.692 5.616 -33.615 104 H GLU 15 H GLU 15 1.208 3.419 -31.907 105 HA GLU 15 HA GLU 15 2.810 1.297 -33.159 106 1HB GLU 15 1HB GLU 15 1.302 0.477 -31.378 107 2HB GLU 15 2HB GLU 15 -0.064 1.184 -32.229 108 1HG GLU 15 1HG GLU 15 -0.057 -1.145 -32.673 109 2HG GLU 15 2HG GLU 15 0.441 -0.323 -34.148 110 HA PRO 16 HA PRO 16 1.264 3.998 -36.510 111 1HB PRO 16 1HB PRO 16 3.101 3.083 -38.344 112 2HB PRO 16 2HB PRO 16 3.383 4.423 -37.231 113 1HG PRO 16 1HG PRO 16 4.240 1.571 -37.021 114 2HG PRO 16 2HG PRO 16 5.125 3.044 -36.589 115 1HD PRO 16 1HD PRO 16 3.950 1.486 -34.735 116 2HD PRO 16 2HD PRO 16 4.047 3.250 -34.561 117 H GLU 17 H GLU 17 1.883 0.563 -36.520 118 HA GLU 17 HA GLU 17 0.596 -0.033 -38.974 119 1HB GLU 17 1HB GLU 17 1.081 -1.807 -36.575 120 2HB GLU 17 2HB GLU 17 0.684 -2.356 -38.198 121 1HG GLU 17 1HG GLU 17 2.770 -1.526 -39.048 122 2HG GLU 17 2HG GLU 17 3.152 -0.786 -37.494 123 H ASN 18 H ASN 18 -0.579 0.701 -35.831 124 HA ASN 18 HA ASN 18 -3.256 -0.300 -36.561 125 1HB ASN 18 1HB ASN 18 -1.954 0.123 -33.883 126 2HB ASN 18 2HB ASN 18 -3.703 0.065 -34.037 127 1HD2 ASN 18 1HD2 ASN 18 -1.571 -1.863 -36.010 128 2HD2 ASN 18 2HD2 ASN 18 -1.971 -3.387 -35.307 129 H GLN 19 H GLN 19 -1.468 2.417 -36.601 130 HA GLN 19 HA GLN 19 -1.841 4.651 -36.642 131 1HB GLN 19 1HB GLN 19 -4.641 3.674 -37.188 132 2HB GLN 19 2HB GLN 19 -4.226 5.379 -37.177 133 1HG GLN 19 1HG GLN 19 -4.106 4.892 -39.405 134 2HG GLN 19 2HG GLN 19 -2.426 4.675 -38.918 135 1HE2 GLN 19 1HE2 GLN 19 -1.531 2.624 -38.946 136 2HE2 GLN 19 2HE2 GLN 19 -2.336 1.268 -39.665 137 H MET 20 H MET 20 -1.616 3.633 -34.092 138 HA MET 20 HA MET 20 -3.142 5.580 -32.590 139 1HB MET 20 1HB MET 20 -4.078 3.981 -30.997 140 2HB MET 20 2HB MET 20 -4.682 3.666 -32.618 141 1HG MET 20 1HG MET 20 -3.114 1.823 -32.857 142 2HG MET 20 2HG MET 20 -2.466 2.152 -31.252 143 1HE MET 20 1HE MET 20 -2.871 -0.373 -30.514 144 2HE MET 20 2HE MET 20 -3.439 -0.692 -32.156 145 3HE MET 20 3HE MET 20 -4.400 -1.217 -30.769 146 H PHE 21 H PHE 21 -2.456 5.633 -30.289 147 HA PHE 21 HA PHE 21 0.355 4.808 -30.005 148 1HB PHE 21 1HB PHE 21 -1.259 6.907 -28.534 149 2HB PHE 21 2HB PHE 21 0.384 6.453 -28.103 150 HD1 PHE 21 HD1 PHE 21 2.244 7.281 -29.298 151 HD2 PHE 21 HD2 PHE 21 -1.705 8.036 -30.703 152 HE1 PHE 21 HE1 PHE 21 3.128 8.950 -30.872 153 HE2 PHE 21 HE2 PHE 21 -0.824 9.706 -32.281 154 HZ PHE 21 HZ PHE 21 1.595 10.163 -32.369 155 H THR 22 H THR 22 0.983 3.510 -28.294 156 HA THR 22 HA THR 22 -1.172 2.558 -26.540 157 HB THR 22 HB THR 22 -0.286 0.258 -26.724 158 HG1 THR 22 HG1 THR 22 1.577 1.564 -28.327 159 1HG2 THR 22 1HG2 THR 22 -1.148 -0.214 -28.996 160 2HG2 THR 22 2HG2 THR 22 -1.130 1.518 -29.337 161 3HG2 THR 22 3HG2 THR 22 -2.195 0.877 -28.086 162 H TYR 23 H TYR 23 -0.218 1.235 -24.664 163 HA TYR 23 HA TYR 23 2.505 1.930 -23.954 164 1HB TYR 23 1HB TYR 23 0.895 3.848 -23.262 165 2HB TYR 23 2HB TYR 23 0.338 2.730 -22.022 166 HD1 TYR 23 HD1 TYR 23 3.562 4.044 -23.381 167 HD2 TYR 23 HD2 TYR 23 1.339 2.904 -19.935 168 HE1 TYR 23 HE1 TYR 23 5.422 4.768 -21.950 169 HE2 TYR 23 HE2 TYR 23 3.198 3.627 -18.493 170 HH TYR 23 HH TYR 23 5.871 5.449 -19.735 171 HA PRO 24 HA PRO 24 2.164 -2.227 -22.358 172 1HB PRO 24 1HB PRO 24 4.466 -1.289 -20.722 173 2HB PRO 24 2HB PRO 24 4.320 -2.727 -21.739 174 1HG PRO 24 1HG PRO 24 5.743 -0.624 -22.547 175 2HG PRO 24 2HG PRO 24 4.755 -1.553 -23.690 176 1HD PRO 24 1HD PRO 24 4.231 1.119 -22.465 177 2HD PRO 24 2HD PRO 24 3.848 0.526 -24.090 178 H CYS 25 H CYS 25 0.833 -2.887 -20.835 179 HA CYS 25 HA CYS 25 0.863 -1.637 -18.182 180 1HB CYS 25 1HB CYS 25 -1.010 -0.601 -19.228 181 2HB CYS 25 2HB CYS 25 -1.523 -2.110 -19.973 182 HA PRO 26 HA PRO 26 0.531 -5.959 -17.075 183 1HB PRO 26 1HB PRO 26 0.400 -5.685 -14.396 184 2HB PRO 26 2HB PRO 26 1.897 -5.435 -15.298 185 1HG PRO 26 1HG PRO 26 0.078 -3.448 -14.062 186 2HG PRO 26 2HG PRO 26 1.822 -3.355 -14.348 187 1HD PRO 26 1HD PRO 26 -0.222 -2.175 -15.907 188 2HD PRO 26 2HD PRO 26 1.502 -2.281 -16.313 189 H CYS 27 H CYS 27 -1.272 -6.994 -17.460 190 HA CYS 27 HA CYS 27 -3.406 -7.335 -15.765 191 1HB CYS 27 1HB CYS 27 -5.243 -6.102 -16.779 192 2HB CYS 27 2HB CYS 27 -4.000 -4.961 -16.287 193 H GLY 28 H GLY 28 -2.729 -6.824 -19.178 194 1HA GLY 28 1HA GLY 28 -2.516 -9.403 -20.039 195 2HA GLY 28 2HA GLY 28 -4.247 -9.092 -20.055 196 H ASP 29 H ASP 29 -3.643 -6.178 -20.621 197 HA ASP 29 HA ASP 29 -2.793 -6.432 -23.419 198 1HB ASP 29 1HB ASP 29 -5.431 -6.319 -22.856 199 2HB ASP 29 2HB ASP 29 -5.062 -4.597 -22.933 200 H ARG 30 H ARG 30 -2.785 -4.048 -24.387 201 HA ARG 30 HA ARG 30 -1.274 -2.413 -22.449 202 1HB ARG 30 1HB ARG 30 -0.173 -1.426 -24.457 203 2HB ARG 30 2HB ARG 30 0.120 -3.150 -24.277 204 1HG ARG 30 1HG ARG 30 -1.474 -3.667 -25.986 205 2HG ARG 30 2HG ARG 30 -1.978 -1.981 -26.092 206 1HD ARG 30 1HD ARG 30 -0.507 -2.538 -27.933 207 2HD ARG 30 2HD ARG 30 0.268 -1.377 -26.867 208 HE ARG 30 HE ARG 30 0.953 -4.099 -26.262 209 1HH1 ARG 30 1HH1 ARG 30 1.701 -1.317 -28.262 210 2HH1 ARG 30 2HH1 ARG 30 3.324 -1.834 -28.609 211 1HH2 ARG 30 1HH2 ARG 30 3.125 -4.747 -26.655 212 2HH2 ARG 30 2HH2 ARG 30 4.150 -3.755 -27.660 213 H PHE 31 H PHE 31 -1.626 -0.164 -22.372 214 HA PHE 31 HA PHE 31 -4.170 0.879 -22.814 215 1HB PHE 31 1HB PHE 31 -1.509 2.325 -22.776 216 2HB PHE 31 2HB PHE 31 -3.067 3.133 -22.744 217 HD1 PHE 31 HD1 PHE 31 -4.538 2.888 -20.770 218 HD2 PHE 31 HD2 PHE 31 -0.551 1.404 -20.828 219 HE1 PHE 31 HE1 PHE 31 -4.539 2.801 -18.311 220 HE2 PHE 31 HE2 PHE 31 -0.546 1.310 -18.373 221 HZ PHE 31 HZ PHE 31 -2.539 2.010 -17.110 222 H GLN 32 H GLN 32 -5.157 1.877 -24.547 223 HA GLN 32 HA GLN 32 -3.500 2.427 -26.899 224 1HB GLN 32 1HB GLN 32 -5.169 1.449 -28.396 225 2HB GLN 32 2HB GLN 32 -4.535 0.244 -27.295 226 1HG GLN 32 1HG GLN 32 -6.596 0.651 -25.897 227 2HG GLN 32 2HG GLN 32 -7.220 1.541 -27.291 228 1HE2 GLN 32 1HE2 GLN 32 -8.784 0.167 -27.898 229 2HE2 GLN 32 2HE2 GLN 32 -8.485 -1.431 -28.463 230 H ILE 33 H ILE 33 -3.913 4.295 -27.861 231 HA ILE 33 HA ILE 33 -6.462 5.644 -27.304 232 HB ILE 33 HB ILE 33 -4.817 6.702 -25.868 233 1HG1 ILE 33 1HG1 ILE 33 -5.440 8.440 -28.267 234 2HG1 ILE 33 2HG1 ILE 33 -6.540 8.112 -26.928 235 1HG2 ILE 33 1HG2 ILE 33 -2.803 6.080 -27.113 236 2HG2 ILE 33 2HG2 ILE 33 -2.831 7.801 -26.731 237 3HG2 ILE 33 3HG2 ILE 33 -3.219 7.254 -28.363 238 1HD1 ILE 33 1HD1 ILE 33 -3.883 9.511 -26.694 239 2HD1 ILE 33 2HD1 ILE 33 -5.055 9.250 -25.402 240 3HD1 ILE 33 3HD1 ILE 33 -5.459 10.303 -26.757 241 H TYR 34 H TYR 34 -7.423 6.484 -29.051 242 HA TYR 34 HA TYR 34 -6.225 5.824 -31.607 243 1HB TYR 34 1HB TYR 34 -8.985 6.947 -31.120 244 2HB TYR 34 2HB TYR 34 -8.420 6.037 -32.520 245 HD1 TYR 34 HD1 TYR 34 -7.828 3.584 -32.203 246 HD2 TYR 34 HD2 TYR 34 -9.901 5.854 -29.258 247 HE1 TYR 34 HE1 TYR 34 -8.591 1.502 -31.137 248 HE2 TYR 34 HE2 TYR 34 -10.666 3.779 -28.190 249 HH TYR 34 HH TYR 34 -11.043 1.419 -28.802 250 H LEU 35 H LEU 35 -6.004 7.292 -33.322 251 HA LEU 35 HA LEU 35 -4.963 9.800 -32.504 252 1HB LEU 35 1HB LEU 35 -4.448 8.236 -34.568 253 2HB LEU 35 2HB LEU 35 -5.664 9.221 -35.351 254 HG LEU 35 HG LEU 35 -3.325 9.941 -35.782 255 1HD1 LEU 35 1HD1 LEU 35 -5.053 11.942 -34.344 256 2HD1 LEU 35 2HD1 LEU 35 -5.131 11.523 -36.056 257 3HD1 LEU 35 3HD1 LEU 35 -3.700 12.327 -35.410 258 1HD2 LEU 35 1HD2 LEU 35 -2.378 9.410 -33.612 259 2HD2 LEU 35 2HD2 LEU 35 -3.361 10.663 -32.857 260 3HD2 LEU 35 3HD2 LEU 35 -2.105 11.105 -34.015 261 H ASP 36 H ASP 36 -7.980 8.764 -33.953 262 HA ASP 36 HA ASP 36 -9.079 11.196 -34.685 263 1HB ASP 36 1HB ASP 36 -10.416 8.725 -33.574 264 2HB ASP 36 2HB ASP 36 -11.266 10.061 -34.328 265 H ASP 37 H ASP 37 -9.160 9.532 -31.563 266 HA ASP 37 HA ASP 37 -10.746 11.419 -30.199 267 1HB ASP 37 1HB ASP 37 -8.680 9.465 -29.172 268 2HB ASP 37 2HB ASP 37 -9.746 10.402 -28.130 269 H MET 38 H MET 38 -7.249 11.085 -30.578 270 HA MET 38 HA MET 38 -6.511 13.185 -28.846 271 1HB MET 38 1HB MET 38 -4.971 12.247 -31.272 272 2HB MET 38 2HB MET 38 -4.325 13.064 -29.855 273 1HG MET 38 1HG MET 38 -5.091 11.092 -28.501 274 2HG MET 38 2HG MET 38 -5.430 10.275 -30.023 275 1HE MET 38 1HE MET 38 -1.286 11.457 -28.426 276 2HE MET 38 2HE MET 38 -2.793 11.524 -27.506 277 3HE MET 38 3HE MET 38 -2.509 12.659 -28.826 278 H PHE 39 H PHE 39 -7.274 13.102 -32.281 279 HA PHE 39 HA PHE 39 -6.712 15.812 -32.850 280 1HB PHE 39 1HB PHE 39 -7.000 14.186 -34.635 281 2HB PHE 39 2HB PHE 39 -8.666 13.894 -34.149 282 HD1 PHE 39 HD1 PHE 39 -10.370 15.055 -35.191 283 HD2 PHE 39 HD2 PHE 39 -6.419 16.636 -35.309 284 HE1 PHE 39 HE1 PHE 39 -11.129 16.828 -36.721 285 HE2 PHE 39 HE2 PHE 39 -7.170 18.410 -36.840 286 HZ PHE 39 HZ PHE 39 -9.528 18.508 -37.548 287 H GLU 40 H GLU 40 -9.511 14.163 -31.547 288 HA GLU 40 HA GLU 40 -11.304 16.367 -31.663 289 1HB GLU 40 1HB GLU 40 -11.272 13.813 -30.072 290 2HB GLU 40 2HB GLU 40 -12.569 14.989 -29.942 291 1HG GLU 40 1HG GLU 40 -11.744 13.614 -32.483 292 2HG GLU 40 2HG GLU 40 -13.094 13.126 -31.458 293 H GLY 41 H GLY 41 -8.657 15.683 -29.663 294 1HA GLY 41 1HA GLY 41 -7.837 17.197 -28.028 295 2HA GLY 41 2HA GLY 41 -9.479 17.777 -27.778 296 H GLU 42 H GLU 42 -9.843 14.588 -27.983 297 HA GLU 42 HA GLU 42 -10.012 14.233 -25.121 298 1HB GLU 42 1HB GLU 42 -10.603 12.308 -27.384 299 2HB GLU 42 2HB GLU 42 -10.959 12.021 -25.685 300 1HG GLU 42 1HG GLU 42 -12.078 14.291 -27.286 301 2HG GLU 42 2HG GLU 42 -12.905 12.754 -27.034 302 H LYS 43 H LYS 43 -7.792 14.426 -24.654 303 HA LYS 43 HA LYS 43 -6.081 12.312 -25.674 304 1HB LYS 43 1HB LYS 43 -4.302 13.558 -24.278 305 2HB LYS 43 2HB LYS 43 -4.896 14.296 -25.753 306 1HG LYS 43 1HG LYS 43 -4.904 16.090 -24.344 307 2HG LYS 43 2HG LYS 43 -6.554 15.516 -24.140 308 1HD LYS 43 1HD LYS 43 -5.814 14.283 -22.114 309 2HD LYS 43 2HD LYS 43 -4.219 15.011 -22.304 310 1HE LYS 43 1HE LYS 43 -5.163 