NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618262 | 5mpg | 34079 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -13.277 -10.049 -13.793 2 H2 ALA 1 H2 ALA 1 -14.291 -10.074 -12.434 3 H3 ALA 1 H3 ALA 1 -14.152 -11.451 -13.412 4 HA ALA 1 HA ALA 1 -12.909 -11.704 -11.367 5 HB1 ALA 1 HB1 ALA 1 -11.173 -11.425 -13.818 6 HB2 ALA 1 HB2 ALA 1 -12.163 -12.827 -13.409 7 HB3 ALA 1 HB3 ALA 1 -10.801 -12.380 -12.382 8 H SER 2 H SER 2 -10.396 -11.186 -10.793 9 HA SER 2 HA SER 2 -8.830 -9.731 -10.046 10 HB2 SER 2 HB3 SER 2 -10.212 -7.666 -11.773 11 HB3 SER 2 HB2 SER 2 -8.635 -7.480 -11.008 12 HG SER 2 HG SER 2 -8.521 -8.145 -13.224 13 H LYS 3 H LYS 3 -9.019 -9.412 -7.955 14 HA LYS 3 HA LYS 3 -10.998 -7.440 -7.013 15 HB2 LYS 3 HB3 LYS 3 -11.744 -9.690 -6.387 16 HB3 LYS 3 HB2 LYS 3 -10.188 -10.009 -5.635 17 HG2 LYS 3 HG3 LYS 3 -11.767 -9.517 -3.917 18 HG3 LYS 3 HG2 LYS 3 -10.646 -8.161 -4.036 19 HD2 LYS 3 HD3 LYS 3 -12.849 -7.266 -3.796 20 HD3 LYS 3 HD2 LYS 3 -12.341 -6.994 -5.464 21 HE2 LYS 3 HE3 LYS 3 -13.611 -8.977 -6.158 22 HE3 LYS 3 HE2 LYS 3 -14.137 -9.214 -4.493 23 HZ1 LYS 3 HZ1 LYS 3 -14.763 -6.871 -6.210 24 HZ2 LYS 3 HZ2 LYS 3 -15.230 -7.043 -4.589 25 HZ3 LYS 3 HZ3 LYS 3 -15.840 -8.103 -5.763 26 H SER 4 H SER 4 -10.146 -5.814 -5.875 27 HA SER 4 HA SER 4 -7.357 -5.804 -5.194 28 HB2 SER 4 HB3 SER 4 -9.539 -3.827 -4.472 29 HB3 SER 4 HB2 SER 4 -7.801 -3.550 -4.332 30 HG SER 4 HG SER 4 -7.876 -4.160 -6.729 31 H GLU 5 H GLU 5 -6.938 -7.346 -3.718 32 HA GLU 5 HA GLU 5 -7.833 -6.946 -0.995 33 HB2 GLU 5 HB3 GLU 5 -9.632 -8.346 -1.820 34 HB3 GLU 5 HB2 GLU 5 -8.489 -9.452 -2.564 35 HG2 GLU 5 HG3 GLU 5 -7.634 -9.881 -0.195 36 HG3 GLU 5 HG2 GLU 5 -9.105 -9.073 0.345 37 H SER 6 H SER 6 -6.399 -7.865 0.496 38 HA SER 6 HA SER 6 -4.101 -9.307 -0.643 39 HB2 SER 6 HB3 SER 6 -4.404 -8.038 2.094 40 HB3 SER 6 HB2 SER 6 -2.944 -8.802 1.464 41 HG SER 6 HG SER 6 -4.120 -6.346 0.798 42 HA PRO 7 HA PRO 7 -6.725 -12.544 1.162 43 HB2 PRO 7 HB3 PRO 7 -6.072 -14.500 -0.573 44 HB3 PRO 7 HB2 PRO 7 -7.221 -13.221 -0.981 45 HG2 PRO 7 HG3 PRO 7 -4.348 -13.505 -1.742 46 HG3 PRO 7 HG2 PRO 7 -5.716 -12.932 -2.714 47 HD2 PRO 7 HD3 PRO 7 -3.888 -11.285 -1.487 48 HD3 PRO 7 HD2 PRO 7 -5.541 -10.802 -1.911 49 H LYS 8 H LYS 8 -6.069 -13.531 2.939 50 HA LYS 8 HA LYS 8 -3.349 -14.405 3.309 51 HB2 LYS 8 HB3 LYS 8 -5.777 -14.967 5.032 52 HB3 LYS 8 HB2 LYS 8 -4.100 -15.196 5.496 53 HG2 LYS 8 HG3 LYS 8 -4.668 -13.221 6.547 54 HG3 LYS 8 HG2 LYS 8 -3.865 -12.665 5.081 55 HD2 LYS 8 HD3 LYS 8 -5.744 -11.310 5.179 56 HD3 LYS 8 HD2 LYS 8 -6.255 -12.593 4.085 57 HE2 LYS 8 HE3 LYS 8 -6.865 -12.486 7.038 58 HE3 LYS 8 HE2 LYS 8 -7.971 -11.988 5.764 59 HZ1 LYS 8 HZ1 LYS 8 -7.876 -14.292 4.903 60 HZ2 LYS 8 HZ2 LYS 8 -8.519 -14.185 6.472 61 HZ3 LYS 8 HZ3 LYS 8 -6.934 -14.733 6.247 62 H GLU 9 H GLU 9 -6.453 -15.725 2.536 63 HA GLU 9 HA GLU 9 -5.535 -18.461 2.434 64 HB2 GLU 9 HB3 GLU 9 -8.055 -17.616 1.086 65 HB3 GLU 9 HB2 GLU 9 -7.737 -19.037 2.067 66 HG2 GLU 9 HG3 GLU 9 -9.214 -17.833 3.367 67 HG3 GLU 9 HG2 GLU 9 -7.651 -17.382 4.043 68 HA PRO 10 HA PRO 10 -3.788 -18.153 -1.614 69 HB2 PRO 10 HB3 PRO 10 -4.697 -20.945 -2.002 70 HB3 PRO 10 HB2 PRO 10 -3.066 -20.270 -2.083 71 HG2 PRO 10 HG3 PRO 10 -3.833 -21.780 -0.016 72 HG3 PRO 10 HG2 PRO 10 -2.761 -20.385 0.209 73 HD2 PRO 10 HD3 PRO 10 -5.691 -20.634 0.763 74 HD3 PRO 10 HD2 PRO 10 -4.432 -19.804 1.703 75 H GLU 11 H GLU 11 -4.546 -17.429 -3.485 76 HA GLU 11 HA GLU 11 -7.243 -17.163 -4.142 77 HB2 GLU 11 HB3 GLU 11 -5.665 -15.707 -5.170 78 HB3 GLU 11 HB2 GLU 11 -4.694 -17.043 -5.760 79 HG2 GLU 11 HG3 GLU 11 -5.732 -16.243 -7.663 80 HG3 GLU 11 HG2 GLU 11 -6.723 -17.625 -7.207 81 H GLN 12 H GLN 12 -4.826 -19.484 -5.267 82 HA GLN 12 HA GLN 12 -6.417 -20.953 -7.015 83 HB2 GLN 12 HB3 GLN 12 -4.260 -21.579 -7.273 84 HB3 GLN 12 HB2 GLN 12 -3.876 -21.317 -5.579 85 HG2 GLN 12 HG3 GLN 12 -4.891 -23.461 -5.023 86 HG3 GLN 12 HG2 GLN 12 -5.280 -23.721 -6.718 87 HE21 GLN 12 HE21 GLN 12 -4.055 -25.600 -6.743 88 HE22 GLN 12 HE22 GLN 12 -2.323 -25.562 -6.781 89 H LEU 13 H LEU 13 -6.100 -21.159 -3.530 90 HA LEU 13 HA LEU 13 -7.524 -23.653 -3.351 91 HB2 LEU 13 HB3 LEU 13 -5.767 -23.191 -1.777 92 HB3 LEU 13 HB2 LEU 13 -6.536 -21.700 -1.277 93 HG LEU 13 HG LEU 13 -8.085 -24.204 -0.869 94 HD11 LEU 13 HD11 LEU 13 -5.842 -24.875 -0.181 95 HD12 LEU 13 HD12 LEU 13 -6.897 -24.681 1.218 96 HD13 LEU 13 HD13 LEU 13 -5.711 -23.435 0.828 97 HD21 LEU 13 HD21 LEU 13 -8.732 -23.034 1.179 98 HD22 LEU 13 HD22 LEU 13 -8.982 -22.014 -0.239 99 HD23 LEU 13 HD23 LEU 13 -7.588 -21.742 0.808 100 H ARG 14 H ARG 14 -8.287 -20.270 -3.209 101 HA ARG 14 HA ARG 14 -10.958 -20.755 -2.152 102 HB2 ARG 14 HB3 ARG 14 -9.663 -18.200 -3.110 103 HB3 ARG 14 HB2 ARG 14 -11.241 -18.312 -2.353 104 HG2 ARG 14 HG3 ARG 14 -10.060 -19.279 -0.339 105 HG3 ARG 14 HG2 ARG 14 -8.552 -18.780 -1.116 106 HD2 ARG 14 HD3 ARG 14 -10.845 -17.046 -0.234 107 HD3 ARG 14 HD2 ARG 14 -9.186 -17.026 0.357 108 HE ARG 14 HE ARG 14 -9.200 -16.472 -2.398 109 HH11 ARG 14 HH11 ARG 14 -9.971 -14.983 0.687 110 HH12 ARG 14 HH12 ARG 14 -9.891 -13.360 0.046 111 HH21 ARG 14 HH21 ARG 14 -9.110 -14.320 -3.219 112 HH22 ARG 14 HH22 ARG 14 -9.411 -12.987 -2.135 113 H LYS 15 H LYS 15 -9.425 -20.775 -5.129 114 HA LYS 15 HA LYS 15 -11.719 -19.828 -6.634 115 HB2 LYS 15 HB3 LYS 15 -9.384 -19.269 -7.336 116 HB3 LYS 15 HB2 LYS 15 -9.124 -20.973 -7.683 117 HG2 LYS 15 HG3 LYS 15 -10.894 -20.906 -9.365 118 HG3 LYS 15 HG2 LYS 15 -11.163 -19.199 -9.014 119 HD2 LYS 15 HD3 LYS 15 -8.584 -20.382 -10.044 120 HD3 LYS 15 HD2 LYS 15 -9.785 -19.546 -11.027 121 HE2 LYS 15 HE3 LYS 15 -8.259 -18.349 -8.718 122 HE3 LYS 15 HE2 LYS 15 -7.903 -18.089 -10.424 123 HZ1 LYS 15 HZ1 LYS 15 -10.436 -17.326 -9.065 124 HZ2 LYS 15 HZ2 LYS 15 -10.050 -17.028 -10.686 125 HZ3 LYS 15 HZ3 LYS 15 -9.181 -16.266 -9.458 126 H LEU 16 H LEU 16 -13.091 -21.043 -7.743 127 HA LEU 16 HA LEU 16 -12.856 -23.971 -7.510 128 HB2 LEU 16 HB3 LEU 16 -14.822 -22.391 -6.573 129 HB3 LEU 16 HB2 LEU 16 -15.412 -22.626 -8.202 130 HG LEU 16 HG LEU 16 -15.561 -25.008 -7.880 131 HD11 LEU 16 HD11 LEU 16 -13.667 -25.463 -6.509 132 HD12 LEU 16 HD12 LEU 16 -15.101 -25.949 -5.600 133 HD13 LEU 16 HD13 LEU 16 -14.285 -24.434 -5.218 134 HD21 LEU 16 HD21 LEU 16 -16.709 -23.482 -5.544 135 HD22 LEU 16 HD22 LEU 16 -17.253 -25.063 -6.109 136 HD23 LEU 16 HD23 LEU 16 -17.441 -23.645 -7.141 137 H PHE 17 H PHE 17 -12.736 -25.122 -9.338 138 HA PHE 17 HA PHE 17 -12.748 -23.742 -11.899 139 HB2 PHE 17 HB3 PHE 17 -10.923 -25.307 -11.404 140 HB3 PHE 17 HB2 PHE 17 -12.084 -26.607 -11.168 141 HD1 PHE 17 HD1 PHE 17 -11.740 -28.152 -12.838 142 HD2 PHE 17 HD2 PHE 17 -11.801 -24.019 -13.833 143 HE1 PHE 17 HE1 PHE 17 -11.561 -28.724 -15.223 144 HE2 PHE 17 HE2 PHE 17 -11.623 -24.585 -16.216 145 HZ PHE 17 HZ PHE 17 -11.498 -26.938 -16.917 146 H ILE 18 H ILE 18 -14.582 -23.563 -12.987 147 HA ILE 18 HA ILE 18 -16.705 -25.544 -12.494 148 HB ILE 18 HB ILE 18 -17.075 -22.837 -13.771 149 HG12 ILE 18 HG12 ILE 18 -16.177 -22.369 -11.599 150 HG13 ILE 18 HG13 ILE 18 -17.916 -22.111 -11.517 151 HG21 ILE 18 HG21 ILE 18 -18.992 -24.732 -12.419 152 HG22 ILE 18 HG22 ILE 18 -18.852 -24.452 -14.154 153 HG23 ILE 18 HG23 ILE 18 -19.409 -23.157 -13.094 154 HD11 ILE 18 HD11 ILE 18 -18.180 -24.298 -10.457 155 HD12 ILE 18 HD12 ILE 18 -17.115 -23.236 -9.535 156 HD13 ILE 18 HD13 ILE 18 -16.432 -24.530 -10.522 157 H GLY 19 H GLY 19 -16.313 -27.103 -13.997 158 HA2 GLY 19 HA3 GLY 19 -15.985 -26.189 -16.784 159 HA3 GLY 19 HA2 GLY 19 -15.394 -27.723 -16.167 160 H GLY 20 H GLY 20 -17.246 -26.987 -18.406 161 HA2 GLY 20 HA3 GLY 20 -18.899 -28.279 -19.410 162 HA3 GLY 20 HA2 GLY 20 -19.151 -29.104 -17.879 163 H LEU 21 H LEU 21 -19.320 -25.668 -18.785 164 HA LEU 21 HA LEU 21 -22.026 -25.658 -17.653 165 HB2 LEU 21 HB3 LEU 21 -21.628 -23.127 -17.494 166 HB3 LEU 21 HB2 LEU 21 -20.848 -24.180 -16.333 167 HG LEU 21 HG LEU 21 -18.787 -24.029 -17.874 168 HD11 LEU 21 HD11 LEU 21 -20.184 -21.526 -18.774 169 HD12 LEU 21 HD12 LEU 21 -20.049 -22.980 -19.758 170 HD13 LEU 21 HD13 LEU 21 -18.597 -22.108 -19.266 171 HD21 LEU 21 HD21 LEU 21 -18.081 -21.956 -16.782 172 HD22 LEU 21 HD22 LEU 21 -18.918 -23.034 -15.663 173 HD23 LEU 21 HD23 LEU 21 -19.755 -21.630 -16.328 174 H SER 22 H SER 22 -23.181 -23.512 -18.579 175 HA SER 22 HA SER 22 -23.916 -24.366 -21.197 176 HB2 SER 22 HB3 SER 22 -25.627 -23.616 -19.668 177 HB3 SER 22 HB2 SER 22 -24.824 -22.063 -19.458 178 HG SER 22 HG SER 22 -26.419 -21.693 -20.899 179 H PHE 23 H PHE 23 -23.948 -23.051 -23.094 180 HA PHE 23 HA PHE 23 -21.559 -21.486 -23.421 181 HB2 PHE 23 HB3 PHE 23 -23.818 -22.041 -25.357 182 HB3 PHE 23 HB2 PHE 23 -22.282 -21.283 -25.772 183 HD1 PHE 23 HD1 PHE 23 -24.039 -24.295 -25.712 184 HD2 PHE 23 HD2 PHE 23 -20.159 -22.683 -25.049 185 HE1 PHE 23 HE1 PHE 23 -23.053 -26.518 -26.086 186 HE2 PHE 23 HE2 PHE 23 -19.165 -24.901 -25.426 187 HZ PHE 23 HZ PHE 23 -20.614 -26.822 -25.945 188 H GLU 24 H GLU 24 -24.570 -20.856 -22.236 189 HA GLU 24 HA GLU 24 -24.560 -18.047 -23.059 190 HB2 GLU 24 HB3 GLU 24 -26.567 -19.435 -21.280 191 HB3 GLU 24 HB2 GLU 24 -26.760 -17.904 -22.123 192 HG2 GLU 24 HG3 GLU 24 -26.596 -19.168 -24.274 193 HG3 GLU 24 HG2 GLU 24 -26.641 -20.652 -23.327 194 H THR 25 H THR 25 -23.308 -20.032 -20.719 195 HA THR 25 HA THR 25 -23.571 -18.348 -18.424 196 HB THR 25 HB THR 25 -21.606 -20.587 -18.928 197 HG1 THR 25 HG1 THR 25 -24.183 -20.602 -17.699 198 HG21 THR 25 HG21 THR 25 -22.565 -19.327 -16.353 199 HG22 THR 25 HG22 THR 25 -20.962 -19.139 -17.063 200 HG23 THR 25 HG23 THR 25 -21.487 -20.718 -16.480 201 H THR 26 H THR 26 -22.755 -16.348 -18.742 202 HA THR 26 HA THR 26 -19.891 -16.149 -19.358 203 HB THR 26 HB THR 26 -21.266 -14.822 -20.890 204 HG1 THR 26 HG1 THR 26 -19.806 -13.290 -20.812 205 HG21 THR 26 HG21 THR 26 -23.208 -14.466 -19.459 206 HG22 THR 26 HG22 THR 26 -22.594 -12.930 -20.075 207 HG23 THR 26 HG23 THR 26 -22.256 -13.412 -18.412 208 H ASP 27 H ASP 27 -19.188 -13.858 -18.164 209 HA ASP 27 HA ASP 27 -18.634 -14.590 -15.566 210 HB2 ASP 27 HB3 ASP 27 -17.332 -12.887 -16.577 211 HB3 ASP 27 HB2 ASP 27 -18.739 -11.873 -16.864 212 H GLU 28 H GLU 28 -21.132 -12.263 -16.592 213 HA GLU 28 HA GLU 28 -22.131 -11.787 -14.006 214 HB2 GLU 28 HB3 GLU 28 -24.090 -10.812 -15.134 215 HB3 GLU 28 HB2 GLU 28 -22.574 -10.254 -15.820 216 HG2 GLU 28 HG3 GLU 28 -22.840 -11.827 -17.676 217 HG3 GLU 28 HG2 GLU 28 -24.376 -12.359 -16.992 218 H SER 29 H SER 29 -22.930 -14.254 -16.380 219 HA SER 29 HA SER 29 -25.284 -15.129 -14.971 220 HB2 SER 29 HB3 SER 29 -25.064 -15.413 -17.423 221 HB3 SER 29 HB2 SER 29 -23.706 -16.506 -17.167 222 HG SER 29 HG SER 29 -25.830 -17.513 -17.502 223 H LEU 30 H LEU 30 -21.903 -15.860 -15.004 224 HA LEU 30 HA LEU 30 -22.091 -18.389 -13.679 225 HB2 LEU 30 HB3 LEU 30 -20.200 -17.579 -15.169 226 HB3 LEU 30 HB2 LEU 30 -19.692 -16.563 -13.840 227 HG LEU 30 HG LEU 30 -18.414 -18.715 -14.139 228 HD11 LEU 30 HD11 LEU 30 -19.775 -18.314 -11.482 229 HD12 LEU 30 HD12 LEU 30 -18.320 -17.490 -12.044 230 HD13 LEU 30 HD13 LEU 30 -18.292 -19.230 -11.759 231 HD21 LEU 30 HD21 LEU 30 -20.968 -19.928 -13.103 232 HD22 LEU 30 HD22 LEU 30 -19.426 -20.766 -13.284 233 HD23 LEU 30 HD23 LEU 30 -20.275 -20.163 -14.708 234 H ARG 31 H ARG 31 -20.990 -15.146 -12.639 235 HA ARG 31 HA ARG 31 -20.561 -15.986 -9.982 236 HB2 ARG 31 HB3 ARG 31 -19.889 -13.842 -9.511 237 HB3 ARG 31 HB2 ARG 31 -19.673 -13.868 -11.252 238 HG2 ARG 31 HG3 ARG 31 -21.832 -12.724 -11.516 239 HG3 ARG 31 HG2 ARG 31 -21.994 -12.686 -9.755 240 HD2 ARG 31 HD3 ARG 31 -19.642 -11.485 -11.194 241 HD3 ARG 31 HD2 ARG 31 -21.113 -10.575 -10.851 242 HE ARG 31 HE ARG 31 -20.505 -11.514 -8.428 243 HH11 ARG 31 HH11 ARG 31 -18.454 -9.994 -10.830 244 HH12 ARG 31 HH12 ARG 31 -17.429 -9.242 -9.651 245 HH21 ARG 31 HH21 ARG 31 -19.154 -10.552 -6.891 246 HH22 ARG 31 HH22 ARG 31 -17.832 -9.544 -7.404 247 H SER 32 H SER 32 -23.379 -14.618 -11.600 248 HA SER 32 HA SER 32 -24.815 -13.921 -9.286 249 HB2 SER 32 HB3 SER 32 -25.446 -13.139 -11.535 250 HB3 SER 32 HB2 SER 32 -25.879 -14.785 -11.990 251 HG SER 32 HG SER 32 -27.152 -13.056 -10.149 252 H HIS 33 H HIS 33 -24.374 -16.987 -10.914 253 HA HIS 33 HA HIS 33 -26.420 -18.231 -9.257 254 HB2 HIS 33 HB3 HIS 33 -24.811 -19.167 -11.613 255 HB3 HIS 33 HB2 HIS 33 -25.674 -20.317 -10.598 256 HD2 HIS 33 HD2 HIS 33 -26.576 -17.175 -12.817 257 HE1 HIS 33 HE1 HIS 33 -29.876 -19.815 -12.606 258 HE2 HIS 33 HE2 HIS 33 -29.040 -17.607 -13.527 259 H PHE 34 H PHE 34 -23.158 -17.540 -8.982 260 HA PHE 34 HA PHE 34 -22.790 -19.827 -7.171 261 HB2 PHE 34 HB3 PHE 34 -20.842 -18.239 -8.777 262 HB3 PHE 34 HB2 PHE 34 -20.303 -18.991 -7.284 263 HD1 PHE 34 HD1 PHE 34 -19.815 -21.271 -7.186 264 HD2 PHE 34 HD2 PHE 34 -21.838 -19.700 -10.582 265 HE1 PHE 34 HE1 PHE 34 -19.507 -23.412 -8.352 266 HE2 PHE 34 HE2 PHE 34 -21.533 -21.842 -11.756 267 HZ PHE 34 HZ PHE 34 -20.365 -23.705 -10.641 268 H GLU 35 H GLU 35 -23.047 -16.381 -7.288 269 HA GLU 35 HA GLU 35 -21.849 -15.849 -4.751 270 HB2 GLU 35 HB3 GLU 35 -23.729 -14.239 -6.464 271 HB3 GLU 35 HB2 GLU 35 -23.111 -13.660 -4.927 272 HG2 GLU 35 HG3 GLU 35 -20.826 -13.843 -5.806 273 HG3 GLU 35 HG2 GLU 35 -21.484 -14.349 -7.361 274 H GLN 36 H GLN 36 -24.079 -17.890 -5.038 275 HA GLN 36 HA GLN 36 -26.105 -16.752 -3.268 276 HB2 GLN 36 HB3 GLN 36 -25.997 -19.181 -5.030 277 HB3 GLN 36 HB2 GLN 36 -27.224 -19.008 -3.784 278 HG2 GLN 36 HG3 GLN 36 -28.155 -17.107 -4.821 279 HG3 GLN 36 HG2 GLN 36 -26.755 -16.900 -5.868 280 HE21 GLN 36 HE21 GLN 36 -26.563 -19.694 -6.575 281 HE22 GLN 36 HE22 GLN 36 -27.875 -20.029 -7.652 282 H TRP 37 H TRP 37 -23.426 -18.895 -3.267 283 HA TRP 37 HA TRP 37 -24.156 -19.788 -0.559 284 HB2 TRP 37 HB3 TRP 37 -22.379 -21.176 -2.587 285 HB3 TRP 37 HB2 TRP 37 -22.636 -21.719 -0.934 286 HD1 TRP 37 HD1 TRP 37 -24.909 -22.929 -0.369 287 HE1 TRP 37 HE1 TRP 37 -26.806 -23.895 -1.812 288 HE3 TRP 37 HE3 TRP 37 -23.682 -20.787 -4.842 289 HZ2 TRP 37 HZ2 TRP 37 -27.661 -23.767 -4.488 290 HZ3 TRP 37 HZ3 TRP 37 -25.095 -21.270 -6.794 291 HH2 TRP 37 HH2 TRP 37 -27.042 -22.728 -6.623 292 H GLY 38 H GLY 38 -22.652 -17.407 -1.813 293 HA2 GLY 38 HA3 GLY 38 -21.061 -16.731 0.296 294 HA3 GLY 38 HA2 GLY 38 -19.990 -17.662 -0.739 295 H THR 39 H THR 39 -18.852 -15.538 -0.643 296 HA THR 39 HA THR 39 -19.960 -13.576 -2.552 297 HB THR 39 HB THR 39 -17.865 -13.305 -0.387 298 HG1 THR 39 HG1 THR 39 -19.910 -13.124 0.456 299 HG21 THR 39 HG21 THR 39 -17.736 -10.916 -1.022 300 HG22 THR 39 HG22 THR 39 -18.726 -11.262 -2.440 301 HG23 THR 39 HG23 THR 39 -17.124 -11.988 -2.284 302 H LEU 40 H LEU 40 -19.023 -13.491 -4.555 303 HA LEU 40 HA LEU 40 -16.540 -14.989 -4.901 304 HB2 LEU 40 HB3 LEU 40 -18.393 -13.794 -6.955 305 HB3 LEU 40 HB2 LEU 40 -16.886 -14.570 -7.333 306 HG LEU 40 HG LEU 40 -17.669 -16.681 -6.745 307 HD11 LEU 40 HD11 LEU 40 -19.739 -17.198 -5.692 308 HD12 LEU 40 HD12 LEU 40 -20.140 -15.486 -5.577 309 HD13 LEU 40 HD13 LEU 40 -18.783 -16.137 -4.660 310 HD21 LEU 40 HD21 LEU 40 -18.492 -15.879 -8.873 311 HD22 LEU 40 HD22 LEU 40 -19.922 -15.219 -8.079 312 HD23 LEU 40 HD23 LEU 40 -19.659 -16.963 -8.117 313 H THR 41 H THR 41 -14.749 -13.960 -4.604 314 HA THR 41 HA THR 41 -14.525 -11.107 -4.914 315 HB THR 41 HB THR 41 -12.146 -11.502 -4.281 316 HG1 THR 41 HG1 THR 41 -12.203 -13.975 -3.427 317 HG21 THR 41 HG21 THR 41 -13.824 -11.129 -2.547 318 HG22 THR 41 HG22 THR 41 -12.601 -12.275 -1.995 319 HG23 THR 41 HG23 THR 41 -14.185 -12.856 -2.514 320 H ASP 42 H ASP 42 -13.897 -13.966 -6.749 321 HA ASP 42 HA ASP 42 -12.906 -12.363 -8.981 322 HB2 ASP 42 HB3 ASP 42 -10.916 -13.225 -7.724 323 HB3 ASP 42 HB2 ASP 42 -11.467 -14.856 -8.059 324 H CYS 43 H CYS 43 -14.682 -12.791 -10.202 325 HA CYS 43 HA CYS 43 -15.148 -15.623 -10.818 326 HB2 CYS 43 HB3 CYS 43 -17.414 -14.949 -11.522 327 HB3 CYS 43 HB2 CYS 43 -17.109 -14.489 -9.853 328 HG CYS 43 HG CYS 43 -17.136 -12.407 -12.571 329 H VAL 44 H VAL 44 -14.839 -16.280 -12.905 330 HA VAL 44 HA VAL 44 -14.740 -14.374 -15.056 331 HB VAL 44 HB VAL 44 -12.538 -13.947 -14.187 332 HG11 VAL 44 HG11 VAL 44 -10.838 -15.697 -13.955 333 HG12 VAL 44 HG12 VAL 44 -12.049 -16.919 -14.343 334 HG13 VAL 44 HG13 VAL 44 -12.204 -15.960 -12.871 335 HG21 VAL 44 HG21 VAL 44 -12.399 -15.719 -16.623 336 HG22 VAL 44 HG22 VAL 44 -11.143 -14.592 -16.108 337 HG23 VAL 44 HG23 VAL 44 -12.724 -13.986 -16.600 338 H VAL 45 H VAL 45 -15.640 -15.368 -16.695 339 HA VAL 45 HA VAL 45 -15.286 -18.260 -17.014 340 HB VAL 45 HB VAL 45 -17.177 -16.370 -18.436 341 HG11 VAL 45 HG11 VAL 45 -18.209 -18.385 -19.350 342 HG12 VAL 45 HG12 VAL 45 -16.979 -19.375 -18.561 343 HG13 VAL 45 HG13 VAL 45 -16.518 -18.253 -19.842 344 HG21 VAL 45 HG21 VAL 45 -18.929 -17.498 -17.149 345 HG22 VAL 45 HG22 VAL 45 -17.770 -16.687 -16.098 346 HG23 VAL 45 HG23 VAL 45 -17.699 -18.437 -16.303 347 H MET 46 H MET 46 -14.309 -19.112 -18.844 348 HA MET 46 HA MET 46 -12.592 -17.294 -20.296 349 HB2 MET 46 HB3 MET 46 -12.915 -20.286 -20.582 350 HB3 MET 46 HB2 MET 46 -11.655 -19.310 -21.320 351 HG2 MET 46 HG3 MET 46 -12.067 -19.764 -18.377 352 HG3 MET 46 HG2 MET 46 -10.811 -20.474 -19.388 353 HE1 MET 46 HE1 MET 46 -9.158 -19.700 -17.528 354 HE2 MET 46 HE2 MET 46 -10.381 -18.811 -16.611 355 HE3 MET 46 HE3 MET 46 -8.876 -18.017 -17.075 356 H ARG 47 H ARG 47 -12.869 -16.597 -22.336 357 HA ARG 47 HA ARG 47 -15.248 -17.603 -23.754 358 HB2 ARG 47 HB3 ARG 47 -13.925 -14.882 -23.963 359 HB3 ARG 47 HB2 ARG 47 -15.268 -15.421 -24.959 360 HG2 ARG 47 HG3 ARG 47 -16.274 -14.101 -23.345 361 HG3 ARG 47 HG2 ARG 47 -16.523 -15.739 -22.741 362 HD2 ARG 47 HD3 ARG 47 -15.843 -14.334 -20.918 363 HD3 ARG 47 HD2 ARG 47 -14.537 -15.456 -21.291 364 HE ARG 47 HE ARG 47 -14.047 -13.121 -22.724 365 HH11 ARG 47 HH11 ARG 47 -14.206 -14.171 -19.387 366 HH12 ARG 47 HH12 ARG 47 -13.173 -12.896 -18.800 367 HH21 ARG 47 HH21 ARG 47 -12.648 -11.470 -21.963 368 HH22 ARG 47 HH22 ARG 47 -12.276 -11.383 -20.267 369 H ASP 48 H ASP 48 -15.114 -17.680 -26.073 370 HA ASP 48 HA ASP 48 -12.759 -18.899 -27.039 371 HB2 ASP 48 HB3 ASP 48 -15.149 -19.150 -27.942 372 HB3 ASP 48 HB2 ASP 48 -14.875 -17.614 -28.748 373 HA PRO 49 HA PRO 49 -10.389 -15.268 -27.992 374 HB2 PRO 49 HB3 PRO 49 -8.676 -16.383 -29.795 375 HB3 PRO 49 HB2 PRO 49 -8.529 -16.599 -28.048 376 HG2 PRO 49 HG3 PRO 49 -9.730 -18.430 -30.088 377 HG3 PRO 49 HG2 PRO 49 -8.668 -18.820 -28.720 378 HD2 PRO 49 HD3 PRO 49 -11.334 -19.199 -28.621 379 HD3 PRO 49 HD2 PRO 49 -10.397 -18.717 -27.191 380 H ASN 50 H ASN 50 -12.297 -17.004 -30.248 381 HA ASN 50 HA ASN 50 -11.825 -14.982 -32.344 382 HB2 ASN 50 HB3 ASN 50 -13.292 -17.567 -32.802 383 HB3 ASN 50 HB2 ASN 50 -12.431 -16.565 -33.965 384 HD21 ASN 50 HD21 ASN 50 -12.151 -18.912 -31.422 385 HD22 ASN 50 HD22 ASN 50 -10.512 -19.401 -31.788 386 H THR 51 H THR 51 -14.426 -16.989 -30.947 387 HA THR 51 HA THR 51 -16.459 -15.284 -32.067 388 HB THR 51 HB THR 51 -18.062 -16.770 -31.155 389 HG1 THR 51 HG1 THR 51 -17.495 -18.290 -29.504 390 HG21 THR 51 HG21 THR 51 -15.586 -18.396 -31.762 391 HG22 THR 51 HG22 THR 51 -16.730 -17.771 -32.951 392 HG23 THR 51 HG23 THR 51 -17.246 -18.996 -31.792 393 H LYS 52 H LYS 52 -14.791 -15.584 -29.029 394 HA LYS 52 HA LYS 52 -14.802 -14.374 -27.111 395 HB2 LYS 52 HB3 LYS 52 -16.313 -12.377 -28.809 396 HB3 LYS 52 HB2 LYS 52 -15.675 -12.045 -27.204 397 HG2 LYS 52 HG3 LYS 52 -14.037 -12.807 -29.614 398 HG3 LYS 52 HG2 LYS 52 -14.227 -11.175 -28.970 399 HD2 LYS 52 HD3 LYS 52 -13.055 -13.511 -27.463 400 HD3 LYS 52 HD2 LYS 52 -12.119 -12.247 -28.258 401 HE2 LYS 52 HE3 LYS 52 -14.096 -11.829 -26.017 402 HE3 LYS 52 HE2 LYS 52 -12.342 -11.847 -25.846 403 HZ1 LYS 52 HZ1 LYS 52 -13.933 -9.887 -27.419 404 HZ2 LYS 52 HZ2 LYS 52 -12.240 -9.925 -27.342 405 HZ3 LYS 52 HZ3 LYS 52 -13.144 -9.594 -25.947 406 H ARG 53 H ARG 53 -16.978 -16.270 -27.727 407 HA ARG 53 HA ARG 53 -19.165 -15.078 -26.178 408 HB2 ARG 53 HB3 ARG 53 -19.028 -17.226 -28.194 409 HB3 ARG 53 HB2 ARG 53 -20.129 -17.518 -26.855 410 HG2 ARG 53 HG3 ARG 53 -21.297 -16.490 -28.703 411 HG3 ARG 53 HG2 ARG 53 -21.254 -15.394 -27.321 412 HD2 ARG 53 HD3 ARG 53 -19.299 -14.263 -28.373 413 HD3 ARG 53 HD2 ARG 53 -19.536 -15.281 -29.793 414 HE ARG 53 HE ARG 53 -21.971 -14.070 -29.313 415 HH11 ARG 53 HH11 ARG 53 -18.708 -13.026 -30.079 416 HH12 ARG 53 HH12 ARG 53 -19.235 -11.559 -30.845 417 HH21 ARG 53 HH21 ARG 53 -22.648 -12.159 -30.331 418 HH22 ARG 53 HH22 ARG 53 -21.467 -11.069 -30.987 419 H SER 54 H SER 54 -17.972 -18.446 -26.317 420 HA SER 54 HA SER 54 -17.415 -18.370 -23.476 421 HB2 SER 54 HB3 SER 54 -19.010 -20.369 -23.147 422 HB3 SER 54 HB2 SER 54 -19.729 -18.763 -23.266 423 HG SER 54 HG SER 54 -20.794 -19.461 -24.921 424 H ARG 55 H ARG 55 -16.546 -20.423 -22.676 425 HA ARG 55 HA ARG 55 -15.461 -22.123 -24.819 426 HB2 ARG 55 HB3 ARG 55 -14.131 -20.978 -22.396 427 HB3 ARG 55 HB2 ARG 55 -13.570 -22.502 -23.056 428 HG2 ARG 55 HG3 ARG 55 -13.244 -21.390 -25.239 429 HG3 ARG 55 HG2 ARG 55 -13.696 -19.862 -24.483 430 HD2 ARG 55 HD3 ARG 55 -11.287 -20.049 -24.596 431 HD3 ARG 55 HD2 ARG 55 -11.820 -20.100 -22.919 432 HE ARG 55 HE ARG 55 -11.644 -22.718 -23.609 433 HH11 ARG 55 HH11 ARG 55 -9.437 -20.001 -23.771 434 HH12 ARG 55 HH12 ARG 55 -8.017 -20.988 -23.590 435 HH21 ARG 55 HH21 ARG 55 -9.760 -24.020 -23.344 436 HH22 ARG 55 HH22 ARG 55 -8.192 -23.255 -23.354 437 H GLY 56 H GLY 56 -17.652 -22.090 -22.459 438 HA2 GLY 56 HA3 GLY 56 -18.915 -23.865 -21.681 439 HA3 GLY 56 HA2 GLY 56 -17.729 -24.965 -22.367 440 H PHE 57 H PHE 57 -16.390 -22.571 -20.333 441 HA PHE 57 HA PHE 57 -16.840 -23.862 -17.840 442 HB2 PHE 57 HB3 PHE 57 -14.705 -24.816 -17.401 443 HB3 PHE 57 HB2 PHE 57 -15.210 -25.440 -18.965 444 HD1 PHE 57 HD1 PHE 57 -12.676 -23.776 -17.140 445 HD2 PHE 57 HD2 PHE 57 -14.258 -24.305 -21.046 446 HE1 PHE 57 HE1 PHE 57 -10.554 -22.975 -18.100 447 HE2 PHE 57 HE2 PHE 57 -12.140 -23.510 -22.019 448 HZ PHE 57 HZ PHE 57 -10.285 -22.845 -20.544 449 H GLY 58 H GLY 58 -15.647 -22.830 -16.069 450 HA2 GLY 58 HA3 GLY 58 -14.238 -20.370 -16.635 451 HA3 GLY 58 HA2 GLY 58 -15.858 -20.131 -15.995 452 H PHE 59 H PHE 59 -14.357 -19.036 -14.344 453 HA PHE 59 HA PHE 59 -13.776 -20.991 -12.225 454 HB2 PHE 59 HB3 PHE 59 -12.062 -18.657 -13.077 455 HB3 PHE 59 HB2 PHE 59 -11.856 -19.502 -11.547 456 HD1 PHE 59 HD1 PHE 59 -11.016 -21.774 -11.485 457 HD2 PHE 59 HD2 PHE 59 -11.405 -19.667 -15.159 458 HE1 PHE 59 HE1 PHE 59 -9.555 -23.421 -12.581 459 HE2 PHE 59 HE2 PHE 59 -9.950 -21.314 -16.266 460 HZ PHE 59 HZ PHE 59 -9.022 -23.193 -14.974 461 H VAL 60 H VAL 60 -13.892 -20.172 -10.092 462 HA VAL 60 HA VAL 60 -15.199 -17.605 -9.655 463 HB VAL 60 HB VAL 60 -17.136 -18.900 -10.068 464 HG11 VAL 60 HG11 VAL 60 -16.102 -21.119 -9.921 465 HG12 VAL 60 HG12 VAL 60 -17.621 -21.020 -9.030 466 HG13 VAL 60 HG13 VAL 60 -16.086 -20.973 -8.163 467 HG21 VAL 60 HG21 VAL 60 -16.659 -18.761 -7.108 468 HG22 VAL 60 HG22 VAL 60 -18.232 -18.974 -7.879 469 HG23 VAL 60 HG23 VAL 60 -17.311 -17.491 -8.144 470 H THR 61 H THR 61 -14.103 -16.713 -8.038 471 HA THR 61 HA THR 61 -12.956 -18.480 -5.977 472 HB THR 61 HB THR 61 -12.198 -15.623 -6.627 473 HG1 THR 61 HG1 THR 61 -10.201 -16.883 -7.329 474 HG21 THR 61 HG21 THR 61 -10.187 -16.141 -5.280 475 HG22 THR 61 HG22 THR 61 -10.904 -17.697 -4.858 476 HG23 THR 61 HG23 THR 61 -11.677 -16.199 -4.335 477 H TYR 62 H TYR 62 -13.820 -18.420 -4.013 478 HA TYR 62 HA TYR 62 -15.856 -16.427 -3.449 479 HB2 TYR 62 HB3 TYR 62 -15.018 -18.994 -2.117 480 HB3 TYR 62 HB2 TYR 62 -16.113 -17.867 -1.323 481 HD1 TYR 62 HD1 TYR 62 -18.384 -17.685 -1.982 482 HD2 TYR 62 HD2 TYR 62 -15.716 -20.096 -4.255 483 HE1 TYR 62 HE1 TYR 62 -20.293 -18.652 -3.185 484 HE2 TYR 62 HE2 TYR 62 -17.624 -21.069 -5.467 485 HH TYR 62 HH TYR 62 -20.806 -19.773 -5.212 486 H ALA 63 H ALA 63 -15.902 -15.787 -0.976 487 HA ALA 63 HA ALA 63 -13.634 -14.065 -0.649 488 HB1 ALA 63 HB1 ALA 63 -15.921 -13.357 -0.080 489 HB2 ALA 63 HB2 ALA 63 -14.816 -13.196 1.286 490 HB3 ALA 63 HB3 ALA 63 -15.951 -14.546 1.224 491 H THR 64 H THR 64 -14.577 -17.137 0.520 492 HA THR 64 HA THR 64 -12.013 -17.514 1.729 493 HB THR 64 HB THR 64 -13.003 -16.543 3.670 494 HG1 THR 64 HG1 THR 64 -12.600 -18.175 5.042 495 HG21 THR 64 HG21 THR 64 -15.116 -17.300 4.632 496 HG22 THR 64 HG22 THR 64 -15.330 -18.425 3.292 497 HG23 THR 64 HG23 THR 64 -15.350 -16.686 2.994 498 H VAL 65 H VAL 65 -11.782 -19.759 2.518 499 HA VAL 65 HA VAL 65 -12.469 -21.527 0.467 500 HB VAL 65 HB VAL 65 -10.453 -21.857 1.699 501 HG11 VAL 65 HG11 VAL 65 -10.425 -22.503 4.063 502 HG12 VAL 65 HG12 VAL 65 -12.174 -22.278 4.135 503 HG13 VAL 65 HG13 VAL 65 -11.119 -20.900 3.817 504 HG21 VAL 65 HG21 VAL 65 -12.365 -24.104 2.315 505 HG22 VAL 65 HG22 VAL 65 -10.604 -24.218 2.334 506 HG23 VAL 65 HG23 VAL 65 -11.451 -23.889 0.822 507 H GLU 66 H GLU 66 -14.049 -20.902 3.551 508 HA GLU 66 HA GLU 66 -15.526 -23.335 3.605 509 HB2 GLU 66 HB3 GLU 66 -16.846 -22.281 5.389 510 HB3 GLU 66 HB2 GLU 66 -15.117 -22.125 5.660 511 HG2 GLU 66 HG3 GLU 66 -15.144 -19.839 5.008 512 HG3 GLU 66 HG2 GLU 66 -16.812 -19.963 4.448 513 H GLU 67 H GLU 67 -15.926 -20.444 1.829 514 HA GLU 67 HA GLU 67 -18.761 -20.830 1.397 515 HB2 GLU 67 HB3 GLU 67 -16.870 -19.080 -0.172 516 HB3 GLU 67 HB2 GLU 67 -18.625 -18.974 -0.126 517 HG2 GLU 67 HG3 GLU 67 -18.347 -18.528 2.370 518 HG3 GLU 67 HG2 GLU 67 -16.649 -18.251 1.994 519 H VAL 68 H VAL 68 -15.732 -21.409 -0.303 520 HA VAL 68 HA VAL 68 -16.719 -22.613 -2.624 521 HB VAL 68 HB VAL 68 -14.197 -23.018 -1.029 522 HG11 VAL 68 HG11 VAL 68 -15.040 -24.564 -3.477 523 HG12 VAL 68 HG12 VAL 68 -14.598 -25.212 -1.899 524 HG13 VAL 68 HG13 VAL 68 -13.373 -24.451 -2.915 525 HG21 VAL 68 HG21 VAL 68 -14.731 -21.988 -3.810 526 HG22 VAL 68 HG22 VAL 68 -13.158 -22.053 -3.014 527 HG23 VAL 68 HG23 VAL 68 -14.424 -20.997 -2.383 528 H ASP 69 H ASP 69 -16.036 -23.920 0.570 529 HA ASP 69 HA ASP 69 -16.672 -26.593 0.130 530 HB2 ASP 69 HB3 ASP 69 -15.621 -25.587 2.194 531 HB3 ASP 69 HB2 ASP 69 -17.224 -25.031 2.664 532 H ALA 70 H ALA 70 -18.740 -23.839 0.941 533 HA ALA 70 HA ALA 70 -21.119 -25.321 1.323 534 HB1 ALA 70 HB1 ALA 70 -20.798 -22.424 0.541 535 HB2 ALA 70 HB2 ALA 70 -20.820 -23.049 2.190 536 HB3 ALA 70 HB3 ALA 70 -22.260 -23.174 1.180 537 H ALA 71 H ALA 71 -19.680 -23.732 -1.497 538 HA ALA 71 HA ALA 71 -21.847 -24.200 -3.260 539 HB1 ALA 71 HB1 ALA 71 -20.264 -23.725 -5.050 540 HB2 ALA 71 HB2 ALA 71 -18.919 -23.877 -3.919 541 HB3 ALA 71 HB3 ALA 71 -20.082 -22.561 -3.736 542 H MET 72 H MET 72 -19.048 -26.103 -2.300 543 HA MET 72 HA MET 72 -19.425 -28.197 -4.172 544 HB2 MET 72 HB3 MET 72 -18.085 -28.210 -1.466 545 HB3 MET 72 HB2 MET 72 -18.043 -29.551 -2.596 546 HG2 MET 72 HG3 MET 72 -17.013 -27.900 -4.253 547 HG3 MET 72 HG2 MET 72 -16.784 -26.852 -2.857 548 HE1 MET 72 HE1 MET 72 -14.165 -27.060 -3.895 549 HE2 MET 72 HE2 MET 72 -14.665 -28.348 -4.990 550 HE3 MET 72 HE3 MET 72 -13.298 -28.595 -3.905 551 H ASN 73 H ASN 73 -20.666 -27.623 -0.908 552 HA ASN 73 HA ASN 73 -22.023 -30.116 -0.681 553 HB2 ASN 73 HB3 ASN 73 -22.342 -27.474 0.733 554 HB3 ASN 73 HB2 ASN 73 -23.441 -28.812 1.040 555 HD21 ASN 73 HD21 ASN 73 -20.268 -27.548 1.507 556 HD22 ASN 73 HD22 ASN 73 -19.725 -28.752 2.619 557 H ALA 74 H ALA 74 -22.611 -27.336 -2.517 558 HA ALA 74 HA ALA 74 -25.491 -27.663 -2.633 559 HB1 ALA 74 HB1 ALA 74 -23.677 -25.742 -4.085 560 HB2 ALA 74 HB2 ALA 74 -24.551 -25.413 -2.586 561 HB3 ALA 74 HB3 ALA 74 -25.440 -25.699 -4.085 562 H ARG 75 H ARG 75 -23.123 -29.400 -3.923 563 HA ARG 75 HA ARG 75 -23.841 -29.521 -6.678 564 HB2 ARG 75 HB3 ARG 75 -22.381 -31.479 -4.898 565 HB3 ARG 75 HB2 ARG 75 -22.602 -31.713 -6.626 566 HG2 ARG 75 HG3 ARG 75 -21.346 -29.676 -7.077 567 HG3 ARG 75 HG2 ARG 75 -21.145 -29.411 -5.343 568 HD2 ARG 75 HD3 ARG 75 -20.121 -31.787 -6.895 569 HD3 ARG 75 HD2 ARG 75 -19.149 -30.422 -6.344 570 HE ARG 75 HE ARG 75 -20.372 -31.414 -4.085 571 HH11 ARG 75 HH11 ARG 75 -18.199 -32.674 -6.524 572 HH12 ARG 75 HH12 ARG 75 -17.439 -33.802 -5.452 573 HH21 ARG 75 HH21 ARG 75 -19.394 -32.908 -2.669 574 HH22 ARG 75 HH22 ARG 75 -18.119 -33.944 -3.256 575 HA PRO 76 HA PRO 76 -24.043 -31.074 -8.362 576 HB2 PRO 76 HB3 PRO 76 -26.621 -31.122 -9.746 577 HB3 PRO 76 HB2 PRO 76 -25.203 -32.144 -9.994 578 HG2 PRO 76 HG3 PRO 76 -27.488 -33.086 -8.909 579 HG3 PRO 76 HG2 PRO 76 -25.891 -33.702 -8.446 580 HD2 PRO 76 HD3 PRO 76 -27.652 -31.740 -7.020 581 HD3 PRO 76 HD2 PRO 76 -26.694 -33.081 -6.359 582 H HIS 77 H HIS 77 -23.498 -29.081 -8.898 583 HA HIS 77 HA HIS 77 -25.030 -26.854 -8.011 584 HB2 HIS 77 HB3 HIS 77 -22.436 -27.110 -8.333 585 HB3 HIS 77 HB2 HIS 77 -22.781 -26.558 -9.970 586 HD2 HIS 77 HD2 HIS 77 -22.114 -25.145 -6.541 587 HE1 HIS 77 HE1 HIS 77 -23.932 -22.055 -8.796 588 HE2 HIS 77 HE2 HIS 77 -22.511 -22.594 -6.763 589 H LYS 78 H LYS 78 -25.653 -25.040 -9.408 590 HA LYS 78 HA LYS 78 -26.509 -25.807 -12.084 591 HB2 LYS 78 HB3 LYS 78 -28.369 -26.473 -10.635 592 HB3 LYS 78 HB2 LYS 78 -28.403 -24.870 -9.914 593 HG2 LYS 78 HG3 LYS 78 -30.187 -25.067 -11.505 594 HG3 LYS 78 HG2 LYS 78 -28.989 -23.926 -12.116 595 HD2 LYS 78 HD3 LYS 78 -29.645 -25.320 -13.935 596 HD3 LYS 78 HD2 LYS 78 -28.015 -25.803 -13.460 597 HE2 LYS 78 HE3 LYS 78 -29.352 -27.768 -13.870 598 HE3 LYS 78 HE2 LYS 78 -28.982 -27.656 -12.150 599 HZ1 LYS 78 HZ1 LYS 78 -31.167 -26.870 -11.699 600 HZ2 LYS 78 HZ2 LYS 78 -31.323 -28.255 -12.671 601 HZ3 LYS 78 HZ3 LYS 78 -31.527 -26.712 -13.351 602 H VAL 79 H VAL 79 -25.685 -24.232 -13.277 603 HA VAL 79 HA VAL 79 -26.235 -21.463 -12.481 604 HB VAL 79 HB VAL 79 -23.963 -21.532 -11.962 605 HG11 VAL 79 HG11 VAL 79 -23.452 -23.743 -12.737 606 HG12 VAL 79 HG12 VAL 79 -22.251 -22.612 -13.368 607 HG13 VAL 79 HG13 VAL 79 -23.534 -23.212 -14.419 608 HG21 VAL 79 HG21 VAL 79 -22.786 -20.274 -13.709 609 HG22 VAL 79 HG22 VAL 79 -24.427 -19.676 -13.469 610 HG23 VAL 79 HG23 VAL 79 -24.054 -20.692 -14.861 611 H ASP 80 H ASP 80 -27.205 -20.328 -13.991 612 HA ASP 80 HA ASP 80 -28.008 -19.583 -15.983 613 HB2 ASP 80 HB3 ASP 80 -25.634 -19.786 -16.760 614 HB3 ASP 80 HB2 ASP 80 -25.993 -21.419 -17.304 615 H GLY 81 H GLY 81 -28.250 -22.657 -14.880 616 HA2 GLY 81 HA3 GLY 81 -30.250 -23.955 -15.269 617 HA3 GLY 81 HA2 GLY 81 -30.224 -23.398 -16.939 618 H ARG 82 H ARG 82 -27.145 -24.061 -15.891 619 HA ARG 82 HA ARG 82 -27.205 -26.728 -17.129 620 HB2 ARG 82 HB3 ARG 82 -25.901 -25.210 -18.451 621 HB3 ARG 82 HB2 ARG 82 -25.055 -24.607 -17.034 622 HG2 ARG 82 HG3 ARG 82 -23.618 -26.055 -18.317 623 HG3 ARG 82 HG2 ARG 82 -23.983 -26.790 -16.756 624 HD2 ARG 82 HD3 ARG 82 -24.102 -28.468 -18.467 625 HD3 ARG 82 HD2 ARG 82 -25.722 -28.154 -17.848 626 HE ARG 82 HE ARG 82 -25.768 -26.578 -19.949 627 HH11 ARG 82 HH11 ARG 82 -24.396 -29.778 -19.652 628 HH12 ARG 82 HH12 ARG 82 -24.674 -30.198 -21.313 629 HH21 ARG 82 HH21 ARG 82 -26.117 -27.110 -22.154 630 HH22 ARG 82 HH22 ARG 82 -25.670 -28.691 -22.731 631 H VAL 83 H VAL 83 -26.601 -28.427 -15.939 632 HA VAL 83 HA VAL 83 -25.659 -28.090 -13.234 633 HB VAL 83 HB VAL 83 -25.850 -30.612 -14.898 634 HG11 VAL 83 HG11 VAL 83 -24.321 -30.844 -13.011 635 HG12 VAL 83 HG12 VAL 83 -25.788 -31.790 -12.756 636 HG13 VAL 83 HG13 VAL 83 -25.571 -30.254 -11.915 637 HG21 VAL 83 HG21 VAL 83 -27.795 -29.453 -12.907 638 HG22 VAL 83 HG22 VAL 83 -27.943 -31.026 -13.691 639 HG23 VAL 83 HG23 VAL 83 -28.024 -29.550 -14.653 640 H VAL 84 H VAL 84 -23.608 -27.805 -12.681 641 HA VAL 84 HA VAL 84 -21.528 -28.465 -14.664 642 HB VAL 84 HB VAL 84 -20.213 -26.600 -13.748 643 HG11 VAL 84 HG11 VAL 84 -22.979 -25.832 -14.664 644 HG12 VAL 84 HG12 VAL 84 -21.607 -26.229 -15.699 645 HG13 VAL 84 HG13 VAL 84 -21.561 -24.783 -14.690 646 HG21 VAL 84 HG21 VAL 84 -21.272 -24.969 -12.253 647 HG22 VAL 84 HG22 VAL 84 -21.129 -26.552 -11.491 648 HG23 VAL 84 HG23 VAL 84 -22.686 -26.014 -12.120 649 H GLU 85 H GLU 85 -19.289 -28.505 -13.528 650 HA GLU 85 HA GLU 85 -19.528 -29.938 -10.972 651 HB2 GLU 85 HB3 GLU 85 -18.978 -31.499 -12.799 652 HB3 GLU 85 HB2 GLU 85 -17.573 -30.522 -13.207 653 HG2 GLU 85 HG3 GLU 85 -16.560 -31.016 -11.073 654 HG3 GLU 85 HG2 GLU 85 -17.995 -31.908 -10.569 655 HA PRO 86 HA PRO 86 -16.689 -26.594 -10.061 656 HB2 PRO 86 HB3 PRO 86 -17.589 -26.289 -7.490 657 HB3 PRO 86 HB2 PRO 86 -18.332 -25.538 -8.902 658 HG2 PRO 86 HG3 PRO 86 -19.379 -27.632 -7.207 659 HG3 PRO 86 HG2 PRO 86 -20.187 -26.764 -8.519 660 HD2 PRO 86 HD3 PRO 86 -18.941 -29.418 -8.534 661 HD3 PRO 86 HD2 PRO 86 -20.068 -28.698 -9.702 662 H LYS 87 H LYS 87 -14.696 -27.461 -9.922 663 HA LYS 87 HA LYS 87 -14.078 -29.159 -7.589 664 HB2 LYS 87 HB3 LYS 87 -12.618 -28.963 -10.235 665 HB3 LYS 87 HB2 LYS 87 -12.184 -30.023 -8.901 666 HG2 LYS 87 HG3 LYS 87 -14.330 -31.191 -9.150 667 HG3 LYS 87 HG2 LYS 87 -14.724 -30.147 -10.516 668 HD2 LYS 87 HD3 LYS 87 -12.362 -32.020 -10.362 669 HD3 LYS 87 HD2 LYS 87 -13.860 -32.331 -11.239 670 HE2 LYS 87 HE3 LYS 87 -13.422 -30.337 -12.626 671 HE3 LYS 87 HE2 LYS 87 -11.890 -30.113 -11.781 672 HZ1 LYS 87 HZ1 LYS 87 -12.649 -32.462 -13.435 673 HZ2 LYS 87 HZ2 LYS 87 -11.197 -32.304 -12.581 674 HZ3 LYS 87 HZ3 LYS 87 -11.540 -31.253 -13.865 675 H ARG 88 H ARG 88 -11.933 -28.860 -6.627 676 HA ARG 88 HA ARG 88 -11.311 -26.163 -6.085 677 HB2 ARG 88 HB3 ARG 88 -10.592 -28.637 -5.039 678 HB3 ARG 88 HB2 ARG 88 -9.081 -27.994 -5.666 679 HG2 ARG 88 HG3 ARG 88 -9.323 -27.401 -3.348 680 HG3 ARG 88 HG2 ARG 88 -9.439 -25.945 -4.341 681 HD2 ARG 88 HD3 ARG 88 -11.751 -25.792 -4.054 682 HD3 ARG 88 HD2 ARG 88 -11.881 -27.462 -3.513 683 HE ARG 88 HE ARG 88 -10.883 -25.205 -1.919 684 HH11 ARG 88 HH11 ARG 88 -11.846 -28.562 -2.159 685 HH12 ARG 88 HH12 ARG 88 -12.172 -28.731 -0.457 686 HH21 ARG 88 HH21 ARG 88 -11.326 -25.429 0.337 687 HH22 ARG 88 HH22 ARG 88 -11.914 -26.945 0.949 688 H ALA 89 H ALA 89 -9.998 -24.742 -7.082 689 HA ALA 89 HA ALA 89 -9.001 -25.301 -9.664 690 HB1 ALA 89 HB1 ALA 89 -8.057 -23.063 -9.595 691 HB2 ALA 89 HB2 ALA 89 -8.344 -22.981 -7.857 692 HB3 ALA 89 HB3 ALA 89 -9.707 -23.064 -8.973 693 H VAL 90 H VAL 90 -7.231 -26.305 -10.230 694 HA VAL 90 HA VAL 90 -5.104 -26.840 -8.349 695 HB VAL 90 HB VAL 90 -5.973 -28.480 -10.095 696 HG11 VAL 90 HG11 VAL 90 -4.336 -26.766 -11.952 697 HG12 VAL 90 HG12 VAL 90 -6.087 -26.975 -11.989 698 HG13 VAL 90 HG13 VAL 90 -5.028 -28.341 -12.343 699 HG21 VAL 90 HG21 VAL 90 -3.890 -28.847 -8.864 700 HG22 VAL 90 HG22 VAL 90 -3.005 -27.963 -10.108 701 HG23 VAL 90 HG23 VAL 90 -3.808 -29.482 -10.507 702 H SER 91 H SER 91 -2.763 -26.419 -9.174 703 HA SER 91 HA SER 91 -2.458 -23.659 -9.764 704 HB2 SER 91 HB3 SER 91 -0.276 -25.703 -10.146 705 HB3 SER 91 HB2 SER 91 -0.149 -24.047 -9.552 706 HG SER 91 HG SER 91 -0.191 -26.130 -8.078 707 H ARG 92 H ARG 92 -2.026 -22.654 -11.755 708 HA ARG 92 HA ARG 92 -2.573 -24.158 -14.128 709 HB2 ARG 92 HB3 ARG 92 -2.037 -22.091 -15.359 710 HB3 ARG 92 HB2 ARG 92 -3.196 -21.823 -14.067 711 HG2 ARG 92 HG3 ARG 92 -1.559 -20.781 -12.704 712 HG3 ARG 92 HG2 ARG 92 -0.258 -21.257 -13.798 713 HD2 ARG 92 HD3 ARG 92 -2.531 -19.413 -14.516 714 HD3 ARG 92 HD2 ARG 92 -0.926 -18.880 -14.019 715 HE ARG 92 HE ARG 92 -1.472 -20.436 -16.479 716 HH11 ARG 92 HH11 ARG 92 0.386 -18.102 -14.650 717 HH12 ARG 92 HH12 ARG 92 1.343 -17.592 -16.010 718 HH21 ARG 92 HH21 ARG 92 -0.193 -19.804 -18.284 719 HH22 ARG 92 HH22 ARG 92 1.017 -18.575 -18.076 720 H GLU 93 H GLU 93 0.276 -23.315 -12.367 721 HA GLU 93 HA GLU 93 2.141 -24.068 -14.409 722 HB2 GLU 93 HB3 GLU 93 2.287 -23.499 -11.485 723 HB3 GLU 93 HB2 GLU 93 3.590 -24.432 -12.200 724 HG2 GLU 93 HG3 GLU 93 4.194 -22.110 -12.126 725 HG3 GLU 93 HG2 GLU 93 3.995 -22.618 -13.800 726 H ASP 94 H ASP 94 0.089 -25.754 -12.266 727 HA ASP 94 HA ASP 94 1.578 -28.178 -12.013 728 HB2 ASP 94 HB3 ASP 94 -0.428 -27.390 -10.605 729 HB3 ASP 94 HB2 ASP 94 -1.425 -27.986 -11.911 730 H SER 95 H SER 95 -1.070 -27.081 -14.068 731 HA SER 95 HA SER 95 -1.055 -29.504 -15.568 732 HB2 SER 95 HB3 SER 95 -2.722 -28.263 -17.021 733 HB3 SER 95 HB2 SER 95 -3.176 -28.422 -15.324 734 HG SER 95 HG SER 95 -3.452 -26.281 -16.249 735 H GLN 96 H GLN 96 0.222 -26.292 -15.850 736 HA GLN 96 HA GLN 96 1.761 -25.326 -17.182 737 HB2 GLN 96 HB3 GLN 96 3.001 -27.427 -16.435 738 HB3 GLN 96 HB2 GLN 96 2.617 -28.093 -18.016 739 HG2 GLN 96 HG3 GLN 96 4.868 -27.136 -17.939 740 HG3 GLN 96 HG2 GLN 96 3.834 -26.307 -19.104 741 HE21 GLN 96 HE21 GLN 96 3.190 -24.204 -18.707 742 HE22 GLN 96 HE22 GLN 96 3.905 -23.219 -17.476 743 H ARG 97 H ARG 97 -0.643 -25.283 -18.274 744 HA ARG 97 HA ARG 97 -0.005 -25.532 -21.125 745 HB2 ARG 97 HB3 ARG 97 -2.358 -26.001 -21.630 746 HB3 ARG 97 HB2 ARG 97 -1.673 -27.246 -20.598 747 HG2 ARG 97 HG3 ARG 97 -2.798 -26.349 -18.677 748 HG3 ARG 97 HG2 ARG 97 -3.370 -24.965 -19.611 749 HD2 ARG 97 HD3 ARG 97 -5.165 -26.541 -19.395 750 HD3 ARG 97 HD2 ARG 97 -4.620 -26.529 -21.069 751 HE ARG 97 HE ARG 97 -3.287 -28.568 -19.628 752 HH11 ARG 97 HH11 ARG 97 -6.378 -27.778 -21.085 753 HH12 ARG 97 HH12 ARG 97 -6.864 -29.439 -21.258 754 HH21 ARG 97 HH21 ARG 97 -3.929 -30.745 -19.829 755 HH22 ARG 97 HH22 ARG 97 -5.484 -31.133 -20.508 756 H5' U 1 H5' U 1 -16.488 -28.675 -20.079 757 H5'' U 1 H5'' U 1 -17.691 -29.881 -20.563 758 H4' U 1 H4' U 1 -15.625 -29.682 -22.540 759 H3' U 1 H3' U 1 -15.896 -27.163 -21.490 760 H2' U 1 H2' U 1 -18.174 -26.774 -22.084 761 HO2' U 1 HO2' U 1 -16.488 -25.725 -23.732 762 H1' U 1 H1' U 1 -17.788 -28.460 -24.616 763 H3 U 1 H3 U 1 -22.058 -29.440 -25.453 764 H5 U 1 H5 U 1 -22.270 -27.230 -21.890 765 H6 U 1 H6 U 1 -19.862 -27.241 -21.831 766 HO5' U 1 HO5' U 1 -16.179 -31.425 -20.601 767 H5' U 2 H5' U 2 -14.547 -28.466 -20.518 768 H5'' U 2 H5'' U 2 -14.959 -26.762 -20.240 769 H4' U 2 H4' U 2 -12.776 -26.438 -19.155 770 H3' U 2 H3' U 2 -11.796 -28.690 -20.252 771 H2' U 2 H2' U 2 -13.190 -30.262 -19.080 772 HO2' U 2 HO2' U 2 -11.903 -31.164 -17.519 773 H1' U 2 H1' U 2 -12.897 -28.572 -16.535 774 H3 U 2 H3 U 2 -15.692 -31.161 -14.227 775 H5 U 2 H5 U 2 -17.412 -31.152 -18.056 776 H6 U 2 H6 U 2 -15.552 -29.821 -18.805 777 H5' A 3 H5' A 3 -10.184 -25.507 -18.474 778 H5'' A 3 H5'' A 3 -9.366 -25.192 -20.017 779 H4' A 3 H4' A 3 -8.545 -23.514 -18.688 780 H3' A 3 H3' A 3 -6.645 -25.162 -19.527 781 H2' A 3 H2' A 3 -6.636 -26.709 -17.683 782 HO2' A 3 HO2' A 3 -4.899 -24.542 -17.071 783 H1' A 3 H1' A 3 -6.860 -24.417 -15.677 784 H8 A 3 H8 A 3 -7.870 -27.991 -16.676 785 H61 A 3 H61 A 3 -9.086 -29.534 -12.215 786 H62 A 3 H62 A 3 -9.244 -28.719 -10.674 787 H2 A 3 H2 A 3 -8.207 -24.416 -11.360 788 H5' G 4 H5' G 4 -7.878 -22.277 -18.836 789 H5'' G 4 H5'' G 4 -8.422 -21.084 -20.031 790 H4' G 4 H4' G 4 -7.525 -19.384 -18.946 791 H3' G 4 H3' G 4 -5.044 -20.746 -19.123 792 H2' G 4 H2' G 4 -5.044 -21.431 -16.819 793 HO2' G 4 HO2' G 4 -4.144 -18.817 -17.124 794 H1' G 4 H1' G 4 -6.784 -18.916 -16.381 795 H8 G 4 H8 G 4 -8.013 -18.852 -14.156 796 H1 G 4 H1 G 4 -5.421 -24.423 -12.339 797 H21 G 4 H21 G 4 -4.237 -24.597 -15.583 798 H22 G 4 H22 G 4 -4.330 -25.342 -14.003 799 H5' G 5 H5' G 5 -5.004 -15.358 -18.458 800 H5'' G 5 H5'' G 5 -5.730 -16.895 -17.945 801 H4' G 5 H4' G 5 -7.529 -15.273 -19.549 802 H3' G 5 H3' G 5 -6.320 -13.957 -17.144 803 H2' G 5 H2' G 5 -8.475 -13.313 -16.376 804 HO2' G 5 HO2' G 5 -10.078 -12.924 -17.737 805 H1' G 5 H1' G 5 -9.823 -15.676 -17.027 806 H8 G 5 H8 G 5 -8.100 -17.781 -15.515 807 H1 G 5 H1 G 5 -7.996 -12.897 -11.362 808 H21 G 5 H21 G 5 -8.823 -10.962 -14.124 809 H22 G 5 H22 G 5 -8.469 -11.010 -12.412 810 H5' U 6 H5' U 6 -5.488 -13.366 -16.584 811 H5'' U 6 H5'' U 6 -5.147 -11.900 -15.642 812 H4' U 6 H4' U 6 -2.839 -11.938 -16.406 813 H3' U 6 H3' U 6 -3.534 -13.556 -18.488 814 H2' U 6 H2' U 6 -3.797 -15.602 -17.323 815 HO2' U 6 HO2' U 6 -0.980 -15.590 -17.124 816 H1' U 6 H1' U 6 -1.588 -14.851 -15.345 817 H3 U 6 H3 U 6 -2.663 -17.829 -12.215 818 H5 U 6 H5 U 6 -6.106 -17.744 -14.622 819 H6 U 6 H6 U 6 -5.048 -16.033 -15.939 820 H5' C 7 H5' C 7 0.709 -10.869 -15.558 821 H5'' C 7 H5'' C 7 -0.671 -10.359 -14.566 822 H4' C 7 H4' C 7 0.152 -8.503 -15.847 823 H3' C 7 H3' C 7 -2.590 -9.488 -16.526 824 HO3' C 7 HO3' C 7 -2.190 -8.340 -14.658 825 H2' C 7 H2' C 7 -2.752 -7.932 -18.334 826 HO2' C 7 HO2' C 7 -1.700 -6.081 -18.285 827 H1' C 7 H1' C 7 -0.160 -8.274 -19.316 828 H41 C 7 H41 C 7 -4.066 -13.134 -21.531 829 H42 C 7 H42 C 7 -2.770 -12.940 -22.691 830 H5 C 7 H5 C 7 -4.179 -11.866 -19.467 831 H6 C 7 H6 C 7 -3.082 -10.165 -18.109 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -17.158 -5.371 6.503 2 H2 ALA 1 H2 ALA 1 -18.040 -6.739 6.049 3 H3 ALA 1 H3 ALA 1 -17.109 -5.917 4.898 4 HA ALA 1 HA ALA 1 -16.026 -7.942 5.582 5 HB1 ALA 1 HB1 ALA 1 -14.672 -6.013 4.922 6 HB2 ALA 1 HB2 ALA 1 -13.861 -6.992 6.145 7 HB3 ALA 1 HB3 ALA 1 -14.631 -5.471 6.600 8 H SER 2 H SER 2 -15.962 -9.436 7.089 9 HA SER 2 HA SER 2 -16.415 -8.643 9.887 10 HB2 SER 2 HB3 SER 2 -16.728 -11.359 8.579 11 HB3 SER 2 HB2 SER 2 -17.146 -10.957 10.245 12 HG SER 2 HG SER 2 -18.348 -10.003 7.854 13 H LYS 3 H LYS 3 -14.376 -10.658 7.815 14 HA LYS 3 HA LYS 3 -12.445 -10.915 10.019 15 HB2 LYS 3 HB3 LYS 3 -12.429 -12.294 7.325 16 HB3 LYS 3 HB2 LYS 3 -11.398 -12.661 8.700 17 HG2 LYS 3 HG3 LYS 3 -14.385 -13.013 8.643 18 HG3 LYS 3 HG2 LYS 3 -13.203 -14.295 8.377 19 HD2 LYS 3 HD3 LYS 3 -12.307 -13.932 10.626 20 HD3 LYS 3 HD2 LYS 3 -13.492 -12.650 10.890 21 HE2 LYS 3 HE3 LYS 3 -14.175 -14.789 11.901 22 HE3 LYS 3 HE2 LYS 3 -15.308 -14.232 10.669 23 HZ1 LYS 3 HZ1 LYS 3 -14.347 -15.769 9.103 24 HZ2 LYS 3 HZ2 LYS 3 -14.828 -16.613 10.491 25 HZ3 LYS 3 HZ3 LYS 3 -13.188 -16.268 10.233 26 H SER 4 H SER 4 -12.233 -10.673 6.519 27 HA SER 4 HA SER 4 -10.965 -8.130 6.466 28 HB2 SER 4 HB3 SER 4 -9.231 -10.561 5.907 29 HB3 SER 4 HB2 SER 4 -8.790 -8.905 5.501 30 HG SER 4 HG SER 4 -9.535 -9.087 8.093 31 H GLU 5 H GLU 5 -11.496 -11.238 4.903 32 HA GLU 5 HA GLU 5 -12.242 -11.869 2.874 33 HB2 GLU 5 HB3 GLU 5 -13.556 -9.173 3.136 34 HB3 GLU 5 HB2 GLU 5 -13.805 -10.181 1.718 35 HG2 GLU 5 HG3 GLU 5 -15.624 -10.636 3.105 36 HG3 GLU 5 HG2 GLU 5 -14.540 -12.006 3.318 37 H SER 6 H SER 6 -9.676 -10.721 3.078 38 HA SER 6 HA SER 6 -9.321 -9.023 0.739 39 HB2 SER 6 HB3 SER 6 -6.968 -8.874 1.559 40 HB3 SER 6 HB2 SER 6 -8.149 -8.379 2.771 41 HG SER 6 HG SER 6 -7.906 -10.852 3.295 42 HA PRO 7 HA PRO 7 -7.616 -12.335 -1.744 43 HB2 PRO 7 HB3 PRO 7 -5.656 -10.588 -2.966 44 HB3 PRO 7 HB2 PRO 7 -7.167 -11.194 -3.648 45 HG2 PRO 7 HG3 PRO 7 -6.741 -8.572 -3.025 46 HG3 PRO 7 HG2 PRO 7 -8.343 -9.331 -3.025 47 HD2 PRO 7 HD3 PRO 7 -6.522 -8.746 -0.716 48 HD3 PRO 7 HD2 PRO 7 -8.284 -8.538 -0.843 49 H LYS 8 H LYS 8 -6.320 -11.645 0.912 50 HA LYS 8 HA LYS 8 -3.501 -11.947 0.608 51 HB2 LYS 8 HB3 LYS 8 -4.800 -10.942 2.577 52 HB3 LYS 8 HB2 LYS 8 -5.072 -12.605 3.082 53 HG2 LYS 8 HG3 LYS 8 -2.627 -12.948 3.130 54 HG3 LYS 8 HG2 LYS 8 -2.414 -11.241 2.740 55 HD2 LYS 8 HD3 LYS 8 -3.717 -12.402 5.188 56 HD3 LYS 8 HD2 LYS 8 -2.187 -11.529 5.108 57 HE2 LYS 8 HE3 LYS 8 -4.911 -10.390 4.487 58 HE3 LYS 8 HE2 LYS 8 -3.994 -10.116 5.968 59 HZ1 LYS 8 HZ1 LYS 8 -3.188 -9.282 3.231 60 HZ2 LYS 8 HZ2 LYS 8 -2.259 -9.058 4.633 61 HZ3 LYS 8 HZ3 LYS 8 -3.749 -8.263 4.464 62 H GLU 9 H GLU 9 -6.051 -14.105 1.814 63 HA GLU 9 HA GLU 9 -4.532 -16.430 1.999 64 HB2 GLU 9 HB3 GLU 9 -7.472 -16.233 1.310 65 HB3 GLU 9 HB2 GLU 9 -6.652 -17.647 1.953 66 HG2 GLU 9 HG3 GLU 9 -7.639 -16.820 3.837 67 HG3 GLU 9 HG2 GLU 9 -6.059 -16.045 3.929 68 HA PRO 10 HA PRO 10 -3.491 -17.882 -2.003 69 HB2 PRO 10 HB3 PRO 10 -4.845 -20.417 -1.196 70 HB3 PRO 10 HB2 PRO 10 -3.232 -20.171 -1.874 71 HG2 PRO 10 HG3 PRO 10 -3.535 -20.670 0.713 72 HG3 PRO 10 HG2 PRO 10 -2.340 -19.485 0.155 73 HD2 PRO 10 HD3 PRO 10 -4.993 -19.040 1.437 74 HD3 PRO 10 HD2 PRO 10 -3.495 -18.100 1.584 75 H GLU 11 H GLU 11 -4.578 -17.102 -3.685 76 HA GLU 11 HA GLU 11 -7.371 -17.164 -4.007 77 HB2 GLU 11 HB3 GLU 11 -5.843 -15.567 -5.153 78 HB3 GLU 11 HB2 GLU 11 -5.265 -16.886 -6.163 79 HG2 GLU 11 HG3 GLU 11 -7.467 -17.165 -7.122 80 HG3 GLU 11 HG2 GLU 11 -8.113 -15.922 -6.052 81 H GLN 12 H GLN 12 -4.825 -19.351 -5.062 82 HA GLN 12 HA GLN 12 -6.269 -20.960 -6.824 83 HB2 GLN 12 HB3 GLN 12 -4.016 -21.462 -6.795 84 HB3 GLN 12 HB2 GLN 12 -3.912 -21.386 -5.042 85 HG2 GLN 12 HG3 GLN 12 -4.964 -23.527 -4.826 86 HG3 GLN 12 HG2 GLN 12 -5.282 -23.594 -6.555 87 HE21 GLN 12 HE21 GLN 12 -4.155 -25.501 -6.811 88 HE22 GLN 12 HE22 GLN 12 -2.423 -25.579 -6.731 89 H LEU 13 H LEU 13 -5.905 -21.232 -3.323 90 HA LEU 13 HA LEU 13 -7.374 -23.652 -3.134 91 HB2 LEU 13 HB3 LEU 13 -5.655 -23.124 -1.548 92 HB3 LEU 13 HB2 LEU 13 -6.466 -21.644 -1.081 93 HG LEU 13 HG LEU 13 -7.958 -24.180 -0.662 94 HD11 LEU 13 HD11 LEU 13 -5.644 -23.318 1.071 95 HD12 LEU 13 HD12 LEU 13 -5.703 -24.770 0.071 96 HD13 LEU 13 HD13 LEU 13 -6.795 -24.600 1.445 97 HD21 LEU 13 HD21 LEU 13 -7.563 -21.686 0.994 98 HD22 LEU 13 HD22 LEU 13 -8.682 -23.002 1.351 99 HD23 LEU 13 HD23 LEU 13 -8.923 -22.002 -0.082 100 H ARG 14 H ARG 14 -8.268 -20.314 -3.154 101 HA ARG 14 HA ARG 14 -10.912 -20.943 -2.068 102 HB2 ARG 14 HB3 ARG 14 -9.588 -18.307 -2.691 103 HB3 ARG 14 HB2 ARG 14 -11.240 -18.464 -2.115 104 HG2 ARG 14 HG3 ARG 14 -10.314 -19.652 -0.102 105 HG3 ARG 14 HG2 ARG 14 -8.710 -19.167 -0.664 106 HD2 ARG 14 HD3 ARG 14 -10.999 -17.320 -0.027 107 HD3 ARG 14 HD2 ARG 14 -9.587 -17.601 0.989 108 HE ARG 14 HE ARG 14 -8.779 -16.738 -1.575 109 HH11 ARG 14 HH11 ARG 14 -10.270 -15.550 1.354 110 HH12 ARG 14 HH12 ARG 14 -9.688 -13.930 1.147 111 HH21 ARG 14 HH21 ARG 14 -8.051 -14.570 -1.879 112 HH22 ARG 14 HH22 ARG 14 -8.466 -13.373 -0.686 113 H LYS 15 H LYS 15 -9.406 -20.787 -5.025 114 HA LYS 15 HA LYS 15 -11.691 -19.708 -6.459 115 HB2 LYS 15 HB3 LYS 15 -9.288 -19.235 -7.130 116 HB3 LYS 15 HB2 LYS 15 -9.203 -20.906 -7.673 117 HG2 LYS 15 HG3 LYS 15 -11.141 -20.433 -9.177 118 HG3 LYS 15 HG2 LYS 15 -11.001 -18.734 -8.725 119 HD2 LYS 15 HD3 LYS 15 -8.869 -20.401 -10.060 120 HD3 LYS 15 HD2 LYS 15 -9.873 -19.182 -10.843 121 HE2 LYS 15 HE3 LYS 15 -7.911 -18.682 -8.613 122 HE3 LYS 15 HE2 LYS 15 -7.637 -18.334 -10.316 123 HZ1 LYS 15 HZ1 LYS 15 -9.534 -16.784 -10.217 124 HZ2 LYS 15 HZ2 LYS 15 -8.271 -16.339 -9.184 125 HZ3 LYS 15 HZ3 LYS 15 -9.665 -17.069 -8.552 126 H LEU 16 H LEU 16 -13.137 -20.836 -7.544 127 HA LEU 16 HA LEU 16 -12.966 -23.769 -7.449 128 HB2 LEU 16 HB3 LEU 16 -14.927 -22.172 -6.552 129 HB3 LEU 16 HB2 LEU 16 -15.448 -22.319 -8.216 130 HG LEU 16 HG LEU 16 -15.681 -24.703 -8.015 131 HD11 LEU 16 HD11 LEU 16 -13.778 -25.175 -6.591 132 HD12 LEU 16 HD12 LEU 16 -15.247 -25.843 -5.877 133 HD13 LEU 16 HD13 LEU 16 -14.555 -24.350 -5.241 134 HD21 LEU 16 HD21 LEU 16 -16.850 -23.298 -5.615 135 HD22 LEU 16 HD22 LEU 16 -17.423 -24.817 -6.305 136 HD23 LEU 16 HD23 LEU 16 -17.542 -23.324 -7.238 137 H PHE 17 H PHE 17 -12.727 -24.866 -9.271 138 HA PHE 17 HA PHE 17 -12.639 -23.486 -11.825 139 HB2 PHE 17 HB3 PHE 17 -10.861 -25.071 -11.315 140 HB3 PHE 17 HB2 PHE 17 -12.036 -26.345 -11.027 141 HD1 PHE 17 HD1 PHE 17 -11.724 -27.962 -12.627 142 HD2 PHE 17 HD2 PHE 17 -11.708 -23.875 -13.802 143 HE1 PHE 17 HE1 PHE 17 -11.556 -28.644 -14.981 144 HE2 PHE 17 HE2 PHE 17 -11.540 -24.549 -16.161 145 HZ PHE 17 HZ PHE 17 -11.458 -26.933 -16.756 146 H ILE 18 H ILE 18 -14.443 -23.248 -12.954 147 HA ILE 18 HA ILE 18 -16.632 -25.178 -12.531 148 HB ILE 18 HB ILE 18 -16.942 -22.436 -13.731 149 HG12 ILE 18 HG12 ILE 18 -15.928 -22.057 -11.564 150 HG13 ILE 18 HG13 ILE 18 -17.634 -21.637 -11.483 151 HG21 ILE 18 HG21 ILE 18 -18.775 -23.978 -14.069 152 HG22 ILE 18 HG22 ILE 18 -19.257 -22.692 -12.963 153 HG23 ILE 18 HG23 ILE 18 -18.861 -24.292 -12.335 154 HD11 ILE 18 HD11 ILE 18 -16.952 -22.789 -9.484 155 HD12 ILE 18 HD12 ILE 18 -16.363 -24.155 -10.439 156 HD13 ILE 18 HD13 ILE 18 -18.090 -23.787 -10.396 157 H GLY 19 H GLY 19 -16.274 -26.689 -14.141 158 HA2 GLY 19 HA3 GLY 19 -16.030 -25.604 -16.881 159 HA3 GLY 19 HA2 GLY 19 -15.354 -27.144 -16.377 160 H GLY 20 H GLY 20 -17.249 -26.450 -18.532 161 HA2 GLY 20 HA3 GLY 20 -18.724 -28.045 -19.484 162 HA3 GLY 20 HA2 GLY 20 -19.181 -28.557 -17.867 163 H LEU 21 H LEU 21 -19.063 -25.194 -18.185 164 HA LEU 21 HA LEU 21 -21.938 -25.056 -17.973 165 HB2 LEU 21 HB3 LEU 21 -21.505 -22.585 -17.717 166 HB3 LEU 21 HB2 LEU 21 -20.796 -23.628 -16.502 167 HG LEU 21 HG LEU 21 -18.644 -23.456 -17.943 168 HD11 LEU 21 HD11 LEU 21 -19.676 -22.356 -19.868 169 HD12 LEU 21 HD12 LEU 21 -18.403 -21.366 -19.152 170 HD13 LEU 21 HD13 LEU 21 -20.096 -20.979 -18.849 171 HD21 LEU 21 HD21 LEU 21 -17.989 -21.436 -16.729 172 HD22 LEU 21 HD22 LEU 21 -18.875 -22.563 -15.701 173 HD23 LEU 21 HD23 LEU 21 -19.681 -21.129 -16.336 174 H SER 22 H SER 22 -23.093 -23.280 -19.277 175 HA SER 22 HA SER 22 -22.782 -24.224 -21.991 176 HB2 SER 22 HB3 SER 22 -24.957 -23.016 -22.334 177 HB3 SER 22 HB2 SER 22 -25.003 -24.249 -21.074 178 HG SER 22 HG SER 22 -25.952 -22.495 -20.179 179 H PHE 23 H PHE 23 -23.316 -22.558 -23.763 180 HA PHE 23 HA PHE 23 -21.333 -20.463 -23.597 181 HB2 PHE 23 HB3 PHE 23 -23.229 -21.185 -25.843 182 HB3 PHE 23 HB2 PHE 23 -21.874 -20.067 -25.963 183 HD1 PHE 23 HD1 PHE 23 -22.920 -23.503 -26.075 184 HD2 PHE 23 HD2 PHE 23 -19.544 -20.945 -25.659 185 HE1 PHE 23 HE1 PHE 23 -21.433 -25.383 -26.626 186 HE2 PHE 23 HE2 PHE 23 -18.051 -22.821 -26.215 187 HZ PHE 23 HZ PHE 23 -18.996 -25.045 -26.691 188 H GLU 24 H GLU 24 -24.307 -20.743 -22.459 189 HA GLU 24 HA GLU 24 -25.226 -18.049 -23.088 190 HB2 GLU 24 HB3 GLU 24 -26.541 -20.060 -21.259 191 HB3 GLU 24 HB2 GLU 24 -27.286 -18.689 -22.070 192 HG2 GLU 24 HG3 GLU 24 -26.983 -19.790 -24.225 193 HG3 GLU 24 HG2 GLU 24 -26.224 -21.160 -23.418 194 H THR 25 H THR 25 -23.387 -19.756 -20.863 195 HA THR 25 HA THR 25 -23.931 -18.246 -18.509 196 HB THR 25 HB THR 25 -21.456 -19.857 -19.183 197 HG1 THR 25 HG1 THR 25 -23.898 -20.743 -19.043 198 HG21 THR 25 HG21 THR 25 -21.277 -20.104 -16.741 199 HG22 THR 25 HG22 THR 25 -22.686 -19.063 -16.535 200 HG23 THR 25 HG23 THR 25 -21.199 -18.411 -17.227 201 H THR 26 H THR 26 -23.118 -16.336 -17.900 202 HA THR 26 HA THR 26 -20.775 -15.272 -19.289 203 HB THR 26 HB THR 26 -22.617 -14.243 -20.431 204 HG1 THR 26 HG1 THR 26 -21.924 -12.213 -20.233 205 HG21 THR 26 HG21 THR 26 -24.393 -14.615 -18.844 206 HG22 THR 26 HG22 THR 26 -24.308 -12.899 -19.240 207 HG23 THR 26 HG23 THR 26 -23.658 -13.481 -17.707 208 H ASP 27 H ASP 27 -19.875 -13.348 -18.135 209 HA ASP 27 HA ASP 27 -18.928 -14.205 -15.711 210 HB2 ASP 27 HB3 ASP 27 -19.136 -11.344 -16.661 211 HB3 ASP 27 HB2 ASP 27 -18.105 -11.915 -15.364 212 H GLU 28 H GLU 28 -21.534 -11.860 -16.265 213 HA GLU 28 HA GLU 28 -21.979 -11.286 -13.552 214 HB2 GLU 28 HB3 GLU 28 -24.155 -10.368 -14.301 215 HB3 GLU 28 HB2 GLU 28 -22.792 -9.797 -15.249 216 HG2 GLU 28 HG3 GLU 28 -23.353 -11.269 -17.054 217 HG3 GLU 28 HG2 GLU 28 -24.622 -12.025 -16.094 218 H SER 29 H SER 29 -23.473 -13.745 -15.665 219 HA SER 29 HA SER 29 -25.390 -14.420 -13.612 220 HB2 SER 29 HB3 SER 29 -25.994 -16.285 -15.188 221 HB3 SER 29 HB2 SER 29 -26.115 -14.671 -15.883 222 HG SER 29 HG SER 29 -25.074 -15.987 -17.333 223 H LEU 30 H LEU 30 -22.287 -15.474 -14.674 224 HA LEU 30 HA LEU 30 -22.257 -18.024 -13.442 225 HB2 LEU 30 HB3 LEU 30 -20.661 -17.114 -15.200 226 HB3 LEU 30 HB2 LEU 30 -19.887 -16.211 -13.918 227 HG LEU 30 HG LEU 30 -18.781 -18.386 -14.650 228 HD11 LEU 30 HD11 LEU 30 -19.468 -18.052 -11.738 229 HD12 LEU 30 HD12 LEU 30 -18.157 -17.249 -12.599 230 HD13 LEU 30 HD13 LEU 30 -18.127 -18.998 -12.384 231 HD21 LEU 30 HD21 LEU 30 -19.640 -20.437 -13.634 232 HD22 LEU 30 HD22 LEU 30 -20.771 -19.762 -14.807 233 HD23 LEU 30 HD23 LEU 30 -21.067 -19.560 -13.080 234 H ARG 31 H ARG 31 -21.218 -14.797 -12.379 235 HA ARG 31 HA ARG 31 -20.404 -15.736 -9.816 236 HB2 ARG 31 HB3 ARG 31 -19.760 -13.593 -9.352 237 HB3 ARG 31 HB2 ARG 31 -19.783 -13.510 -11.106 238 HG2 ARG 31 HG3 ARG 31 -22.010 -12.490 -11.016 239 HG3 ARG 31 HG2 ARG 31 -21.955 -12.564 -9.251 240 HD2 ARG 31 HD3 ARG 31 -21.365 -10.338 -10.105 241 HD3 ARG 31 HD2 ARG 31 -20.040 -11.087 -9.220 242 HE ARG 31 HE ARG 31 -18.930 -11.482 -11.302 243 HH11 ARG 31 HH11 ARG 31 -21.790 -9.467 -11.515 244 HH12 ARG 31 HH12 ARG 31 -21.300 -8.724 -13.018 245 HH21 ARG 31 HH21 ARG 31 -18.274 -10.476 -13.261 246 HH22 ARG 31 HH22 ARG 31 -19.318 -9.295 -13.994 247 H SER 32 H SER 32 -23.387 -14.345 -11.113 248 HA SER 32 HA SER 32 -24.674 -13.851 -8.680 249 HB2 SER 32 HB3 SER 32 -25.884 -14.603 -11.350 250 HB3 SER 32 HB2 SER 32 -26.782 -13.940 -9.983 251 HG SER 32 HG SER 32 -24.806 -12.704 -11.584 252 H HIS 33 H HIS 33 -24.472 -16.808 -10.610 253 HA HIS 33 HA HIS 33 -26.286 -18.224 -8.928 254 HB2 HIS 33 HB3 HIS 33 -24.583 -18.906 -11.254 255 HB3 HIS 33 HB2 HIS 33 -25.012 -20.229 -10.172 256 HD2 HIS 33 HD2 HIS 33 -27.748 -20.818 -10.010 257 HE1 HIS 33 HE1 HIS 33 -28.774 -18.494 -13.390 258 HE2 HIS 33 HE2 HIS 33 -29.538 -20.343 -11.827 259 H PHE 34 H PHE 34 -22.776 -17.842 -9.000 260 HA PHE 34 HA PHE 34 -22.498 -19.897 -6.983 261 HB2 PHE 34 HB3 PHE 34 -20.554 -18.219 -8.515 262 HB3 PHE 34 HB2 PHE 34 -20.030 -19.055 -7.053 263 HD1 PHE 34 HD1 PHE 34 -20.156 -21.509 -6.922 264 HD2 PHE 34 HD2 PHE 34 -20.958 -19.402 -10.529 265 HE1 PHE 34 HE1 PHE 34 -19.891 -23.596 -8.193 266 HE2 PHE 34 HE2 PHE 34 -20.692 -21.485 -11.807 267 HZ PHE 34 HZ PHE 34 -20.163 -23.587 -10.639 268 H GLU 35 H GLU 35 -22.972 -16.501 -7.002 269 HA GLU 35 HA GLU 35 -21.825 -16.060 -4.403 270 HB2 GLU 35 HB3 GLU 35 -23.562 -14.365 -6.177 271 HB3 GLU 35 HB2 GLU 35 -23.144 -13.871 -4.541 272 HG2 GLU 35 HG3 GLU 35 -20.708 -14.284 -5.293 273 HG3 GLU 35 HG2 GLU 35 -21.374 -14.200 -6.924 274 H GLN 36 H GLN 36 -24.130 -18.024 -5.044 275 HA GLN 36 HA GLN 36 -26.161 -17.118 -3.191 276 HB2 GLN 36 HB3 GLN 36 -25.813 -19.629 -4.806 277 HB3 GLN 36 HB2 GLN 36 -27.113 -19.420 -3.645 278 HG2 GLN 36 HG3 GLN 36 -27.951 -17.515 -4.897 279 HG3 GLN 36 HG2 GLN 36 -26.610 -17.661 -6.034 280 HE21 GLN 36 HE21 GLN 36 -26.525 -19.458 -7.395 281 HE22 GLN 36 HE22 GLN 36 -27.950 -20.346 -7.807 282 H TRP 37 H TRP 37 -23.424 -19.281 -3.262 283 HA TRP 37 HA TRP 37 -24.046 -20.145 -0.522 284 HB2 TRP 37 HB3 TRP 37 -22.232 -21.452 -2.570 285 HB3 TRP 37 HB2 TRP 37 -22.498 -22.033 -0.932 286 HD1 TRP 37 HD1 TRP 37 -24.737 -23.342 -0.435 287 HE1 TRP 37 HE1 TRP 37 -26.602 -24.285 -1.928 288 HE3 TRP 37 HE3 TRP 37 -23.517 -21.026 -4.826 289 HZ2 TRP 37 HZ2 TRP 37 -27.432 -24.099 -4.610 290 HZ3 TRP 37 HZ3 TRP 37 -24.896 -21.477 -6.809 291 HH2 TRP 37 HH2 TRP 37 -26.812 -22.981 -6.703 292 H GLY 38 H GLY 38 -22.613 -17.684 -1.721 293 HA2 GLY 38 HA3 GLY 38 -21.019 -17.025 0.374 294 HA3 GLY 38 HA2 GLY 38 -19.939 -17.940 -0.665 295 H THR 39 H THR 39 -18.805 -15.822 -0.541 296 HA THR 39 HA THR 39 -19.887 -13.896 -2.491 297 HB THR 39 HB THR 39 -18.057 -13.508 -0.126 298 HG1 THR 39 HG1 THR 39 -20.697 -12.803 -0.821 299 HG21 THR 39 HG21 THR 39 -17.965 -11.118 -0.787 300 HG22 THR 39 HG22 THR 39 -18.720 -11.545 -2.324 301 HG23 THR 39 HG23 THR 39 -17.125 -12.185 -1.913 302 H LEU 40 H LEU 40 -18.853 -13.725 -4.365 303 HA LEU 40 HA LEU 40 -16.281 -15.044 -4.685 304 HB2 LEU 40 HB3 LEU 40 -17.982 -13.721 -6.791 305 HB3 LEU 40 HB2 LEU 40 -16.665 -14.847 -7.053 306 HG LEU 40 HG LEU 40 -19.203 -15.570 -5.626 307 HD11 LEU 40 HD11 LEU 40 -18.434 -15.947 -8.493 308 HD12 LEU 40 HD12 LEU 40 -19.803 -15.037 -7.861 309 HD13 LEU 40 HD13 LEU 40 -19.760 -16.793 -7.700 310 HD21 LEU 40 HD21 LEU 40 -16.836 -17.122 -6.583 311 HD22 LEU 40 HD22 LEU 40 -18.381 -17.881 -6.203 312 HD23 LEU 40 HD23 LEU 40 -17.488 -17.018 -4.950 313 H THR 41 H THR 41 -14.560 -13.915 -4.237 314 HA THR 41 HA THR 41 -14.488 -11.032 -4.418 315 HB THR 41 HB THR 41 -12.148 -11.309 -3.601 316 HG1 THR 41 HG1 THR 41 -12.458 -13.991 -3.032 317 HG21 THR 41 HG21 THR 41 -12.721 -12.198 -1.396 318 HG22 THR 41 HG22 THR 41 -14.196 -12.907 -2.055 319 HG23 THR 41 HG23 THR 41 -14.007 -11.153 -2.001 320 H ASP 42 H ASP 42 -13.616 -13.765 -6.296 321 HA ASP 42 HA ASP 42 -12.604 -12.049 -8.434 322 HB2 ASP 42 HB3 ASP 42 -10.616 -12.828 -7.245 323 HB3 ASP 42 HB2 ASP 42 -11.159 -14.486 -7.375 324 H CYS 43 H CYS 43 -14.370 -12.450 -9.698 325 HA CYS 43 HA CYS 43 -14.781 -15.265 -10.439 326 HB2 CYS 43 HB3 CYS 43 -17.170 -14.642 -10.894 327 HB3 CYS 43 HB2 CYS 43 -16.713 -14.560 -9.197 328 HG CYS 43 HG CYS 43 -16.121 -11.614 -9.893 329 H VAL 44 H VAL 44 -14.953 -15.740 -12.604 330 HA VAL 44 HA VAL 44 -15.187 -13.682 -14.595 331 HB VAL 44 HB VAL 44 -12.839 -13.355 -13.845 332 HG11 VAL 44 HG11 VAL 44 -12.432 -16.158 -14.877 333 HG12 VAL 44 HG12 VAL 44 -12.310 -15.629 -13.199 334 HG13 VAL 44 HG13 VAL 44 -11.152 -15.045 -14.394 335 HG21 VAL 44 HG21 VAL 44 -13.069 -14.427 -16.655 336 HG22 VAL 44 HG22 VAL 44 -11.833 -13.322 -16.051 337 HG23 VAL 44 HG23 VAL 44 -13.516 -12.801 -16.138 338 H VAL 45 H VAL 45 -15.558 -14.494 -16.638 339 HA VAL 45 HA VAL 45 -15.403 -17.428 -16.949 340 HB VAL 45 HB VAL 45 -17.378 -15.541 -18.258 341 HG11 VAL 45 HG11 VAL 45 -18.442 -17.565 -19.124 342 HG12 VAL 45 HG12 VAL 45 -17.166 -18.546 -18.403 343 HG13 VAL 45 HG13 VAL 45 -16.781 -17.415 -19.701 344 HG21 VAL 45 HG21 VAL 45 -17.880 -15.861 -15.903 345 HG22 VAL 45 HG22 VAL 45 -17.797 -17.611 -16.108 346 HG23 VAL 45 HG23 VAL 45 -19.070 -16.689 -16.907 347 H MET 46 H MET 46 -14.453 -18.213 -18.748 348 HA MET 46 HA MET 46 -12.934 -16.316 -20.343 349 HB2 MET 46 HB3 MET 46 -12.874 -19.320 -20.091 350 HB3 MET 46 HB2 MET 46 -11.927 -18.456 -21.290 351 HG2 MET 46 HG3 MET 46 -10.546 -18.945 -19.415 352 HG3 MET 46 HG2 MET 46 -10.831 -17.210 -19.477 353 HE1 MET 46 HE1 MET 46 -9.902 -17.001 -17.052 354 HE2 MET 46 HE2 MET 46 -9.639 -18.748 -17.007 355 HE3 MET 46 HE3 MET 46 -10.493 -17.945 -15.682 356 H ARG 47 H ARG 47 -13.154 -16.040 -22.548 357 HA ARG 47 HA ARG 47 -15.549 -17.291 -23.695 358 HB2 ARG 47 HB3 ARG 47 -14.141 -14.862 -24.803 359 HB3 ARG 47 HB2 ARG 47 -15.756 -15.449 -25.192 360 HG2 ARG 47 HG3 ARG 47 -14.872 -14.236 -22.579 361 HG3 ARG 47 HG2 ARG 47 -15.869 -13.465 -23.812 362 HD2 ARG 47 HD3 ARG 47 -17.600 -15.147 -23.468 363 HD3 ARG 47 HD2 ARG 47 -16.596 -15.939 -22.253 364 HE ARG 47 HE ARG 47 -16.766 -13.640 -21.089 365 HH11 ARG 47 HH11 ARG 47 -19.281 -15.160 -22.993 366 HH12 ARG 47 HH12 ARG 47 -20.583 -14.409 -22.118 367 HH21 ARG 47 HH21 ARG 47 -18.465 -12.666 -19.909 368 HH22 ARG 47 HH22 ARG 47 -20.116 -12.972 -20.378 369 H ASP 48 H ASP 48 -15.427 -18.285 -25.642 370 HA ASP 48 HA ASP 48 -13.109 -19.792 -26.051 371 HB2 ASP 48 HB3 ASP 48 -15.579 -20.276 -26.676 372 HB3 ASP 48 HB2 ASP 48 -15.205 -19.408 -28.158 373 HA PRO 49 HA PRO 49 -10.693 -17.157 -28.710 374 HB2 PRO 49 HB3 PRO 49 -9.207 -19.100 -29.926 375 HB3 PRO 49 HB2 PRO 49 -8.880 -18.494 -28.299 376 HG2 PRO 49 HG3 PRO 49 -10.338 -20.969 -29.143 377 HG3 PRO 49 HG2 PRO 49 -9.154 -20.757 -27.839 378 HD2 PRO 49 HD3 PRO 49 -11.801 -20.856 -27.358 379 HD3 PRO 49 HD2 PRO 49 -10.713 -19.824 -26.407 380 H ASN 50 H ASN 50 -12.680 -19.783 -29.813 381 HA ASN 50 HA ASN 50 -12.461 -18.901 -32.602 382 HB2 ASN 50 HB3 ASN 50 -14.111 -21.229 -31.635 383 HB3 ASN 50 HB2 ASN 50 -13.447 -20.950 -33.241 384 HD21 ASN 50 HD21 ASN 50 -12.829 -21.992 -30.019 385 HD22 ASN 50 HD22 ASN 50 -11.296 -22.762 -30.334 386 H THR 51 H THR 51 -14.978 -19.701 -30.201 387 HA THR 51 HA THR 51 -17.027 -18.557 -31.852 388 HB THR 51 HB THR 51 -18.600 -19.239 -30.209 389 HG1 THR 51 HG1 THR 51 -17.098 -20.178 -28.213 390 HG21 THR 51 HG21 THR 51 -16.317 -21.214 -30.167 391 HG22 THR 51 HG22 THR 51 -17.553 -21.089 -31.422 392 HG23 THR 51 HG23 THR 51 -18.001 -21.574 -29.786 393 H LYS 52 H LYS 52 -15.136 -17.525 -29.107 394 HA LYS 52 HA LYS 52 -14.981 -15.597 -27.913 395 HB2 LYS 52 HB3 LYS 52 -16.530 -14.295 -30.168 396 HB3 LYS 52 HB2 LYS 52 -15.486 -13.498 -29.003 397 HG2 LYS 52 HG3 LYS 52 -14.565 -15.479 -31.073 398 HG3 LYS 52 HG2 LYS 52 -14.471 -13.728 -31.234 399 HD2 LYS 52 HD3 LYS 52 -13.163 -15.245 -28.984 400 HD3 LYS 52 HD2 LYS 52 -12.351 -14.904 -30.511 401 HE2 LYS 52 HE3 LYS 52 -11.638 -13.153 -29.190 402 HE3 LYS 52 HE2 LYS 52 -13.021 -12.442 -30.020 403 HZ1 LYS 52 HZ1 LYS 52 -13.006 -13.545 -27.258 404 HZ2 LYS 52 HZ2 LYS 52 -14.369 -12.921 -28.048 405 HZ3 LYS 52 HZ3 LYS 52 -13.069 -11.905 -27.686 406 H ARG 53 H ARG 53 -17.283 -17.390 -27.596 407 HA ARG 53 HA ARG 53 -19.219 -15.446 -26.501 408 HB2 ARG 53 HB3 ARG 53 -19.648 -17.999 -27.955 409 HB3 ARG 53 HB2 ARG 53 -20.709 -17.687 -26.590 410 HG2 ARG 53 HG3 ARG 53 -21.791 -16.913 -28.563 411 HG3 ARG 53 HG2 ARG 53 -21.299 -15.503 -27.627 412 HD2 ARG 53 HD3 ARG 53 -19.324 -15.261 -29.070 413 HD3 ARG 53 HD2 ARG 53 -19.866 -16.643 -30.021 414 HE ARG 53 HE ARG 53 -21.940 -14.773 -29.961 415 HH11 ARG 53 HH11 ARG 53 -18.714 -15.142 -31.262 416 HH12 ARG 53 HH12 ARG 53 -18.979 -14.038 -32.578 417 HH21 ARG 53 HH21 ARG 53 -22.289 -13.308 -31.698 418 HH22 ARG 53 HH22 ARG 53 -20.995 -12.981 -32.810 419 H SER 54 H SER 54 -18.133 -18.805 -26.062 420 HA SER 54 HA SER 54 -17.427 -18.235 -23.328 421 HB2 SER 54 HB3 SER 54 -19.801 -18.736 -23.038 422 HB3 SER 54 HB2 SER 54 -19.628 -20.224 -23.966 423 HG SER 54 HG SER 54 -19.603 -20.475 -21.630 424 H ARG 55 H ARG 55 -15.921 -19.654 -22.550 425 HA ARG 55 HA ARG 55 -14.736 -21.479 -24.470 426 HB2 ARG 55 HB3 ARG 55 -13.917 -20.085 -22.033 427 HB3 ARG 55 HB2 ARG 55 -13.334 -21.735 -22.108 428 HG2 ARG 55 HG3 ARG 55 -12.973 -19.996 -24.488 429 HG3 ARG 55 HG2 ARG 55 -11.940 -19.739 -23.082 430 HD2 ARG 55 HD3 ARG 55 -10.802 -21.230 -24.548 431 HD3 ARG 55 HD2 ARG 55 -11.360 -22.166 -23.165 432 HE ARG 55 HE ARG 55 -13.049 -22.173 -25.550 433 HH11 ARG 55 HH11 ARG 55 -10.647 -23.846 -23.605 434 HH12 ARG 55 HH12 ARG 55 -10.979 -25.395 -24.321 435 HH21 ARG 55 HH21 ARG 55 -13.433 -24.183 -26.515 436 HH22 ARG 55 HH22 ARG 55 -12.540 -25.588 -26.002 437 H GLY 56 H GLY 56 -17.158 -21.660 -22.221 438 HA2 GLY 56 HA3 GLY 56 -18.368 -23.561 -21.623 439 HA3 GLY 56 HA2 GLY 56 -17.041 -24.559 -22.201 440 H PHE 57 H PHE 57 -16.197 -21.988 -20.099 441 HA PHE 57 HA PHE 57 -16.551 -23.340 -17.636 442 HB2 PHE 57 HB3 PHE 57 -14.151 -23.718 -17.104 443 HB3 PHE 57 HB2 PHE 57 -14.756 -24.774 -18.368 444 HD1 PHE 57 HD1 PHE 57 -12.795 -21.666 -17.804 445 HD2 PHE 57 HD2 PHE 57 -13.688 -24.913 -20.392 446 HE1 PHE 57 HE1 PHE 57 -10.944 -20.987 -19.276 447 HE2 PHE 57 HE2 PHE 57 -11.842 -24.240 -21.881 448 HZ PHE 57 HZ PHE 57 -10.467 -22.275 -21.320 449 H GLY 58 H GLY 58 -15.572 -22.206 -15.833 450 HA2 GLY 58 HA3 GLY 58 -14.443 -19.579 -16.302 451 HA3 GLY 58 HA2 GLY 58 -16.061 -19.577 -15.606 452 H PHE 59 H PHE 59 -14.394 -18.420 -13.992 453 HA PHE 59 HA PHE 59 -13.778 -20.465 -11.974 454 HB2 PHE 59 HB3 PHE 59 -11.959 -18.211 -12.816 455 HB3 PHE 59 HB2 PHE 59 -11.732 -19.159 -11.353 456 HD1 PHE 59 HD1 PHE 59 -10.918 -21.412 -11.444 457 HD2 PHE 59 HD2 PHE 59 -11.616 -19.202 -15.005 458 HE1 PHE 59 HE1 PHE 59 -9.635 -23.074 -12.727 459 HE2 PHE 59 HE2 PHE 59 -10.339 -20.855 -16.298 460 HZ PHE 59 HZ PHE 59 -9.343 -22.793 -15.154 461 H VAL 60 H VAL 60 -13.823 -19.772 -9.836 462 HA VAL 60 HA VAL 60 -14.891 -17.130 -9.241 463 HB VAL 60 HB VAL 60 -16.671 -18.379 -7.789 464 HG11 VAL 60 HG11 VAL 60 -16.992 -17.948 -10.734 465 HG12 VAL 60 HG12 VAL 60 -17.092 -16.703 -9.487 466 HG13 VAL 60 HG13 VAL 60 -18.290 -18.001 -9.540 467 HG21 VAL 60 HG21 VAL 60 -16.263 -20.297 -10.063 468 HG22 VAL 60 HG22 VAL 60 -17.635 -20.304 -8.954 469 HG23 VAL 60 HG23 VAL 60 -16.013 -20.634 -8.350 470 H THR 61 H THR 61 -13.610 -16.437 -7.727 471 HA THR 61 HA THR 61 -12.518 -18.304 -5.750 472 HB THR 61 HB THR 61 -11.802 -15.393 -6.039 473 HG1 THR 61 HG1 THR 61 -11.275 -16.069 -8.031 474 HG21 THR 61 HG21 THR 61 -9.660 -16.136 -5.103 475 HG22 THR 61 HG22 THR 61 -10.270 -17.789 -5.029 476 HG23 THR 61 HG23 THR 61 -11.005 -16.532 -4.035 477 H TYR 62 H TYR 62 -13.634 -18.501 -3.922 478 HA TYR 62 HA TYR 62 -15.615 -16.553 -3.176 479 HB2 TYR 62 HB3 TYR 62 -14.707 -19.178 -2.028 480 HB3 TYR 62 HB2 TYR 62 -15.809 -18.135 -1.135 481 HD1 TYR 62 HD1 TYR 62 -18.080 -17.828 -1.848 482 HD2 TYR 62 HD2 TYR 62 -15.431 -20.255 -4.123 483 HE1 TYR 62 HE1 TYR 62 -19.994 -18.745 -3.080 484 HE2 TYR 62 HE2 TYR 62 -17.343 -21.183 -5.363 485 HH TYR 62 HH TYR 62 -20.520 -19.834 -5.095 486 H ALA 63 H ALA 63 -15.723 -15.979 -0.735 487 HA ALA 63 HA ALA 63 -13.413 -14.349 -0.218 488 HB1 ALA 63 HB1 ALA 63 -15.860 -14.807 1.489 489 HB2 ALA 63 HB2 ALA 63 -15.703 -13.565 0.245 490 HB3 ALA 63 HB3 ALA 63 -14.677 -13.512 1.680 491 H THR 64 H THR 64 -14.666 -17.388 0.856 492 HA THR 64 HA THR 64 -12.171 -17.947 2.189 493 HB THR 64 HB THR 64 -13.298 -17.001 4.068 494 HG1 THR 64 HG1 THR 64 -12.999 -18.662 5.390 495 HG21 THR 64 HG21 THR 64 -15.588 -17.056 3.202 496 HG22 THR 64 HG22 THR 64 -15.500 -17.727 4.832 497 HG23 THR 64 HG23 THR 64 -15.635 -18.803 3.442 498 H VAL 65 H VAL 65 -11.872 -20.179 2.631 499 HA VAL 65 HA VAL 65 -12.807 -21.982 0.742 500 HB VAL 65 HB VAL 65 -10.788 -22.476 1.902 501 HG11 VAL 65 HG11 VAL 65 -10.697 -22.948 4.308 502 HG12 VAL 65 HG12 VAL 65 -12.406 -22.532 4.444 503 HG13 VAL 65 HG13 VAL 65 -11.233 -21.301 3.973 504 HG21 VAL 65 HG21 VAL 65 -11.150 -24.755 2.726 505 HG22 VAL 65 HG22 VAL 65 -12.050 -24.448 1.240 506 HG23 VAL 65 HG23 VAL 65 -12.886 -24.451 2.793 507 H GLU 66 H GLU 66 -14.185 -21.044 3.804 508 HA GLU 66 HA GLU 66 -15.924 -23.139 4.349 509 HB2 GLU 66 HB3 GLU 66 -16.436 -20.180 4.717 510 HB3 GLU 66 HB2 GLU 66 -17.291 -21.478 5.537 511 HG2 GLU 66 HG3 GLU 66 -14.341 -20.965 5.799 512 HG3 GLU 66 HG2 GLU 66 -15.563 -20.354 6.912 513 H GLU 67 H GLU 67 -16.201 -20.532 2.028 514 HA GLU 67 HA GLU 67 -18.967 -21.087 1.430 515 HB2 GLU 67 HB3 GLU 67 -17.081 -19.345 -0.148 516 HB3 GLU 67 HB2 GLU 67 -18.837 -19.255 -0.081 517 HG2 GLU 67 HG3 GLU 67 -18.636 -18.654 2.325 518 HG3 GLU 67 HG2 GLU 67 -16.893 -18.561 2.097 519 H VAL 68 H VAL 68 -15.818 -21.746 0.057 520 HA VAL 68 HA VAL 68 -16.600 -22.816 -2.413 521 HB VAL 68 HB VAL 68 -14.212 -23.392 -0.657 522 HG11 VAL 68 HG11 VAL 68 -13.206 -24.552 -2.608 523 HG12 VAL 68 HG12 VAL 68 -14.776 -24.485 -3.415 524 HG13 VAL 68 HG13 VAL 68 -14.589 -25.413 -1.930 525 HG21 VAL 68 HG21 VAL 68 -14.334 -21.180 -1.690 526 HG22 VAL 68 HG22 VAL 68 -14.509 -21.933 -3.277 527 HG23 VAL 68 HG23 VAL 68 -13.011 -22.134 -2.366 528 H ASP 69 H ASP 69 -16.140 -24.379 0.737 529 HA ASP 69 HA ASP 69 -16.793 -26.996 0.012 530 HB2 ASP 69 HB3 ASP 69 -15.856 -26.310 2.218 531 HB3 ASP 69 HB2 ASP 69 -17.432 -25.648 2.643 532 H ALA 70 H ALA 70 -18.900 -24.352 1.083 533 HA ALA 70 HA ALA 70 -21.312 -25.767 1.117 534 HB1 ALA 70 HB1 ALA 70 -22.401 -23.594 0.986 535 HB2 ALA 70 HB2 ALA 70 -20.882 -22.850 0.485 536 HB3 ALA 70 HB3 ALA 70 -21.034 -23.542 2.100 537 H ALA 71 H ALA 71 -19.765 -23.924 -1.491 538 HA ALA 71 HA ALA 71 -21.808 -24.243 -3.397 539 HB1 ALA 71 HB1 ALA 71 -20.142 -23.591 -5.044 540 HB2 ALA 71 HB2 ALA 71 -18.855 -23.867 -3.869 541 HB3 ALA 71 HB3 ALA 71 -20.029 -22.576 -3.606 542 H MET 72 H MET 72 -19.001 -26.232 -2.601 543 HA MET 72 HA MET 72 -19.254 -28.023 -4.782 544 HB2 MET 72 HB3 MET 72 -18.021 -28.453 -2.053 545 HB3 MET 72 HB2 MET 72 -17.874 -29.572 -3.397 546 HG2 MET 72 HG3 MET 72 -16.769 -27.715 -4.686 547 HG3 MET 72 HG2 MET 72 -16.752 -26.796 -3.182 548 HE1 MET 72 HE1 MET 72 -14.246 -27.870 -5.140 549 HE2 MET 72 HE2 MET 72 -13.035 -28.134 -3.885 550 HE3 MET 72 HE3 MET 72 -14.050 -26.693 -3.842 551 H ASN 73 H ASN 73 -20.519 -28.031 -1.489 552 HA ASN 73 HA ASN 73 -21.642 -30.646 -1.607 553 HB2 ASN 73 HB3 ASN 73 -22.336 -28.320 0.202 554 HB3 ASN 73 HB2 ASN 73 -22.827 -29.991 0.456 555 HD21 ASN 73 HD21 ASN 73 -21.139 -28.104 2.018 556 HD22 ASN 73 HD22 ASN 73 -19.642 -28.934 2.283 557 H ALA 74 H ALA 74 -22.560 -27.697 -2.949 558 HA ALA 74 HA ALA 74 -25.408 -28.212 -2.925 559 HB1 ALA 74 HB1 ALA 74 -23.827 -26.015 -4.253 560 HB2 ALA 74 HB2 ALA 74 -24.583 -25.927 -2.660 561 HB3 ALA 74 HB3 ALA 74 -25.583 -26.086 -4.105 562 H ARG 75 H ARG 75 -23.014 -29.583 -4.632 563 HA ARG 75 HA ARG 75 -24.145 -29.406 -7.268 564 HB2 ARG 75 HB3 ARG 75 -22.461 -30.958 -7.952 565 HB3 ARG 75 HB2 ARG 75 -21.712 -29.822 -6.842 566 HG2 ARG 75 HG3 ARG 75 -21.881 -31.487 -5.047 567 HG3 ARG 75 HG2 ARG 75 -22.583 -32.630 -6.196 568 HD2 ARG 75 HD3 ARG 75 -19.833 -31.394 -6.328 569 HD3 ARG 75 HD2 ARG 75 -20.215 -33.070 -5.933 570 HE ARG 75 HE ARG 75 -21.297 -32.515 -8.442 571 HH11 ARG 75 HH11 ARG 75 -18.151 -32.796 -6.934 572 HH12 ARG 75 HH12 ARG 75 -17.349 -33.283 -8.404 573 HH21 ARG 75 HH21 ARG 75 -20.252 -33.142 -10.376 574 HH22 ARG 75 HH22 ARG 75 -18.547 -33.480 -10.354 575 HA PRO 76 HA PRO 76 -23.995 -31.264 -9.130 576 HB2 PRO 76 HB3 PRO 76 -26.721 -31.471 -10.233 577 HB3 PRO 76 HB2 PRO 76 -25.243 -32.298 -10.733 578 HG2 PRO 76 HG3 PRO 76 -27.213 -33.592 -9.460 579 HG3 PRO 76 HG2 PRO 76 -25.507 -33.988 -9.188 580 HD2 PRO 76 HD3 PRO 76 -27.374 -32.377 -7.488 581 HD3 PRO 76 HD2 PRO 76 -26.151 -33.569 -7.000 582 H HIS 77 H HIS 77 -23.580 -29.252 -9.624 583 HA HIS 77 HA HIS 77 -25.244 -27.133 -8.629 584 HB2 HIS 77 HB3 HIS 77 -22.661 -27.276 -8.687 585 HB3 HIS 77 HB2 HIS 77 -22.813 -26.778 -10.367 586 HD2 HIS 77 HD2 HIS 77 -22.498 -25.259 -6.955 587 HE1 HIS 77 HE1 HIS 77 -24.131 -22.264 -9.481 588 HE2 HIS 77 HE2 HIS 77 -23.290 -22.787 -7.137 589 H LYS 78 H LYS 78 -26.028 -25.367 -9.915 590 HA LYS 78 HA LYS 78 -26.490 -25.984 -12.746 591 HB2 LYS 78 HB3 LYS 78 -28.497 -26.686 -11.553 592 HB3 LYS 78 HB2 LYS 78 -28.585 -25.135 -10.732 593 HG2 LYS 78 HG3 LYS 78 -30.220 -25.198 -12.486 594 HG3 LYS 78 HG2 LYS 78 -28.960 -24.038 -12.911 595 HD2 LYS 78 HD3 LYS 78 -29.495 -25.309 -14.867 596 HD3 LYS 78 HD2 LYS 78 -27.899 -25.811 -14.310 597 HE2 LYS 78 HE3 LYS 78 -29.225 -27.733 -14.976 598 HE3 LYS 78 HE2 LYS 78 -28.887 -27.777 -13.247 599 HZ1 LYS 78 HZ1 LYS 78 -31.107 -26.962 -12.811 600 HZ2 LYS 78 HZ2 LYS 78 -31.184 -28.369 -13.751 601 HZ3 LYS 78 HZ3 LYS 78 -31.433 -26.852 -14.470 602 H VAL 79 H VAL 79 -25.603 -24.352 -13.846 603 HA VAL 79 HA VAL 79 -25.965 -21.616 -12.804 604 HB VAL 79 HB VAL 79 -23.601 -22.713 -14.321 605 HG11 VAL 79 HG11 VAL 79 -24.144 -19.883 -13.437 606 HG12 VAL 79 HG12 VAL 79 -24.123 -20.465 -15.102 607 HG13 VAL 79 HG13 VAL 79 -22.640 -20.469 -14.148 608 HG21 VAL 79 HG21 VAL 79 -23.571 -23.277 -11.973 609 HG22 VAL 79 HG22 VAL 79 -23.819 -21.582 -11.547 610 HG23 VAL 79 HG23 VAL 79 -22.327 -22.085 -12.342 611 H ASP 80 H ASP 80 -26.942 -20.220 -14.076 612 HA ASP 80 HA ASP 80 -28.093 -19.311 -15.805 613 HB2 ASP 80 HB3 ASP 80 -25.954 -19.476 -17.091 614 HB3 ASP 80 HB2 ASP 80 -26.427 -21.092 -17.600 615 H GLY 81 H GLY 81 -27.495 -22.673 -16.575 616 HA2 GLY 81 HA3 GLY 81 -29.984 -23.773 -16.149 617 HA3 GLY 81 HA2 GLY 81 -30.024 -23.160 -17.803 618 H ARG 82 H ARG 82 -27.246 -24.345 -16.079 619 HA ARG 82 HA ARG 82 -27.061 -26.725 -17.751 620 HB2 ARG 82 HB3 ARG 82 -25.929 -25.034 -19.064 621 HB3 ARG 82 HB2 ARG 82 -25.038 -24.475 -17.659 622 HG2 ARG 82 HG3 ARG 82 -23.596 -25.754 -19.095 623 HG3 ARG 82 HG2 ARG 82 -23.848 -26.621 -17.580 624 HD2 ARG 82 HD3 ARG 82 -25.469 -28.065 -18.639 625 HD3 ARG 82 HD2 ARG 82 -25.333 -27.156 -20.144 626 HE ARG 82 HE ARG 82 -22.800 -27.939 -19.733 627 HH11 ARG 82 HH11 ARG 82 -25.809 -29.716 -19.605 628 HH12 ARG 82 HH12 ARG 82 -25.112 -31.193 -20.182 629 HH21 ARG 82 HH21 ARG 82 -21.873 -29.876 -20.509 630 HH22 ARG 82 HH22 ARG 82 -22.869 -31.290 -20.695 631 H VAL 83 H VAL 83 -26.218 -28.398 -16.624 632 HA VAL 83 HA VAL 83 -25.480 -28.045 -13.879 633 HB VAL 83 HB VAL 83 -25.191 -30.493 -15.631 634 HG11 VAL 83 HG11 VAL 83 -25.139 -30.213 -12.627 635 HG12 VAL 83 HG12 VAL 83 -23.769 -30.617 -13.662 636 HG13 VAL 83 HG13 VAL 83 -25.122 -31.739 -13.514 637 HG21 VAL 83 HG21 VAL 83 -27.406 -29.694 -13.747 638 HG22 VAL 83 HG22 VAL 83 -27.275 -31.247 -14.572 639 HG23 VAL 83 HG23 VAL 83 -27.507 -29.769 -15.506 640 H VAL 84 H VAL 84 -23.579 -27.306 -13.240 641 HA VAL 84 HA VAL 84 -21.257 -27.690 -15.000 642 HB VAL 84 HB VAL 84 -20.200 -25.832 -13.877 643 HG11 VAL 84 HG11 VAL 84 -21.673 -25.293 -15.726 644 HG12 VAL 84 HG12 VAL 84 -21.718 -24.017 -14.509 645 HG13 VAL 84 HG13 VAL 84 -23.044 -25.175 -14.623 646 HG21 VAL 84 HG21 VAL 84 -21.330 -24.536 -12.136 647 HG22 VAL 84 HG22 VAL 84 -21.050 -26.199 -11.620 648 HG23 VAL 84 HG23 VAL 84 -22.660 -25.695 -12.136 649 H GLU 85 H GLU 85 -19.157 -27.997 -13.880 650 HA GLU 85 HA GLU 85 -19.501 -29.641 -11.463 651 HB2 GLU 85 HB3 GLU 85 -18.904 -30.994 -13.444 652 HB3 GLU 85 HB2 GLU 85 -17.457 -30.020 -13.661 653 HG2 GLU 85 HG3 GLU 85 -16.523 -30.818 -11.619 654 HG3 GLU 85 HG2 GLU 85 -18.028 -31.625 -11.185 655 HA PRO 86 HA PRO 86 -16.703 -26.400 -10.129 656 HB2 PRO 86 HB3 PRO 86 -17.752 -26.252 -7.607 657 HB3 PRO 86 HB2 PRO 86 -18.417 -25.414 -9.010 658 HG2 PRO 86 HG3 PRO 86 -19.532 -27.637 -7.512 659 HG3 PRO 86 HG2 PRO 86 -20.293 -26.650 -8.767 660 HD2 PRO 86 HD3 PRO 86 -19.095 -29.304 -8.976 661 HD3 PRO 86 HD2 PRO 86 -20.125 -28.445 -10.137 662 H LYS 87 H LYS 87 -14.718 -27.165 -9.841 663 HA LYS 87 HA LYS 87 -14.199 -28.907 -7.513 664 HB2 LYS 87 HB3 LYS 87 -12.831 -28.978 -10.216 665 HB3 LYS 87 HB2 LYS 87 -12.370 -29.946 -8.820 666 HG2 LYS 87 HG3 LYS 87 -14.480 -31.105 -8.870 667 HG3 LYS 87 HG2 LYS 87 -15.059 -30.061 -10.167 668 HD2 LYS 87 HD3 LYS 87 -12.689 -31.909 -10.384 669 HD3 LYS 87 HD2 LYS 87 -14.319 -32.298 -10.938 670 HE2 LYS 87 HE3 LYS 87 -14.160 -30.157 -12.328 671 HE3 LYS 87 HE2 LYS 87 -12.430 -30.211 -11.986 672 HZ1 LYS 87 HZ1 LYS 87 -14.046 -32.255 -13.405 673 HZ2 LYS 87 HZ2 LYS 87 -12.441 -32.504 -12.916 674 HZ3 LYS 87 HZ3 LYS 87 -12.801 -31.299 -14.050 675 H ARG 88 H ARG 88 -11.891 -28.699 -6.741 676 HA ARG 88 HA ARG 88 -11.274 -26.000 -6.243 677 HB2 ARG 88 HB3 ARG 88 -10.514 -28.385 -5.156 678 HB3 ARG 88 HB2 ARG 88 -9.046 -27.904 -5.994 679 HG2 ARG 88 HG3 ARG 88 -8.920 -27.110 -3.754 680 HG3 ARG 88 HG2 ARG 88 -9.171 -25.718 -4.812 681 HD2 ARG 88 HD3 ARG 88 -11.503 -25.649 -4.262 682 HD3 ARG 88 HD2 ARG 88 -11.369 -27.145 -3.335 683 HE ARG 88 HE ARG 88 -10.261 -24.528 -2.567 684 HH11 ARG 88 HH11 ARG 88 -11.120 -27.831 -1.764 685 HH12 ARG 88 HH12 ARG 88 -10.953 -27.585 -0.047 686 HH21 ARG 88 HH21 ARG 88 -9.959 -24.236 -0.334 687 HH22 ARG 88 HH22 ARG 88 -10.247 -25.556 0.760 688 H ALA 89 H ALA 89 -10.038 -24.555 -7.299 689 HA ALA 89 HA ALA 89 -9.137 -25.257 -9.942 690 HB1 ALA 89 HB1 ALA 89 -8.999 -22.633 -8.466 691 HB2 ALA 89 HB2 ALA 89 -10.291 -23.150 -9.550 692 HB3 ALA 89 HB3 ALA 89 -8.668 -22.874 -10.182 693 H VAL 90 H VAL 90 -7.143 -25.701 -10.568 694 HA VAL 90 HA VAL 90 -4.948 -25.775 -8.732 695 HB VAL 90 HB VAL 90 -4.921 -26.086 -11.743 696 HG11 VAL 90 HG11 VAL 90 -2.710 -25.636 -10.836 697 HG12 VAL 90 HG12 VAL 90 -2.827 -27.307 -11.390 698 HG13 VAL 90 HG13 VAL 90 -2.908 -26.941 -9.666 699 HG21 VAL 90 HG21 VAL 90 -6.421 -27.706 -10.740 700 HG22 VAL 90 HG22 VAL 90 -5.172 -28.180 -9.587 701 HG23 VAL 90 HG23 VAL 90 -4.954 -28.505 -11.307 702 H SER 91 H SER 91 -3.140 -24.400 -8.683 703 HA SER 91 HA SER 91 -3.542 -21.697 -9.064 704 HB2 SER 91 HB3 SER 91 -1.763 -22.612 -7.638 705 HB3 SER 91 HB2 SER 91 -0.909 -23.193 -9.066 706 HG SER 91 HG SER 91 -1.042 -20.665 -7.986 707 H ARG 92 H ARG 92 -3.306 -20.282 -10.725 708 HA ARG 92 HA ARG 92 -3.068 -21.306 -13.388 709 HB2 ARG 92 HB3 ARG 92 -3.348 -19.022 -14.123 710 HB3 ARG 92 HB2 ARG 92 -4.468 -19.328 -12.804 711 HG2 ARG 92 HG3 ARG 92 -2.876 -18.218 -11.262 712 HG3 ARG 92 HG2 ARG 92 -1.871 -17.814 -12.655 713 HD2 ARG 92 HD3 ARG 92 -3.767 -16.586 -13.633 714 HD3 ARG 92 HD2 ARG 92 -4.722 -16.947 -12.195 715 HE ARG 92 HE ARG 92 -2.184 -15.491 -11.909 716 HH11 ARG 92 HH11 ARG 92 -5.686 -15.539 -11.700 717 HH12 ARG 92 HH12 ARG 92 -5.786 -14.034 -10.843 718 HH21 ARG 92 HH21 ARG 92 -2.318 -13.512 -10.785 719 HH22 ARG 92 HH22 ARG 92 -3.869 -12.873 -10.330 720 H GLU 93 H GLU 93 -0.907 -20.375 -11.010 721 HA GLU 93 HA GLU 93 1.309 -19.700 -12.728 722 HB2 GLU 93 HB3 GLU 93 1.165 -20.402 -9.787 723 HB3 GLU 93 HB2 GLU 93 2.588 -19.773 -10.608 724 HG2 GLU 93 HG3 GLU 93 1.740 -17.665 -10.769 725 HG3 GLU 93 HG2 GLU 93 0.069 -18.222 -10.811 726 H ASP 94 H ASP 94 -0.086 -22.503 -11.249 727 HA ASP 94 HA ASP 94 2.166 -24.226 -11.914 728 HB2 ASP 94 HB3 ASP 94 -0.439 -24.607 -10.485 729 HB3 ASP 94 HB2 ASP 94 0.445 -26.003 -11.083 730 H SER 95 H SER 95 -0.452 -22.955 -13.474 731 HA SER 95 HA SER 95 -1.499 -25.120 -14.906 732 HB2 SER 95 HB3 SER 95 -2.524 -22.837 -14.709 733 HB3 SER 95 HB2 SER 95 -1.323 -22.258 -15.865 734 HG SER 95 HG SER 95 -2.341 -23.259 -17.448 735 H GLN 96 H GLN 96 -0.456 -26.420 -16.193 736 HA GLN 96 HA GLN 96 1.751 -25.383 -17.850 737 HB2 GLN 96 HB3 GLN 96 2.296 -27.163 -16.175 738 HB3 GLN 96 HB2 GLN 96 1.177 -28.234 -17.004 739 HG2 GLN 96 HG3 GLN 96 2.586 -27.959 -19.059 740 HG3 GLN 96 HG2 GLN 96 3.758 -27.106 -18.052 741 HE21 GLN 96 HE21 GLN 96 2.263 -30.163 -18.755 742 HE22 GLN 96 HE22 GLN 96 3.401 -31.149 -17.886 743 H ARG 97 H ARG 97 -1.413 -26.020 -18.009 744 HA ARG 97 HA ARG 97 -1.293 -27.161 -20.715 745 HB2 ARG 97 HB3 ARG 97 -3.541 -28.097 -20.290 746 HB3 ARG 97 HB2 ARG 97 -2.326 -28.738 -19.194 747 HG2 ARG 97 HG3 ARG 97 -3.115 -27.079 -17.492 748 HG3 ARG 97 HG2 ARG 97 -4.443 -26.690 -18.587 749 HD2 ARG 97 HD3 ARG 97 -5.174 -28.309 -16.939 750 HD3 ARG 97 HD2 ARG 97 -5.141 -29.049 -18.540 751 HE ARG 97 HE ARG 97 -2.733 -29.433 -17.000 752 HH11 ARG 97 HH11 ARG 97 -5.902 -30.703 -17.779 753 HH12 ARG 97 HH12 ARG 97 -5.516 -32.327 -17.293 754 HH21 ARG 97 HH21 ARG 97 -2.204 -31.572 -16.390 755 HH22 ARG 97 HH22 ARG 97 -3.413 -32.821 -16.494 756 H5' U 1 H5' U 1 -16.611 -30.360 -22.283 757 H5'' U 1 H5'' U 1 -17.041 -28.683 -21.915 758 H4' U 1 H4' U 1 -15.340 -29.757 -23.985 759 H3' U 1 H3' U 1 -15.052 -27.680 -22.300 760 H2' U 1 H2' U 1 -16.317 -25.917 -23.119 761 HO2' U 1 HO2' U 1 -14.702 -25.076 -24.276 762 H1' U 1 H1' U 1 -17.120 -26.701 -25.762 763 H3 U 1 H3 U 1 -21.539 -27.210 -24.908 764 H5 U 1 H5 U 1 -19.821 -26.343 -21.180 765 H6 U 1 H6 U 1 -17.660 -26.569 -22.201 766 HO5' U 1 HO5' U 1 -18.201 -29.781 -24.189 767 H5' U 2 H5' U 2 -14.260 -28.118 -20.917 768 H5'' U 2 H5'' U 2 -14.752 -26.436 -20.631 769 H4' U 2 H4' U 2 -12.628 -26.100 -19.390 770 H3' U 2 H3' U 2 -11.668 -28.444 -20.373 771 H2' U 2 H2' U 2 -13.054 -29.956 -19.147 772 HO2' U 2 HO2' U 2 -11.140 -29.141 -17.191 773 H1' U 2 H1' U 2 -13.015 -28.071 -16.731 774 H3 U 2 H3 U 2 -15.877 -30.758 -14.586 775 H5 U 2 H5 U 2 -17.494 -30.548 -18.450 776 H6 U 2 H6 U 2 -15.569 -29.262 -19.106 777 H5' A 3 H5' A 3 -10.349 -25.437 -17.692 778 H5'' A 3 H5'' A 3 -11.219 -24.200 -18.621 779 H4' A 3 H4' A 3 -9.636 -22.681 -18.285 780 H3' A 3 H3' A 3 -8.068 -24.007 -19.923 781 H2' A 3 H2' A 3 -7.502 -25.836 -18.431 782 HO2' A 3 HO2' A 3 -5.541 -23.811 -17.947 783 H1' A 3 H1' A 3 -6.901 -23.865 -16.178 784 H8 A 3 H8 A 3 -7.506 -27.362 -17.255 785 H61 A 3 H61 A 3 -8.128 -29.416 -12.896 786 H62 A 3 H62 A 3 -8.398 -28.771 -11.293 787 H2 A 3 H2 A 3 -8.385 -24.297 -11.689 788 H5' G 4 H5' G 4 -8.635 -20.895 -18.981 789 H5'' G 4 H5'' G 4 -9.029 -19.602 -20.131 790 H4' G 4 H4' G 4 -7.848 -18.089 -19.038 791 H3' G 4 H3' G 4 -5.619 -19.870 -19.327 792 H2' G 4 H2' G 4 -5.444 -20.385 -17.021 793 HO2' G 4 HO2' G 4 -4.769 -17.615 -17.112 794 H1' G 4 H1' G 4 -7.009 -17.792 -16.460 795 H8 G 4 H8 G 4 -8.218 -17.799 -14.206 796 H1 G 4 H1 G 4 -5.987 -23.638 -12.803 797 H21 G 4 H21 G 4 -4.767 -23.633 -16.049 798 H22 G 4 H22 G 4 -4.931 -24.491 -14.534 799 H5' G 5 H5' G 5 -6.739 -15.965 -18.596 800 H5'' G 5 H5'' G 5 -8.180 -16.947 -18.931 801 H4' G 5 H4' G 5 -8.656 -14.732 -20.433 802 H3' G 5 H3' G 5 -6.763 -13.817 -18.409 803 H2' G 5 H2' G 5 -8.207 -12.375 -17.213 804 HO2' G 5 HO2' G 5 -10.183 -11.662 -18.114 805 H1' G 5 H1' G 5 -10.532 -13.845 -17.224 806 H8 G 5 H8 G 5 -7.771 -16.357 -17.177 807 H1 G 5 H1 G 5 -9.064 -13.891 -11.408 808 H21 G 5 H21 G 5 -10.954 -11.574 -13.158 809 H22 G 5 H22 G 5 -10.389 -12.147 -11.603 810 H5' U 6 H5' U 6 -4.126 -14.667 -20.446 811 H5'' U 6 H5'' U 6 -4.852 -14.013 -18.964 812 H4' U 6 H4' U 6 -2.456 -12.727 -20.224 813 H3' U 6 H3' U 6 -1.992 -15.243 -19.613 814 H2' U 6 H2' U 6 -3.129 -15.266 -17.463 815 HO2' U 6 HO2' U 6 -1.351 -15.995 -16.552 816 H1' U 6 H1' U 6 -1.739 -12.660 -16.680 817 H3 U 6 H3 U 6 -4.211 -12.000 -13.065 818 H5 U 6 H5 U 6 -6.829 -14.141 -15.551 819 H6 U 6 H6 U 6 -5.075 -14.230 -17.195 820 H5' C 7 H5' C 7 2.727 -12.138 -18.970 821 H5'' C 7 H5'' C 7 1.370 -13.078 -18.323 822 H4' C 7 H4' C 7 1.664 -10.521 -17.795 823 H3' C 7 H3' C 7 -0.912 -12.014 -18.197 824 HO3' C 7 HO3' C 7 -0.980 -11.230 -15.957 825 H2' C 7 H2' C 7 -2.121 -9.982 -18.084 826 HO2' C 7 HO2' C 7 -0.027 -8.333 -17.340 827 H1' C 7 H1' C 7 -0.102 -8.322 -19.273 828 H41 C 7 H41 C 7 -4.552 -10.296 -23.753 829 H42 C 7 H42 C 7 -3.813 -8.831 -24.359 830 H5 C 7 H5 C 7 -3.869 -11.348 -21.674 831 H6 C 7 H6 C 7 -2.343 -11.207 -19.778 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 4.305 -30.123 -2.584 2 H2 ALA 1 H2 ALA 1 4.581 -29.330 -1.109 3 H3 ALA 1 H3 ALA 1 5.775 -30.340 -1.765 4 HA ALA 1 HA ALA 1 6.084 -28.867 -3.620 5 HB1 ALA 1 HB1 ALA 1 4.948 -26.715 -3.698 6 HB2 ALA 1 HB2 ALA 1 4.035 -27.131 -2.246 7 HB3 ALA 1 HB3 ALA 1 3.783 -28.039 -3.738 8 H SER 2 H SER 2 7.201 -26.653 -3.406 9 HA SER 2 HA SER 2 8.886 -26.759 -1.073 10 HB2 SER 2 HB3 SER 2 8.847 -24.726 -3.318 11 HB3 SER 2 HB2 SER 2 10.158 -25.000 -2.169 12 HG SER 2 HG SER 2 9.921 -26.120 -4.480 13 H LYS 3 H LYS 3 6.367 -24.671 -2.363 14 HA LYS 3 HA LYS 3 6.417 -23.045 0.058 15 HB2 LYS 3 HB3 LYS 3 4.650 -21.722 -1.037 16 HB3 LYS 3 HB2 LYS 3 6.079 -21.862 -2.050 17 HG2 LYS 3 HG3 LYS 3 4.985 -23.593 -3.372 18 HG3 LYS 3 HG2 LYS 3 3.553 -23.474 -2.347 19 HD2 LYS 3 HD3 LYS 3 3.260 -21.139 -3.027 20 HD3 LYS 3 HD2 LYS 3 4.699 -21.254 -4.044 21 HE2 LYS 3 HE3 LYS 3 2.743 -21.510 -5.421 22 HE3 LYS 3 HE2 LYS 3 3.591 -23.052 -5.333 23 HZ1 LYS 3 HZ1 LYS 3 1.038 -22.270 -4.081 24 HZ2 LYS 3 HZ2 LYS 3 1.958 -23.526 -3.413 25 HZ3 LYS 3 HZ3 LYS 3 1.399 -23.642 -5.013 26 H SER 4 H SER 4 4.531 -22.841 1.396 27 HA SER 4 HA SER 4 2.978 -25.347 1.433 28 HB2 SER 4 HB3 SER 4 3.809 -23.604 3.767 29 HB3 SER 4 HB2 SER 4 2.908 -25.118 3.872 30 HG SER 4 HG SER 4 5.604 -24.701 3.098 31 H GLU 5 H GLU 5 2.530 -22.517 0.306 32 HA GLU 5 HA GLU 5 0.893 -20.971 0.092 33 HB2 GLU 5 HB3 GLU 5 -0.783 -23.364 0.848 34 HB3 GLU 5 HB2 GLU 5 -1.462 -21.840 0.305 35 HG2 GLU 5 HG3 GLU 5 -1.458 -23.159 -1.597 36 HG3 GLU 5 HG2 GLU 5 -0.022 -22.156 -1.785 37 H SER 6 H SER 6 1.692 -19.720 1.861 38 HA SER 6 HA SER 6 -0.198 -19.695 4.114 39 HB2 SER 6 HB3 SER 6 2.784 -19.224 4.334 40 HB3 SER 6 HB2 SER 6 1.619 -19.184 5.659 41 HG SER 6 HG SER 6 1.175 -21.475 4.693 42 HA PRO 7 HA PRO 7 0.261 -15.387 2.543 43 HB2 PRO 7 HB3 PRO 7 -1.718 -15.230 0.738 44 HB3 PRO 7 HB2 PRO 7 -0.157 -15.949 0.331 45 HG2 PRO 7 HG3 PRO 7 -2.766 -17.245 0.689 46 HG3 PRO 7 HG2 PRO 7 -1.314 -17.855 -0.119 47 HD2 PRO 7 HD3 PRO 7 -2.254 -18.361 2.595 48 HD3 PRO 7 HD2 PRO 7 -0.942 -19.158 1.701 49 H LYS 8 H LYS 8 -2.075 -13.950 1.963 50 HA LYS 8 HA LYS 8 -3.567 -14.173 4.471 51 HB2 LYS 8 HB3 LYS 8 -3.284 -11.964 2.443 52 HB3 LYS 8 HB2 LYS 8 -4.544 -11.932 3.665 53 HG2 LYS 8 HG3 LYS 8 -1.714 -12.313 4.514 54 HG3 LYS 8 HG2 LYS 8 -2.267 -10.706 4.043 55 HD2 LYS 8 HD3 LYS 8 -2.508 -10.908 6.418 56 HD3 LYS 8 HD2 LYS 8 -4.117 -10.929 5.703 57 HE2 LYS 8 HE3 LYS 8 -3.991 -12.587 7.445 58 HE3 LYS 8 HE2 LYS 8 -4.128 -13.393 5.888 59 HZ1 LYS 8 HZ1 LYS 8 -1.634 -13.612 5.964 60 HZ2 LYS 8 HZ2 LYS 8 -2.483 -14.535 7.107 61 HZ3 LYS 8 HZ3 LYS 8 -1.718 -13.100 7.579 62 H GLU 9 H GLU 9 -3.903 -14.333 1.007 63 HA GLU 9 HA GLU 9 -6.437 -15.698 1.354 64 HB2 GLU 9 HB3 GLU 9 -7.419 -14.384 -0.562 65 HB3 GLU 9 HB2 GLU 9 -7.242 -13.497 0.945 66 HG2 GLU 9 HG3 GLU 9 -5.483 -12.214 0.128 67 HG3 GLU 9 HG2 GLU 9 -5.145 -13.342 -1.185 68 HA PRO 10 HA PRO 10 -3.986 -17.959 -1.722 69 HB2 PRO 10 HB3 PRO 10 -5.549 -20.270 -0.959 70 HB3 PRO 10 HB2 PRO 10 -3.826 -19.982 -0.715 71 HG2 PRO 10 HG3 PRO 10 -5.671 -20.085 1.310 72 HG3 PRO 10 HG2 PRO 10 -4.130 -19.216 1.410 73 HD2 PRO 10 HD3 PRO 10 -6.880 -18.160 0.915 74 HD3 PRO 10 HD2 PRO 10 -5.542 -17.441 1.836 75 H GLU 11 H GLU 11 -4.849 -17.225 -3.629 76 HA GLU 11 HA GLU 11 -7.617 -17.252 -4.197 77 HB2 GLU 11 HB3 GLU 11 -5.928 -15.758 -5.304 78 HB3 GLU 11 HB2 GLU 11 -5.372 -17.153 -6.221 79 HG2 GLU 11 HG3 GLU 11 -7.605 -17.392 -7.200 80 HG3 GLU 11 HG2 GLU 11 -8.143 -15.979 -6.295 81 H GLN 12 H GLN 12 -5.007 -19.480 -4.990 82 HA GLN 12 HA GLN 12 -6.322 -21.225 -6.695 83 HB2 GLN 12 HB3 GLN 12 -4.045 -21.655 -6.412 84 HB3 GLN 12 HB2 GLN 12 -4.148 -21.577 -4.659 85 HG2 GLN 12 HG3 GLN 12 -5.342 -23.702 -4.636 86 HG3 GLN 12 HG2 GLN 12 -5.238 -23.786 -6.383 87 HE21 GLN 12 HE21 GLN 12 -4.114 -25.701 -6.331 88 HE22 GLN 12 HE22 GLN 12 -2.448 -25.789 -5.864 89 H LEU 13 H LEU 13 -6.114 -21.379 -3.165 90 HA LEU 13 HA LEU 13 -7.664 -23.740 -2.963 91 HB2 LEU 13 HB3 LEU 13 -5.974 -23.264 -1.366 92 HB3 LEU 13 HB2 LEU 13 -6.678 -21.708 -0.980 93 HG LEU 13 HG LEU 13 -8.324 -24.124 -0.421 94 HD11 LEU 13 HD11 LEU 13 -6.110 -24.782 0.376 95 HD12 LEU 13 HD12 LEU 13 -7.193 -24.446 1.729 96 HD13 LEU 13 HD13 LEU 13 -5.970 -23.262 1.262 97 HD21 LEU 13 HD21 LEU 13 -7.805 -21.544 1.063 98 HD22 LEU 13 HD22 LEU 13 -8.991 -22.773 1.505 99 HD23 LEU 13 HD23 LEU 13 -9.180 -21.865 0.005 100 H ARG 14 H ARG 14 -8.475 -20.394 -3.108 101 HA ARG 14 HA ARG 14 -11.154 -20.883 -2.026 102 HB2 ARG 14 HB3 ARG 14 -9.794 -18.304 -2.809 103 HB3 ARG 14 HB2 ARG 14 -11.396 -18.429 -2.103 104 HG2 ARG 14 HG3 ARG 14 -10.462 -19.326 -0.060 105 HG3 ARG 14 HG2 ARG 14 -8.845 -19.309 -0.773 106 HD2 ARG 14 HD3 ARG 14 -10.602 -16.940 -0.174 107 HD3 ARG 14 HD2 ARG 14 -9.088 -17.375 0.624 108 HE ARG 14 HE ARG 14 -8.116 -17.044 -1.728 109 HH11 ARG 14 HH11 ARG 14 -10.739 -15.180 -0.349 110 HH12 ARG 14 HH12 ARG 14 -10.420 -13.776 -1.320 111 HH21 ARG 14 HH21 ARG 14 -7.704 -15.194 -3.016 112 HH22 ARG 14 HH22 ARG 14 -8.692 -13.784 -2.828 113 H LYS 15 H LYS 15 -9.592 -20.899 -4.969 114 HA LYS 15 HA LYS 15 -11.810 -19.782 -6.476 115 HB2 LYS 15 HB3 LYS 15 -9.410 -19.407 -7.153 116 HB3 LYS 15 HB2 LYS 15 -9.336 -21.111 -7.578 117 HG2 LYS 15 HG3 LYS 15 -11.233 -20.716 -9.158 118 HG3 LYS 15 HG2 LYS 15 -11.071 -18.992 -8.820 119 HD2 LYS 15 HD3 LYS 15 -8.930 -20.782 -9.967 120 HD3 LYS 15 HD2 LYS 15 -9.894 -19.615 -10.871 121 HE2 LYS 15 HE3 LYS 15 -8.018 -18.950 -8.607 122 HE3 LYS 15 HE2 LYS 15 -7.643 -18.775 -10.319 123 HZ1 LYS 15 HZ1 LYS 15 -9.506 -17.192 -10.477 124 HZ2 LYS 15 HZ2 LYS 15 -8.293 -16.667 -9.425 125 HZ3 LYS 15 HZ3 LYS 15 -9.737 -17.305 -8.804 126 H LEU 16 H LEU 16 -13.278 -20.884 -7.550 127 HA LEU 16 HA LEU 16 -13.246 -23.811 -7.324 128 HB2 LEU 16 HB3 LEU 16 -15.148 -22.105 -6.531 129 HB3 LEU 16 HB2 LEU 16 -15.635 -22.269 -8.205 130 HG LEU 16 HG LEU 16 -16.021 -24.613 -7.967 131 HD11 LEU 16 HD11 LEU 16 -14.805 -24.301 -5.231 132 HD12 LEU 16 HD12 LEU 16 -14.164 -25.238 -6.580 133 HD13 LEU 16 HD13 LEU 16 -15.657 -25.742 -5.786 134 HD21 LEU 16 HD21 LEU 16 -17.792 -23.123 -7.171 135 HD22 LEU 16 HD22 LEU 16 -17.089 -23.155 -5.553 136 HD23 LEU 16 HD23 LEU 16 -17.754 -24.629 -6.254 137 H PHE 17 H PHE 17 -12.943 -24.973 -9.086 138 HA PHE 17 HA PHE 17 -12.810 -23.717 -11.699 139 HB2 PHE 17 HB3 PHE 17 -11.086 -25.339 -11.049 140 HB3 PHE 17 HB2 PHE 17 -12.317 -26.572 -10.813 141 HD1 PHE 17 HD1 PHE 17 -12.042 -28.208 -12.407 142 HD2 PHE 17 HD2 PHE 17 -11.715 -24.129 -13.559 143 HE1 PHE 17 HE1 PHE 17 -11.770 -28.896 -14.754 144 HE2 PHE 17 HE2 PHE 17 -11.441 -24.805 -15.906 145 HZ PHE 17 HZ PHE 17 -11.461 -27.189 -16.507 146 H ILE 18 H ILE 18 -14.606 -23.500 -12.859 147 HA ILE 18 HA ILE 18 -16.814 -25.388 -12.365 148 HB ILE 18 HB ILE 18 -17.109 -22.723 -13.729 149 HG12 ILE 18 HG12 ILE 18 -16.134 -22.190 -11.585 150 HG13 ILE 18 HG13 ILE 18 -17.851 -21.809 -11.533 151 HG21 ILE 18 HG21 ILE 18 -18.929 -24.314 -13.984 152 HG22 ILE 18 HG22 ILE 18 -19.433 -22.946 -12.989 153 HG23 ILE 18 HG23 ILE 18 -19.039 -24.490 -12.232 154 HD11 ILE 18 HD11 ILE 18 -18.249 -23.930 -10.348 155 HD12 ILE 18 HD12 ILE 18 -17.177 -22.830 -9.473 156 HD13 ILE 18 HD13 ILE 18 -16.506 -24.216 -10.337 157 H GLY 19 H GLY 19 -16.581 -26.969 -13.872 158 HA2 GLY 19 HA3 GLY 19 -16.236 -26.054 -16.659 159 HA3 GLY 19 HA2 GLY 19 -15.639 -27.594 -16.063 160 H GLY 20 H GLY 20 -17.468 -26.996 -18.279 161 HA2 GLY 20 HA3 GLY 20 -19.079 -28.460 -19.155 162 HA3 GLY 20 HA2 GLY 20 -19.482 -28.967 -17.523 163 H LEU 21 H LEU 21 -19.268 -25.586 -18.336 164 HA LEU 21 HA LEU 21 -22.137 -25.375 -17.823 165 HB2 LEU 21 HB3 LEU 21 -21.601 -22.888 -17.654 166 HB3 LEU 21 HB2 LEU 21 -21.016 -23.936 -16.383 167 HG LEU 21 HG LEU 21 -18.806 -23.935 -17.801 168 HD11 LEU 21 HD11 LEU 21 -18.388 -21.976 -19.048 169 HD12 LEU 21 HD12 LEU 21 -19.913 -21.251 -18.551 170 HD13 LEU 21 HD13 LEU 21 -19.913 -22.628 -19.652 171 HD21 LEU 21 HD21 LEU 21 -18.039 -22.006 -16.500 172 HD22 LEU 21 HD22 LEU 21 -19.015 -23.110 -15.529 173 HD23 LEU 21 HD23 LEU 21 -19.715 -21.603 -16.122 174 H SER 22 H SER 22 -23.253 -23.547 -19.046 175 HA SER 22 HA SER 22 -23.209 -24.327 -21.782 176 HB2 SER 22 HB3 SER 22 -24.765 -22.142 -20.384 177 HB3 SER 22 HB2 SER 22 -25.071 -22.721 -22.020 178 HG SER 22 HG SER 22 -26.275 -23.628 -20.052 179 H PHE 23 H PHE 23 -23.302 -22.616 -23.539 180 HA PHE 23 HA PHE 23 -20.797 -21.178 -23.401 181 HB2 PHE 23 HB3 PHE 23 -22.778 -21.464 -25.672 182 HB3 PHE 23 HB2 PHE 23 -21.169 -20.757 -25.801 183 HD1 PHE 23 HD1 PHE 23 -23.097 -23.784 -25.788 184 HD2 PHE 23 HD2 PHE 23 -19.169 -22.205 -25.369 185 HE1 PHE 23 HE1 PHE 23 -22.156 -26.022 -26.205 186 HE2 PHE 23 HE2 PHE 23 -18.221 -24.436 -25.788 187 HZ PHE 23 HZ PHE 23 -19.713 -26.349 -26.203 188 H GLU 24 H GLU 24 -23.968 -20.497 -22.666 189 HA GLU 24 HA GLU 24 -23.746 -17.647 -23.253 190 HB2 GLU 24 HB3 GLU 24 -25.987 -19.101 -21.844 191 HB3 GLU 24 HB2 GLU 24 -26.031 -17.475 -22.512 192 HG2 GLU 24 HG3 GLU 24 -25.613 -18.525 -24.766 193 HG3 GLU 24 HG2 GLU 24 -25.908 -20.079 -23.985 194 H THR 25 H THR 25 -22.938 -19.816 -20.844 195 HA THR 25 HA THR 25 -23.270 -18.136 -18.561 196 HB THR 25 HB THR 25 -21.420 -20.491 -18.964 197 HG1 THR 25 HG1 THR 25 -24.130 -20.228 -18.254 198 HG21 THR 25 HG21 THR 25 -20.737 -19.096 -17.076 199 HG22 THR 25 HG22 THR 25 -21.418 -20.623 -16.508 200 HG23 THR 25 HG23 THR 25 -22.381 -19.147 -16.432 201 H THR 26 H THR 26 -22.302 -16.213 -18.569 202 HA THR 26 HA THR 26 -19.446 -16.108 -19.251 203 HB THR 26 HB THR 26 -20.891 -14.805 -20.817 204 HG1 THR 26 HG1 THR 26 -19.279 -13.455 -20.981 205 HG21 THR 26 HG21 THR 26 -22.638 -14.117 -19.268 206 HG22 THR 26 HG22 THR 26 -21.903 -12.710 -20.035 207 HG23 THR 26 HG23 THR 26 -21.479 -13.129 -18.376 208 H ASP 27 H ASP 27 -18.661 -13.822 -18.144 209 HA ASP 27 HA ASP 27 -18.098 -14.488 -15.546 210 HB2 ASP 27 HB3 ASP 27 -16.832 -12.824 -16.738 211 HB3 ASP 27 HB2 ASP 27 -18.215 -11.741 -16.789 212 H GLU 28 H GLU 28 -20.527 -12.067 -16.538 213 HA GLU 28 HA GLU 28 -21.410 -11.551 -13.914 214 HB2 GLU 28 HB3 GLU 28 -23.324 -10.429 -14.955 215 HB3 GLU 28 HB2 GLU 28 -21.805 -9.972 -15.710 216 HG2 GLU 28 HG3 GLU 28 -22.256 -11.414 -17.590 217 HG3 GLU 28 HG2 GLU 28 -23.725 -12.009 -16.817 218 H SER 29 H SER 29 -22.430 -13.970 -16.282 219 HA SER 29 HA SER 29 -24.771 -14.586 -14.680 220 HB2 SER 29 