17.224 -22.048 311 2HE LYS 43 2HE LYS 43 -6.787 16.547 -21.957 312 1HZ LYS 43 1HZ LYS 43 -6.118 15.381 -19.920 313 2HZ LYS 43 2HZ LYS 43 -5.977 17.064 -19.767 314 3HZ LYS 43 3HZ LYS 43 -4.587 16.119 -19.997 315 H VAL 44 H VAL 44 -6.609 10.497 -24.773 316 HA VAL 44 HA VAL 44 -5.795 9.958 -22.111 317 HB VAL 44 HB VAL 44 -7.870 10.820 -21.381 318 1HG1 VAL 44 1HG1 VAL 44 -10.031 10.182 -22.359 319 2HG1 VAL 44 2HG1 VAL 44 -9.181 9.264 -23.602 320 3HG1 VAL 44 3HG1 VAL 44 -8.988 11.016 -23.511 321 1HG2 VAL 44 1HG2 VAL 44 -9.080 8.873 -20.523 322 2HG2 VAL 44 2HG2 VAL 44 -7.335 8.650 -20.395 323 3HG2 VAL 44 3HG2 VAL 44 -8.236 7.839 -21.676 324 H ALA 45 H ALA 45 -5.107 7.913 -22.044 325 HA ALA 45 HA ALA 45 -5.789 6.203 -24.331 326 1HB ALA 45 1HB ALA 45 -3.530 5.920 -22.343 327 2HB ALA 45 2HB ALA 45 -3.397 6.645 -23.946 328 3HB ALA 45 3HB ALA 45 -3.785 4.933 -23.781 329 H VAL 46 H VAL 46 -6.948 4.420 -24.092 330 HA VAL 46 HA VAL 46 -7.704 3.627 -21.360 331 HB VAL 46 HB VAL 46 -9.600 4.311 -22.691 332 1HG1 VAL 46 1HG1 VAL 46 -10.290 3.144 -24.720 333 2HG1 VAL 46 2HG1 VAL 46 -8.819 2.174 -24.661 334 3HG1 VAL 46 3HG1 VAL 46 -8.717 3.916 -24.922 335 1HG2 VAL 46 1HG2 VAL 46 -10.989 2.283 -22.535 336 2HG2 VAL 46 2HG2 VAL 46 -9.992 2.537 -21.104 337 3HG2 VAL 46 3HG2 VAL 46 -9.525 1.326 -22.299 338 H CYS 47 H CYS 47 -7.235 1.651 -20.654 339 HA CYS 47 HA CYS 47 -6.002 -0.155 -22.581 340 1HB CYS 47 1HB CYS 47 -4.690 0.516 -20.544 341 2HB CYS 47 2HB CYS 47 -5.899 -0.295 -19.565 342 HA PRO 48 HA PRO 48 -9.666 -2.709 -22.204 343 1HB PRO 48 1HB PRO 48 -8.633 -4.770 -23.688 344 2HB PRO 48 2HB PRO 48 -9.391 -3.337 -24.393 345 1HG PRO 48 1HG PRO 48 -6.491 -3.969 -24.031 346 2HG PRO 48 2HG PRO 48 -7.311 -3.198 -25.403 347 1HD PRO 48 1HD PRO 48 -5.920 -1.791 -23.554 348 2HD PRO 48 2HD PRO 48 -7.349 -1.135 -24.379 349 H SER 49 H SER 49 -10.139 -4.655 -21.134 350 HA SER 49 HA SER 49 -9.817 -6.541 -19.873 351 1HB SER 49 1HB SER 49 -7.752 -7.173 -20.893 352 2HB SER 49 2HB SER 49 -6.883 -5.852 -20.120 353 HG SER 49 HG SER 49 -6.711 -6.981 -18.343 354 H CYS 50 H CYS 50 -7.540 -4.002 -18.767 355 HA CYS 50 HA CYS 50 -8.595 -4.380 -16.070 356 1HB CYS 50 1HB CYS 50 -6.756 -3.050 -15.297 357 2HB CYS 50 2HB CYS 50 -6.128 -4.194 -16.476 358 H SER 51 H SER 51 -8.780 -2.218 -18.736 359 HA SER 51 HA SER 51 -10.211 -0.538 -19.226 360 1HB SER 51 1HB SER 51 -11.904 -1.954 -18.089 361 2HB SER 51 2HB SER 51 -11.513 -1.168 -16.560 362 HG SER 51 HG SER 51 -12.153 0.826 -17.564 363 H LEU 52 H LEU 52 -7.733 0.144 -18.156 364 HA LEU 52 HA LEU 52 -8.308 2.264 -16.233 365 1HB LEU 52 1HB LEU 52 -6.490 0.739 -15.649 366 2HB LEU 52 2HB LEU 52 -5.671 1.118 -17.151 367 HG LEU 52 HG LEU 52 -5.336 3.433 -16.397 368 1HD1 LEU 52 1HD1 LEU 52 -5.853 4.088 -14.119 369 2HD1 LEU 52 2HD1 LEU 52 -6.595 2.518 -13.816 370 3HD1 LEU 52 3HD1 LEU 52 -7.325 3.630 -14.976 371 1HD2 LEU 52 1HD2 LEU 52 -3.717 2.965 -14.627 372 2HD2 LEU 52 2HD2 LEU 52 -3.617 1.777 -15.927 373 3HD2 LEU 52 3HD2 LEU 52 -4.418 1.362 -14.411 374 H MET 53 H MET 53 -7.858 4.361 -16.649 375 HA MET 53 HA MET 53 -7.077 5.074 -19.387 376 1HB MET 53 1HB MET 53 -9.438 6.157 -17.841 377 2HB MET 53 2HB MET 53 -8.820 6.870 -19.326 378 1HG MET 53 1HG MET 53 -9.435 5.004 -20.608 379 2HG MET 53 2HG MET 53 -9.698 4.013 -19.175 380 1HE MET 53 1HE MET 53 -12.966 5.496 -17.684 381 2HE MET 53 2HE MET 53 -11.297 5.867 -17.248 382 3HE MET 53 3HE MET 53 -11.771 4.202 -17.590 383 H ILE 54 H ILE 54 -5.760 6.806 -19.565 384 HA ILE 54 HA ILE 54 -5.468 8.623 -17.292 385 HB ILE 54 HB ILE 54 -3.118 8.506 -17.146 386 1HG1 ILE 54 1HG1 ILE 54 -2.623 8.361 -19.560 387 2HG1 ILE 54 2HG1 ILE 54 -1.660 7.233 -18.617 388 1HG2 ILE 54 1HG2 ILE 54 -4.191 5.707 -17.375 389 2HG2 ILE 54 2HG2 ILE 54 -4.116 6.721 -15.933 390 3HG2 ILE 54 3HG2 ILE 54 -2.629 6.119 -16.664 391 1HD1 ILE 54 1HD1 ILE 54 -4.083 6.575 -20.272 392 2HD1 ILE 54 2HD1 ILE 54 -3.175 5.423 -19.289 393 3HD1 ILE 54 3HD1 ILE 54 -2.402 6.213 -20.664 394 H ASP 55 H ASP 55 -4.682 10.697 -17.875 395 HA ASP 55 HA ASP 55 -5.309 11.552 -20.521 396 1HB ASP 55 1HB ASP 55 -3.824 12.949 -18.285 397 2HB ASP 55 2HB ASP 55 -4.265 13.720 -19.797 398 H VAL 56 H VAL 56 -3.846 12.472 -22.077 399 HA VAL 56 HA VAL 56 -1.007 11.800 -21.711 400 HB VAL 56 HB VAL 56 -2.602 11.228 -24.208 401 1HG1 VAL 56 1HG1 VAL 56 -0.517 10.352 -25.146 402 2HG1 VAL 56 2HG1 VAL 56 0.347 10.851 -23.693 403 3HG1 VAL 56 3HG1 VAL 56 -0.363 12.067 -24.756 404 1HG2 VAL 56 1HG2 VAL 56 -1.959 8.884 -23.803 405 2HG2 VAL 56 2HG2 VAL 56 -2.946 9.539 -22.496 406 3HG2 VAL 56 3HG2 VAL 56 -1.202 9.373 -22.288 407 H VAL 57 H VAL 57 0.259 13.519 -22.067 408 HA VAL 57 HA VAL 57 -0.821 15.954 -23.154 409 HB VAL 57 HB VAL 57 2.070 15.337 -22.507 410 1HG1 VAL 57 1HG1 VAL 57 1.799 17.290 -23.917 411 2HG1 VAL 57 2HG1 VAL 57 2.292 17.770 -22.294 412 3HG1 VAL 57 3HG1 VAL 57 0.611 17.959 -22.799 413 1HG2 VAL 57 1HG2 VAL 57 0.707 14.960 -20.542 414 2HG2 VAL 57 2HG2 VAL 57 -0.072 16.527 -20.751 415 3HG2 VAL 57 3HG2 VAL 57 1.644 16.444 -20.352 416 H PHE 58 H PHE 58 -1.201 16.026 -25.280 417 HA PHE 58 HA PHE 58 0.746 14.770 -27.092 418 1HB PHE 58 1HB PHE 58 -1.019 14.497 -28.682 419 2HB PHE 58 2HB PHE 58 -1.629 13.930 -27.132 420 HD1 PHE 58 HD1 PHE 58 -3.033 15.617 -25.757 421 HD2 PHE 58 HD2 PHE 58 -2.223 16.042 -29.910 422 HE1 PHE 58 HE1 PHE 58 -4.970 17.114 -25.975 423 HE2 PHE 58 HE2 PHE 58 -4.160 17.541 -30.138 424 HZ PHE 58 HZ PHE 58 -5.538 18.076 -28.168 425 H ASP 59 H ASP 59 1.008 15.846 -29.217 426 HA ASP 59 HA ASP 59 0.544 18.746 -29.109 427 1HB ASP 59 1HB ASP 59 2.972 18.086 -28.696 428 2HB ASP 59 2HB ASP 59 3.002 17.520 -30.354 429 H LYS 60 H LYS 60 0.081 19.715 -31.085 430 HA LYS 60 HA LYS 60 -1.240 18.082 -32.976 431 1HB LYS 60 1HB LYS 60 -0.494 20.984 -32.897 432 2HB LYS 60 2HB LYS 60 -1.130 20.285 -34.380 433 1HG LYS 60 1HG LYS 60 -2.949 21.272 -33.213 434 2HG LYS 60 2HG LYS 60 -3.123 19.524 -33.073 435 1HD LYS 60 1HD LYS 60 -2.063 19.662 -30.824 436 2HD LYS 60 2HD LYS 60 -2.075 21.421 -30.973 437 1HE LYS 60 1HE LYS 60 -4.541 21.328 -31.243 438 2HE LYS 60 2HE LYS 60 -4.474 19.588 -30.960 439 1HZ LYS 60 1HZ LYS 60 -3.442 20.098 -28.770 440 2HZ LYS 60 2HZ LYS 60 -5.036 20.656 -28.922 441 3HZ LYS 60 3HZ LYS 60 -3.741 21.743 -29.053 442 H GLU 61 H GLU 61 2.028 19.375 -32.820 443 HA GLU 61 HA GLU 61 2.661 18.722 -35.540 444 1HB GLU 61 1HB GLU 61 4.314 19.473 -33.145 445 2HB GLU 61 2HB GLU 61 5.068 18.966 -34.651 446 1HG GLU 61 1HG GLU 61 3.139 21.260 -34.386 447 2HG GLU 61 2HG GLU 61 4.896 21.414 -34.418 448 H ASP 62 H ASP 62 3.158 17.140 -32.397 449 HA ASP 62 HA ASP 62 4.504 14.868 -33.338 450 1HB ASP 62 1HB ASP 62 2.727 15.372 -30.974 451 2HB ASP 62 2HB ASP 62 3.283 13.739 -31.325 452 H LEU 63 H LEU 63 1.055 15.590 -33.119 453 HA LEU 63 HA LEU 63 0.124 13.081 -33.994 454 1HB LEU 63 1HB LEU 63 -1.133 15.808 -34.295 455 2HB LEU 63 2HB LEU 63 -1.959 14.292 -34.593 456 HG LEU 63 HG LEU 63 -0.939 15.312 -31.945 457 1HD1 LEU 63 1HD1 LEU 63 -3.302 15.267 -31.330 458 2HD1 LEU 63 2HD1 LEU 63 -3.716 14.739 -32.961 459 3HD1 LEU 63 3HD1 LEU 63 -3.011 16.334 -32.705 460 1HD2 LEU 63 1HD2 LEU 63 -1.866 13.279 -30.968 461 2HD2 LEU 63 2HD2 LEU 63 -0.575 12.899 -32.109 462 3HD2 LEU 63 3HD2 LEU 63 -2.262 12.675 -32.578 463 H ALA 64 H ALA 64 0.788 16.085 -35.777 464 HA ALA 64 HA ALA 64 -0.025 15.197 -38.302 465 1HB ALA 64 1HB ALA 64 2.092 17.240 -37.651 466 2HB ALA 64 2HB ALA 64 0.357 17.546 -37.735 467 3HB ALA 64 3HB ALA 64 1.240 17.072 -39.186 468 H GLU 65 H GLU 65 3.151 15.040 -36.743 469 HA GLU 65 HA GLU 65 4.596 14.032 -38.941 470 1HB GLU 65 1HB GLU 65 5.568 14.967 -36.833 471 2HB GLU 65 2HB GLU 65 5.069 13.502 -36.002 472 1HG GLU 65 1HG GLU 65 7.359 13.264 -36.489 473 2HG GLU 65 2HG GLU 65 6.490 12.219 -37.613 474 H TYR 66 H TYR 66 3.171 12.355 -36.158 475 HA TYR 66 HA TYR 66 3.773 9.750 -37.018 476 1HB TYR 66 1HB TYR 66 3.284 10.171 -34.710 477 2HB TYR 66 2HB TYR 66 1.696 10.821 -35.105 478 HD1 TYR 66 HD1 TYR 66 -0.171 9.439 -35.105 479 HD2 TYR 66 HD2 TYR 66 3.704 7.686 -35.226 480 HE1 TYR 66 HE1 TYR 66 -1.174 7.218 -34.810 481 HE2 TYR 66 HE2 TYR 66 2.705 5.461 -34.933 482 HH TYR 66 HH TYR 66 0.548 4.536 -33.946 483 H TYR 67 H TYR 67 0.981 11.818 -37.545 484 HA TYR 67 HA TYR 67 -0.828 10.036 -38.636 485 1HB TYR 67 1HB TYR 67 -1.842 12.050 -38.476 486 2HB TYR 67 2HB TYR 67 -0.354 12.937 -38.760 487 HD1 TYR 67 HD1 TYR 67 -2.903 10.908 -40.612 488 HD2 TYR 67 HD2 TYR 67 -0.123 14.129 -40.714 489 HE1 TYR 67 HE1 TYR 67 -3.674 11.498 -42.876 490 HE2 TYR 67 HE2 TYR 67 -0.883 14.724 -42.971 491 HH TYR 67 HH TYR 67 -1.957 13.604 -44.894 492 H GLU 68 H GLU 68 1.821 11.736 -40.254 493 HA GLU 68 HA GLU 68 1.227 10.713 -42.834 494 1HB GLU 68 1HB GLU 68 3.640 12.035 -41.619 495 2HB GLU 68 2HB GLU 68 3.690 11.400 -43.257 496 1HG GLU 68 1HG GLU 68 1.603 13.360 -42.359 497 2HG GLU 68 2HG GLU 68 3.171 13.860 -42.990 498 H GLU 69 H GLU 69 3.279 9.589 -40.208 499 HA GLU 69 HA GLU 69 4.575 7.580 -41.782 500 1HB GLU 69 1HB GLU 69 4.482 8.190 -38.843 501 2HB GLU 69 2HB GLU 69 5.253 6.727 -39.444 502 1HG GLU 69 1HG GLU 69 6.656 8.203 -40.919 503 2HG GLU 69 2HG GLU 69 6.006 9.576 -40.024 504 H ALA 70 H ALA 70 1.761 7.653 -39.689 505 HA ALA 70 HA ALA 70 1.510 4.758 -39.756 506 1HB ALA 70 1HB ALA 70 -0.291 6.830 -38.513 507 2HB ALA 70 2HB ALA 70 1.009 5.966 -37.693 508 3HB ALA 70 3HB ALA 70 -0.400 5.085 -38.284 509 H GLY 71 H GLY 71 0.339 7.467 -41.525 510 1HA GLY 71 1HA GLY 71 -0.986 7.535 -43.417 511 2HA GLY 71 2HA GLY 71 -1.111 5.781 -43.339 512 H ILE 72 H ILE 72 -2.116 8.559 -41.373 513 HA ILE 72 HA ILE 72 -4.532 7.059 -40.641 514 HB ILE 72 HB ILE 72 -3.669 9.663 -39.397 515 1HG1 ILE 72 1HG1 ILE 72 -2.743 6.881 -38.649 516 2HG1 ILE 72 2HG1 ILE 72 -1.736 8.144 -39.352 517 1HG2 ILE 72 1HG2 ILE 72 -5.895 8.855 -38.820 518 2HG2 ILE 72 2HG2 ILE 72 -4.822 8.741 -37.425 519 3HG2 ILE 72 3HG2 ILE 72 -5.222 7.295 -38.351 520 1HD1 ILE 72 1HD1 ILE 72 -3.099 8.284 -36.673 521 2HD1 ILE 72 2HD1 ILE 72 -2.039 9.508 -37.373 522 3HD1 ILE 72 3HD1 ILE 72 -1.395 7.923 -36.949 523 H HIS 73 H HIS 73 -6.526 8.485 -40.292 524 HA HIS 73 HA HIS 73 -7.476 9.691 -42.583 525 1HB HIS 73 1HB HIS 73 -8.921 8.986 -40.741 526 2HB HIS 73 2HB HIS 73 -8.244 10.234 -39.704 527 HD1 HIS 73 HD1 HIS 73 -10.457 9.806 -42.725 528 HD2 HIS 73 HD2 HIS 73 -9.438 12.706 -39.915 529 HE1 HIS 73 HE1 HIS 73 -12.078 11.705 -43.081 530 HE2 HIS 73 HE2 HIS 73 -11.471 13.431 -41.350 531 HA PRO 74 HA PRO 74 -5.088 13.440 -42.742 532 1HB PRO 74 1HB PRO 74 -6.632 14.703 -44.627 533 2HB PRO 74 2HB PRO 74 -5.404 13.492 -45.003 534 1HG PRO 74 1HG PRO 74 -8.368 13.178 -44.770 535 2HG PRO 74 2HG PRO 74 -7.254 12.466 -45.952 536 1HD PRO 74 1HD PRO 74 -8.209 11.058 -43.865 537 2HD PRO 74 2HD PRO 74 -6.569 10.805 -44.497 538 HA PRO 75 HA PRO 75 -7.770 16.073 -40.235 539 1HB PRO 75 1HB PRO 75 -5.865 16.925 -38.567 540 2HB PRO 75 2HB PRO 75 -6.530 15.294 -38.426 541 1HG PRO 75 1HG PRO 75 -3.913 16.184 -39.512 542 2HG PRO 75 2HG PRO 75 -4.334 14.680 -38.676 543 1HD PRO 75 1HD PRO 75 -4.084 15.065 -41.471 544 2HD PRO 75 2HD PRO 75 -4.715 13.628 -40.643 545 H GLU 76 H GLU 76 -7.760 18.429 -39.915 546 HA GLU 76 HA GLU 76 -6.660 19.810 -42.165 547 1HB GLU 76 1HB GLU 76 -8.131 20.817 -39.721 548 2HB GLU 76 2HB GLU 76 -7.597 21.858 -41.032 549 1HG GLU 76 1HG GLU 76 -9.835 21.451 -41.503 550 2HG GLU 76 2HG GLU 76 -8.970 20.341 -42.561 551 HA PRO 77 HA PRO 77 -2.737 20.290 -40.215 552 1HB PRO 77 1HB PRO 77 -1.537 21.712 -42.186 553 2HB PRO 77 2HB PRO 77 -1.854 19.977 -42.308 554 1HG PRO 77 1HG PRO 77 -3.381 22.272 -43.464 555 2HG PRO 77 2HG PRO 77 -2.969 20.715 -44.203 556 1HD PRO 77 1HD PRO 77 -5.417 21.263 -43.152 557 2HD PRO 77 2HD PRO 77 -4.721 19.631 -43.190 558 H ILE 78 H ILE 78 -1.616 21.753 -39.060 559 HA ILE 78 HA ILE 78 -2.772 24.430 -38.806 560 HB ILE 78 HB ILE 78 -1.396 24.642 -36.784 561 1HG1 ILE 78 1HG1 ILE 78 -0.527 21.789 -37.311 562 2HG1 ILE 78 2HG1 ILE 78 0.481 23.201 -37.613 563 1HG2 ILE 78 1HG2 ILE 78 -2.979 22.074 -36.883 564 2HG2 ILE 78 2HG2 ILE 78 -3.624 23.687 -36.580 565 3HG2 ILE 78 3HG2 ILE 78 -2.525 22.944 -35.417 566 1HD1 ILE 78 1HD1 ILE 78 1.087 22.172 -35.523 567 2HD1 ILE 78 2HD1 ILE 78 -0.575 22.291 -34.945 568 3HD1 ILE 78 3HD1 ILE 78 0.370 23.755 -35.218 569 H ALA 79 H ALA 79 -0.845 26.059 -38.106 570 HA ALA 79 HA ALA 79 1.236 25.826 -40.170 571 1HB ALA 79 1HB ALA 79 1.140 28.238 -40.495 572 2HB ALA 79 2HB ALA 79 -0.162 28.354 -39.312 573 3HB ALA 79 3HB ALA 79 -0.422 27.492 -40.828 574 H ALA 80 H ALA 80 2.727 24.982 -38.680 575 HA ALA 80 HA ALA 80 3.380 26.559 -36.340 576 1HB ALA 80 1HB ALA 80 5.018 24.839 -35.843 577 2HB ALA 80 2HB ALA 80 4.754 24.101 -37.422 578 3HB ALA 80 3HB ALA 80 3.460 24.106 -36.225 579 H ALA 81 H ALA 81 3.959 28.500 -37.410 580 HA ALA 81 HA ALA 81 6.380 28.427 -39.046 581 1HB ALA 81 1HB ALA 81 4.532 30.732 -38.423 582 2HB ALA 81 2HB ALA 81 4.459 29.722 -39.865 583 3HB ALA 81 3HB ALA 81 5.862 30.751 -39.581 584 H ALA 82 H ALA 82 5.401 28.991 -35.856 585 HA ALA 82 HA ALA 82 8.025 29.553 -34.951 586 1HB ALA 82 1HB ALA 82 7.488 31.795 -35.799 587 2HB ALA 82 2HB ALA 82 7.678 31.785 -34.047 588 3HB ALA 82 3HB ALA 82 6.064 31.842 -34.758 Start of MODEL 19 1 1H MET 1 1H MET 1 -11.923 6.142 -10.937 2 HA MET 1 HA MET 1 -14.027 6.240 -12.874 3 1HB MET 1 1HB MET 1 -14.482 6.365 -10.459 4 2HB MET 1 2HB MET 1 -13.614 7.893 -10.379 5 1HG MET 1 1HG MET 1 -15.269 8.899 -11.887 6 2HG MET 1 2HG MET 1 -16.148 7.371 -11.923 7 1HE MET 1 1HE MET 1 -18.422 8.592 -11.141 8 2HE MET 1 2HE MET 1 -17.509 10.096 -11.244 9 3HE MET 1 3HE MET 1 -18.457 9.739 -9.802 10 H SER 2 H SER 2 -11.322 8.163 -12.047 11 HA SER 2 HA SER 2 -11.910 9.966 -14.281 12 1HB SER 2 1HB SER 2 -10.691 10.813 -11.635 13 2HB SER 2 2HB SER 2 -11.007 11.858 -13.019 14 HG SER 2 HG SER 2 -12.636 11.311 -11.036 15 H THR 3 H THR 3 -9.793 11.144 -14.929 16 HA THR 3 HA THR 3 -7.700 9.140 -15.112 17 HB THR 3 HB THR 3 -6.641 10.889 -16.635 18 HG1 THR 3 HG1 THR 3 -7.720 12.690 -17.059 19 1HG2 THR 3 1HG2 THR 3 -9.383 9.847 -17.353 20 2HG2 THR 3 2HG2 THR 3 -7.877 8.936 -17.449 21 3HG2 THR 3 3HG2 THR 3 -8.126 10.337 -18.489 22 H TYR 4 H TYR 4 -6.299 9.046 -13.490 23 HA TYR 4 HA TYR 4 -5.739 11.474 -11.953 24 1HB TYR 4 1HB TYR 4 -5.198 8.572 -11.293 25 2HB TYR 4 2HB TYR 4 -4.838 9.933 -10.236 26 HD1 TYR 4 HD1 TYR 4 -7.326 7.590 -11.300 27 HD2 TYR 4 HD2 TYR 4 -6.780 11.373 -9.439 28 HE1 TYR 4 HE1 TYR 4 -9.599 7.455 -10.370 29 HE2 TYR 4 HE2 TYR 4 -9.048 11.249 -8.503 30 HH TYR 4 HH TYR 4 -11.162 10.141 -8.940 31 H ASP 5 H ASP 5 -4.408 9.940 -14.497 32 HA ASP 5 HA ASP 5 -1.751 10.985 -13.840 33 1HB ASP 5 1HB ASP 5 -2.429 8.226 -14.711 34 2HB ASP 5 2HB ASP 5 -1.005 8.963 -15.436 35 H GLU 6 H GLU 6 -0.414 11.326 -15.799 36 HA GLU 6 HA GLU 6 -1.754 11.633 -18.322 37 1HB GLU 6 1HB GLU 6 -2.658 13.582 -17.182 38 2HB GLU 6 2HB GLU 6 -1.050 14.075 -16.675 39 1HG GLU 6 1HG GLU 6 -0.428 14.559 -18.944 40 2HG GLU 6 2HG GLU 6 -1.955 13.908 -19.539 41 H ILE 7 H ILE 7 -0.219 11.219 -19.819 42 HA ILE 7 HA ILE 7 2.580 11.825 -19.070 43 HB ILE 7 HB ILE 7 1.885 9.538 -20.897 44 1HG1 ILE 7 1HG1 ILE 7 2.476 8.214 -18.636 45 2HG1 ILE 7 2HG1 ILE 7 1.676 9.619 -17.936 46 1HG2 ILE 7 1HG2 ILE 7 4.078 8.700 -20.145 47 2HG2 ILE 7 2HG2 ILE 7 4.269 10.149 -19.157 48 3HG2 ILE 7 3HG2 ILE 7 4.181 10.284 -20.913 49 1HD1 ILE 7 1HD1 ILE 7 0.510 7.783 -20.010 50 2HD1 ILE 7 2HD1 ILE 7 -0.295 9.173 -19.278 51 3HD1 ILE 7 3HD1 ILE 7 0.134 7.779 -18.286 52 H GLU 8 H GLU 8 4.032 12.109 -20.938 53 HA GLU 8 HA GLU 8 2.867 13.795 -22.927 54 1HB GLU 8 1HB GLU 8 5.667 12.666 -22.783 55 2HB GLU 8 2HB GLU 8 5.142 14.025 -23.765 56 1HG GLU 8 1HG GLU 8 4.632 15.291 -21.738 57 2HG GLU 8 2HG GLU 8 5.171 13.927 -20.759 58 H ILE 9 H ILE 9 2.718 13.435 -25.144 59 HA ILE 9 HA ILE 9 1.876 10.900 -25.947 60 HB ILE 9 HB ILE 9 1.132 12.933 -27.056 61 1HG1 ILE 9 1HG1 ILE 9 2.631 11.164 -28.991 62 2HG1 ILE 9 2HG1 ILE 9 1.062 10.789 -28.291 63 1HG2 ILE 9 1HG2 ILE 9 2.579 14.145 -28.621 64 2HG2 ILE 9 2HG2 ILE 9 3.940 13.145 -28.119 65 3HG2 ILE 9 3HG2 ILE 9 3.173 14.233 -26.963 66 1HD1 ILE 9 1HD1 ILE 9 0.114 12.764 -29.387 67 2HD1 ILE 9 2HD1 ILE 9 0.821 11.633 -30.542 68 3HD1 ILE 9 3HD1 ILE 9 1.689 13.104 -30.105 69 H GLU 10 H GLU 10 5.034 12.364 -26.023 70 HA GLU 10 HA GLU 10 6.215 10.618 -27.907 71 1HB GLU 10 1HB GLU 10 8.376 11.457 -27.000 72 2HB GLU 10 2HB GLU 10 7.260 12.727 -27.476 73 1HG GLU 10 1HG GLU 10 6.681 13.142 -25.181 74 2HG GLU 10 2HG GLU 10 7.673 11.781 -24.651 75 H ASP 11 H ASP 11 5.597 10.306 -24.481 76 HA ASP 11 HA ASP 11 7.491 8.159 -24.115 77 1HB ASP 11 1HB ASP 11 6.871 9.685 -22.248 78 2HB ASP 11 2HB ASP 11 5.236 9.033 -22.296 79 H MET 12 H MET 12 4.083 8.508 -24.793 80 HA MET 12 HA MET 12 3.297 5.815 -24.512 81 1HB MET 12 1HB MET 12 2.284 8.010 -26.326 82 2HB MET 12 2HB MET 12 1.496 6.449 -26.150 83 1HG MET 12 1HG MET 12 2.003 8.289 -23.833 84 2HG MET 12 2HG MET 12 0.538 8.357 -24.812 85 1HE MET 12 1HE MET 12 -1.231 6.439 -24.982 86 2HE MET 12 2HE MET 12 -1.088 4.880 -24.167 87 3HE MET 12 3HE MET 12 0.011 5.289 -25.482 88 H THR 13 H THR 13 3.712 4.060 -25.746 89 HA THR 13 HA THR 13 5.632 4.266 -27.837 90 HB THR 13 HB THR 13 4.008 1.877 -26.940 91 HG1 THR 13 HG1 THR 13 6.475 3.034 -26.147 92 1HG2 THR 13 1HG2 THR 13 5.736 0.533 -28.033 93 2HG2 THR 13 2HG2 THR 13 6.536 2.001 -28.596 94 3HG2 THR 13 3HG2 THR 13 4.933 1.584 -29.201 95 H PHE 14 H PHE 14 5.270 4.702 -29.878 96 HA PHE 14 HA PHE 14 2.618 4.967 -30.899 97 1HB PHE 14 1HB PHE 14 3.722 5.729 -32.961 98 2HB PHE 14 2HB PHE 14 4.366 6.546 -31.542 99 HD1 PHE 14 HD1 PHE 14 6.600 5.816 -30.633 100 HD2 PHE 14 HD2 PHE 14 5.117 4.503 -34.404 101 HE1 PHE 14 HE1 PHE 14 8.880 5.179 -31.309 102 HE2 PHE 14 HE2 PHE 14 7.392 3.863 -35.080 103 HZ PHE 14 HZ PHE 14 9.275 4.199 -33.533 104 H GLU 15 H GLU 15 1.521 3.711 -32.309 105 HA GLU 15 HA GLU 15 2.892 1.354 -33.386 106 1HB GLU 15 1HB GLU 15 1.444 0.750 -31.436 107 2HB GLU 15 2HB GLU 15 0.061 1.351 -32.343 108 1HG GLU 15 1HG GLU 15 0.419 -0.317 -34.052 109 2HG GLU 15 2HG GLU 15 1.858 -0.895 -33.217 110 HA PRO 16 HA PRO 16 1.285 3.913 -36.805 111 1HB PRO 16 1HB PRO 16 2.945 2.702 -38.652 112 2HB PRO 16 2HB PRO 16 3.364 4.130 -37.701 113 1HG PRO 16 1HG PRO 16 4.074 1.266 -37.243 114 2HG PRO 16 2HG PRO 16 5.064 2.720 -37.017 115 1HD PRO 16 1HD PRO 16 3.934 1.443 -34.945 116 2HD PRO 16 2HD PRO 16 4.095 3.210 -34.975 117 H GLU 17 H GLU 17 1.731 0.420 -36.678 118 HA GLU 17 HA GLU 17 0.365 -0.223 -39.045 119 1HB GLU 17 1HB GLU 17 0.810 -1.828 -36.534 120 2HB GLU 17 2HB GLU 17 0.117 -2.491 -38.008 121 1HG GLU 17 1HG GLU 17 2.152 -2.023 -39.221 122 2HG GLU 17 2HG GLU 17 2.842 -1.231 -37.805 123 H ASN 18 H ASN 18 -0.819 0.539 -35.856 124 HA ASN 18 HA ASN 18 -3.549 -0.051 -36.790 125 1HB ASN 18 1HB ASN 18 -2.290 -0.245 -34.089 126 2HB ASN 18 2HB ASN 18 -3.998 0.167 -34.187 127 1HD2 ASN 18 1HD2 ASN 18 -1.613 -2.298 -34.661 128 2HD2 ASN 18 2HD2 ASN 18 -2.721 -3.595 -34.940 129 H GLN 19 H GLN 19 -1.521 2.402 -36.635 130 HA GLN 19 HA GLN 19 -1.676 4.668 -36.628 131 1HB GLN 19 1HB GLN 19 -4.606 4.022 -36.996 132 2HB GLN 19 2HB GLN 19 -3.962 5.652 -37.062 133 1HG GLN 19 1HG GLN 19 -4.113 5.085 -39.283 134 2HG GLN 19 2HG GLN 19 -2.428 4.726 -38.920 135 1HE2 GLN 19 1HE2 GLN 19 -1.705 2.651 -39.051 136 2HE2 GLN 19 2HE2 GLN 19 -2.674 1.337 -39.623 137 H MET 20 H MET 20 -1.683 3.343 -34.032 138 HA MET 20 HA MET 20 -3.034 5.420 -32.476 139 1HB MET 20 1HB MET 20 -4.158 3.849 -31.015 140 2HB MET 20 2HB MET 20 -4.669 3.567 -32.673 141 1HG MET 20 1HG MET 