HB3 SER 29 -24.925 -16.448 -16.554 221 HB3 SER 29 HB2 SER 29 -25.391 -14.779 -16.877 222 HG SER 29 HG SER 29 -24.036 -15.083 -18.479 223 H LEU 30 H LEU 30 -21.529 -15.593 -14.903 224 HA LEU 30 HA LEU 30 -21.980 -18.193 -13.727 225 HB2 LEU 30 HB3 LEU 30 -19.970 -17.800 -15.077 226 HB3 LEU 30 HB2 LEU 30 -19.452 -16.548 -13.961 227 HG LEU 30 HG LEU 30 -19.453 -18.377 -12.169 228 HD11 LEU 30 HD11 LEU 30 -19.472 -20.115 -14.628 229 HD12 LEU 30 HD12 LEU 30 -20.732 -20.032 -13.396 230 HD13 LEU 30 HD13 LEU 30 -19.134 -20.652 -12.982 231 HD21 LEU 30 HD21 LEU 30 -17.428 -17.375 -13.150 232 HD22 LEU 30 HD22 LEU 30 -17.446 -18.617 -14.403 233 HD23 LEU 30 HD23 LEU 30 -17.217 -19.069 -12.711 234 H ARG 31 H ARG 31 -20.760 -15.042 -12.637 235 HA ARG 31 HA ARG 31 -20.303 -15.880 -9.994 236 HB2 ARG 31 HB3 ARG 31 -19.665 -13.724 -9.524 237 HB3 ARG 31 HB2 ARG 31 -19.451 -13.758 -11.265 238 HG2 ARG 31 HG3 ARG 31 -21.652 -12.670 -11.519 239 HG3 ARG 31 HG2 ARG 31 -21.768 -12.582 -9.756 240 HD2 ARG 31 HD3 ARG 31 -19.801 -11.194 -9.653 241 HD3 ARG 31 HD2 ARG 31 -19.554 -11.354 -11.391 242 HE ARG 31 HE ARG 31 -21.762 -10.166 -11.602 243 HH11 ARG 31 HH11 ARG 31 -19.732 -9.753 -8.779 244 HH12 ARG 31 HH12 ARG 31 -20.285 -8.136 -8.464 245 HH21 ARG 31 HH21 ARG 31 -22.497 -8.064 -11.197 246 HH22 ARG 31 HH22 ARG 31 -21.873 -7.172 -9.832 247 H SER 32 H SER 32 -23.151 -14.474 -11.552 248 HA SER 32 HA SER 32 -24.592 -13.902 -9.219 249 HB2 SER 32 HB3 SER 32 -25.643 -14.733 -11.937 250 HB3 SER 32 HB2 SER 32 -26.594 -13.969 -10.663 251 HG SER 32 HG SER 32 -24.735 -12.874 -12.403 252 H HIS 33 H HIS 33 -24.139 -16.912 -10.969 253 HA HIS 33 HA HIS 33 -26.111 -18.262 -9.324 254 HB2 HIS 33 HB3 HIS 33 -24.481 -19.046 -11.708 255 HB3 HIS 33 HB2 HIS 33 -25.229 -20.288 -10.708 256 HD2 HIS 33 HD2 HIS 33 -27.925 -20.590 -10.979 257 HE1 HIS 33 HE1 HIS 33 -28.428 -17.521 -13.840 258 HE2 HIS 33 HE2 HIS 33 -29.603 -19.316 -12.494 259 H PHE 34 H PHE 34 -22.892 -17.461 -8.959 260 HA PHE 34 HA PHE 34 -22.544 -19.755 -7.149 261 HB2 PHE 34 HB3 PHE 34 -20.552 -18.272 -8.809 262 HB3 PHE 34 HB2 PHE 34 -20.033 -19.076 -7.331 263 HD1 PHE 34 HD1 PHE 34 -20.040 -21.472 -7.148 264 HD2 PHE 34 HD2 PHE 34 -21.347 -19.558 -10.715 265 HE1 PHE 34 HE1 PHE 34 -19.926 -23.621 -8.339 266 HE2 PHE 34 HE2 PHE 34 -21.233 -21.702 -11.912 267 HZ PHE 34 HZ PHE 34 -20.524 -23.745 -10.727 268 H GLU 35 H GLU 35 -22.833 -16.339 -7.281 269 HA GLU 35 HA GLU 35 -21.600 -15.810 -4.751 270 HB2 GLU 35 HB3 GLU 35 -23.532 -14.208 -6.416 271 HB3 GLU 35 HB2 GLU 35 -22.906 -13.646 -4.875 272 HG2 GLU 35 HG3 GLU 35 -20.605 -13.880 -5.823 273 HG3 GLU 35 HG2 GLU 35 -21.354 -14.207 -7.385 274 H GLN 36 H GLN 36 -24.017 -17.748 -5.309 275 HA GLN 36 HA GLN 36 -25.974 -16.775 -3.424 276 HB2 GLN 36 HB3 GLN 36 -25.719 -19.207 -5.156 277 HB3 GLN 36 HB2 GLN 36 -26.931 -19.136 -3.883 278 HG2 GLN 36 HG3 GLN 36 -28.049 -17.335 -4.902 279 HG3 GLN 36 HG2 GLN 36 -26.688 -16.984 -5.962 280 HE21 GLN 36 HE21 GLN 36 -26.239 -19.741 -6.696 281 HE22 GLN 36 HE22 GLN 36 -27.524 -20.182 -7.769 282 H TRP 37 H TRP 37 -23.269 -18.967 -3.448 283 HA TRP 37 HA TRP 37 -23.965 -19.835 -0.727 284 HB2 TRP 37 HB3 TRP 37 -22.081 -21.089 -2.740 285 HB3 TRP 37 HB2 TRP 37 -22.315 -21.667 -1.093 286 HD1 TRP 37 HD1 TRP 37 -24.465 -23.105 -0.599 287 HE1 TRP 37 HE1 TRP 37 -26.302 -24.123 -2.067 288 HE3 TRP 37 HE3 TRP 37 -23.439 -20.656 -4.956 289 HZ2 TRP 37 HZ2 TRP 37 -27.193 -23.924 -4.731 290 HZ3 TRP 37 HZ3 TRP 37 -24.832 -21.138 -6.919 291 HH2 TRP 37 HH2 TRP 37 -26.668 -22.736 -6.812 292 H GLY 38 H GLY 38 -22.462 -17.373 -1.958 293 HA2 GLY 38 HA3 GLY 38 -20.992 -16.659 0.229 294 HA3 GLY 38 HA2 GLY 38 -19.856 -17.570 -0.752 295 H THR 39 H THR 39 -18.618 -15.630 -0.850 296 HA THR 39 HA THR 39 -19.700 -13.592 -2.687 297 HB THR 39 HB THR 39 -17.654 -13.378 -0.476 298 HG1 THR 39 HG1 THR 39 -19.175 -12.237 0.546 299 HG21 THR 39 HG21 THR 39 -18.418 -11.307 -2.531 300 HG22 THR 39 HG22 THR 39 -16.844 -12.081 -2.356 301 HG23 THR 39 HG23 THR 39 -17.441 -11.001 -1.095 302 H LEU 40 H LEU 40 -18.787 -13.605 -4.684 303 HA LEU 40 HA LEU 40 -16.245 -14.985 -5.025 304 HB2 LEU 40 HB3 LEU 40 -18.020 -13.782 -7.142 305 HB3 LEU 40 HB2 LEU 40 -16.672 -14.873 -7.397 306 HG LEU 40 HG LEU 40 -19.147 -15.618 -5.881 307 HD11 LEU 40 HD11 LEU 40 -18.417 -16.113 -8.736 308 HD12 LEU 40 HD12 LEU 40 -19.795 -15.201 -8.127 309 HD13 LEU 40 HD13 LEU 40 -19.710 -16.944 -7.879 310 HD21 LEU 40 HD21 LEU 40 -17.363 -16.964 -5.175 311 HD22 LEU 40 HD22 LEU 40 -16.746 -17.131 -6.815 312 HD23 LEU 40 HD23 LEU 40 -18.256 -17.923 -6.358 313 H THR 41 H THR 41 -14.644 -13.759 -4.407 314 HA THR 41 HA THR 41 -14.548 -10.924 -4.786 315 HB THR 41 HB THR 41 -12.241 -11.152 -3.863 316 HG1 THR 41 HG1 THR 41 -12.624 -13.819 -3.203 317 HG21 THR 41 HG21 THR 41 -14.366 -12.661 -2.335 318 HG22 THR 41 HG22 THR 41 -14.170 -10.908 -2.362 319 HG23 THR 41 HG23 THR 41 -12.921 -11.924 -1.642 320 H ASP 42 H ASP 42 -13.653 -13.697 -6.565 321 HA ASP 42 HA ASP 42 -12.552 -12.025 -8.688 322 HB2 ASP 42 HB3 ASP 42 -10.590 -12.828 -7.507 323 HB3 ASP 42 HB2 ASP 42 -11.179 -14.474 -7.571 324 H CYS 43 H CYS 43 -14.129 -12.394 -10.135 325 HA CYS 43 HA CYS 43 -14.763 -15.201 -10.705 326 HB2 CYS 43 HB3 CYS 43 -16.868 -14.343 -11.715 327 HB3 CYS 43 HB2 CYS 43 -16.733 -13.956 -10.003 328 HG CYS 43 HG CYS 43 -16.565 -11.874 -12.685 329 H VAL 44 H VAL 44 -14.678 -15.922 -12.847 330 HA VAL 44 HA VAL 44 -14.217 -14.150 -15.028 331 HB VAL 44 HB VAL 44 -11.982 -14.011 -14.018 332 HG11 VAL 44 HG11 VAL 44 -11.861 -16.993 -14.442 333 HG12 VAL 44 HG12 VAL 44 -11.909 -16.161 -12.889 334 HG13 VAL 44 HG13 VAL 44 -10.512 -15.968 -13.948 335 HG21 VAL 44 HG21 VAL 44 -10.674 -14.624 -15.997 336 HG22 VAL 44 HG22 VAL 44 -12.185 -13.823 -16.430 337 HG23 VAL 44 HG23 VAL 44 -12.035 -15.572 -16.596 338 H VAL 45 H VAL 45 -14.574 -15.145 -16.947 339 HA VAL 45 HA VAL 45 -14.692 -18.086 -16.948 340 HB VAL 45 HB VAL 45 -16.472 -17.972 -18.633 341 HG11 VAL 45 HG11 VAL 45 -17.086 -16.438 -16.115 342 HG12 VAL 45 HG12 VAL 45 -17.101 -18.192 -16.308 343 HG13 VAL 45 HG13 VAL 45 -18.283 -17.200 -17.162 344 HG21 VAL 45 HG21 VAL 45 -17.622 -15.857 -19.098 345 HG22 VAL 45 HG22 VAL 45 -15.940 -15.814 -19.629 346 HG23 VAL 45 HG23 VAL 45 -16.416 -14.994 -18.142 347 H MET 46 H MET 46 -13.974 -19.102 -18.878 348 HA MET 46 HA MET 46 -12.177 -17.446 -20.462 349 HB2 MET 46 HB3 MET 46 -12.678 -20.431 -20.625 350 HB3 MET 46 HB2 MET 46 -11.383 -19.549 -21.421 351 HG2 MET 46 HG3 MET 46 -11.756 -19.911 -18.460 352 HG3 MET 46 HG2 MET 46 -10.541 -20.687 -19.474 353 HE1 MET 46 HE1 MET 46 -8.933 -19.824 -17.468 354 HE2 MET 46 HE2 MET 46 -10.188 -18.836 -16.716 355 HE3 MET 46 HE3 MET 46 -8.632 -18.116 -17.134 356 H ARG 47 H ARG 47 -12.546 -16.934 -22.613 357 HA ARG 47 HA ARG 47 -15.272 -17.591 -23.509 358 HB2 ARG 47 HB3 ARG 47 -13.603 -15.153 -24.179 359 HB3 ARG 47 HB2 ARG 47 -15.175 -15.509 -24.875 360 HG2 ARG 47 HG3 ARG 47 -15.736 -14.005 -23.252 361 HG3 ARG 47 HG2 ARG 47 -15.955 -15.523 -22.383 362 HD2 ARG 47 HD3 ARG 47 -13.802 -15.274 -21.322 363 HD3 ARG 47 HD2 ARG 47 -13.459 -13.834 -22.281 364 HE ARG 47 HE ARG 47 -15.837 -13.396 -20.883 365 HH11 ARG 47 HH11 ARG 47 -12.420 -13.783 -20.231 366 HH12 ARG 47 HH12 ARG 47 -12.465 -12.842 -18.774 367 HH21 ARG 47 HH21 ARG 47 -15.908 -12.179 -18.960 368 HH22 ARG 47 HH22 ARG 47 -14.458 -11.984 -18.010 369 H ASP 48 H ASP 48 -15.660 -17.951 -25.701 370 HA ASP 48 HA ASP 48 -13.739 -19.504 -27.059 371 HB2 ASP 48 HB3 ASP 48 -16.328 -19.474 -27.303 372 HB3 ASP 48 HB2 ASP 48 -16.048 -18.140 -28.416 373 HA PRO 49 HA PRO 49 -11.293 -16.343 -28.995 374 HB2 PRO 49 HB3 PRO 49 -10.575 -17.746 -31.257 375 HB3 PRO 49 HB2 PRO 49 -9.773 -17.896 -29.690 376 HG2 PRO 49 HG3 PRO 49 -11.846 -19.648 -30.936 377 HG3 PRO 49 HG2 PRO 49 -10.418 -20.097 -29.986 378 HD2 PRO 49 HD3 PRO 49 -12.892 -20.096 -28.927 379 HD3 PRO 49 HD2 PRO 49 -11.462 -19.647 -27.972 380 H ASN 50 H ASN 50 -13.919 -17.975 -30.602 381 HA ASN 50 HA ASN 50 -14.006 -15.959 -32.730 382 HB2 ASN 50 HB3 ASN 50 -15.851 -18.327 -32.469 383 HB3 ASN 50 HB2 ASN 50 -15.442 -17.416 -33.917 384 HD21 ASN 50 HD21 ASN 50 -14.425 -19.820 -31.646 385 HD22 ASN 50 HD22 ASN 50 -13.136 -20.480 -32.620 386 H THR 51 H THR 51 -16.329 -17.620 -30.601 387 HA THR 51 HA THR 51 -18.387 -15.739 -31.121 388 HB THR 51 HB THR 51 -19.727 -16.938 -29.565 389 HG1 THR 51 HG1 THR 51 -18.762 -18.417 -28.058 390 HG21 THR 51 HG21 THR 51 -19.179 -18.205 -31.588 391 HG22 THR 51 HG22 THR 51 -19.390 -19.279 -30.206 392 HG23 THR 51 HG23 THR 51 -17.767 -18.891 -30.783 393 H LYS 52 H LYS 52 -15.940 -16.064 -28.674 394 HA LYS 52 HA LYS 52 -15.222 -14.755 -26.978 395 HB2 LYS 52 HB3 LYS 52 -16.984 -12.611 -28.181 396 HB3 LYS 52 HB2 LYS 52 -15.690 -12.362 -27.019 397 HG2 LYS 52 HG3 LYS 52 -15.317 -13.427 -29.799 398 HG3 LYS 52 HG2 LYS 52 -15.053 -11.756 -29.294 399 HD2 LYS 52 HD3 LYS 52 -13.534 -12.946 -27.478 400 HD3 LYS 52 HD2 LYS 52 -13.453 -14.189 -28.730 401 HE2 LYS 52 HE3 LYS 52 -12.826 -11.278 -29.106 402 HE3 LYS 52 HE2 LYS 52 -11.626 -12.553 -28.900 403 HZ1 LYS 52 HZ1 LYS 52 -12.485 -13.589 -30.943 404 HZ2 LYS 52 HZ2 LYS 52 -11.878 -12.031 -31.222 405 HZ3 LYS 52 HZ3 LYS 52 -13.553 -12.287 -31.151 406 H ARG 53 H ARG 53 -17.782 -16.331 -26.854 407 HA ARG 53 HA ARG 53 -19.204 -14.815 -24.776 408 HB2 ARG 53 HB3 ARG 53 -19.972 -17.031 -26.589 409 HB3 ARG 53 HB2 ARG 53 -20.668 -17.073 -24.976 410 HG2 ARG 53 HG3 ARG 53 -22.192 -15.964 -26.444 411 HG3 ARG 53 HG2 ARG 53 -21.516 -14.768 -25.337 412 HD2 ARG 53 HD3 ARG 53 -19.929 -14.084 -27.078 413 HD3 ARG 53 HD2 ARG 53 -20.643 -15.261 -28.179 414 HE ARG 53 HE ARG 53 -22.374 -13.185 -27.039 415 HH11 ARG 53 HH11 ARG 53 -20.674 -14.514 -29.786 416 HH12 ARG 53 HH12 ARG 53 -21.528 -13.555 -30.955 417 HH21 ARG 53 HH21 ARG 53 -23.496 -11.903 -28.557 418 HH22 ARG 53 HH22 ARG 53 -23.124 -12.042 -30.250 419 H SER 54 H SER 54 -18.626 -18.308 -25.108 420 HA SER 54 HA SER 54 -17.121 -18.286 -22.620 421 HB2 SER 54 HB3 SER 54 -19.500 -18.519 -21.946 422 HB3 SER 54 HB2 SER 54 -19.619 -19.964 -22.946 423 HG SER 54 HG SER 54 -18.919 -19.885 -20.466 424 H ARG 55 H ARG 55 -15.917 -20.148 -22.260 425 HA ARG 55 HA ARG 55 -15.514 -21.831 -24.620 426 HB2 ARG 55 HB3 ARG 55 -13.823 -20.970 -22.338 427 HB3 ARG 55 HB2 ARG 55 -13.518 -22.559 -23.002 428 HG2 ARG 55 HG3 ARG 55 -13.349 -21.433 -25.263 429 HG3 ARG 55 HG2 ARG 55 -13.313 -19.908 -24.374 430 HD2 ARG 55 HD3 ARG 55 -11.056 -20.635 -24.849 431 HD3 ARG 55 HD2 ARG 55 -11.359 -20.718 -23.112 432 HE ARG 55 HE ARG 55 -11.851 -23.191 -24.520 433 HH11 ARG 55 HH11 ARG 55 -9.449 -21.260 -22.836 434 HH12 ARG 55 HH12 ARG 55 -8.397 -22.617 -22.536 435 HH21 ARG 55 HH21 ARG 55 -10.495 -24.958 -24.093 436 HH22 ARG 55 HH22 ARG 55 -9.005 -24.728 -23.233 437 H GLY 56 H GLY 56 -17.486 -21.926 -22.129 438 HA2 GLY 56 HA3 GLY 56 -18.798 -23.766 -21.542 439 HA3 GLY 56 HA2 GLY 56 -17.565 -24.826 -22.205 440 H PHE 57 H PHE 57 -16.210 -22.514 -20.165 441 HA PHE 57 HA PHE 57 -16.782 -23.728 -17.655 442 HB2 PHE 57 HB3 PHE 57 -14.681 -24.741 -17.144 443 HB3 PHE 57 HB2 PHE 57 -15.204 -25.401 -18.687 444 HD1 PHE 57 HD1 PHE 57 -12.603 -23.795 -16.911 445 HD2 PHE 57 HD2 PHE 57 -14.201 -24.371 -20.802 446 HE1 PHE 57 HE1 PHE 57 -10.444 -23.124 -17.889 447 HE2 PHE 57 HE2 PHE 57 -12.049 -23.706 -21.795 448 HZ PHE 57 HZ PHE 57 -10.166 -23.083 -20.334 449 H GLY 58 H GLY 58 -15.596 -22.701 -15.872 450 HA2 GLY 58 HA3 GLY 58 -14.121 -20.277 -16.466 451 HA3 GLY 58 HA2 GLY 58 -15.736 -20.006 -15.828 452 H PHE 59 H PHE 59 -14.254 -18.908 -14.188 453 HA PHE 59 HA PHE 59 -13.699 -20.808 -12.019 454 HB2 PHE 59 HB3 PHE 59 -11.857 -18.586 -12.920 455 HB3 PHE 59 HB2 PHE 59 -11.663 -19.497 -11.431 456 HD1 PHE 59 HD1 PHE 59 -10.977 -21.828 -11.479 457 HD2 PHE 59 HD2 PHE 59 -11.285 -19.534 -15.049 458 HE1 PHE 59 HE1 PHE 59 -9.629 -23.503 -12.671 459 HE2 PHE 59 HE2 PHE 59 -9.945 -21.211 -16.248 460 HZ PHE 59 HZ PHE 59 -9.113 -23.199 -15.058 461 H VAL 60 H VAL 60 -13.890 -19.972 -9.948 462 HA VAL 60 HA VAL 60 -14.846 -17.240 -9.575 463 HB VAL 60 HB VAL 60 -16.733 -18.344 -8.109 464 HG11 VAL 60 HG11 VAL 60 -17.043 -16.683 -9.831 465 HG12 VAL 60 HG12 VAL 60 -18.282 -17.940 -9.928 466 HG13 VAL 60 HG13 VAL 60 -16.936 -17.937 -11.069 467 HG21 VAL 60 HG21 VAL 60 -17.770 -20.236 -9.261 468 HG22 VAL 60 HG22 VAL 60 -16.187 -20.640 -8.602 469 HG23 VAL 60 HG23 VAL 60 -16.367 -20.332 -10.327 470 H THR 61 H THR 61 -13.612 -16.488 -8.026 471 HA THR 61 HA THR 61 -12.603 -18.323 -5.978 472 HB THR 61 HB THR 61 -11.787 -15.451 -6.315 473 HG1 THR 61 HG1 THR 61 -11.122 -16.063 -8.255 474 HG21 THR 61 HG21 THR 61 -9.679 -16.255 -5.353 475 HG22 THR 61 HG22 THR 61 -10.343 -17.888 -5.273 476 HG23 THR 61 HG23 THR 61 -11.046 -16.601 -4.293 477 H TYR 62 H TYR 62 -13.666 -18.417 -4.127 478 HA TYR 62 HA TYR 62 -15.584 -16.392 -3.417 479 HB2 TYR 62 HB3 TYR 62 -14.721 -18.986 -2.163 480 HB3 TYR 62 HB2 TYR 62 -15.819 -17.886 -1.338 481 HD1 TYR 62 HD1 TYR 62 -18.090 -17.722 -1.963 482 HD2 TYR 62 HD2 TYR 62 -15.428 -20.037 -4.336 483 HE1 TYR 62 HE1 TYR 62 -20.007 -18.694 -3.152 484 HE2 TYR 62 HE2 TYR 62 -17.339 -21.020 -5.531 485 HH TYR 62 HH TYR 62 -20.515 -19.762 -5.234 486 H ALA 63 H ALA 63 -15.608 -15.777 -0.963 487 HA ALA 63 HA ALA 63 -13.256 -14.171 -0.571 488 HB1 ALA 63 HB1 ALA 63 -14.417 -13.293 1.373 489 HB2 ALA 63 HB2 ALA 63 -15.618 -14.581 1.266 490 HB3 ALA 63 HB3 ALA 63 -15.517 -13.359 -0.005 491 H THR 64 H THR 64 -14.681 -17.024 0.871 492 HA THR 64 HA THR 64 -12.104 -17.634 2.088 493 HB THR 64 HB THR 64 -13.258 -16.639 3.944 494 HG1 THR 64 HG1 THR 64 -12.377 -18.271 4.957 495 HG21 THR 64 HG21 THR 64 -15.541 -16.788 3.057 496 HG22 THR 64 HG22 THR 64 -15.441 -17.380 4.717 497 HG23 THR 64 HG23 THR 64 -15.544 -18.524 3.377 498 H VAL 65 H VAL 65 -11.868 -19.865 2.625 499 HA VAL 65 HA VAL 65 -12.714 -21.622 0.639 500 HB VAL 65 HB VAL 65 -10.703 -22.068 1.845 501 HG11 VAL 65 HG11 VAL 65 -10.677 -22.690 4.219 502 HG12 VAL 65 HG12 VAL 65 -12.406 -22.353 4.316 503 HG13 VAL 65 HG13 VAL 65 -11.272 -21.048 3.967 504 HG21 VAL 65 HG21 VAL 65 -11.002 -24.410 2.515 505 HG22 VAL 65 HG22 VAL 65 -11.833 -24.042 1.003 506 HG23 VAL 65 HG23 VAL 65 -12.751 -24.181 2.502 507 H GLU 66 H GLU 66 -14.207 -20.789 3.675 508 HA GLU 66 HA GLU 66 -15.840 -23.034 4.047 509 HB2 GLU 66 HB3 GLU 66 -16.328 -20.161 4.840 510 HB3 GLU 66 HB2 GLU 66 -17.218 -21.546 5.461 511 HG2 GLU 66 HG3 GLU 66 -14.272 -21.030 5.799 512 HG3 GLU 66 HG2 GLU 66 -15.517 -20.836 7.034 513 H GLU 67 H GLU 67 -16.216 -20.234 2.002 514 HA GLU 67 HA GLU 67 -18.976 -20.723 1.398 515 HB2 GLU 67 HB3 GLU 67 -17.045 -19.098 -0.245 516 HB3 GLU 67 HB2 GLU 67 -18.792 -18.924 -0.140 517 HG2 GLU 67 HG3 GLU 67 -18.489 -18.298 2.264 518 HG3 GLU 67 HG2 GLU 67 -16.755 -18.257 1.958 519 H VAL 68 H VAL 68 -15.868 -21.388 -0.103 520 HA VAL 68 HA VAL 68 -16.695 -22.580 -2.479 521 HB VAL 68 HB VAL 68 -14.319 -23.148 -0.704 522 HG11 VAL 68 HG11 VAL 68 -14.715 -25.187 -1.904 523 HG12 VAL 68 HG12 VAL 68 -13.356 -24.353 -2.661 524 HG13 VAL 68 HG13 VAL 68 -14.953 -24.306 -3.410 525 HG21 VAL 68 HG21 VAL 68 -13.089 -21.967 -2.444 526 HG22 VAL 68 HG22 VAL 68 -14.383 -20.963 -1.788 527 HG23 VAL 68 HG23 VAL 68 -14.583 -21.748 -3.356 528 H ASP 69 H ASP 69 -16.210 -24.013 0.724 529 HA ASP 69 HA ASP 69 -16.846 -26.654 0.160 530 HB2 ASP 69 HB3 ASP 69 -15.970 -26.033 2.320 531 HB3 ASP 69 HB2 ASP 69 -17.374 -25.026 2.650 532 H ALA 70 H ALA 70 -19.021 -23.999 1.069 533 HA ALA 70 HA ALA 70 -21.377 -25.520 1.182 534 HB1 ALA 70 HB1 ALA 70 -21.065 -22.596 0.518 535 HB2 ALA 70 HB2 ALA 70 -21.186 -23.283 2.139 536 HB3 ALA 70 HB3 ALA 70 -22.552 -23.392 1.029 537 H ALA 71 H ALA 71 -19.872 -23.744 -1.483 538 HA ALA 71 HA ALA 71 -21.927 -24.192 -3.372 539 HB1 ALA 71 HB1 ALA 71 -20.277 -23.563 -5.047 540 HB2 ALA 71 HB2 ALA 71 -18.988 -23.727 -3.855 541 HB3 ALA 71 HB3 ALA 71 -20.214 -22.472 -3.662 542 H MET 72 H MET 72 -19.120 -26.057 -2.385 543 HA MET 72 HA MET 72 -19.281 -27.977 -4.471 544 HB2 MET 72 HB3 MET 72 -18.025 -28.143 -1.729 545 HB3 MET 72 HB2 MET 72 -17.869 -29.388 -2.957 546 HG2 MET 72 HG3 MET 72 -16.843 -27.631 -4.446 547 HG3 MET 72 HG2 MET 72 -16.816 -26.580 -3.033 548 HE1 MET 72 HE1 MET 72 -13.093 -27.863 -3.723 549 HE2 MET 72 HE2 MET 72 -14.153 -26.454 -3.763 550 HE3 MET 72 HE3 MET 72 -14.353 -27.740 -4.953 551 H ASN 73 H ASN 73 -20.764 -27.710 -1.294 552 HA ASN 73 HA ASN 73 -21.865 -30.347 -1.277 553 HB2 ASN 73 HB3 ASN 73 -22.500 -27.842 0.274 554 HB3 ASN 73 HB2 ASN 73 -23.479 -29.295 0.442 555 HD21 ASN 73 HD21 ASN 73 -20.459 -27.777 1.140 556 HD22 ASN 73 HD22 ASN 73 -19.857 -28.998 2.201 557 H ALA 74 H ALA 74 -22.615 -27.536 -2.984 558 HA ALA 74 HA ALA 74 -25.469 -28.051 -3.156 559 HB1 ALA 74 HB1 ALA 74 -23.822 -25.864 -4.414 560 HB2 ALA 74 HB2 ALA 74 -24.626 -25.756 -2.844 561 HB3 ALA 74 HB3 ALA 74 -25.582 -25.932 -4.321 562 H ARG 75 H ARG 75 -23.344 -29.824 -4.470 563 HA ARG 75 HA ARG 75 -24.118 -29.522 -7.267 564 HB2 ARG 75 HB3 ARG 75 -22.322 -30.843 -7.859 565 HB3 ARG 75 HB2 ARG 75 -21.708 -30.078 -6.405 566 HG2 ARG 75 HG3 ARG 75 -22.905 -32.841 -6.518 567 HG3 ARG 75 HG2 ARG 75 -21.178 -32.483 -6.559 568 HD2 ARG 75 HD3 ARG 75 -21.423 -31.361 -4.355 569 HD3 ARG 75 HD2 ARG 75 -23.104 -31.891 -4.318 570 HE ARG 75 HE ARG 75 -22.089 -34.225 -4.508 571 HH11 ARG 75 HH11 ARG 75 -20.479 -31.531 -2.956 572 HH12 ARG 75 HH12 ARG 75 -19.590 -32.534 -1.845 573 HH21 ARG 75 HH21 ARG 75 -20.943 -35.542 -3.041 574 HH22 ARG 75 HH22 ARG 75 -19.874 -34.821 -1.875 575 HA PRO 76 HA PRO 76 -23.936 -31.285 -9.102 576 HB2 PRO 76 HB3 PRO 76 -26.602 -31.558 -10.337 577 HB3 PRO 76 HB2 PRO 76 -25.076 -32.330 -10.778 578 HG2 PRO 76 HG3 PRO 76 -27.057 -33.714 -9.617 579 HG3 PRO 76 HG2 PRO 76 -25.352 -34.049 -9.259 580 HD2 PRO 76 HD3 PRO 76 -27.359 -32.515 -7.650 581 HD3 PRO 76 HD2 PRO 76 -26.132 -33.677 -7.106 582 H HIS 77 H HIS 77 -23.573 -29.263 -9.601 583 HA HIS 77 HA HIS 77 -25.204 -27.176 -8.557 584 HB2 HIS 77 HB3 HIS 77 -22.607 -27.313 -8.940 585 HB3 HIS 77 HB2 HIS 77 -23.007 -26.688 -10.537 586 HD2 HIS 77 HD2 HIS 77 -22.508 -25.486 -6.953 587 HE1 HIS 77 HE1 HIS 77 -24.082 -22.258 -9.198 588 HE2 HIS 77 HE2 HIS 77 -22.864 -22.920 -7.076 589 H LYS 78 H LYS 78 -25.901 -25.292 -9.925 590 HA LYS 78 HA LYS 78 -26.783 -26.078 -12.588 591 HB2 LYS 78 HB3 LYS 78 -28.558 -26.839 -11.054 592 HB3 LYS 78 HB2 LYS 78 -28.705 -25.208 -10.419 593 HG2 LYS 78 HG3 LYS 78 -30.482 -25.657 -11.985 594 HG3 LYS 78 HG2 LYS 78 -29.405 -24.419 -12.634 595 HD2 LYS 78 HD3 LYS 78 -29.900 -25.905 -14.419 596 HD3 LYS 78 HD2 LYS 78 -28.247 -26.251 -13.914 597 HE2 LYS 78 HE3 LYS 78 -29.386 -28.327 -14.283 598 HE3 LYS 78 HE2 LYS 78 -29.115 -28.136 -12.552 599 HZ1 LYS 78 HZ1 LYS 78 -31.361 -28.952 -13.145 600 HZ2 LYS 78 HZ2 LYS 78 -31.672 -27.467 -13.910 601 HZ3 LYS 78 HZ3 LYS 78 -31.381 -27.520 -12.240 602 H VAL 79 H VAL 79 -26.006 -24.491 -13.776 603 HA VAL 79 HA VAL 79 -26.770 -21.738 -13.114 604 HB VAL 79 HB VAL 79 -24.515 -21.674 -12.423 605 HG11 VAL 79 HG11 VAL 79 -22.649 -22.585 -13.747 606 HG12 VAL 79 HG12 VAL 79 -23.817 -23.264 -14.882 607 HG13 VAL 79 HG13 VAL 79 -23.784 -23.824 -13.207 608 HG21 VAL 79 HG21 VAL 79 -23.359 -20.293 -14.090 609 HG22 VAL 79 HG22 VAL 79 -25.051 -19.832 -13.923 610 HG23 VAL 79 HG23 VAL 79 -24.532 -20.789 -15.311 611 H ASP 80 H ASP 80 -27.658 -20.710 -14.791 612 HA ASP 80 HA ASP 80 -28.489 -20.269 -16.861 613 HB2 ASP 80 HB3 ASP 80 -26.014 -20.153 -17.419 614 HB3 ASP 80 HB2 ASP 80 -26.136 -21.816 -17.977 615 H GLY 81 H GLY 81 -29.074 -22.787 -15.382 616 HA2 GLY 81 HA3 GLY 81 -30.538 -24.547 -15.737 617 HA3 GLY 81 HA2 GLY 81 -30.576 -24.123 -17.444 618 H ARG 82 H ARG 82 -27.429 -24.403 -16.342 619 HA ARG 82 HA ARG 82 -27.211 -27.088 -17.529 620 HB2 ARG 82 HB3 ARG 82 -26.096 -25.349 -18.816 621 HB3 ARG 82 HB2 ARG 82 -25.226 -24.813 -17.388 622 HG2 ARG 82 HG3 ARG 82 -23.770 -26.082 -18.816 623 HG3 ARG 82 HG2 ARG 82 -24.049 -26.961 -17.315 624 HD2 ARG 82 HD3 ARG 82 -25.727 -28.344 -18.447 625 HD3 ARG 82 HD2 ARG 82 -25.419 -27.473 -19.950 626 HE ARG 82 HE ARG 82 -23.116 -28.740 -18.714 627 HH11 ARG 82 HH11 ARG 82 -25.689 -28.968 -21.070 628 HH12 ARG 82 HH12 ARG 82 -24.884 -30.175 -22.028 629 HH21 ARG 82 HH21 ARG 82 -22.057 -30.356 -19.961 630 HH22 ARG 82 HH22 ARG 82 -22.831 -30.975 -21.385 631 H VAL 83 H VAL 83 -26.235 -28.697 -16.414 632 HA VAL 83 HA VAL 83 -25.514 -28.223 -13.642 633 HB VAL 83 HB VAL 83 -25.489 -30.783 -15.257 634 HG11 VAL 83 HG11 VAL 83 -25.350 -31.912 -13.082 635 HG12 VAL 83 HG12 VAL 83 -25.204 -30.345 -12.286 636 HG13 VAL 83 HG13 VAL 83 -23.940 -30.898 -13.385 637 HG21 VAL 83 HG21 VAL 83 -27.494 -29.724 -13.267 638 HG22 VAL 83 HG22 VAL 83 -27.539 -31.318 -14.020 639 HG23 VAL 83 HG23 VAL 83 -27.729 -29.870 -15.009 640 H VAL 84 H VAL 84 -23.523 -27.841 -12.957 641 HA VAL 84 HA VAL 84 -21.281 -28.405 -14.789 642 HB VAL 84 HB VAL 84 -20.128 -26.458 -13.907 643 HG11 VAL 84 HG11 VAL 84 -21.526 -26.130 -15.847 644 HG12 VAL 84 HG12 VAL 84 -21.593 -24.702 -14.813 645 HG13 VAL 84 HG13 VAL 84 -22.931 -25.850 -14.820 646 HG21 VAL 84 HG21 VAL 84 -21.235 -24.883 -12.399 647 HG22 VAL 84 HG22 VAL 84 -21.044 -26.464 -11.641 648 HG23 VAL 84 HG23 VAL 84 -22.617 -25.972 -12.270 649 H GLU 85 H GLU 85 -19.147 -28.504 -13.627 650 HA GLU 85 HA GLU 85 -19.455 -29.903 -11.051 651 HB2 GLU 85 HB3 GLU 85 -17.362 -30.257 -13.200 652 HB3 GLU 85 HB2 GLU 85 -17.233 -30.954 -11.594 653 HG2 GLU 85 HG3 GLU 85 -19.437 -32.101 -12.070 654 HG3 GLU 85 HG2 GLU 85 -19.209 -31.607 -13.749 655 HA PRO 86 HA PRO 86 -16.913 -26.411 -9.816 656 HB2 PRO 86 HB3 PRO 86 -18.027 -26.214 -7.322 657 HB3 PRO 86 HB2 PRO 86 -18.685 -25.447 -8.769 658 HG2 PRO 86 HG3 PRO 86 -19.763 -27.653 -7.226 659 HG3 PRO 86 HG2 PRO 86 -20.523 -26.735 -8.534 660 HD2 PRO 86 HD3 PRO 86 -19.236 -29.355 -8.618 661 HD3 PRO 86 HD2 PRO 86 -20.257 -28.568 -9.838 662 H LYS 87 H LYS 87 -14.915 -27.211 -9.530 663 HA LYS 87 HA LYS 87 -14.418 -28.882 -7.145 664 HB2 LYS 87 HB3 LYS 87 -12.983 -29.005 -9.812 665 HB3 LYS 87 HB2 LYS 87 -12.607 -29.982 -8.398 666 HG2 LYS 87 HG3 LYS 87 -14.798 -31.041 -8.532 667 HG3 LYS 87 HG2 LYS 87 -15.200 -30.047 -9.931 668 HD2 LYS 87 HD3 LYS 87 -12.904 -32.002 -9.812 669 HD3 LYS 87 HD2 LYS 87 -14.481 -32.349 -10.520 670 HE2 LYS 87 HE3 LYS 87 -14.141 -30.487 -12.105 671 HE3 LYS 87 HE2 LYS 87 -12.536 -30.227 -11.424 672 HZ1 LYS 87 HZ1 LYS 87 -11.942 -32.490 -12.091 673 HZ2 LYS 87 HZ2 LYS 87 -12.403 -31.553 -13.430 674 HZ3 LYS 87 HZ3 LYS 87 -13.476 -32.695 -12.790 675 H ARG 88 H ARG 88 -12.202 -28.687 -6.301 676 HA ARG 88 HA ARG 88 -11.513 -26.016 -5.787 677 HB2 ARG 88 HB3 ARG 88 -10.904 -28.387 -4.646 678 HB3 ARG 88 HB2 ARG 88 -9.404 -28.079 -5.509 679 HG2 ARG 88 HG3 ARG 88 -9.100 -27.214 -3.353 680 HG3 ARG 88 HG2 ARG 88 -9.381 -25.814 -4.394 681 HD2 ARG 88 HD3 ARG 88 -11.589 -25.552 -3.622 682 HD3 ARG 88 HD2 ARG 88 -11.605 -27.155 -2.886 683 HE ARG 88 HE ARG 88 -10.364 -24.737 -1.811 684 HH11 ARG 88 HH11 ARG 88 -10.952 -28.189 -1.530 685 HH12 ARG 88 HH12 ARG 88 -10.474 -28.257 0.141 686 HH21 ARG 88 HH21 ARG 88 -9.717 -24.856 0.396 687 HH22 ARG 88 HH22 ARG 88 -9.777 -26.380 1.229 688 H ALA 89 H ALA 89 -9.940 -24.675 -6.610 689 HA ALA 89 HA ALA 89 -9.021 -25.275 -9.261 690 HB1 ALA 89 HB1 ALA 89 -8.116 -23.026 -9.258 691 HB2 ALA 89 HB2 ALA 89 -8.425 -22.887 -7.526 692 HB3 ALA 89 HB3 ALA 89 -9.773 -23.028 -8.654 693 H VAL 90 H VAL 90 -6.939 -25.439 -9.965 694 HA VAL 90 HA VAL 90 -4.898 -26.063 -7.949 695 HB VAL 90 HB VAL 90 -5.431 -27.865 -9.583 696 HG11 VAL 90 HG11 VAL 90 -6.053 -26.501 -11.487 697 HG12 VAL 90 HG12 VAL 90 -4.766 -27.622 -11.928 698 HG13 VAL 90 HG13 VAL 90 -4.394 -25.922 -11.640 699 HG21 VAL 90 HG21 VAL 90 -3.213 -27.807 -8.603 700 HG22 VAL 90 HG22 VAL 90 -2.660 -26.709 -9.869 701 HG23 VAL 90 HG23 VAL 90 -3.129 -28.360 -10.276 702 H SER 91 H SER 91 -2.718 -25.154 -8.347 703 HA SER 91 HA SER 91 -2.778 -22.462 -9.132 704 HB2 SER 91 HB3 SER 91 -0.435 -24.355 -8.833 705 HB3 SER 91 HB2 SER 91 -0.272 -22.619 -9.092 706 HG SER 91 HG SER 91 -0.532 -23.833 -6.809 707 H ARG 92 H ARG 92 -2.533 -21.479 -11.051 708 HA ARG 92 HA ARG 92 -2.467 -22.957 -13.481 709 HB2 ARG 92 HB3 ARG 92 -2.063 -20.662 -14.531 710 HB3 ARG 92 HB2 ARG 92 -3.558 -20.860 -13.629 711 HG2 ARG 92 HG3 ARG 92 -1.245 -19.813 -12.121 712 HG3 ARG 92 HG2 ARG 92 -1.936 -18.753 -13.353 713 HD2 ARG 92 HD3 ARG 92 -4.061 -18.779 -12.324 714 HD3 ARG 92 HD2 ARG 92 -3.629 -20.130 -11.282 715 HE ARG 92 HE ARG 92 -1.896 -18.319 -10.436 716 HH11 ARG 92 HH11 ARG 92 -5.281 -17.916 -11.222 717 HH12 ARG 92 HH12 ARG 92 -5.560 -16.688 -10.020 718 HH21 ARG 92 HH21 ARG 92 -2.230 -16.698 -8.866 719 HH22 ARG 92 HH22 ARG 92 -3.806 -15.976 -8.693 720 H GLU 93 H GLU 93 -0.130 -21.649 -11.354 721 HA GLU 93 HA GLU 93 2.153 -21.671 -12.973 722 HB2 GLU 93 HB3 GLU 93 1.882 -22.350 -10.038 723 HB3 GLU 93 HB2 GLU 93 3.385 -21.965 -10.854 724 HG2 GLU 93 HG3 GLU 93 2.947 -19.930 -9.973 725 HG3 GLU 93 HG2 GLU 93 2.047 -19.763 -11.478 726 H ASP 94 H ASP 94 0.572 -24.217 -11.105 727 HA ASP 94 HA ASP 94 2.473 -26.243 -11.790 728 HB2 ASP 94 HB3 ASP 94 -0.279 -26.325 -10.565 729 HB3 ASP 94 HB2 ASP 94 0.622 -27.792 -10.928 730 H SER 95 H SER 95 -0.731 -25.301 -12.923 731 HA SER 95 HA SER 95 -0.350 -27.086 -15.236 732 HB2 SER 95 HB3 SER 95 -2.998 -26.268 -14.022 733 HB3 SER 95 HB2 SER 95 -2.739 -27.441 -15.314 734 HG SER 95 HG SER 95 -1.316 -27.941 -13.013 735 H GLN 96 H GLN 96 0.670 -25.384 -16.373 736 HA GLN 96 HA GLN 96 -0.900 -22.995 -16.941 737 HB2 GLN 96 HB3 GLN 96 1.584 -22.920 -16.524 738 HB3 GLN 96 HB2 GLN 96 1.807 -23.789 -18.034 739 HG2 GLN 96 HG3 GLN 96 0.732 -21.937 -19.236 740 HG3 GLN 96 HG2 GLN 96 0.580 -21.060 -17.714 741 HE21 GLN 96 HE21 GLN 96 2.743 -22.188 -20.170 742 HE22 GLN 96 HE22 GLN 96 4.123 -21.258 -19.688 743 H ARG 97 H ARG 97 0.118 -25.984 -18.402 744 HA ARG 97 HA ARG 97 -1.937 -25.598 -20.437 745 HB2 ARG 97 HB3 ARG 97 0.257 -25.088 -21.520 746 HB3 ARG 97 HB2 ARG 97 0.801 -26.707 -21.098 747 HG2 ARG 97 HG3 ARG 97 -1.093 -27.624 -22.427 748 HG3 ARG 97 HG2 ARG 97 -1.459 -25.979 -22.948 749 HD2 ARG 97 HD3 ARG 97 -0.158 -27.084 -24.646 750 HD3 ARG 97 HD2 ARG 97 0.815 -25.817 -23.901 751 HE ARG 97 HE ARG 97 1.742 -27.757 -22.504 752 HH11 ARG 97 HH11 ARG 97 0.615 -28.118 -25.803 753 HH12 ARG 97 HH12 ARG 97 1.736 -29.395 -26.176 754 HH21 ARG 97 HH21 ARG 97 3.228 -29.423 -23.002 755 HH22 ARG 97 HH22 ARG 97 3.242 -30.110 -24.596 756 H5' U 1 H5' U 1 -17.848 -29.561 -20.863 757 H5'' U 1 H5'' U 1 -16.238 -30.023 -20.291 758 H4' U 1 H4' U 1 -15.366 -29.652 -22.262 759 H3' U 1 H3' U 1 -15.452 -27.086 -21.581 760 H2' U 1 H2' U 1 -17.649 -26.499 -22.254 761 HO2' U 1 HO2' U 1 -15.917 -25.610 -23.841 762 H1' U 1 H1' U 1 -17.664 -28.171 -24.754 763 H3 U 1 H3 U 1 -22.090 -28.546 -24.907 764 H5 U 1 H5 U 1 -21.406 -27.263 -20.968 765 H6 U 1 H6 U 1 -19.044 -27.430 -21.403 766 HO5' U 1 HO5' U 1 -16.056 -27.490 -20.361 767 H5' U 2 H5' U 2 -13.671 -28.773 -20.591 768 H5'' U 2 H5'' U 2 -14.789 -27.533 -19.991 769 H4' U 2 H4' U 2 -12.377 -26.529 -19.216 770 H3' U 2 H3' U 2 -11.382 -28.896 -19.847 771 H2' U 2 H2' U 2 -12.930 -30.310 -18.688 772 HO2' U 2 HO2' U 2 -10.896 -29.547 -16.851 773 H1' U 2 H1' U 2 -12.981 -28.529 -16.226 774 H3 U 2 H3 U 2 -16.351 -31.013 -14.667 775 H5 U 2 H5 U 2 -17.432 -30.365 -18.667 776 H6 U 2 H6 U 2 -15.328 -29.243 -18.978 777 H5' A 3 H5' A 3 -10.135 -25.900 -18.460 778 H5'' A 3 H5'' A 3 -9.220 -25.175 -19.797 779 H4' A 3 H4' A 3 -8.578 -23.798 -18.120 780 H3' A 3 H3' A 3 -6.478 -25.264 -18.865 781 H2' A 3 H2' A 3 -6.984 -27.089 -17.262 782 HO2' A 3 HO2' A 3 -5.222 -25.317 -15.877 783 H1' A 3 H1' A 3 -7.255 -24.732 -15.285 784 H8 A 3 H8 A 3 -8.132 -28.453 -15.894 785 H61 A 3 H61 A 3 -9.314 -29.499 -11.291 786 H62 A 3 H62 A 3 -9.466 -28.525 -9.843 787 H2 A 3 H2 A 3 -8.483 -24.304 -11.019 788 H5' G 4 H5' G 4 -7.153 -22.508 -18.834 789 H5'' G 4 H5'' G 4 -6.695 -21.640 -20.312 790 H4' G 4 H4' G 4 -7.159 -19.820 -19.153 791 H3' G 4 H3' G 4 -4.401 -20.223 -18.802 792 H2' G 4 H2' G 4 -4.564 -20.710 -16.445 793 HO2' G 4 HO2' G 4 -5.096 -18.106 -15.816 794 H1' G 4 H1' G 4 -7.000 -18.818 -16.533 795 H8 G 4 H8 G 4 -7.993 -18.505 -14.256 796 H1 G 4 H1 G 4 -5.699 -24.103 -12.129 797 H21 G 4 H21 G 4 -4.225 -24.331 -15.256 798 H22 G 4 H22 G 4 -4.476 -25.060 -13.688 799 H5' G 5 H5' G 5 -4.842 -15.228 -19.055 800 H5'' G 5 H5'' G 5 -5.895 -16.449 -18.310 801 H4' G 5 H4' G 5 -7.036 -14.468 -20.226 802 H3' G 5 H3' G 5 -6.006 -13.732 -17.550 803 H2' G 5 H2' G 5 -8.078 -12.822 -16.801 804 HO2' G 5 HO2' G 5 -9.072 -13.220 -19.453 805 H1' G 5 H1' G 5 -9.718 -14.850 -17.626 806 H8 G 5 H8 G 5 -7.090 -17.114 -17.087 807 H1 G 5 H1 G 5 -8.668 -14.334 -11.523 808 H21 G 5 H21 G 5 -10.177 -11.932 -13.514 809 H22 G 5 H22 G 5 -9.798 -12.483 -11.901 810 H5' U 6 H5' U 6 -3.013 -13.312 -20.714 811 H5'' U 6 H5'' U 6 -4.058 -14.734 -20.526 812 H4' U 6 H4' U 6 -1.307 -14.584 -20.161 813 H3' U 6 H3' U 6 -2.967 -16.642 -20.592 814 H2' U 6 H2' U 6 -3.921 -16.774 -18.379 815 HO2' U 6 HO2' U 6 -3.063 -18.584 -17.518 816 H1' U 6 H1' U 6 -1.143 -16.292 -17.180 817 H3 U 6 H3 U 6 -2.759 -16.263 -13.039 818 H5 U 6 H5 U 6 -5.763 -14.276 -15.199 819 H6 U 6 H6 U 6 -4.482 -14.669 -17.197 820 H5' C 7 H5' C 7 1.002 -14.464 -21.339 821 H5'' C 7 H5'' C 7 -0.742 -14.723 -21.543 822 H4' C 7 H4' C 7 1.367 -14.377 -23.657 823 H3' C 7 H3' C 7 -1.029 -12.741 -22.864 824 HO3' C 7 HO3' C 7 1.188 -12.233 -22.366 825 H2' C 7 H2' C 7 -1.342 -12.163 -25.171 826 HO2' C 7 HO2' C 7 1.308 -12.585 -25.256 827 H1' C 7 H1' C 7 -0.867 -14.734 -26.179 828 H41 C 7 H41 C 7 -7.087 -14.631 -23.930 829 H42 C 7 H42 C 7 -7.175 -14.444 -25.667 830 H5 C 7 H5 C 7 -4.979 -14.724 -22.723 831 H6 C 7 H6 C 7 -2.551 -14.643 -22.947 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -8.079 -0.250 0.817 2 H2 ALA 1 H2 ALA 1 -9.010 -1.026 -0.368 3 H3 ALA 1 H3 ALA 1 -9.254 0.622 -0.047 4 HA ALA 1 HA ALA 1 -8.027 0.302 -2.094 5 HB1 ALA 1 HB1 ALA 1 -7.632 2.312 -0.753 6 HB2 ALA 1 HB2 ALA 1 -6.168 1.800 -1.592 7 HB3 ALA 1 HB3 ALA 1 -6.357 1.472 0.131 8 H SER 2 H SER 2 -6.221 -0.528 -3.188 9 HA SER 2 HA SER 2 -5.273 -3.013 -2.144 10 HB2 SER 2 HB3 SER 2 -4.477 -1.542 -4.666 11 HB3 SER 2 HB2 SER 2 -4.093 -3.223 -4.290 12 HG SER 2 HG SER 2 -6.723 -2.853 -3.987 13 H LYS 3 H LYS 3 -4.320 -1.898 -0.227 14 HA LYS 3 HA LYS 3 -1.433 -1.814 -0.666 15 HB2 LYS 3 HB3 LYS 3 -2.363 0.572 -0.526 16 HB3 LYS 3 HB2 LYS 3 -2.771 0.205 1.145 17 HG2 LYS 3 HG3 LYS 3 -0.323 -0.398 1.453 18 HG3 LYS 3 HG2 LYS 3 -0.051 0.361 -0.115 19 HD2 LYS 3 HD3 LYS 3 0.373 2.107 1.325 20 HD3 LYS 3 HD2 LYS 3 -1.328 2.370 0.948 21 HE2 LYS 3 HE3 LYS 3 -0.367 0.855 3.368 22 HE3 LYS 3 HE2 LYS 3 -0.712 2.581 3.376 23 HZ1 LYS 3 HZ1 LYS 3 -3.000 2.064 2.715 24 HZ2 LYS 3 HZ2 LYS 3 -2.587 1.353 4.198 25 HZ3 LYS 3 HZ3 LYS 3 -2.653 0.405 2.800 26 H SER 4 H SER 4 -3.840 -3.355 0.564 27 HA SER 4 HA SER 4 -3.273 -3.401 3.376 28 HB2 SER 4 HB3 SER 4 -5.007 -5.327 3.220 29 HB3 SER 4 HB2 SER 4 -5.541 -3.682 2.865 30 HG SER 4 HG SER 4 -5.656 -5.812 1.290 31 H GLU 5 H GLU 5 -2.523 -5.190 4.554 32 HA GLU 5 HA GLU 5 -0.595 -6.837 3.206 33 HB2 GLU 5 HB3 GLU 5 -1.550 -6.794 6.076 34 HB3 GLU 5 HB2 GLU 5 -0.287 -7.861 5.484 35 HG2 GLU 5 HG3 GLU 5 0.743 -6.018 6.573 36 HG3 GLU 5 HG2 GLU 5 1.028 -5.857 4.843 37 H SER 6 H SER 6 -2.254 -7.747 1.760 38 HA SER 6 HA SER 6 -4.242 -9.515 2.739 39 HB2 SER 6 HB3 SER 6 -2.959 -9.543 0.000 40 HB3 SER 6 HB2 SER 6 -4.565 -10.127 0.437 41 HG SER 6 HG SER 6 -5.192 -7.997 0.851 42 HA PRO 7 HA PRO 7 -1.496 -12.788 4.038 43 HB2 PRO 7 HB3 PRO 7 -3.522 -14.701 4.103 44 HB3 PRO 7 HB2 PRO 7 -3.072 -13.638 5.438 45 HG2 PRO 7 HG3 PRO 7 -5.288 -13.361 3.457 46 HG3 PRO 7 HG2 PRO 7 -5.270 -12.969 5.186 47 HD2 PRO 7 HD3 PRO 7 -5.095 -11.052 3.326 48 HD3 PRO 7 HD2 PRO 7 -4.174 -10.949 4.843 49 H LYS 8 H LYS 8 -0.336 -14.250 2.943 50 HA LYS 8 HA LYS 8 -0.965 -14.615 0.149 51 HB2 LYS 8 HB3 LYS 8 1.430 -15.224 1.848 52 HB3 LYS 8 HB2 LYS 8 1.280 -15.924 0.241 53 HG2 LYS 8 HG3 LYS 8 2.594 -13.944 0.076 54 HG3 LYS 8 HG2 LYS 8 1.030 -13.627 -0.673 55 HD2 LYS 8 HD3 LYS 8 0.354 -12.663 1.603 56 HD3 LYS 8 HD2 LYS 8 2.081 -12.659 1.965 57 HE2 LYS 8 HE3 LYS 8 1.408 -10.495 1.119 58 HE3 LYS 8 HE2 LYS 8 2.476 -11.290 -0.038 59 HZ1 LYS 8 HZ1 LYS 8 -0.489 -11.265 -0.226 60 HZ2 LYS 8 HZ2 LYS 8 0.590 -11.887 -1.377 61 HZ3 LYS 8 HZ3 LYS 8 0.535 -10.222 -1.079 62 H GLU 9 H GLU 9 -2.916 -15.873 1.394 63 HA GLU 9 HA GLU 9 -2.263 -18.720 1.258 64 HB2 GLU 9 HB3 GLU 9 -3.807 -17.789 3.058 65 HB3 GLU 9 HB2 GLU 9 -4.972 -17.479 1.778 66 HG2 GLU 9 HG3 GLU 9 -4.999 -19.866 1.233 67 HG3 GLU 9 HG2 GLU 9 -3.850 -20.169 2.534 68 HA PRO 10 HA PRO 10 -2.860 -18.706 -3.073 69 HB2 PRO 10 HB3 PRO 10 -4.022 -21.405 -2.677 70 HB3 PRO 10 HB2 PRO 10 -2.690 -20.893 -3.717 71 HG2 PRO 10 HG3 PRO 10 -2.308 -22.235 -1.408 72 HG3 PRO 10 HG2 PRO 10 -1.142 -21.054 -2.035 73 HD2 PRO 10 HD3 PRO 10 -3.007 -20.839 0.248 74 HD3 PRO 10 HD2 PRO 10 -1.479 -19.990 -0.047 75 H GLU 11 H GLU 11 -4.437 -17.710 -4.139 76 HA GLU 11 HA GLU 11 -7.191 -17.910 -3.486 77 HB2 GLU 11 HB3 GLU 11 -7.617 -16.639 -5.439 78 HB3 GLU 11 HB2 GLU 11 -6.075 -16.051 -4.826 79 HG2 GLU 11 HG3 GLU 11 -4.909 -17.470 -6.441 80 HG3 GLU 11 HG2 GLU 11 -6.465 -18.007 -7.070 81 H GLN 12 H GLN 12 -4.965 -19.830 -5.148 82 HA GLN 12 HA GLN 12 -6.356 -21.360 -6.925 83 HB2 GLN 12 HB3 GLN 12 -4.100 -21.833 -6.768 84 HB3 GLN 12 HB2 GLN 12 -4.123 -21.882 -5.014 85 HG2 GLN 12 HG3 GLN 12 -5.205 -24.050 -5.073 86 HG3 GLN 12 HG2 GLN 12 -5.253 -23.993 -6.834 87 HE21 GLN 12 HE21 GLN 12 -4.052 -25.918 -6.914 88 HE22 GLN 12 HE22 GLN 12 -2.344 -25.912 -6.625 89 H LEU 13 H LEU 13 -6.108 -22.053 -3.403 90 HA LEU 13 HA LEU 13 -8.027 -24.189 -3.719 91 HB2 LEU 13 HB3 LEU 13 -7.352 -24.963 -1.707 92 HB3 LEU 13 HB2 LEU 13 -5.960 -23.952 -2.047 93 HG LEU 13 HG LEU 13 -8.243 -22.778 -0.518 94 HD11 LEU 13 HD11 LEU 13 -7.861 -24.920 0.564 95 HD12 LEU 13 HD12 LEU 13 -7.261 -23.600 1.569 96 HD13 LEU 13 HD13 LEU 13 -6.131 -24.587 0.643 97 HD21 LEU 13 HD21 LEU 13 -6.415 -21.547 0.555 98 HD22 LEU 13 HD22 LEU 13 -6.398 -21.348 -1.197 99 HD23 LEU 13 HD23 LEU 13 -5.248 -22.438 -0.423 100 H ARG 14 H ARG 14 -8.218 -20.892 -3.291 101 HA ARG 14 HA ARG 14 -10.794 -21.034 -1.906 102 HB2 ARG 14 HB3 ARG 14 -9.118 -18.633 -2.667 103 HB3 ARG 14 HB2 ARG 14 -10.659 -18.558 -1.823 104 HG2 ARG 14 HG3 ARG 14 -9.583 -20.005 -0.039 105 HG3 ARG 14 HG2 ARG 14 -8.047 -19.658 -0.838 106 HD2 ARG 14 HD3 ARG 14 -8.322 -17.302 -0.467 107 HD3 ARG 14 HD2 ARG 14 -9.957 -17.545 0.155 108 HE ARG 14 HE ARG 14 -7.757 -18.858 1.569 109 HH11 ARG 14 HH11 ARG 14 -10.089 -16.224 1.484 110 HH12 ARG 14 HH12 ARG 14 -9.929 -15.885 3.181 111 HH21 ARG 14 HH21 ARG 14 -7.589 -18.414 3.776 112 HH22 ARG 14 HH22 ARG 14 -8.520 -17.121 4.476 113 H LYS 15 H LYS 15 -9.652 -21.286 -4.943 114 HA LYS 15 HA LYS 15 -11.900 -19.850 -6.166 115 HB2 LYS 15 HB3 LYS 15 -9.541 -19.399 -6.966 116 HB3 LYS 15 HB2 LYS 15 -9.505 -21.051 -7.562 117 HG2 LYS 15 HG3 LYS 15 -11.514 -20.485 -8.960 118 HG3 LYS 15 HG2 LYS 15 -11.276 -18.803 -8.484 119 HD2 LYS 15 HD3 LYS 15 -9.349 -20.555 -10.005 120 HD3 LYS 15 HD2 LYS 15 -10.237 -19.164 -10.626 121 HE2 LYS 15 HE3 LYS 15 -8.184 -19.051 -8.427 122 HE3 LYS 15 HE2 LYS 15 -7.857 -18.690 -10.117 123 HZ1 LYS 15 HZ1 LYS 15 -9.380 -16.852 -10.012 124 HZ2 LYS 15 HZ2 LYS 15 -8.240 -16.692 -8.769 125 HZ3 LYS 15 HZ3 LYS 15 -9.814 -17.232 -8.419 126 H LEU 16 H LEU 16 -13.421 -20.903 -7.284 127 HA LEU 16 HA LEU 16 -13.308 -23.826 -7.315 128 HB2 LEU 16 HB3 LEU 16 -15.406 -21.802 -7.078 129 HB3 LEU 16 HB2 LEU 16 -15.819 -23.099 -8.177 130 HG LEU 16 HG LEU 16 -15.107 -23.331 -5.251 131 HD11 LEU 16 HD11 LEU 16 -17.365 -22.584 -5.657 132 HD12 LEU 16 HD12 LEU 16 -17.376 -24.243 -5.069 133 HD13 LEU 16 HD13 LEU 16 -17.633 -23.911 -6.782 134 HD21 LEU 16 HD21 LEU 16 -15.671 -25.518 -7.243 135 HD22 LEU 16 HD22 LEU 16 -15.520 -25.728 -5.499 136 HD23 LEU 16 HD23 LEU 16 -14.129 -25.200 -6.446 137 H PHE 17 H PHE 17 -13.069 -24.910 -9.128 138 HA PHE 17 HA PHE 17 -12.970 -23.499 -11.680 139 HB2 PHE 17 HB3 PHE 17 -11.137 -25.036 -11.186 140 HB3 PHE 17 HB2 PHE 17 -12.277 -26.348 -10.920 141 HD1 PHE 17 HD1 PHE 17 -12.004 -27.929 -12.561 142 HD2 PHE 17 HD2 PHE 17 -11.956 -23.816 -13.645 143 HE1 PHE 17 HE1 PHE 17 -11.844 -28.558 -14.933 144 HE2 PHE 17 HE2 PHE 17 -11.796 -24.439 -16.018 145 HZ PHE 