20 -3.210 1.654 -32.838 142 2HG MET 20 2HG MET 20 -2.574 1.964 -31.224 143 1HE MET 20 1HE MET 20 -3.070 -0.515 -30.457 144 2HE MET 20 2HE MET 20 -3.633 -0.858 -32.092 145 3HE MET 20 3HE MET 20 -4.621 -1.317 -30.707 146 H PHE 21 H PHE 21 -2.340 5.504 -30.251 147 HA PHE 21 HA PHE 21 0.384 4.498 -29.910 148 1HB PHE 21 1HB PHE 21 -1.239 6.530 -28.372 149 2HB PHE 21 2HB PHE 21 0.344 5.969 -27.846 150 HD1 PHE 21 HD1 PHE 21 2.348 6.589 -29.062 151 HD2 PHE 21 HD2 PHE 21 -1.486 8.003 -30.259 152 HE1 PHE 21 HE1 PHE 21 3.422 8.300 -30.464 153 HE2 PHE 21 HE2 PHE 21 -0.417 9.714 -31.665 154 HZ PHE 21 HZ PHE 21 2.037 9.863 -31.768 155 H THR 22 H THR 22 0.987 3.138 -28.267 156 HA THR 22 HA THR 22 -1.132 2.108 -26.527 157 HB THR 22 HB THR 22 -0.231 -0.234 -26.941 158 HG1 THR 22 HG1 THR 22 1.525 1.031 -28.384 159 1HG2 THR 22 1HG2 THR 22 -1.630 1.187 -29.210 160 2HG2 THR 22 2HG2 THR 22 -2.398 0.463 -27.795 161 3HG2 THR 22 3HG2 THR 22 -1.581 -0.561 -28.977 162 H TYR 23 H TYR 23 -0.430 1.421 -24.520 163 HA TYR 23 HA TYR 23 2.452 1.731 -24.006 164 1HB TYR 23 1HB TYR 23 0.898 3.647 -23.225 165 2HB TYR 23 2HB TYR 23 0.357 2.511 -21.994 166 HD1 TYR 23 HD1 TYR 23 3.377 4.175 -23.350 167 HD2 TYR 23 HD2 TYR 23 1.592 2.227 -20.016 168 HE1 TYR 23 HE1 TYR 23 5.297 4.815 -21.959 169 HE2 TYR 23 HE2 TYR 23 3.509 2.861 -18.617 170 HH TYR 23 HH TYR 23 5.877 5.127 -19.689 171 HA PRO 24 HA PRO 24 2.090 -2.529 -22.763 172 1HB PRO 24 1HB PRO 24 4.536 -1.691 -21.270 173 2HB PRO 24 2HB PRO 24 4.270 -3.116 -22.281 174 1HG PRO 24 1HG PRO 24 5.658 -1.046 -23.206 175 2HG PRO 24 2HG PRO 24 4.534 -1.928 -24.256 176 1HD PRO 24 1HD PRO 24 4.232 0.754 -22.998 177 2HD PRO 24 2HD PRO 24 3.609 0.156 -24.546 178 H CYS 25 H CYS 25 0.669 -3.097 -21.282 179 HA CYS 25 HA CYS 25 1.048 -2.225 -18.500 180 1HB CYS 25 1HB CYS 25 -0.831 -0.966 -19.328 181 2HB CYS 25 2HB CYS 25 -1.522 -2.392 -20.088 182 HA PRO 26 HA PRO 26 0.663 -6.643 -17.980 183 1HB PRO 26 1HB PRO 26 0.956 -6.471 -15.180 184 2HB PRO 26 2HB PRO 26 2.234 -6.767 -16.356 185 1HG PRO 26 1HG PRO 26 1.927 -4.479 -14.744 186 2HG PRO 26 2HG PRO 26 3.048 -4.674 -16.100 187 1HD PRO 26 1HD PRO 26 0.432 -3.285 -15.992 188 2HD PRO 26 2HD PRO 26 1.841 -2.974 -17.028 189 H CYS 27 H CYS 27 -1.242 -7.549 -18.096 190 HA CYS 27 HA CYS 27 -3.102 -7.875 -16.077 191 1HB CYS 27 1HB CYS 27 -4.942 -6.407 -16.704 192 2HB CYS 27 2HB CYS 27 -3.526 -5.420 -16.360 193 H GLY 28 H GLY 28 -2.776 -7.221 -19.505 194 1HA GLY 28 1HA GLY 28 -3.006 -9.715 -20.557 195 2HA GLY 28 2HA GLY 28 -4.679 -9.230 -20.296 196 H ASP 29 H ASP 29 -3.957 -6.384 -20.710 197 HA ASP 29 HA ASP 29 -3.320 -6.358 -23.569 198 1HB ASP 29 1HB ASP 29 -5.920 -6.291 -22.837 199 2HB ASP 29 2HB ASP 29 -5.539 -4.573 -22.748 200 H ARG 30 H ARG 30 -3.330 -3.842 -24.236 201 HA ARG 30 HA ARG 30 -1.753 -2.514 -22.124 202 1HB ARG 30 1HB ARG 30 -0.353 -1.564 -23.933 203 2HB ARG 30 2HB ARG 30 -0.257 -3.317 -23.842 204 1HG ARG 30 1HG ARG 30 -2.325 -2.797 -25.642 205 2HG ARG 30 2HG ARG 30 -1.055 -1.634 -26.033 206 1HD ARG 30 1HD ARG 30 -0.778 -3.705 -27.301 207 2HD ARG 30 2HD ARG 30 0.567 -3.446 -26.189 208 HE ARG 30 HE ARG 30 -0.509 -5.094 -24.703 209 1HH1 ARG 30 1HH1 ARG 30 -1.424 -5.029 -28.076 210 2HH1 ARG 30 2HH1 ARG 30 -1.914 -6.688 -28.117 211 1HH2 ARG 30 1HH2 ARG 30 -1.141 -7.315 -24.758 212 2HH2 ARG 30 2HH2 ARG 30 -1.736 -7.989 -26.251 213 H PHE 31 H PHE 31 -1.745 -0.187 -22.162 214 HA PHE 31 HA PHE 31 -4.225 1.038 -22.516 215 1HB PHE 31 1HB PHE 31 -1.464 2.279 -22.455 216 2HB PHE 31 2HB PHE 31 -2.957 3.203 -22.384 217 HD1 PHE 31 HD1 PHE 31 -0.584 1.198 -20.550 218 HD2 PHE 31 HD2 PHE 31 -4.440 2.991 -20.418 219 HE1 PHE 31 HE1 PHE 31 -0.602 0.970 -18.101 220 HE2 PHE 31 HE2 PHE 31 -4.466 2.763 -17.972 221 HZ PHE 31 HZ PHE 31 -2.544 1.751 -16.810 222 H GLN 32 H GLN 32 -5.281 1.669 -24.274 223 HA GLN 32 HA GLN 32 -3.732 2.101 -26.745 224 1HB GLN 32 1HB GLN 32 -6.455 0.844 -26.402 225 2HB GLN 32 2HB GLN 32 -5.764 1.279 -27.957 226 1HG GLN 32 1HG GLN 32 -3.972 -0.293 -27.658 227 2HG GLN 32 2HG GLN 32 -4.529 -0.673 -26.030 228 1HE2 GLN 32 1HE2 GLN 32 -7.336 -0.679 -26.733 229 2HE2 GLN 32 2HE2 GLN 32 -7.612 -2.117 -27.640 230 H ILE 33 H ILE 33 -4.126 3.909 -27.872 231 HA ILE 33 HA ILE 33 -6.587 5.395 -27.419 232 HB ILE 33 HB ILE 33 -5.152 6.457 -25.824 233 1HG1 ILE 33 1HG1 ILE 33 -5.273 8.149 -28.327 234 2HG1 ILE 33 2HG1 ILE 33 -6.603 7.909 -27.196 235 1HG2 ILE 33 1HG2 ILE 33 -3.008 7.495 -26.481 236 2HG2 ILE 33 2HG2 ILE 33 -3.145 6.707 -28.052 237 3HG2 ILE 33 3HG2 ILE 33 -2.996 5.735 -26.589 238 1HD1 ILE 33 1HD1 ILE 33 -5.254 8.965 -25.438 239 2HD1 ILE 33 2HD1 ILE 33 -5.548 10.034 -26.809 240 3HD1 ILE 33 3HD1 ILE 33 -3.976 9.255 -26.619 241 H TYR 34 H TYR 34 -7.407 6.007 -29.291 242 HA TYR 34 HA TYR 34 -5.792 5.793 -31.691 243 1HB TYR 34 1HB TYR 34 -8.749 6.232 -31.249 244 2HB TYR 34 2HB TYR 34 -8.003 6.282 -32.843 245 HD1 TYR 34 HD1 TYR 34 -7.069 4.242 -33.847 246 HD2 TYR 34 HD2 TYR 34 -9.091 4.138 -30.102 247 HE1 TYR 34 HE1 TYR 34 -7.292 1.799 -34.041 248 HE2 TYR 34 HE2 TYR 34 -9.316 1.697 -30.287 249 HH TYR 34 HH TYR 34 -7.594 -0.169 -32.476 250 H LEU 35 H LEU 35 -5.587 7.486 -33.228 251 HA LEU 35 HA LEU 35 -5.033 9.975 -31.968 252 1HB LEU 35 1HB LEU 35 -3.931 8.786 -34.037 253 2HB LEU 35 2HB LEU 35 -5.121 9.730 -34.924 254 HG LEU 35 HG LEU 35 -4.251 11.757 -33.697 255 1HD1 LEU 35 1HD1 LEU 35 -2.016 9.855 -33.029 256 2HD1 LEU 35 2HD1 LEU 35 -3.159 10.552 -31.882 257 3HD1 LEU 35 3HD1 LEU 35 -2.020 11.592 -32.739 258 1HD2 LEU 35 1HD2 LEU 35 -2.360 10.276 -35.498 259 2HD2 LEU 35 2HD2 LEU 35 -2.336 12.008 -35.164 260 3HD2 LEU 35 3HD2 LEU 35 -3.708 11.290 -36.011 261 H ASP 36 H ASP 36 -7.633 8.684 -33.793 262 HA ASP 36 HA ASP 36 -9.049 10.921 -34.568 263 1HB ASP 36 1HB ASP 36 -9.934 8.219 -33.578 264 2HB ASP 36 2HB ASP 36 -11.091 9.444 -34.063 265 H ASP 37 H ASP 37 -8.893 9.333 -31.418 266 HA ASP 37 HA ASP 37 -10.737 11.043 -30.104 267 1HB ASP 37 1HB ASP 37 -8.486 9.332 -29.021 268 2HB ASP 37 2HB ASP 37 -9.639 10.192 -28.008 269 H MET 38 H MET 38 -7.220 11.042 -30.453 270 HA MET 38 HA MET 38 -6.688 13.171 -28.686 271 1HB MET 38 1HB MET 38 -5.013 12.562 -31.116 272 2HB MET 38 2HB MET 38 -4.485 13.212 -29.570 273 1HG MET 38 1HG MET 38 -5.337 10.911 -28.654 274 2HG MET 38 2HG MET 38 -5.139 10.420 -30.342 275 1HE MET 38 1HE MET 38 -3.058 12.882 -28.037 276 2HE MET 38 2HE MET 38 -1.742 11.810 -27.554 277 3HE MET 38 3HE MET 38 -3.394 11.471 -27.034 278 H PHE 39 H PHE 39 -7.154 13.100 -32.198 279 HA PHE 39 HA PHE 39 -6.745 15.860 -32.641 280 1HB PHE 39 1HB PHE 39 -6.604 14.230 -34.445 281 2HB PHE 39 2HB PHE 39 -8.301 13.820 -34.245 282 HD1 PHE 39 HD1 PHE 39 -9.881 14.855 -35.568 283 HD2 PHE 39 HD2 PHE 39 -6.091 16.719 -35.019 284 HE1 PHE 39 HE1 PHE 39 -10.496 16.584 -37.206 285 HE2 PHE 39 HE2 PHE 39 -6.704 18.450 -36.658 286 HZ PHE 39 HZ PHE 39 -8.907 18.384 -37.755 287 H GLU 40 H GLU 40 -9.468 14.060 -31.508 288 HA GLU 40 HA GLU 40 -11.508 15.938 -32.080 289 1HB GLU 40 1HB GLU 40 -11.933 13.576 -31.518 290 2HB GLU 40 2HB GLU 40 -11.345 13.861 -29.886 291 1HG GLU 40 1HG GLU 40 -13.176 15.505 -29.575 292 2HG GLU 40 2HG GLU 40 -13.791 15.057 -31.165 293 H GLY 41 H GLY 41 -8.995 15.821 -29.752 294 1HA GLY 41 1HA GLY 41 -8.445 17.808 -28.507 295 2HA GLY 41 2HA GLY 41 -10.164 18.142 -28.365 296 H GLU 42 H GLU 42 -9.964 14.942 -27.948 297 HA GLU 42 HA GLU 42 -9.811 15.187 -25.029 298 1HB GLU 42 1HB GLU 42 -11.869 14.181 -26.007 299 2HB GLU 42 2HB GLU 42 -10.881 12.914 -26.722 300 1HG GLU 42 1HG GLU 42 -12.000 12.162 -24.687 301 2HG GLU 42 2HG GLU 42 -10.245 12.122 -24.526 302 H LYS 43 H LYS 43 -8.214 14.245 -23.912 303 HA LYS 43 HA LYS 43 -6.325 12.598 -25.430 304 1HB LYS 43 1HB LYS 43 -4.539 13.629 -24.000 305 2HB LYS 43 2HB LYS 43 -5.279 14.683 -25.200 306 1HG LYS 43 1HG LYS 43 -6.652 15.706 -23.525 307 2HG LYS 43 2HG LYS 43 -6.045 14.586 -22.302 308 1HD LYS 43 1HD LYS 43 -3.847 15.483 -22.493 309 2HD LYS 43 2HD LYS 43 -4.333 16.496 -23.857 310 1HE LYS 43 1HE LYS 43 -4.366 17.930 -21.997 311 2HE LYS 43 2HE LYS 43 -6.048 17.500 -22.319 312 1HZ LYS 43 1HZ LYS 43 -5.617 17.385 -19.971 313 2HZ LYS 43 2HZ LYS 43 -4.305 16.338 -20.203 314 3HZ LYS 43 3HZ LYS 43 -5.884 15.811 -20.548 315 H VAL 44 H VAL 44 -6.728 10.627 -24.678 316 HA VAL 44 HA VAL 44 -6.018 9.950 -22.020 317 HB VAL 44 HB VAL 44 -8.144 10.775 -21.345 318 1HG1 VAL 44 1HG1 VAL 44 -9.215 10.886 -23.518 319 2HG1 VAL 44 2HG1 VAL 44 -10.250 10.063 -22.351 320 3HG1 VAL 44 3HG1 VAL 44 -9.362 9.129 -23.554 321 1HG2 VAL 44 1HG2 VAL 44 -9.283 8.760 -20.521 322 2HG2 VAL 44 2HG2 VAL 44 -7.533 8.657 -20.319 323 3HG2 VAL 44 3HG2 VAL 44 -8.323 7.778 -21.628 324 H ALA 45 H ALA 45 -5.248 7.969 -22.025 325 HA ALA 45 HA ALA 45 -5.993 6.162 -24.219 326 1HB ALA 45 1HB ALA 45 -3.670 5.992 -22.295 327 2HB ALA 45 2HB ALA 45 -3.595 6.602 -23.949 328 3HB ALA 45 3HB ALA 45 -3.978 4.907 -23.654 329 H VAL 46 H VAL 46 -6.829 4.139 -23.811 330 HA VAL 46 HA VAL 46 -7.568 3.607 -21.010 331 HB VAL 46 HB VAL 46 -9.549 4.292 -22.187 332 1HG1 VAL 46 1HG1 VAL 46 -10.417 3.107 -24.142 333 2HG1 VAL 46 2HG1 VAL 46 -8.956 2.122 -24.184 334 3HG1 VAL 46 3HG1 VAL 46 -8.857 3.857 -24.475 335 1HG2 VAL 46 1HG2 VAL 46 -10.967 2.316 -21.883 336 2HG2 VAL 46 2HG2 VAL 46 -9.829 2.529 -20.553 337 3HG2 VAL 46 3HG2 VAL 46 -9.518 1.311 -21.790 338 H CYS 47 H CYS 47 -7.095 1.654 -20.242 339 HA CYS 47 HA CYS 47 -6.193 -0.340 -22.174 340 1HB CYS 47 1HB CYS 47 -4.694 0.345 -20.215 341 2HB CYS 47 2HB CYS 47 -5.841 -0.494 -19.180 342 HA PRO 48 HA PRO 48 -9.956 -2.513 -21.215 343 1HB PRO 48 1HB PRO 48 -9.616 -4.538 -22.953 344 2HB PRO 48 2HB PRO 48 -10.054 -2.911 -23.488 345 1HG PRO 48 1HG PRO 48 -7.421 -4.294 -23.590 346 2HG PRO 48 2HG PRO 48 -8.135 -3.146 -24.735 347 1HD PRO 48 1HD PRO 48 -6.224 -2.545 -22.795 348 2HD PRO 48 2HD PRO 48 -7.244 -1.365 -23.640 349 H SER 49 H SER 49 -10.549 -4.417 -20.161 350 HA SER 49 HA SER 49 -10.366 -6.449 -19.136 351 1HB SER 49 1HB SER 49 -8.415 -6.929 -20.745 352 2HB SER 49 2HB SER 49 -7.362 -6.438 -19.420 353 HG SER 49 HG SER 49 -7.913 -8.191 -18.292 354 H CYS 50 H CYS 50 -7.547 -4.364 -18.296 355 HA CYS 50 HA CYS 50 -8.176 -4.778 -15.481 356 1HB CYS 50 1HB CYS 50 -6.167 -3.605 -14.968 357 2HB CYS 50 2HB CYS 50 -5.794 -4.647 -16.334 358 H SER 51 H SER 51 -8.422 -2.376 -17.978 359 HA SER 51 HA SER 51 -9.818 -0.638 -18.273 360 1HB SER 51 1HB SER 51 -11.101 -1.438 -15.656 361 2HB SER 51 2HB SER 51 -11.797 -0.392 -16.897 362 HG SER 51 HG SER 51 -11.050 -3.105 -17.296 363 H LEU 52 H LEU 52 -7.801 0.561 -17.927 364 HA LEU 52 HA LEU 52 -8.241 2.507 -15.774 365 1HB LEU 52 1HB LEU 52 -6.359 1.100 -15.109 366 2HB LEU 52 2HB LEU 52 -5.568 1.399 -16.644 367 HG LEU 52 HG LEU 52 -5.317 3.771 -16.058 368 1HD1 LEU 52 1HD1 LEU 52 -6.567 2.956 -13.440 369 2HD1 LEU 52 2HD1 LEU 52 -7.245 4.067 -14.632 370 3HD1 LEU 52 3HD1 LEU 52 -5.781 4.503 -13.751 371 1HD2 LEU 52 1HD2 LEU 52 -3.624 3.487 -14.323 372 2HD2 LEU 52 2HD2 LEU 52 -3.531 2.187 -15.511 373 3HD2 LEU 52 3HD2 LEU 52 -4.271 1.894 -13.938 374 H MET 53 H MET 53 -7.821 4.627 -16.330 375 HA MET 53 HA MET 53 -7.130 5.176 -19.131 376 1HB MET 53 1HB MET 53 -9.447 6.338 -17.581 377 2HB MET 53 2HB MET 53 -8.915 6.908 -19.155 378 1HG MET 53 1HG MET 53 -9.576 4.931 -20.218 379 2HG MET 53 2HG MET 53 -9.740 4.069 -18.689 380 1HE MET 53 1HE MET 53 -11.582 4.571 -16.917 381 2HE MET 53 2HE MET 53 -12.901 5.720 -17.137 382 3HE MET 53 3HE MET 53 -11.252 6.304 -16.917 383 H ILE 54 H ILE 54 -5.884 6.939 -19.456 384 HA ILE 54 HA ILE 54 -5.519 8.873 -17.293 385 HB ILE 54 HB ILE 54 -3.157 8.767 -17.233 386 1HG1 ILE 54 1HG1 ILE 54 -2.743 8.398 -19.639 387 2HG1 ILE 54 2HG1 ILE 54 -1.766 7.342 -18.628 388 1HG2 ILE 54 1HG2 ILE 54 -2.658 6.460 -16.518 389 2HG2 ILE 54 2HG2 ILE 54 -4.211 5.946 -17.184 390 3HG2 ILE 54 3HG2 ILE 54 -4.160 7.090 -15.842 391 1HD1 ILE 54 1HD1 ILE 54 -3.300 5.496 -19.101 392 2HD1 ILE 54 2HD1 ILE 54 -2.595 6.172 -20.569 393 3HD1 ILE 54 3HD1 ILE 54 -4.255 6.569 -20.124 394 H ASP 55 H ASP 55 -4.636 10.887 -18.021 395 HA ASP 55 HA ASP 55 -5.384 11.595 -20.686 396 1HB ASP 55 1HB ASP 55 -4.021 13.033 -18.424 397 2HB ASP 55 2HB ASP 55 -4.087 13.761 -20.022 398 H VAL 56 H VAL 56 -4.003 12.351 -22.364 399 HA VAL 56 HA VAL 56 -1.137 11.758 -22.073 400 HB VAL 56 HB VAL 56 -2.807 10.953 -24.458 401 1HG1 VAL 56 1HG1 VAL 56 -0.726 9.987 -25.340 402 2HG1 VAL 56 2HG1 VAL 56 0.155 10.672 -23.975 403 3HG1 VAL 56 3HG1 VAL 56 -0.613 11.738 -25.150 404 1HG2 VAL 56 1HG2 VAL 56 -2.172 8.662 -23.875 405 2HG2 VAL 56 2HG2 VAL 56 -3.096 9.430 -22.583 406 3HG2 VAL 56 3HG2 VAL 56 -1.345 9.265 -22.437 407 H VAL 57 H VAL 57 -0.062 13.585 -22.437 408 HA VAL 57 HA VAL 57 -1.301 15.872 -23.628 409 HB VAL 57 HB VAL 57 1.609 15.470 -22.911 410 1HG1 VAL 57 1HG1 VAL 57 1.652 17.931 -22.764 411 2HG1 VAL 57 2HG1 VAL 57 0.006 17.970 -23.396 412 3HG1 VAL 57 3HG1 VAL 57 1.319 17.340 -24.390 413 1HG2 VAL 57 1HG2 VAL 57 -0.647 16.618 -21.272 414 2HG2 VAL 57 2HG2 VAL 57 1.057 16.611 -20.810 415 3HG2 VAL 57 3HG2 VAL 57 0.184 15.089 -20.983 416 H PHE 58 H PHE 58 -1.486 16.251 -25.737 417 HA PHE 58 HA PHE 58 0.486 15.049 -27.561 418 1HB PHE 58 1HB PHE 58 -1.272 15.164 -29.299 419 2HB PHE 58 2HB PHE 58 -1.746 14.164 -27.932 420 HD1 PHE 58 HD1 PHE 58 -3.519 14.862 -26.432 421 HD2 PHE 58 HD2 PHE 58 -2.383 17.264 -29.756 422 HE1 PHE 58 HE1 PHE 58 -5.601 16.152 -26.205 423 HE2 PHE 58 HE2 PHE 58 -4.463 18.561 -29.534 424 HZ PHE 58 HZ PHE 58 -6.074 18.005 -27.758 425 H ASP 59 H ASP 59 0.859 16.303 -29.599 426 HA ASP 59 HA ASP 59 0.551 19.205 -29.226 427 1HB ASP 59 1HB ASP 59 2.915 18.388 -28.723 428 2HB ASP 59 2HB ASP 59 3.027 17.967 -30.423 429 H LYS 60 H LYS 60 0.662 20.418 -31.216 430 HA LYS 60 HA LYS 60 -0.863 19.362 -33.299 431 1HB LYS 60 1HB LYS 60 1.065 21.687 -33.474 432 2HB LYS 60 2HB LYS 60 -0.274 21.365 -34.557 433 1HG LYS 60 1HG LYS 60 -1.096 23.045 -33.209 434 2HG LYS 60 2HG LYS 60 -1.740 21.595 -32.437 435 1HD LYS 60 1HD LYS 60 -0.014 21.655 -30.765 436 2HD LYS 60 2HD LYS 60 0.799 22.983 -31.593 437 1HE LYS 60 1HE LYS 60 -1.152 24.414 -31.187 438 2HE LYS 60 2HE LYS 60 -1.937 23.086 -30.333 439 1HZ LYS 60 1HZ LYS 60 -0.184 23.124 -28.691 440 2HZ LYS 60 2HZ LYS 60 -0.881 24.668 -28.819 441 3HZ LYS 60 3HZ LYS 60 0.627 24.354 -29.530 442 H GLU 61 H GLU 61 2.629 19.758 -32.950 443 HA GLU 61 HA GLU 61 3.173 18.875 -35.629 444 1HB GLU 61 1HB GLU 61 4.960 19.388 -33.254 445 2HB GLU 61 2HB GLU 61 5.565 18.844 -34.815 446 1HG GLU 61 1HG GLU 61 4.622 20.836 -35.872 447 2HG GLU 61 2HG GLU 61 4.047 21.394 -34.302 448 H ASP 62 H ASP 62 3.221 17.398 -32.414 449 HA ASP 62 HA ASP 62 4.399 14.963 -33.191 450 1HB ASP 62 1HB ASP 62 2.557 15.709 -30.931 451 2HB ASP 62 2HB ASP 62 3.069 14.041 -31.174 452 H LEU 63 H LEU 63 1.040 16.055 -33.209 453 HA LEU 63 HA LEU 63 -0.062 13.574 -34.037 454 1HB LEU 63 1HB LEU 63 -1.143 16.365 -34.450 455 2HB LEU 63 2HB LEU 63 -2.051 14.880 -34.641 456 HG LEU 63 HG LEU 63 -0.921 15.956 -32.061 457 1HD1 LEU 63 1HD1 LEU 63 -2.868 17.178 -32.823 458 2HD1 LEU 63 2HD1 LEU 63 -3.285 16.174 -31.434 459 3HD1 LEU 63 3HD1 LEU 63 -3.750 15.670 -33.061 460 1HD2 LEU 63 1HD2 LEU 63 -0.829 13.521 -32.100 461 2HD2 LEU 63 2HD2 LEU 63 -2.526 13.456 -32.578 462 3HD2 LEU 63 3HD2 LEU 63 -2.081 14.089 -30.994 463 H ALA 64 H ALA 64 1.033 16.461 -35.775 464 HA ALA 64 HA ALA 64 0.118 15.757 -38.326 465 1HB ALA 64 1HB ALA 64 2.533 17.428 -37.637 466 2HB ALA 64 2HB ALA 64 0.870 18.011 -37.693 467 3HB ALA 64 3HB ALA 64 1.650 17.433 -39.165 468 H GLU 65 H GLU 65 3.356 15.276 -36.880 469 HA GLU 65 HA GLU 65 4.362 13.973 -39.184 470 1HB GLU 65 1HB GLU 65 5.342 14.318 -36.370 471 2HB GLU 65 2HB GLU 65 6.198 13.307 -37.519 472 1HG GLU 65 1HG GLU 65 6.339 15.248 -39.053 473 2HG GLU 65 2HG GLU 65 5.603 16.238 -37.795 474 H TYR 66 H TYR 66 2.854 12.850 -36.200 475 HA TYR 66 HA TYR 66 3.417 10.106 -36.607 476 1HB TYR 66 1HB TYR 66 2.642 11.036 -34.429 477 2HB TYR 66 2HB TYR 66 1.047 11.278 -35.139 478 HD1 TYR 66 HD1 TYR 66 3.583 8.566 -34.750 479 HD2 TYR 66 HD2 TYR 66 -0.538 9.623 -34.781 480 HE1 TYR 66 HE1 TYR 66 2.994 6.257 -34.160 481 HE2 TYR 66 HE2 TYR 66 -1.140 7.311 -34.188 482 HH TYR 66 HH TYR 66 -0.239 5.098 -34.266 483 H TYR 67 H TYR 67 0.804 12.229 -37.655 484 HA TYR 67 HA TYR 67 -0.905 10.420 -38.853 485 1HB TYR 67 1HB TYR 67 -1.825 12.461 -39.129 486 2HB TYR 67 2HB TYR 67 -0.264 13.264 -39.164 487 HD1 TYR 67 HD1 TYR 67 -2.647 11.337 -41.279 488 HD2 TYR 67 HD2 TYR 67 0.606 14.077 -41.178 489 HE1 TYR 67 HE1 TYR 67 -2.900 11.722 -43.692 490 HE2 TYR 67 HE2 TYR 67 0.363 14.468 -43.592 491 HH TYR 67 HH TYR 67 -0.569 13.170 -45.581 492 H GLU 68 H GLU 68 2.053 11.841 -40.180 493 HA GLU 68 HA GLU 68 1.831 10.516 -42.692 494 1HB GLU 68 1HB GLU 68 3.103 12.607 -42.382 495 2HB GLU 68 2HB GLU 68 4.262 11.743 -41.379 496 1HG GLU 68 1HG GLU 68 4.878 10.342 -43.275 497 2HG GLU 68 2HG GLU 68 3.699 11.182 -44.282 498 H GLU 69 H GLU 69 3.649 9.849 -39.718 499 HA GLU 69 HA GLU 69 5.062 7.650 -40.845 500 1HB GLU 69 1HB GLU 69 4.732 8.691 -38.054 501 2HB GLU 69 2HB GLU 69 5.578 7.179 -38.367 502 1HG GLU 69 1HG GLU 69 6.290 9.888 -39.473 503 2HG GLU 69 2HG GLU 69 7.148 9.011 -38.204 504 H ALA 70 H ALA 70 2.074 7.900 -39.004 505 HA ALA 70 HA ALA 70 1.911 5.032 -38.675 506 1HB ALA 70 1HB ALA 70 -0.243 5.464 -37.638 507 2HB ALA 70 2HB ALA 70 -0.158 7.150 -38.143 508 3HB ALA 70 3HB ALA 70 1.000 6.519 -36.969 509 H GLY 71 H GLY 71 1.056 7.306 -41.067 510 1HA GLY 71 1HA GLY 71 0.253 6.901 -43.199 511 2HA GLY 71 2HA GLY 71 0.050 5.210 -42.763 512 H ILE 72 H ILE 72 -1.272 8.283 -41.612 513 HA ILE 72 HA ILE 72 -3.951 7.067 -41.607 514 HB ILE 72 HB ILE 72 -3.292 9.681 -40.273 515 1HG1 ILE 72 1HG1 ILE 72 -2.827 6.948 -39.054 516 2HG1 ILE 72 2HG1 ILE 72 -1.555 8.059 -39.551 517 1HG2 ILE 72 1HG2 ILE 72 -5.230 7.451 -39.658 518 2HG2 ILE 72 2HG2 ILE 72 -5.620 9.022 -40.363 519 3HG2 ILE 72 3HG2 ILE 72 -5.039 8.918 -38.700 520 1HD1 ILE 72 1HD1 ILE 72 -2.340 9.675 -37.889 521 2HD1 ILE 72 2HD1 ILE 72 -1.877 8.137 -37.159 522 3HD1 ILE 72 3HD1 ILE 72 -3.582 8.531 -37.381 523 H HIS 73 H HIS 73 -5.689 8.956 -41.939 524 HA HIS 73 HA HIS 73 -4.996 10.222 -44.470 525 1HB HIS 73 1HB HIS 73 -7.630 9.733 -43.089 526 2HB HIS 73 2HB HIS 73 -7.496 10.805 -44.479 527 HD1 HIS 73 HD1 HIS 73 -5.396 8.993 -46.032 528 HD2 HIS 73 HD2 HIS 73 -9.016 7.726 -44.413 529 HE1 HIS 73 HE1 HIS 73 -6.013 6.918 -47.300 530 HE2 HIS 73 HE2 HIS 73 -8.256 6.229 -46.393 531 HA PRO 74 HA PRO 74 -4.014 14.117 -42.986 532 1HB PRO 74 1HB PRO 74 -5.352 15.768 -44.755 533 2HB PRO 74 2HB PRO 74 -3.807 14.973 -45.072 534 1HG PRO 74 1HG PRO 74 -6.565 14.149 -45.871 535 2HG PRO 74 2HG PRO 74 -5.058 14.083 -46.805 536 1HD PRO 74 1HD PRO 74 -6.076 11.889 -45.682 537 2HD PRO 74 2HD PRO 74 -4.321 12.167 -45.711 538 HA PRO 75 HA PRO 75 -7.412 15.729 -40.507 539 1HB PRO 75 1HB PRO 75 -5.337 17.057 -39.005 540 2HB PRO 75 2HB PRO 75 -6.368 15.721 -38.493 541 1HG PRO 75 1HG PRO 75 -3.670 15.497 -38.900 542 2HG PRO 75 2HG PRO 75 -4.805 14.142 -39.031 543 1HD PRO 75 1HD PRO 75 -3.579 15.803 -41.197 544 2HD PRO 75 2HD PRO 75 -3.884 14.053 -41.152 545 H GLU 76 H GLU 76 -7.943 18.040 -39.947 546 HA GLU 76 HA GLU 76 -7.326 19.756 -42.151 547 1HB GLU 76 1HB GLU 76 -8.689 21.432 -40.987 548 2HB GLU 76 2HB GLU 76 -9.514 19.881 -41.027 549 1HG GLU 76 1HG GLU 76 -8.810 19.469 -38.709 550 2HG GLU 76 2HG GLU 76 -8.041 21.056 -38.680 551 HA PRO 77 HA PRO 77 -3.472 21.372 -41.141 552 1HB PRO 77 1HB PRO 77 -4.607 24.098 -41.478 553 2HB PRO 77 2HB PRO 77 -3.178 23.369 -42.219 554 1HG PRO 77 1HG PRO 77 -5.437 23.643 -43.605 555 2HG PRO 77 2HG PRO 77 -4.422 22.202 -43.789 556 1HD PRO 77 1HD PRO 77 -7.015 22.531 -42.361 557 2HD PRO 77 2HD PRO 77 -6.372 21.123 -43.227 558 H ILE 78 H ILE 78 -2.337 21.911 -39.431 559 HA ILE 78 HA ILE 78 -3.775 22.470 -36.999 560 HB ILE 78 HB ILE 78 -1.514 22.164 -35.920 561 1HG1 ILE 78 1HG1 ILE 78 -0.291 20.676 -37.964 562 2HG1 ILE 78 2HG1 ILE 78 -0.731 22.213 -38.694 563 1HG2 ILE 78 1HG2 ILE 78 -1.563 19.740 -36.180 564 2HG2 ILE 78 2HG2 ILE 78 -2.584 19.906 -37.607 565 3HG2 ILE 78 3HG2 ILE 78 -3.194 20.393 -36.025 566 1HD1 ILE 78 1HD1 ILE 78 0.935 21.830 -36.221 567 2HD1 ILE 78 2HD1 ILE 78 0.453 23.386 -36.904 568 3HD1 ILE 78 3HD1 ILE 78 1.511 22.307 -37.818 569 H ALA 79 H ALA 79 -4.263 24.494 -36.555 570 HA ALA 79 HA ALA 79 -4.156 26.733 -36.239 571 1HB ALA 79 1HB ALA 79 -1.205 26.243 -35.890 572 2HB ALA 79 2HB ALA 79 -2.431 25.985 -34.647 573 3HB ALA 79 3HB ALA 79 -2.136 27.608 -35.269 574 H ALA 80 H ALA 80 -3.334 25.483 -38.975 575 HA ALA 80 HA ALA 80 -2.063 27.863 -40.131 576 1HB ALA 80 1HB ALA 80 -2.329 25.089 -41.283 577 2HB ALA 80 2HB ALA 80 -0.899 25.726 -40.473 578 3HB ALA 80 3HB ALA 80 -1.440 26.434 -41.998 579 H ALA 81 H ALA 81 -2.895 28.749 -42.069 580 HA ALA 81 HA ALA 81 -5.727 28.883 -42.167 581 1HB ALA 81 1HB ALA 81 -4.308 30.781 -42.743 582 2HB ALA 81 2HB ALA 81 -5.395 30.366 -44.067 583 3HB ALA 81 3HB ALA 81 -3.697 29.901 -44.145 584 H ALA 82 H ALA 82 -7.162 27.864 -43.405 585 HA ALA 82 HA ALA 82 -6.164 26.062 -45.508 586 1HB ALA 82 1HB ALA 82 -8.453 25.541 -43.607 587 2HB ALA 82 2HB ALA 82 -6.874 24.754 -43.567 588 3HB ALA 82 3HB ALA 82 -7.957 24.495 -44.935 Start of MODEL 20 1 1H MET 1 1H MET 1 -12.772 5.618 -11.355 2 HA MET 1 HA MET 1 -12.937 5.687 -13.617 3 1HB MET 1 1HB MET 1 -15.220 7.538 -12.928 4 2HB MET 1 2HB MET 1 -14.826 7.111 -14.584 5 1HG MET 1 1HG MET 1 -16.606 5.714 -13.862 6 2HG MET 1 2HG MET 1 -15.154 4.725 -13.997 7 1HE MET 1 1HE MET 1 -17.112 3.079 -11.022 8 2HE MET 1 2HE MET 1 -16.387 2.820 -12.607 9 3HE MET 1 3HE MET 1 -17.821 3.836 -12.450 10 H SER 2 H SER 2 -11.371 7.718 -12.028 11 HA SER 2 HA SER 2 -11.258 9.965 -13.878 12 1HB SER 2 1HB SER 2 -9.681 10.843 -12.033 13 2HB SER 2 2HB SER 2 -11.396 10.695 -11.643 14 HG SER 2 HG SER 2 -9.224 9.158 -10.771 15 H THR 3 H THR 3 -9.328 10.632 -14.837 16 HA THR 3 HA THR 3 -7.476 8.577 -15.525 17 HB THR 3 HB THR 3 -6.260 10.549 -16.625 18 HG1 THR 3 HG1 THR 3 -7.261 12.495 -16.619 19 1HG2 THR 3 1HG2 THR 3 -7.904 10.685 -18.434 20 2HG2 THR 3 2HG2 THR 3 -9.136 10.007 -17.370 21 3HG2 THR 3 3HG2 THR 3 -7.745 9.030 -17.844 22 H TYR 4 H TYR 4 -5.885 7.922 -14.230 23 HA TYR 4 HA TYR 4 -5.161 9.664 -11.999 24 1HB TYR 4 1HB TYR 4 -5.916 7.146 -11.857 25 2HB TYR 4 2HB TYR 4 -4.213 6.839 -12.193 26 HD1 TYR 4 HD1 TYR 4 -2.876 6.502 -10.327 27 HD2 TYR 4 HD2 TYR 4 -6.228 9.101 -10.015 28 HE1 TYR 4 HE1 TYR 4 -2.351 6.891 -7.952 29 HE2 TYR 4 HE2 TYR 4 -5.718 9.496 -7.649 30 HH TYR 4 HH TYR 4 -4.556 8.418 -5.817 31 H ASP 5 H ASP 5 -3.980 9.082 -14.993 32 HA ASP 5 HA ASP 5 -1.335 10.000 -14.181 33 1HB ASP 5 1HB ASP 5 -1.519 7.384 -14.660 34 2HB ASP 5 2HB ASP 5 -1.418 7.925 -16.331 35 H GLU 6 H GLU 6 -0.069 10.551 -16.281 36 HA GLU 6 HA GLU 6 -1.610 11.411 -18.537 37 1HB GLU 6 1HB GLU 6 -2.266 13.113 -16.849 38 2HB GLU 6 2HB GLU 6 -0.573 13.519 -16.621 39 1HG GLU 6 1HG GLU 6 -0.435 14.299 -18.920 40 2HG GLU 6 2HG GLU 6 -2.119 13.849 -19.181 41 H ILE 7 H ILE 7 -0.141 10.890 -20.098 42 HA ILE 7 HA ILE 7 2.700 11.415 -19.450 43 HB ILE 7 HB ILE 7 1.859 9.166 -21.263 44 1HG1 ILE 7 1HG1 ILE 7 2.576 7.830 -19.033 45 2HG1 ILE 7 2HG1 ILE 7 1.816 9.242 -18.300 46 1HG2 ILE 7 1HG2 ILE 7 4.170 9.904 -21.398 47 2HG2 ILE 7 2HG2 ILE 7 4.072 8.283 -20.709 48 3HG2 ILE 7 3HG2 ILE 7 4.359 9.672 -19.660 49 1HD1 ILE 7 1HD1 ILE 7 -0.217 8.804 -19.549 50 2HD1 ILE 7 2HD1 ILE 7 0.245 7.407 -18.575 51 3HD1 ILE 7 3HD1 ILE 7 0.544 7.411 -20.315 52 H GLU 8 H GLU 8 4.052 12.030 -21.158 53 HA GLU 8 HA GLU 8 2.933 13.608 -23.196 54 1HB GLU 8 1HB GLU 8 5.684 12.368 -23.244 55 2HB GLU 8 2HB GLU 8 5.166 13.852 -24.028 56 1HG GLU 8 1HG GLU 8 5.424 13.389 -21.073 57 2HG GLU 8 2HG GLU 8 6.512 14.332 -22.087 58 H ILE 9 H ILE 9 2.670 13.235 -25.364 59 HA ILE 9 HA ILE 9 1.776 10.692 -26.136 60 HB ILE 9 HB ILE 9 0.944 12.702 -27.200 61 1HG1 ILE 9 1HG1 ILE 9 2.408 10.963 -29.194 62 2HG1 ILE 9 2HG1 ILE 9 0.848 10.595 -28.469 63 1HG2 ILE 9 1HG2 ILE 9 2.320 13.962 -28.814 64 2HG2 ILE 9 2HG2 ILE 9 3.721 13.010 -28.325 65 3HG2 ILE 9 3HG2 ILE 9 2.929 14.072 -27.162 66 1HD1 ILE 9 1HD1 ILE 9 -0.126 12.542 -29.548 67 2HD1 ILE 9 2HD1 ILE 9 0.608 11.459 -30.730 68 3HD1 ILE 9 3HD1 ILE 9 1.438 12.943 -30.258 69 H GLU 10 H GLU 10 4.881 12.237 -26.463 70 HA GLU 10 HA GLU 10 5.967 10.436 -28.380 71 1HB GLU 10 1HB GLU 10 6.786 12.749 -28.023 72 2HB GLU 10 2HB GLU 10 7.396 12.268 -26.446 73 1HG GLU 10 1HG GLU 10 8.870 10.627 -27.571 74 2HG GLU 10 2HG GLU 10 8.319 11.258 -29.124 75 H ASP 11 H ASP 11 5.661 10.409 -24.919 76 HA ASP 11 HA ASP 11 7.804 8.577 -24.427 77 1HB ASP 11 1HB ASP 11 6.898 10.179 -22.719 78 2HB ASP 11 2HB ASP 11 5.445 9.186 -22.632 79 H MET 12 H MET 12 4.345 8.324 -24.961 80 HA MET 12 HA MET 12 4.097 5.571 -24.322 81 1HB MET 12 1HB MET 12 2.379 7.380 -26.023 82 2HB MET 12 2HB MET 12 1.944 5.731 -25.591 83 1HG MET 12 1HG MET 12 1.976 6.340 -23.227 84 2HG MET 12 2HG MET 12 2.418 7.990 -23.659 85 1HE MET 12 1HE MET 12 -0.344 5.206 -24.023 86 2HE MET 12 2HE MET 12 -0.070 5.738 -25.682 87 3HE MET 12 3HE MET 12 -1.603 6.093 -24.885 88 H THR 13 H THR 13 3.721 3.814 -25.756 89 HA THR 13 HA THR 13 5.576 3.797 -27.966 90 HB THR 13 HB THR 13 3.766 1.557 -27.040 91 HG1 THR 13 HG1 THR 13 6.421 2.171 -26.181 92 1HG2 THR 13 1HG2 THR 13 4.838 1.228 -29.226 93 2HG2 THR 13 2HG2 THR 13 5.481 0.117 -28.017 94 3HG2 THR 13 3HG2 THR 13 6.414 1.536 -28.495 95 H PHE 14 H PHE 14 4.950 4.485 -29.910 96 HA PHE 14 HA PHE 14 2.182 4.628 -30.648 97 1HB PHE 14 1HB PHE 14 3.006 5.605 -32.747 98 2HB PHE 14 2HB PHE 14 3.738 6.382 -31.350 99 HD1 PHE 14 HD1 PHE 14 4.317 4.615 -34.412 100 HD2 PHE 14 HD2 PHE 14 6.098 5.745 -30.714 101 HE1 PHE 14 HE1 PHE 14 6.546 4.197 -35.361 102 HE2 PHE 14 HE2 PHE 14 8.331 5.328 -31.659 103 HZ PHE 14 HZ PHE 14 8.557 4.552 -33.986 104 H GLU 15 H GLU 15 1.046 3.345 -32.003 105 HA GLU 15 HA GLU 15 2.461 1.049 -33.180 106 1HB GLU 15 1HB GLU 15 0.571 0.738 -31.398 107 2HB GLU 15 2HB GLU 15 -0.506 1.105 -32.740 108 1HG GLU 15 1HG GLU 15 -0.326 -1.260 -32.558 109 2HG GLU 15 2HG GLU 15 0.543 -0.756 -34.009 110 HA PRO 16 HA PRO 16 1.537 3.955 -36.536 111 1HB PRO 16 1HB PRO 16 3.193 2.736 -38.365 112 2HB PRO 16 2HB PRO 16 3.710 3.952 -37.193 113 1HG PRO 16 1HG PRO 16 3.942 0.974 -37.071 114 2HG PRO 16 2HG PRO 16 5.106 2.212 -36.565 115 1HD PRO 16 1HD PRO 16 3.575 0.882 -34.798 116 2HD PRO 16 2HD PRO 16 4.029 2.579 -34.558 117 H GLU 17 H GLU 17 1.350 0.422 -36.769 118 HA GLU 17 HA GLU 17 0.112 0.385 -39.332 119 1HB GLU 17 1HB GLU 17 -0.478 -1.731 -37.306 120 2HB GLU 17 2HB GLU 17 -0.239 -1.895 -39.037 121 1HG GLU 17 1HG GLU 17 1.679 -2.831 -38.273 122 2HG GLU 17 2HG GLU 17 2.204 -1.150 -38.419 123 H ASN 18 H ASN 18 -1.100 0.834 -36.097 124 HA ASN 18 HA ASN 18 -3.860 0.520 -37.060 125 1HB ASN 18 1HB ASN 18 -2.708 0.413 -34.273 126 2HB ASN 18 2HB ASN 18 -4.434 0.393 -34.616 127 1HD2 ASN 18 1HD2 ASN 18 -1.463 -1.384 -34.740 128 2HD2 ASN 18 2HD2 ASN 18 -2.162 -2.928 -35.096 129 H GLN 19 H GLN 19 -1.698 2.901 -36.683 130 HA GLN 19 HA GLN 19 -1.766 5.156 -36.376 131 1HB GLN 19 1HB GLN 19 -4.664 4.650 -37.053 132 2HB GLN 19 2HB GLN 19 -4.031 6.265 -36.787 133 1HG GLN 19 1HG GLN 19 -4.019 6.029 -39.090 134 2HG GLN 19 2HG GLN 19 -2.350 5.708 -38.635 135 1HE2 GLN 19 1HE2 GLN 19 -1.507 3.665 -38.938 136 2HE2 GLN 19 2HE2 GLN 19 -2.350 2.416 -39.787 137 H MET 20 H MET 20 -1.774 3.651 -34.032 138 HA MET 20 HA MET 20 -3.357 5.362 -32.258 139 1HB MET 20 1HB MET 20 -4.153 3.506 -30.951 140 2HB MET 20 2HB MET 20 -4.624 3.253 -32.623 141 1HG MET 20 1HG MET 20 -2.781 1.682 -32.911 142 2HG MET 20 2HG MET 20 -2.307 1.936 -31.230 143 1HE MET 20 1HE MET 20 -2.436 -0.603 -30.556 144 2HE MET 20 2HE MET 20 -2.714 -0.937 -32.264 145 3HE MET 20 3HE MET 20 -3.757 -1.666 -31.041 146 H PHE 21 H PHE 21 -2.699 4.992 -29.934 147 HA PHE 21 HA PHE 21 0.180 4.385 -29.757 148 1HB PHE 21 1HB PHE 21 -1.439 6.542 -28.412 149 2HB PHE 21 2HB PHE 21 0.096 5.996 -27.747 150 HD1 PHE 21 HD1 PHE 21 2.134 6.752 -28.617 151 HD2 PHE 21 HD2 PHE 21 -1.487 7.536 -30.716 152 HE1 PHE 21 HE1 PHE 21 3.334 8.299 -30.105 153 HE2 PHE 21 HE2 PHE 21 -0.291 9.080 -32.208 154 HZ PHE 21 HZ PHE 21 2.122 9.462 -31.906 155 H THR 22 H THR 22 0.875 3.212 -27.982 156 HA THR 22 HA THR 22 -1.203 2.206 -26.162 157 HB THR 22 HB THR 22 -0.098 -0.054 -26.267 158 HG1 THR 22 HG1 THR 22 1.397 1.323 -28.191 159 1HG2 THR 22 1HG2 THR 22 -1.304 0.937 -28.856 160 2HG2 THR 22 2HG2 THR 22 -2.206 0.391 -27.442 161 3HG2 THR 22 3HG2 THR 22 -1.200 -0.747 -28.339 162 H TYR 23 H TYR 23 -0.345 1.363 -24.142 163 HA TYR 23 HA TYR 23 2.459 1.988 -23.610 164 1HB TYR 23 1HB TYR 23 0.741 3.882 -22.916 165 2HB TYR 23 2HB TYR 23 0.466 2.817 -21.539 166 HD1 TYR 23 HD1 TYR 23 1.750 3.217 -19.648 167 HD2 TYR 23 HD2 TYR 23 3.334 4.237 -23.460 168 HE1 TYR 23 HE1 TYR 23 3.762 4.133 -18.565 169 HE2 TYR 23 HE2 TYR 23 5.344 5.150 -22.391 170 HH TYR 23 HH TYR 23 6.080 6.019 -20.303 171 HA PRO 24 HA PRO 24 2.226 -2.086 -22.006 172 1HB PRO 24 1HB PRO 24 4.409 -1.914 -20.309 173 2HB PRO 24 2HB PRO 24 4.486 -2.278 -22.036 174 1HG PRO 24 1HG PRO 24 4.918 0.321 -20.624 175 2HG PRO 24 2HG PRO 24 5.796 -0.365 -22.006 176 1HD PRO 24 1HD PRO 24 3.975 1.572 -22.336 177 2HD PRO 24 2HD PRO 24 4.144 0.255 -23.517 178 H CYS 25 H CYS 25 0.731 -2.666 -20.633 179 HA CYS 25 HA CYS 25 0.966 -1.854 -17.829 180 1HB CYS 25 1HB CYS 25 -0.884 -0.563 -18.664 181 2HB CYS 25 2HB CYS 25 -1.547 -1.956 -19.510 182 HA PRO 26 HA PRO 26 0.521 -6.296 -17.476 183 1HB PRO 26 1HB PRO 26 0.936 -6.143 -14.661 184 2HB PRO 26 2HB PRO 26 2.120 -6.574 -15.897 185 1HG PRO 26 1HG PRO 26 2.185 -4.277 -14.319 186 2HG PRO 26 2HG PRO 26 3.090 -4.524 -15.822 187 1HD PRO 26 1HD PRO 26 0.547 -3.029 -15.358 188 2HD PRO 26 2HD PRO 26 1.874 -2.683 -16.489 189 H CYS 27 H CYS 27 -1.450 -7.083 -17.559 190 HA CYS 27 HA CYS 27 -3.185 -7.362 -15.386 191 1HB CYS 27 1HB CYS 27 -5.033 -5.905 -16.001 192 2HB CYS 27 2HB CYS 27 -3.590 -4.917 -15.792 193 H GLY 28 H GLY 28 -3.099 -6.856 -18.869 194 1HA GLY 28 1HA GLY 28 -3.381 -9.474 -19.689 195 2HA GLY 28 2HA GLY 28 -5.019 -8.858 -19.509 196 H ASP 29 H ASP 29 -4.083 -6.117 -20.182 197 HA ASP 29 HA ASP 29 -3.228 -6.373 -22.960 198 1HB ASP 29 1HB ASP 29 -5.868 -6.227 -22.593 199 2HB ASP 29 2HB ASP 29 -5.503 -4.509 -22.461 200 H ARG 30 H ARG 30 -3.070 -3.931 -23.830 201 HA ARG 30 HA ARG 30 -1.756 -2.396 -21.676 202 1HB ARG 30 1HB ARG 30 -0.238 -1.517 -23.485 203 2HB ARG 30 2HB ARG 30 -0.029 -3.217 -23.090 204 1HG ARG 30 1HG ARG 30 -1.780 -3.455 -25.096 205 2HG ARG 30 2HG ARG 30 -0.990 -1.948 -25.571 206 1HD ARG 30 1HD ARG 30 0.123 -3.888 -26.561 207 2HD ARG 30 2HD ARG 30 1.190 -3.040 -25.438 208 HE ARG 30 HE ARG 30 0.264 -4.867 -23.805 209 1HH1 ARG 30 1HH1 ARG 30 1.240 -5.275 -27.154 210 2HH1 ARG 30 2HH1 ARG 30 1.603 -6.966 -26.969 211 1HH2 ARG 30 1HH2 ARG 30 0.769 -7.052 -23.552 212 2HH2 ARG 30 2HH2 ARG 30 1.337 -7.987 -24.905 213 H PHE 31 H PHE 31 -1.804 -0.092 -21.869 214 HA PHE 31 HA PHE 31 -4.262 1.031 -22.306 215 1HB PHE 31 1HB PHE 31 -1.544 2.343 -22.455 216 2HB PHE 31 2HB PHE 31 -3.058 3.241 -22.445 217 HD1 PHE 31 HD1 PHE 31 -4.535 3.131 -20.444 218 HD2 PHE 31 HD2 PHE 31 -0.605 1.498 -20.458 219 HE1 PHE 31 HE1 PHE 31 -4.532 3.131 -17.986 220 HE2 PHE 31 HE2 PHE 31 -0.598 1.493 -17.997 221 HZ PHE 31 HZ PHE 31 -2.561 2.311 -16.759 222 H GLN 32 H GLN 32 -5.399 1.813 -23.976 223 HA GLN 32 HA GLN 32 -4.125 1.758 -26.632 224 1HB GLN 32 1HB GLN 32 -5.480 -0.268 -26.140 225 2HB GLN 32 2HB GLN 32 -6.882 0.760 -25.903 226 1HG GLN 32 1HG GLN 32 -6.752 1.476 -28.235 227 2HG GLN 32 2HG GLN 32 -5.349 0.432 -28.471 228 1HE2 GLN 32 1HE2 GLN 32 -6.461 -1.655 -26.716 229 2HE2 GLN 32 2HE2 GLN 32 -7.686 -2.437 -27.645 230 H ILE 33 H ILE 33 -4.377 3.603 -27.744 231 HA ILE 33 HA ILE 33 -6.858 5.121 -27.536 232 HB ILE 33 HB ILE 33 -5.460 6.173 -25.838 233 1HG1 ILE 33 1HG1 ILE 33 -5.681 7.860 -28.344 234 2HG1 ILE 33 2HG1 ILE 33 -6.963 7.594 -27.166 235 1HG2 ILE 33 1HG2 ILE 33 -3.351 7.282 -26.425 236 2HG2 ILE 33 2HG2 ILE 33 -3.461 6.613 -28.053 237 3HG2 ILE 33 3HG2 ILE 33 -3.267 5.537 -26.670 238 1HD1 ILE 33 1HD1 ILE 33 -5.903 9.767 -26.883 239 2HD1 ILE 33 2HD1 ILE 33 -4.346 8.976 -26.627 240 3HD1 ILE 33 3HD1 ILE 33 -5.657 8.739 -25.472 241 H TYR 34 H TYR 34 -7.422 6.063 -29.456 242 HA TYR 34 HA TYR 34 -5.595 5.573 -31.700 243 1HB TYR 34 1HB TYR 34 -8.568 6.081 -31.590 244 2HB TYR 34 2HB TYR 34 -7.660 6.004 -33.098 245 HD1 TYR 34 HD1 TYR 34 -6.730 3.896 -33.883 246 HD2 TYR 34 HD2 TYR 34 -9.013 4.084 -30.297 247 HE1 TYR 34 HE1 TYR 34 -6.965 1.450 -33.912 248 HE2 TYR 34 HE2 TYR 34 -9.255 1.638 -30.315 249 HH TYR 34 HH TYR 34 -7.410 -0.368 -32.366 250 H LEU 35 H LEU 35 -5.100 7.133 -33.231 251 HA LEU 35 HA LEU 35 -4.646 9.724 -32.197 252 1HB LEU 35 1HB LEU 35 -3.501 8.283 -34.125 253 2HB LEU 35 2HB LEU 35 -4.583 9.221 -35.133 254 HG LEU 35 HG LEU 35 -2.284 10.151 -34.964 255 1HD1 LEU 35 1HD1 LEU 35 -2.961 12.476 -34.560 256 2HD1 LEU 35 2HD1 LEU 35 -4.483 11.904 -33.874 257 3HD1 LEU 35 3HD1 LEU 35 -4.117 11.614 -35.574 258 1HD2 LEU 35 1HD2 LEU 35 -1.826 9.539 -32.651 259 2HD2 LEU 35 2HD2 LEU 35 -3.058 10.675 -32.097 260 3HD2 LEU 35 3HD2 LEU 35 -1.608 11.271 -32.904 261 H ASP 36 H ASP 36 -7.122 8.362 -34.285 262 HA ASP 36 HA ASP 36 -8.299 10.645 -35.303 263 1HB ASP 36 1HB ASP 36 -9.452 7.977 -34.496 264 2HB ASP 36 2HB ASP 36 -10.427 9.226 -35.245 265 H ASP 37 H ASP 37 -8.809 9.064 -32.176 266 HA ASP 37 HA ASP 37 -10.867 10.810 -31.283 267 1HB ASP 37 1HB ASP 37 -8.974 9.011 -29.767 268 2HB ASP 37 2HB ASP 37 -10.273 9.918 -29.001 269 H MET 38 H MET 38 -7.370 10.777 -30.923 270 HA MET 38 HA MET 38 -7.178 12.870 -29.039 271 1HB MET 38 1HB MET 38 -5.124 12.118 -31.132 272 2HB MET 38 2HB MET 38 -4.826 12.956 -29.614 273 1HG MET 38 1HG MET 38 -5.499 10.961 -28.379 274 2HG MET 38 2HG MET 38 -5.791 10.120 -29.901 275 1HE MET 38 1HE MET 38 -3.201 11.490 -27.379 276 2HE MET 38 2HE MET 38 -2.863 12.549 -28.749 277 3HE MET 38 3HE MET 38 -1.670 11.353 -28.248 278 H PHE 39 H PHE 39 -7.481 12.810 -32.505 279 HA PHE 39 HA PHE 39 -6.841 15.555 -32.942 280 1HB PHE 39 1HB PHE 39 -6.654 13.861 -34.724 281 2HB PHE 39 2HB PHE 39 -8.395 13.612 -34.673 282 HD1 PHE 39 HD1 PHE 39 -5.822 16.220 -35.310 283 HD2 PHE 39 HD2 PHE 39 -9.793 14.863 -36.042 284 HE1 PHE 39 HE1 PHE 39 -6.115 17.995 -36.984 285 HE2 PHE 39 HE2 PHE 39 -10.093 16.639 -37.719 286 HZ PHE 39 HZ PHE 39 -8.253 18.207 -38.192 287 H GLU 40 H GLU 40 -9.627 13.869 -31.845 288 HA GLU 40 HA GLU 40 -11.523 15.895 -32.589 289 1HB GLU 40 1HB GLU 40 -11.673 13.451 -30.841 290 2HB GLU 40 2HB GLU 40 -13.018 14.567 -31.005 291 1HG GLU 40 1HG GLU 40 -12.896 14.183 -33.485 292 2HG GLU 40 2HG GLU 40 -11.742 12.894 -33.147 293 H GLY 41 H GLY 41 -9.168 15.710 -30.241 294 1HA GLY 41 1HA GLY 41 -8.786 17.722 -28.959 295 2HA GLY 41 2HA GLY 41 -10.522 17.855 -28.743 296 H GLU 42 H GLU 42 -10.424 14.788 -28.249 297 HA GLU 42 HA GLU 42 -9.904 15.093 -25.386 298 1HB GLU 42 1HB GLU 42 -12.096 14.142 -26.148 299 2HB GLU 42 2HB GLU 42 -11.218 12.765 -26.803 300 1HG GLU 42 1HG GLU 42 -10.489 12.104 -24.631 301 2HG GLU 42 2HG GLU 42 -11.129 13.579 -23.911 302 H LYS 43 H LYS 43 -8.338 14.004 -24.324 303 HA LYS 43 HA LYS 43 -6.708 12.126 -25.873 304 1HB LYS 43 1HB LYS 43 -4.647 13.179 -24.958 305 2HB LYS 43 2HB LYS 43 -5.527 14.197 -26.083 306 1HG LYS 43 1HG LYS 43 -5.827 14.479 -23.107 307 2HG LYS 43 2HG LYS 43 -4.554 15.299 -24.011 308 1HD LYS 43 1HD LYS 43 -6.243 16.411 -25.387 309 2HD LYS 43 2HD LYS 43 -7.519 15.576 -24.500 310 1HE LYS 43 1HE LYS 43 -6.768 16.662 -22.430 311 2HE LYS 43 2HE LYS 43 -5.534 17.528 -23.344 312 1HZ LYS 43 1HZ LYS 43 -8.477 17.783 -23.664 313 2HZ LYS 43 2HZ LYS 43 -7.330 18.548 -24.654 314 3HZ LYS 43 3HZ LYS 43 -7.420 18.934 -23.006 315 H VAL 44 H VAL 44 -7.156 10.332 -24.813 316 HA VAL 44 HA VAL 44 -6.077 9.918 -22.217 317 HB VAL 44 HB VAL 44 -8.033 10.864 -21.304 318 1HG1 VAL 44 1HG1 VAL 44 -9.661 9.290 -23.293 319 2HG1 VAL 44 2HG1 VAL 44 -9.328 11.019 -23.364 320 3HG1 VAL 44 3HG1 VAL 44 -10.300 10.363 -22.047 321 1HG2 VAL 44 1HG2 VAL 44 -8.504 7.894 -21.477 322 2HG2 VAL 44 2HG2 VAL 44 -9.270 8.981 -20.318 323 3HG2 VAL 44 3HG2 VAL 44 -7.523 8.736 -20.277 324 H ALA 45 H ALA 45 -5.416 7.874 -22.121 325 HA ALA 45 HA ALA 45 -6.383 6.044 -24.198 326 1HB ALA 45 1HB ALA 45 -4.344 4.755 -23.756 327 2HB ALA 45 2HB ALA 45 -3.897 5.906 -22.496 328 3HB ALA 45 3HB ALA 45 -3.980 6.428 -24.179 329 H VAL 46 H VAL 46 -7.376 4.191 -23.726 330 HA VAL 46 HA VAL 46 -7.846 3.615 -20.876 331 HB VAL 46 HB VAL 46 -9.905 4.124 -22.008 332 1HG1 VAL 46 1HG1 VAL 46 -9.291 3.682 -24.302 333 2HG1 VAL 46 2HG1 VAL 46 -10.750 2.782 -23.886 334 3HG1 VAL 46 3HG1 VAL 46 -9.195 1.954 -23.962 335 1HG2 VAL 46 1HG2 VAL 46 -10.014 2.396 -20.309 336 2HG2 VAL 46 2HG2 VAL 46 -9.676 1.165 -21.525 337 3HG2 VAL 46 3HG2 VAL 46 -11.184 2.076 -21.592 338 H CYS 47 H CYS 47 -7.228 1.719 -20.075 339 HA CYS 47 HA CYS 47 -6.114 -0.187 -21.965 340 1HB CYS 47 1HB CYS 47 -4.722 0.626 -20.023 341 2HB CYS 47 2HB CYS 47 -5.849 -0.193 -18.956 342 HA PRO 48 HA PRO 48 -9.781 -2.683 -21.251 343 1HB PRO 48 1HB PRO 48 -8.893 -4.749 -22.834 344 2HB PRO 48 2HB PRO 48 -9.762 -3.337 -23.442 345 1HG PRO 48 1HG PRO 48 -6.849 -3.931 -23.486 346 2HG PRO 48 2HG PRO 48 -7.847 -3.113 -24.698 347 1HD PRO 48 1HD PRO 48 -6.192 -1.797 -22.986 348 2HD PRO 48 2HD PRO 48 -7.680 -1.086 -23.641 349 H SER 49 H SER 49 -10.155 -4.636 -20.161 350 HA SER 49 HA SER 49 -9.726 -6.515 -18.933 351 1HB SER 49 1HB SER 49 -7.724 -7.102 -20.142 352 2HB SER 49 2HB SER 49 -6.804 -5.839 -19.326 353 HG SER 49 HG SER 49 -6.443 -7.184 -17.782 354 H CYS 50 H CYS 50 -7.435 -3.885 -18.008 355 HA CYS 50 HA CYS 50 -8.362 -4.240 -15.260 356 1HB CYS 50 1HB CYS 50 -6.555 -2.794 -14.591 357 2HB CYS 50 2HB CYS 50 -5.928 -3.993 -15.712 358 H SER 51 H SER 51 -8.657 -2.097 -17.952 359 HA SER 51 HA SER 51 -10.141 -0.458 -18.435 360 1HB SER 51 1HB SER 51 -11.808 -1.849 -17.236 361 2HB SER 51 2HB SER 51 -11.369 -1.049 -15.729 362 HG SER 51 HG SER 51 -12.052 0.929 -16.685 363 H LEU 52 H LEU 52 -7.671 0.267 -17.526 364 HA LEU 52 HA LEU 52 -8.121 2.445 -15.619 365 1HB LEU 52 1HB LEU 52 -6.198 0.604 -15.565 366 2HB LEU 52 2HB LEU 52 -5.418 1.733 -16.654 367 HG LEU 52 HG LEU 52 -6.417 2.498 -13.910 368 1HD1 LEU 52 1HD1 LEU 52 -3.631 1.715 -14.752 369 2HD1 LEU 52 2HD1 LEU 52 -4.706 0.767 -13.723 370 3HD1 LEU 52 3HD1 LEU 52 -4.107 2.330 -13.168 371 1HD2 LEU 52 1HD2 LEU 52 -6.150 4.373 -15.442 372 2HD2 LEU 52 2HD2 LEU 52 -4.508 3.851 -15.815 373 3HD2 LEU 52 3HD2 LEU 52 -4.909 4.408 -14.190 374 H MET 53 H MET 53 -7.886 4.520 -16.231 375 HA MET 53 HA MET 53 -7.199 5.053 -19.042 376 1HB MET 53 1HB MET 53 -9.432 6.253 -17.399 377 2HB MET 53 2HB MET 53 -8.919 6.882 -18.958 378 1HG MET 53 1HG MET 53 -9.651 4.973 -20.097 379 2HG MET 53 2HG MET 53 -9.784 4.036 -18.611 380 1HE MET 53 1HE MET 53 -11.243 6.096 -16.659 381 2HE MET 53 2HE MET 53 -11.613 4.378 -16.804 382 3HE MET 53 3HE MET 53 -12.910 5.570 -16.898 383 H ILE 54 H ILE 54 -5.918 6.772 -19.458 384 HA ILE 54 HA ILE 54 -5.330 8.672 -17.308 385 HB ILE 54 HB ILE 54 -2.996 8.473 -17.403 386 1HG1 ILE 54 1HG1 ILE 54 -2.787 8.323 -19.868 387 2HG1 ILE 54 2HG1 ILE 54 -1.728 7.199 -19.025 388 1HG2 ILE 54 1HG2 ILE 54 -4.068 5.665 -17.569 389 2HG2 ILE 54 2HG2 ILE 54 -3.967 6.672 -16.124 390 3HG2 ILE 54 3HG2 ILE 54 -2.492 6.123 -16.920 391 1HD1 ILE 54 1HD1 ILE 54 -2.735 6.200 -20.996 392 2HD1 ILE 54 2HD1 ILE 54 -4.343 6.508 -20.337 393 3HD1 ILE 54 3HD1 ILE 54 -3.258 5.380 -19.523 394 H ASP 55 H ASP 55 -4.359 10.669 -18.107 395 HA ASP 55 HA ASP 55 -5.366 11.338 -20.738 396 1HB ASP 55 1HB ASP 55 -3.983 12.950 -18.598 397 2HB ASP 55 2HB ASP 55 -4.372 13.620 -20.176 398 H VAL 56 H VAL 56 -4.028 12.400 -22.353 399 HA VAL 56 HA VAL 56 -1.185 11.639 -22.230 400 HB VAL 56 HB VAL 56 -2.932 11.383 -24.670 401 1HG1 VAL 56 1HG1 VAL 56 -0.670 11.937 -25.279 402 2HG1 VAL 56 2HG1 VAL 56 -0.960 10.236 -25.646 403 3HG1 VAL 56 3HG1 VAL 56 -0.039 10.684 -24.211 404 1HG2 VAL 56 1HG2 VAL 56 -2.670 8.967 -24.431 405 2HG2 VAL 56 2HG2 VAL 56 -3.474 9.665 -23.025 406 3HG2 VAL 56 3HG2 VAL 56 -1.772 9.213 -22.935 407 H VAL 57 H VAL 57 0.157 13.291 -22.643 408 HA VAL 57 HA VAL 57 -0.984 15.814 -23.539 409 HB VAL 57 HB VAL 57 1.858 15.228 -22.702 410 1HG1 VAL 57 1HG1 VAL 57 2.032 17.644 -22.398 411 2HG1 VAL 57 2HG1 VAL 57 0.372 17.838 -22.966 412 3HG1 VAL 57 3HG1 VAL 57 1.615 17.246 -24.067 413 1HG2 VAL 57 1HG2 VAL 57 1.251 16.173 -20.540 414 2HG2 VAL 57 2HG2 VAL 57 0.269 14.753 -20.900 415 3HG2 VAL 57 3HG2 VAL 57 -0.415 16.368 -21.083 416 H PHE 58 H PHE 58 -1.278 15.886 -25.667 417 HA PHE 58 HA PHE 58 0.847 14.931 -27.464 418 1HB PHE 58 1HB PHE 58 -0.837 14.820 -29.196 419 2HB PHE 58 2HB PHE 58 -1.448 13.987 -27.771 420 HD1 PHE 58 HD1 PHE 58 -1.883 16.798 -30.026 421 HD2 PHE 58 HD2 PHE 58 -3.228 15.005 -26.410 422 HE1 PHE 58 HE1 PHE 58 -3.901 18.202 -30.086 423 HE2 PHE 58 HE2 PHE 58 -5.249 16.406 -26.465 424 HZ PHE 58 HZ PHE 58 -5.589 18.004 -28.303 425 H ASP 59 H ASP 59 1.194 16.257 -29.458 426 HA ASP 59 HA ASP 59 0.607 19.110 -29.022 427 1HB ASP 59 1HB ASP 59 3.045 18.510 -28.588 428 2HB ASP 59 2HB ASP 59 3.162 18.144 -30.299 429 H LYS 60 H LYS 60 0.602 20.385 -30.941 430 HA LYS 60 HA LYS 60 -0.875 19.339 -33.075 431 1HB LYS 60 1HB LYS 60 0.887 21.770 -33.310 432 2HB LYS 60 2HB LYS 60 -0.678 21.482 -34.049 433 1HG LYS 60 1HG LYS 60 -1.237 22.987 -32.412 434 2HG LYS 60 2HG LYS 60 -1.507 21.464 -31.560 435 1HD LYS 60 1HD LYS 60 0.987 21.729 -30.860 436 2HD LYS 60 2HD LYS 60 0.739 23.425 -31.277 437 1HE LYS 60 1HE LYS 60 -1.033 23.612 -29.668 438 2HE LYS 60 2HE LYS 60 -0.981 21.877 -29.347 439 1HZ LYS 60 1HZ LYS 60 1.415 22.290 -28.659 440 2HZ LYS 60 2HZ LYS 60 0.204 22.838 -27.606 441 3HZ LYS 60 3HZ LYS 60 1.009 23.941 -28.615 442 H GLU 61 H GLU 61 2.534 20.145 -32.716 443 HA GLU 61 HA GLU 61 3.300 19.475 -35.372 444 1HB GLU 61 1HB GLU 61 4.894 19.759 -32.822 445 2HB GLU 61 2HB GLU 61 5.612 19.530 -34.409 446 1HG GLU 61 1HG GLU 61 3.730 21.794 -33.929 447 2HG GLU 61 2HG GLU 61 5.413 21.909 -33.418 448 H ASP 62 H ASP 62 3.173 17.733 -32.322 449 HA ASP 62 HA ASP 62 4.657 15.478 -33.207 450 1HB ASP 62 1HB ASP 62 4.028 16.282 -30.785 451 2HB ASP 62 2HB ASP 62 2.609 15.269 -31.035 452 H LEU 63 H LEU 63 1.191 16.214 -33.030 453 HA LEU 63 HA LEU 63 0.233 13.726 -33.908 454 1HB LEU 63 1HB LEU 63 -0.934 16.482 -34.286 455 2HB LEU 63 2HB LEU 63 -1.777 15.002 -34.687 456 HG LEU 63 HG LEU 63 -0.965 15.948 -31.942 457 1HD1 LEU 63 1HD1 LEU 63 -3.372 15.906 -31.534 458 2HD1 LEU 63 2HD1 LEU 63 -3.651 15.383 -33.195 459 3HD1 LEU 63 3HD1 LEU 63 -2.970 16.979 -32.874 460 1HD2 LEU 63 1HD2 LEU 63 -2.230 13.325 -32.729 461 2HD2 LEU 63 2HD2 LEU 63 -1.976 13.902 -31.083 462 3HD2 LEU 63 3HD2 LEU 63 -0.591 13.536 -32.113 463 H ALA 64 H ALA 64 1.164 16.625 -35.722 464 HA ALA 64 HA ALA 64 0.457 15.694 -38.279 465 1HB ALA 64 1HB ALA 64 2.635 17.648 -37.541 466 2HB ALA 64 2HB ALA 64 0.932 18.049 -37.760 467 3HB ALA 64 3HB ALA 64 1.884 17.469 -39.127 468 H GLU 65 H GLU 65 3.341 15.256 -36.327 469 HA GLU 65 HA GLU 65 5.029 14.167 -38.321 470 1HB GLU 65 1HB GLU 65 5.640 14.989 -35.963 471 2HB GLU 65 2HB GLU 65 5.067 13.427 -35.390 472 1HG GLU 65 1HG GLU 65 7.343 13.098 -35.584 473 2HG GLU 65 2HG GLU 65 6.733 12.449 -37.107 474 H TYR 66 H TYR 66 3.038 12.631 -35.816 475 HA TYR 66 HA TYR 66 3.506 9.976 -36.645 476 1HB TYR 66 1HB TYR 66 2.716 10.605 -34.383 477 2HB TYR 66 2HB TYR 66 1.167 11.078 -35.073 478 HD1 TYR 66 HD1 TYR 66 3.451 8.161 -34.742 479 HD2 TYR 66 HD2 TYR 66 -0.549 9.509 -35.264 480 HE1 TYR 66 HE1 TYR 66 2.645 5.850 -34.494 481 HE2 TYR 66 HE2 TYR 66 -1.363 7.206 -35.012 482 HH TYR 66 HH TYR 66 0.453 4.736 -33.774 483 H TYR 67 H TYR 67 1.079 12.363 -37.475 484 HA TYR 67 HA TYR 67 -0.776 10.866 -38.856 485 1HB TYR 67 1HB TYR 67 -1.346 13.099 -38.642 486 2HB TYR 67 2HB TYR 67 0.247 13.663 -39.125 487 HD1 TYR 67 HD1 TYR 67 0.560 14.508 -41.245 488 HD2 TYR 67 HD2 TYR 67 -2.785 11.983 -40.522 489 HE1 TYR 67 HE1 TYR 67 -0.263 14.970 -43.513 490 HE2 TYR 67 HE2 TYR 67 -3.620 12.435 -42.791 491 HH TYR 67 HH TYR 67 -1.773 13.748 -45.203 492 H GLU 68 H GLU 68 2.266 12.194 -40.082 493 HA GLU 68 HA GLU 68 1.908 11.153 -42.703 494 1HB GLU 68 1HB GLU 68 4.250 12.312 -41.204 495 2HB GLU 68 2HB GLU 68 4.424 11.681 -42.841 496 1HG GLU 68 1HG GLU 68 2.448 13.813 -42.079 497 2HG GLU 68 2HG GLU 68 4.075 14.150 -42.661 498 H GLU 69 H GLU 69 3.741 10.102 -39.860 499 HA GLU 69 HA GLU 69 5.105 7.995 -41.143 500 1HB GLU 69 1HB GLU 69 4.450 8.358 -38.219 501 2HB GLU 69 2HB GLU 69 5.622 7.213 -38.863 502 1HG GLU 69 1HG GLU 69 6.869 9.131 -39.832 503 2HG GLU 69 2HG GLU 69 5.745 10.215 -39.014 504 H ALA 70 H ALA 70 2.099 8.020 -39.259 505 HA ALA 70 HA ALA 70 1.804 5.155 -39.470 506 1HB ALA 70 1HB ALA 70 -0.138 7.237 -38.487 507 2HB ALA 70 2HB ALA 70 1.026 6.363 -37.493 508 3HB ALA 70 3HB ALA 70 -0.290 5.492 -38.281 509 H GLY 71 H GLY 71 0.788 7.937 -41.267 510 1HA GLY 71 1HA GLY 71 -0.238 8.001 -43.352 511 2HA GLY 71 2HA GLY 71 -0.450 6.253 -43.267 512 H ILE 72 H ILE 72 -1.523 9.114 -41.471 513 HA ILE 72 HA ILE 72 -4.050 7.803 -40.865 514 HB ILE 72 HB ILE 72 -3.130 10.569 -40.049 515 1HG1 ILE 72 1HG1 ILE 72 -2.744 7.906 -38.668 516 2HG1 ILE 72 2HG1 ILE 72 -1.480 8.951 -39.303 517 1HG2 ILE 72 1HG2 ILE 72 -4.720 10.305 -38.222 518 2HG2 ILE 72 2HG2 ILE 72 -5.168 8.713 -38.832 519 3HG2 ILE 72 3HG2 ILE 72 -5.527 10.155 -39.784 520 1HD1 ILE 72 1HD1 ILE 72 -1.583 9.138 -36.912 521 2HD1 ILE 72 2HD1 ILE 72 -3.297 9.544 -36.985 522 3HD1 ILE 72 3HD1 ILE 72 -2.099 10.657 -37.644 523 H HIS 73 H HIS 73 -6.112 9.033 -41.183 524 HA HIS 73 HA HIS 73 -6.465 9.761 -43.876 525 1HB HIS 73 1HB HIS 73 -8.733 10.149 -43.354 526 2HB HIS 73 2HB HIS 73 -8.238 8.924 -42.196 527 HD1 HIS 73 HD1 HIS 73 -8.249 9.576 -39.698 528 HD2 HIS 73 HD2 HIS 73 -9.320 12.683 -42.256 529 HE1 HIS 73 HE1 HIS 73 -9.193 11.383 -38.222 530 HE2 HIS 73 HE2 HIS 73 -9.916 13.219 -39.795 531 HA PRO 74 HA PRO 74 -5.220 14.007 -44.157 532 1HB PRO 74 1HB PRO 74 -7.393 14.907 -45.676 533 2HB PRO 74 2HB PRO 74 -5.883 14.249 -46.310 534 1HG PRO 74 1HG PRO 74 -8.517 12.914 -45.911 535 2HG PRO 74 2HG PRO 74 -7.315 12.674 -47.192 536 1HD PRO 74 1HD PRO 74 -7.613 10.910 -45.199 537 2HD PRO 74 2HD PRO 74 -6.015 11.276 -45.881 538 HA PRO 75 HA PRO 75 -7.913 15.540 -40.922 539 1HB PRO 75 1HB PRO 75 -6.009 16.785 -39.523 540 2HB PRO 75 2HB PRO 75 -6.098 15.021 -39.582 541 1HG PRO 75 1HG PRO 75 -4.197 16.858 -40.915 542 2HG PRO 75 2HG PRO 75 -3.964 15.183 -40.394 543 1HD PRO 75 1HD PRO 75 -4.580 16.130 -43.018 544 2HD PRO 75 2HD PRO 75 -4.437 14.446 -42.480 545 H GLU 76 H GLU 76 -8.551 17.628 -40.111 546 HA GLU 76 HA GLU 76 -8.514 19.696 -42.078 547 1HB GLU 76 1HB GLU 76 -9.587 19.577 -39.254 548 2HB GLU 76 2HB GLU 76 -9.719 21.008 -40.264 549 1HG GLU 76 1HG GLU 76 -11.786 19.885 -40.429 550 2HG GLU 76 2HG GLU 76 -10.941 19.580 -41.943 551 HA PRO 77 HA PRO 77 -4.697 21.582 -41.263 552 1HB PRO 77 1HB PRO 77 -6.130 24.178 -41.533 553 2HB PRO 77 2HB PRO 77 -4.700 23.582 -42.384 554 1HG PRO 77 1HG PRO 77 -7.059 23.630 -43.601 555 2HG PRO 77 2HG PRO 77 -5.951 22.263 -43.833 556 1HD PRO 77 1HD PRO 77 -8.418 22.444 -42.152 557 2HD PRO 77 2HD PRO 77 -7.811 21.089 -43.124 558 H ILE 78 H ILE 78 -3.482 22.419 -39.674 559 HA ILE 78 HA ILE 78 -4.876 23.540 -37.326 560 HB ILE 78 HB ILE 78 -3.175 22.490 -35.879 561 1HG1 ILE 78 1HG1 ILE 78 -2.312 20.985 -38.363 562 2HG1 ILE 78 2HG1 ILE 78 -1.400 22.301 -37.629 563 1HG2 ILE 78 1HG2 ILE 78 -4.668 20.533 -37.616 564 2HG2 ILE 78 2HG2 ILE 78 -5.314 21.390 -36.217 565 3HG2 ILE 78 3HG2 ILE 78 -4.027 20.204 -36.007 566 1HD1 ILE 78 1HD1 ILE 78 -0.495 20.125 -37.012 567 2HD1 ILE 78 2HD1 ILE 78 -2.052 19.666 -36.321 568 3HD1 ILE 78 3HD1 ILE 78 -1.119 20.977 -35.600 569 H ALA 79 H ALA 79 -3.712 25.106 -36.112 570 HA ALA 79 HA ALA 79 -1.661 26.486 -37.690 571 1HB ALA 79 1HB ALA 79 -2.124 28.422 -36.290 572 2HB ALA 79 2HB ALA 79 -3.251 27.470 -35.325 573 3HB ALA 79 3HB ALA 79 -3.605 27.802 -37.019 574 H ALA 80 H ALA 80 0.056 25.098 -37.172 575 HA ALA 80 HA ALA 80 0.820 24.801 -34.386 576 1HB ALA 80 1HB ALA 80 2.599 23.363 -35.236 577 2HB ALA 80 2HB ALA 80 2.163 23.792 -36.892 578 3HB ALA 80 3HB ALA 80 1.030 22.891 -35.884 579 H ALA 81 H ALA 81 1.379 26.957 -36.912 580 HA ALA 81 HA ALA 81 3.691 28.081 -35.485 581 1HB ALA 81 1HB ALA 81 4.727 28.716 -37.563 582 2HB ALA 81 2HB ALA 81 3.364 28.082 -38.484 583 3HB ALA 81 3HB ALA 81 4.412 26.980 -37.588 584 H ALA 82 H ALA 82 2.870 29.808 -34.510 585 HA ALA 82 HA ALA 82 1.748 31.930 -36.122 586 1HB ALA 82 1HB ALA 82 -0.262 32.209 -34.772 587 2HB ALA 82 2HB ALA 82 0.164 30.785 -33.822 588 3HB ALA 82 3HB ALA 82 -0.240 30.615 -35.529
Contact the webmaster for help, if required. Thursday, June 6, 2024 5:17:43 AM GMT (wattos1)