17 HZ PHE 17 -11.735 -26.810 -16.666 146 H ILE 18 H ILE 18 -14.708 -23.405 -12.929 147 HA ILE 18 HA ILE 18 -16.851 -25.376 -12.475 148 HB ILE 18 HB ILE 18 -17.160 -22.675 -13.781 149 HG12 ILE 18 HG12 ILE 18 -16.410 -22.199 -11.566 150 HG13 ILE 18 HG13 ILE 18 -18.157 -21.979 -11.572 151 HG21 ILE 18 HG21 ILE 18 -19.531 -22.997 -13.249 152 HG22 ILE 18 HG22 ILE 18 -19.157 -24.580 -12.569 153 HG23 ILE 18 HG23 ILE 18 -18.910 -24.278 -14.289 154 HD11 ILE 18 HD11 ILE 18 -18.419 -24.189 -10.550 155 HD12 ILE 18 HD12 ILE 18 -17.445 -23.101 -9.561 156 HD13 ILE 18 HD13 ILE 18 -16.665 -24.364 -10.512 157 H GLY 19 H GLY 19 -16.415 -26.953 -13.946 158 HA2 GLY 19 HA3 GLY 19 -15.970 -26.071 -16.729 159 HA3 GLY 19 HA2 GLY 19 -15.408 -27.599 -16.071 160 H GLY 20 H GLY 20 -17.160 -26.901 -18.392 161 HA2 GLY 20 HA3 GLY 20 -18.703 -28.328 -19.423 162 HA3 GLY 20 HA2 GLY 20 -19.094 -29.009 -17.851 163 H LEU 21 H LEU 21 -19.069 -25.584 -18.686 164 HA LEU 21 HA LEU 21 -21.943 -25.542 -18.114 165 HB2 LEU 21 HB3 LEU 21 -21.594 -23.049 -17.845 166 HB3 LEU 21 HB2 LEU 21 -20.903 -24.085 -16.617 167 HG LEU 21 HG LEU 21 -18.695 -23.845 -17.916 168 HD11 LEU 21 HD11 LEU 21 -19.615 -22.886 -19.957 169 HD12 LEU 21 HD12 LEU 21 -18.467 -21.782 -19.198 170 HD13 LEU 21 HD13 LEU 21 -20.200 -21.494 -19.048 171 HD21 LEU 21 HD21 LEU 21 -18.201 -21.737 -16.770 172 HD22 LEU 21 HD22 LEU 21 -19.100 -22.853 -15.741 173 HD23 LEU 21 HD23 LEU 21 -19.927 -21.490 -16.495 174 H SER 22 H SER 22 -23.099 -23.674 -19.303 175 HA SER 22 HA SER 22 -23.027 -24.460 -22.042 176 HB2 SER 22 HB3 SER 22 -24.681 -22.298 -20.724 177 HB3 SER 22 HB2 SER 22 -25.005 -23.070 -22.276 178 HG SER 22 HG SER 22 -26.167 -23.865 -20.321 179 H PHE 23 H PHE 23 -23.033 -22.870 -23.842 180 HA PHE 23 HA PHE 23 -20.810 -21.036 -23.520 181 HB2 PHE 23 HB3 PHE 23 -22.450 -21.752 -25.958 182 HB3 PHE 23 HB2 PHE 23 -21.021 -20.721 -25.971 183 HD1 PHE 23 HD1 PHE 23 -22.241 -24.045 -26.180 184 HD2 PHE 23 HD2 PHE 23 -18.841 -21.734 -25.087 185 HE1 PHE 23 HE1 PHE 23 -20.819 -26.043 -26.388 186 HE2 PHE 23 HE2 PHE 23 -17.412 -23.725 -25.295 187 HZ PHE 23 HZ PHE 23 -18.402 -25.886 -25.943 188 H GLU 24 H GLU 24 -23.829 -20.773 -22.664 189 HA GLU 24 HA GLU 24 -24.148 -17.984 -23.523 190 HB2 GLU 24 HB3 GLU 24 -26.186 -19.683 -22.084 191 HB3 GLU 24 HB2 GLU 24 -26.458 -18.181 -22.958 192 HG2 GLU 24 HG3 GLU 24 -25.767 -19.388 -25.047 193 HG3 GLU 24 HG2 GLU 24 -25.787 -20.874 -24.103 194 H THR 25 H THR 25 -22.990 -19.875 -21.057 195 HA THR 25 HA THR 25 -23.766 -18.375 -18.774 196 HB THR 25 HB THR 25 -21.295 -20.101 -19.109 197 HG1 THR 25 HG1 THR 25 -24.023 -20.721 -18.729 198 HG21 THR 25 HG21 THR 25 -22.910 -19.323 -16.667 199 HG22 THR 25 HG22 THR 25 -21.306 -18.718 -17.083 200 HG23 THR 25 HG23 THR 25 -21.529 -20.421 -16.680 201 H THR 26 H THR 26 -23.146 -16.382 -18.298 202 HA THR 26 HA THR 26 -20.548 -15.437 -19.282 203 HB THR 26 HB THR 26 -22.257 -14.334 -20.557 204 HG1 THR 26 HG1 THR 26 -21.940 -12.077 -19.590 205 HG21 THR 26 HG21 THR 26 -23.486 -13.560 -17.915 206 HG22 THR 26 HG22 THR 26 -24.166 -14.661 -19.117 207 HG23 THR 26 HG23 THR 26 -23.990 -12.944 -19.489 208 H ASP 27 H ASP 27 -19.726 -13.539 -18.014 209 HA ASP 27 HA ASP 27 -19.036 -14.487 -15.513 210 HB2 ASP 27 HB3 ASP 27 -18.985 -11.611 -16.449 211 HB3 ASP 27 HB2 ASP 27 -18.078 -12.274 -15.100 212 H GLU 28 H GLU 28 -21.436 -12.030 -16.350 213 HA GLU 28 HA GLU 28 -22.103 -11.313 -13.720 214 HB2 GLU 28 HB3 GLU 28 -24.136 -10.318 -14.707 215 HB3 GLU 28 HB2 GLU 28 -22.680 -9.894 -15.594 216 HG2 GLU 28 HG3 GLU 28 -23.206 -11.567 -17.282 217 HG3 GLU 28 HG2 GLU 28 -24.658 -12.016 -16.390 218 H SER 29 H SER 29 -23.396 -13.868 -15.818 219 HA SER 29 HA SER 29 -25.473 -14.458 -13.879 220 HB2 SER 29 HB3 SER 29 -25.983 -16.362 -15.457 221 HB3 SER 29 HB2 SER 29 -26.107 -14.752 -16.163 222 HG SER 29 HG SER 29 -24.960 -16.345 -17.445 223 H LEU 30 H LEU 30 -22.315 -15.533 -14.762 224 HA LEU 30 HA LEU 30 -22.310 -18.038 -13.452 225 HB2 LEU 30 HB3 LEU 30 -20.599 -17.131 -15.104 226 HB3 LEU 30 HB2 LEU 30 -19.953 -16.175 -13.789 227 HG LEU 30 HG LEU 30 -18.701 -18.294 -14.331 228 HD11 LEU 30 HD11 LEU 30 -18.320 -18.921 -12.006 229 HD12 LEU 30 HD12 LEU 30 -19.769 -18.039 -11.528 230 HD13 LEU 30 HD13 LEU 30 -18.390 -17.170 -12.201 231 HD21 LEU 30 HD21 LEU 30 -20.601 -19.738 -14.765 232 HD22 LEU 30 HD22 LEU 30 -21.123 -19.583 -13.088 233 HD23 LEU 30 HD23 LEU 30 -19.604 -20.395 -13.468 234 H ARG 31 H ARG 31 -21.188 -14.820 -12.413 235 HA ARG 31 HA ARG 31 -20.585 -15.691 -9.794 236 HB2 ARG 31 HB3 ARG 31 -19.934 -13.535 -9.349 237 HB3 ARG 31 HB2 ARG 31 -19.830 -13.535 -11.098 238 HG2 ARG 31 HG3 ARG 31 -22.051 -12.459 -11.190 239 HG3 ARG 31 HG2 ARG 31 -22.056 -12.409 -9.422 240 HD2 ARG 31 HD3 ARG 31 -20.059 -11.031 -9.432 241 HD3 ARG 31 HD2 ARG 31 -19.981 -11.117 -11.189 242 HE ARG 31 HE ARG 31 -22.252 -9.962 -11.074 243 HH11 ARG 31 HH11 ARG 31 -19.784 -9.540 -8.620 244 HH12 ARG 31 HH12 ARG 31 -20.239 -7.899 -8.264 245 HH21 ARG 31 HH21 ARG 31 -22.832 -7.798 -10.632 246 HH22 ARG 31 HH22 ARG 31 -21.971 -6.908 -9.410 247 H SER 32 H SER 32 -23.489 -14.385 -11.288 248 HA SER 32 HA SER 32 -24.859 -13.772 -8.901 249 HB2 SER 32 HB3 SER 32 -25.485 -12.976 -11.204 250 HB3 SER 32 HB2 SER 32 -26.103 -14.592 -11.538 251 HG SER 32 HG SER 32 -27.009 -13.318 -9.223 252 H HIS 33 H HIS 33 -24.464 -16.778 -10.682 253 HA HIS 33 HA HIS 33 -26.423 -18.111 -8.998 254 HB2 HIS 33 HB3 HIS 33 -24.834 -18.985 -11.401 255 HB3 HIS 33 HB2 HIS 33 -25.704 -20.148 -10.406 256 HD2 HIS 33 HD2 HIS 33 -26.639 -16.870 -12.408 257 HE1 HIS 33 HE1 HIS 33 -29.890 -19.573 -12.423 258 HE2 HIS 33 HE2 HIS 33 -29.128 -17.236 -13.035 259 H PHE 34 H PHE 34 -23.170 -17.364 -8.768 260 HA PHE 34 HA PHE 34 -22.740 -19.683 -7.015 261 HB2 PHE 34 HB3 PHE 34 -20.838 -18.058 -8.648 262 HB3 PHE 34 HB2 PHE 34 -20.256 -18.878 -7.203 263 HD1 PHE 34 HD1 PHE 34 -20.025 -21.245 -7.126 264 HD2 PHE 34 HD2 PHE 34 -21.720 -19.361 -10.543 265 HE1 PHE 34 HE1 PHE 34 -19.821 -23.348 -8.382 266 HE2 PHE 34 HE2 PHE 34 -21.519 -21.460 -11.807 267 HZ PHE 34 HZ PHE 34 -20.570 -23.462 -10.728 268 H GLU 35 H GLU 35 -22.994 -16.236 -7.066 269 HA GLU 35 HA GLU 35 -21.784 -15.743 -4.530 270 HB2 GLU 35 HB3 GLU 35 -23.745 -14.166 -6.181 271 HB3 GLU 35 HB2 GLU 35 -23.154 -13.604 -4.625 272 HG2 GLU 35 HG3 GLU 35 -20.868 -13.636 -5.485 273 HG3 GLU 35 HG2 GLU 35 -21.469 -14.191 -7.047 274 H GLN 36 H GLN 36 -24.208 -17.697 -5.077 275 HA GLN 36 HA GLN 36 -26.108 -16.758 -3.117 276 HB2 GLN 36 HB3 GLN 36 -25.929 -19.134 -4.935 277 HB3 GLN 36 HB2 GLN 36 -27.089 -19.107 -3.613 278 HG2 GLN 36 HG3 GLN 36 -28.228 -17.251 -4.516 279 HG3 GLN 36 HG2 GLN 36 -26.913 -16.888 -5.628 280 HE21 GLN 36 HE21 GLN 36 -26.559 -19.643 -6.454 281 HE22 GLN 36 HE22 GLN 36 -27.896 -20.021 -7.481 282 H TRP 37 H TRP 37 -23.411 -18.955 -3.275 283 HA TRP 37 HA TRP 37 -24.018 -19.823 -0.534 284 HB2 TRP 37 HB3 TRP 37 -22.228 -21.133 -2.598 285 HB3 TRP 37 HB2 TRP 37 -22.425 -21.689 -0.942 286 HD1 TRP 37 HD1 TRP 37 -24.582 -23.070 -0.356 287 HE1 TRP 37 HE1 TRP 37 -26.489 -24.077 -1.749 288 HE3 TRP 37 HE3 TRP 37 -23.667 -20.700 -4.786 289 HZ2 TRP 37 HZ2 TRP 37 -27.470 -23.897 -4.381 290 HZ3 TRP 37 HZ3 TRP 37 -25.140 -21.183 -6.693 291 HH2 TRP 37 HH2 TRP 37 -26.999 -22.746 -6.497 292 H GLY 38 H GLY 38 -22.457 -17.426 -1.912 293 HA2 GLY 38 HA3 GLY 38 -20.920 -16.731 0.262 294 HA3 GLY 38 HA2 GLY 38 -19.840 -17.659 -0.762 295 H THR 39 H THR 39 -18.757 -15.477 -0.532 296 HA THR 39 HA THR 39 -19.800 -13.479 -2.424 297 HB THR 39 HB THR 39 -17.745 -13.328 -0.216 298 HG1 THR 39 HG1 THR 39 -19.935 -13.188 0.434 299 HG21 THR 39 HG21 THR 39 -18.485 -11.191 -2.221 300 HG22 THR 39 HG22 THR 39 -16.907 -11.962 -2.031 301 HG23 THR 39 HG23 THR 39 -17.540 -10.920 -0.755 302 H LEU 40 H LEU 40 -18.858 -13.334 -4.422 303 HA LEU 40 HA LEU 40 -16.392 -14.822 -4.836 304 HB2 LEU 40 HB3 LEU 40 -17.976 -13.402 -6.955 305 HB3 LEU 40 HB2 LEU 40 -16.824 -14.709 -7.156 306 HG LEU 40 HG LEU 40 -19.605 -14.848 -6.083 307 HD11 LEU 40 HD11 LEU 40 -19.780 -16.628 -7.805 308 HD12 LEU 40 HD12 LEU 40 -18.184 -16.129 -8.374 309 HD13 LEU 40 HD13 LEU 40 -19.530 -14.997 -8.418 310 HD21 LEU 40 HD21 LEU 40 -18.421 -16.149 -4.529 311 HD22 LEU 40 HD22 LEU 40 -17.409 -16.855 -5.785 312 HD23 LEU 40 HD23 LEU 40 -19.119 -17.280 -5.689 313 H THR 41 H THR 41 -14.581 -13.824 -4.497 314 HA THR 41 HA THR 41 -14.292 -10.970 -4.788 315 HB THR 41 HB THR 41 -11.943 -11.394 -4.113 316 HG1 THR 41 HG1 THR 41 -11.252 -13.351 -4.623 317 HG21 THR 41 HG21 THR 41 -13.660 -11.078 -2.394 318 HG22 THR 41 HG22 THR 41 -12.419 -12.211 -1.853 319 HG23 THR 41 HG23 THR 41 -13.986 -12.812 -2.399 320 H ASP 42 H ASP 42 -13.636 -13.852 -6.608 321 HA ASP 42 HA ASP 42 -12.910 -12.204 -8.909 322 HB2 ASP 42 HB3 ASP 42 -11.164 -14.253 -7.665 323 HB3 ASP 42 HB2 ASP 42 -11.277 -14.278 -9.421 324 H CYS 43 H CYS 43 -14.858 -12.617 -9.846 325 HA CYS 43 HA CYS 43 -15.409 -15.412 -10.592 326 HB2 CYS 43 HB3 CYS 43 -17.660 -14.473 -11.262 327 HB3 CYS 43 HB2 CYS 43 -17.307 -14.403 -9.538 328 HG CYS 43 HG CYS 43 -17.353 -11.818 -11.775 329 H VAL 44 H VAL 44 -15.122 -16.006 -12.704 330 HA VAL 44 HA VAL 44 -15.113 -14.026 -14.799 331 HB VAL 44 HB VAL 44 -12.893 -13.651 -13.901 332 HG11 VAL 44 HG11 VAL 44 -12.502 -15.786 -12.820 333 HG12 VAL 44 HG12 VAL 44 -11.178 -15.404 -13.921 334 HG13 VAL 44 HG13 VAL 44 -12.402 -16.584 -14.391 335 HG21 VAL 44 HG21 VAL 44 -13.218 -13.481 -16.321 336 HG22 VAL 44 HG22 VAL 44 -12.744 -15.171 -16.497 337 HG23 VAL 44 HG23 VAL 44 -11.581 -13.985 -15.905 338 H VAL 45 H VAL 45 -15.803 -14.898 -16.616 339 HA VAL 45 HA VAL 45 -15.574 -17.817 -16.974 340 HB VAL 45 HB VAL 45 -17.450 -15.857 -18.320 341 HG11 VAL 45 HG11 VAL 45 -18.508 -17.823 -19.311 342 HG12 VAL 45 HG12 VAL 45 -17.280 -18.857 -18.581 343 HG13 VAL 45 HG13 VAL 45 -16.823 -17.682 -19.815 344 HG21 VAL 45 HG21 VAL 45 -18.038 -16.274 -15.996 345 HG22 VAL 45 HG22 VAL 45 -17.980 -18.014 -16.279 346 HG23 VAL 45 HG23 VAL 45 -19.207 -17.031 -17.079 347 H MET 46 H MET 46 -14.366 -18.612 -18.607 348 HA MET 46 HA MET 46 -12.770 -16.750 -20.142 349 HB2 MET 46 HB3 MET 46 -12.836 -19.768 -20.321 350 HB3 MET 46 HB2 MET 46 -11.584 -18.706 -20.942 351 HG2 MET 46 HG3 MET 46 -12.276 -19.119 -18.048 352 HG3 MET 46 HG2 MET 46 -10.897 -19.816 -18.898 353 HE1 MET 46 HE1 MET 46 -9.410 -18.977 -17.017 354 HE2 MET 46 HE2 MET 46 -10.677 -18.089 -16.160 355 HE3 MET 46 HE3 MET 46 -9.161 -17.285 -16.574 356 H ARG 47 H ARG 47 -12.887 -16.413 -22.367 357 HA ARG 47 HA ARG 47 -15.271 -17.601 -23.639 358 HB2 ARG 47 HB3 ARG 47 -13.953 -15.044 -24.543 359 HB3 ARG 47 HB2 ARG 47 -15.568 -15.631 -24.924 360 HG2 ARG 47 HG3 ARG 47 -14.638 -14.654 -22.230 361 HG3 ARG 47 HG2 ARG 47 -15.621 -13.747 -23.378 362 HD2 ARG 47 HD3 ARG 47 -17.366 -15.467 -23.212 363 HD3 ARG 47 HD2 ARG 47 -16.386 -16.329 -22.026 364 HE ARG 47 HE ARG 47 -16.601 -14.277 -20.626 365 HH11 ARG 47 HH11 ARG 47 -18.965 -15.024 -23.085 366 HH12 ARG 47 HH12 ARG 47 -20.249 -14.141 -22.311 367 HH21 ARG 47 HH21 ARG 47 -18.267 -13.110 -19.592 368 HH22 ARG 47 HH22 ARG 47 -19.852 -13.051 -20.321 369 H ASP 48 H ASP 48 -15.152 -18.136 -25.843 370 HA ASP 48 HA ASP 48 -12.739 -19.294 -26.731 371 HB2 ASP 48 HB3 ASP 48 -15.159 -19.832 -27.467 372 HB3 ASP 48 HB2 ASP 48 -14.986 -18.447 -28.535 373 HA PRO 49 HA PRO 49 -10.718 -15.637 -28.233 374 HB2 PRO 49 HB3 PRO 49 -9.028 -16.834 -30.020 375 HB3 PRO 49 HB2 PRO 49 -8.745 -16.793 -28.277 376 HG2 PRO 49 HG3 PRO 49 -9.890 -18.987 -29.960 377 HG3 PRO 49 HG2 PRO 49 -8.724 -19.091 -28.628 378 HD2 PRO 49 HD3 PRO 49 -11.329 -19.683 -28.292 379 HD3 PRO 49 HD2 PRO 49 -10.369 -18.912 -27.009 380 H ASN 50 H ASN 50 -12.489 -17.846 -30.184 381 HA ASN 50 HA ASN 50 -12.346 -16.063 -32.519 382 HB2 ASN 50 HB3 ASN 50 -13.611 -18.793 -32.525 383 HB3 ASN 50 HB2 ASN 50 -12.936 -17.889 -33.874 384 HD21 ASN 50 HD21 ASN 50 -12.264 -19.868 -31.112 385 HD22 ASN 50 HD22 ASN 50 -10.623 -20.259 -31.544 386 H THR 51 H THR 51 -14.723 -18.088 -30.785 387 HA THR 51 HA THR 51 -16.934 -16.740 -32.001 388 HB THR 51 HB THR 51 -18.358 -18.170 -30.751 389 HG1 THR 51 HG1 THR 51 -17.315 -19.497 -29.001 390 HG21 THR 51 HG21 THR 51 -17.050 -19.337 -32.459 391 HG22 THR 51 HG22 THR 51 -17.394 -20.397 -31.093 392 HG23 THR 51 HG23 THR 51 -15.792 -19.678 -31.269 393 H LYS 52 H LYS 52 -15.157 -16.442 -29.024 394 HA LYS 52 HA LYS 52 -15.205 -14.981 -27.294 395 HB2 LYS 52 HB3 LYS 52 -16.912 -13.269 -29.119 396 HB3 LYS 52 HB2 LYS 52 -16.044 -12.721 -27.691 397 HG2 LYS 52 HG3 LYS 52 -14.797 -13.802 -30.214 398 HG3 LYS 52 HG2 LYS 52 -14.866 -12.106 -29.730 399 HD2 LYS 52 HD3 LYS 52 -13.613 -14.151 -27.937 400 HD3 LYS 52 HD2 LYS 52 -12.707 -13.469 -29.287 401 HE2 LYS 52 HE3 LYS 52 -14.067 -11.792 -27.191 402 HE3 LYS 52 HE2 LYS 52 -12.391 -12.327 -27.066 403 HZ1 LYS 52 HZ1 LYS 52 -13.539 -10.618 -29.212 404 HZ2 LYS 52 HZ2 LYS 52 -11.949 -11.206 -29.193 405 HZ3 LYS 52 HZ3 LYS 52 -12.467 -10.124 -27.994 406 H ARG 53 H ARG 53 -17.209 -17.057 -27.565 407 HA ARG 53 HA ARG 53 -19.562 -15.860 -26.272 408 HB2 ARG 53 HB3 ARG 53 -19.111 -18.243 -27.937 409 HB3 ARG 53 HB2 ARG 53 -20.159 -18.519 -26.553 410 HG2 ARG 53 HG3 ARG 53 -21.449 -17.947 -28.523 411 HG3 ARG 53 HG2 ARG 53 -21.613 -16.704 -27.282 412 HD2 ARG 53 HD3 ARG 53 -19.860 -15.391 -28.465 413 HD3 ARG 53 HD2 ARG 53 -19.890 -16.598 -29.749 414 HE ARG 53 HE ARG 53 -22.506 -15.744 -29.392 415 HH11 ARG 53 HH11 ARG 53 -19.429 -14.377 -30.371 416 HH12 ARG 53 HH12 ARG 53 -20.150 -13.131 -31.348 417 HH21 ARG 53 HH21 ARG 53 -23.452 -14.125 -30.705 418 HH22 ARG 53 HH22 ARG 53 -22.432 -13.015 -31.573 419 H SER 54 H SER 54 -17.879 -18.961 -25.918 420 HA SER 54 HA SER 54 -17.157 -18.444 -23.201 421 HB2 SER 54 HB3 SER 54 -19.552 -18.978 -22.905 422 HB3 SER 54 HB2 SER 54 -19.314 -20.504 -23.755 423 HG SER 54 HG SER 54 -19.262 -20.494 -21.343 424 H ARG 55 H ARG 55 -15.970 -20.242 -22.291 425 HA ARG 55 HA ARG 55 -14.703 -21.873 -24.373 426 HB2 ARG 55 HB3 ARG 55 -13.867 -21.061 -21.594 427 HB3 ARG 55 HB2 ARG 55 -13.012 -22.272 -22.520 428 HG2 ARG 55 HG3 ARG 55 -13.482 -19.513 -23.567 429 HG3 ARG 55 HG2 ARG 55 -12.090 -19.922 -22.566 430 HD2 ARG 55 HD3 ARG 55 -12.764 -21.415 -25.086 431 HD3 ARG 55 HD2 ARG 55 -11.754 -19.969 -25.085 432 HE ARG 55 HE ARG 55 -11.055 -22.606 -24.086 433 HH11 ARG 55 HH11 ARG 55 -10.268 -19.187 -24.173 434 HH12 ARG 55 HH12 ARG 55 -8.588 -19.425 -23.788 435 HH21 ARG 55 HH21 ARG 55 -8.831 -22.930 -23.590 436 HH22 ARG 55 HH22 ARG 55 -7.778 -21.550 -23.462 437 H GLY 56 H GLY 56 -17.154 -22.107 -22.228 438 HA2 GLY 56 HA3 GLY 56 -18.379 -24.002 -21.649 439 HA3 GLY 56 HA2 GLY 56 -17.034 -25.009 -22.175 440 H PHE 57 H PHE 57 -16.121 -22.457 -20.149 441 HA PHE 57 HA PHE 57 -16.634 -23.706 -17.647 442 HB2 PHE 57 HB3 PHE 57 -14.226 -24.049 -17.019 443 HB3 PHE 57 HB2 PHE 57 -14.854 -25.199 -18.189 444 HD1 PHE 57 HD1 PHE 57 -12.918 -22.018 -17.991 445 HD2 PHE 57 HD2 PHE 57 -13.677 -25.633 -20.095 446 HE1 PHE 57 HE1 PHE 57 -11.030 -21.529 -19.490 447 HE2 PHE 57 HE2 PHE 57 -11.800 -25.141 -21.616 448 HZ PHE 57 HZ PHE 57 -10.474 -23.089 -21.313 449 H GLY 58 H GLY 58 -15.756 -22.527 -15.848 450 HA2 GLY 58 HA3 GLY 58 -14.631 -19.901 -16.382 451 HA3 GLY 58 HA2 GLY 58 -16.259 -19.914 -15.711 452 H PHE 59 H PHE 59 -14.609 -18.669 -14.145 453 HA PHE 59 HA PHE 59 -13.958 -20.628 -12.057 454 HB2 PHE 59 HB3 PHE 59 -12.302 -18.258 -12.914 455 HB3 PHE 59 HB2 PHE 59 -12.050 -19.120 -11.402 456 HD1 PHE 59 HD1 PHE 59 -11.336 -21.479 -11.432 457 HD2 PHE 59 HD2 PHE 59 -11.549 -19.142 -14.977 458 HE1 PHE 59 HE1 PHE 59 -9.899 -23.105 -12.587 459 HE2 PHE 59 HE2 PHE 59 -10.117 -20.768 -16.141 460 HZ PHE 59 HZ PHE 59 -9.290 -22.753 -14.946 461 H VAL 60 H VAL 60 -14.117 -19.931 -9.958 462 HA VAL 60 HA VAL 60 -15.482 -17.418 -9.412 463 HB VAL 60 HB VAL 60 -17.431 -18.600 -9.750 464 HG11 VAL 60 HG11 VAL 60 -17.811 -20.917 -9.050 465 HG12 VAL 60 HG12 VAL 60 -16.145 -21.001 -8.480 466 HG13 VAL 60 HG13 VAL 60 -16.477 -20.768 -10.194 467 HG21 VAL 60 HG21 VAL 60 -16.809 -19.182 -6.871 468 HG22 VAL 60 HG22 VAL 60 -18.412 -19.043 -7.599 469 HG23 VAL 60 HG23 VAL 60 -17.353 -17.633 -7.508 470 H THR 61 H THR 61 -14.073 -16.622 -8.040 471 HA THR 61 HA THR 61 -12.875 -18.352 -5.997 472 HB THR 61 HB THR 61 -12.171 -15.461 -6.471 473 HG1 THR 61 HG1 THR 61 -12.058 -16.610 -8.481 474 HG21 THR 61 HG21 THR 61 -10.576 -17.837 -5.498 475 HG22 THR 61 HG22 THR 61 -11.236 -16.550 -4.487 476 HG23 THR 61 HG23 THR 61 -9.970 -16.190 -5.661 477 H TYR 62 H TYR 62 -13.757 -18.362 -4.034 478 HA TYR 62 HA TYR 62 -15.713 -16.326 -3.337 479 HB2 TYR 62 HB3 TYR 62 -14.886 -18.943 -2.087 480 HB3 TYR 62 HB2 TYR 62 -15.946 -17.813 -1.254 481 HD1 TYR 62 HD1 TYR 62 -18.224 -17.640 -1.807 482 HD2 TYR 62 HD2 TYR 62 -15.639 -19.952 -4.260 483 HE1 TYR 62 HE1 TYR 62 -20.177 -18.576 -2.968 484 HE2 TYR 62 HE2 TYR 62 -17.584 -20.888 -5.433 485 HH TYR 62 HH TYR 62 -20.747 -19.623 -5.049 486 H ALA 63 H ALA 63 -15.658 -15.762 -0.859 487 HA ALA 63 HA ALA 63 -13.296 -14.175 -0.519 488 HB1 ALA 63 HB1 ALA 63 -15.573 -14.651 1.406 489 HB2 ALA 63 HB2 ALA 63 -15.536 -13.398 0.162 490 HB3 ALA 63 HB3 ALA 63 -14.378 -13.355 1.494 491 H THR 64 H THR 64 -14.635 -17.072 0.927 492 HA THR 64 HA THR 64 -12.005 -17.673 2.047 493 HB THR 64 HB THR 64 -13.147 -16.803 3.969 494 HG1 THR 64 HG1 THR 64 -13.081 -18.620 5.300 495 HG21 THR 64 HG21 THR 64 -15.414 -18.691 3.338 496 HG22 THR 64 HG22 THR 64 -15.440 -16.941 3.104 497 HG23 THR 64 HG23 THR 64 -15.310 -17.613 4.731 498 H VAL 65 H VAL 65 -11.829 -19.988 2.654 499 HA VAL 65 HA VAL 65 -12.573 -21.606 0.480 500 HB VAL 65 HB VAL 65 -11.712 -23.507 1.871 501 HG11 VAL 65 HG11 VAL 65 -9.395 -22.711 1.886 502 HG12 VAL 65 HG12 VAL 65 -9.967 -21.051 1.718 503 HG13 VAL 65 HG13 VAL 65 -10.240 -22.213 0.421 504 HG21 VAL 65 HG21 VAL 65 -11.245 -21.325 3.906 505 HG22 VAL 65 HG22 VAL 65 -10.622 -22.973 4.005 506 HG23 VAL 65 HG23 VAL 65 -12.360 -22.682 4.073 507 H GLU 66 H GLU 66 -14.065 -21.024 3.569 508 HA GLU 66 HA GLU 66 -15.710 -23.253 3.820 509 HB2 GLU 66 HB3 GLU 66 -16.140 -20.388 4.661 510 HB3 GLU 66 HB2 GLU 66 -17.193 -21.711 5.145 511 HG2 GLU 66 HG3 GLU 66 -14.246 -21.569 5.727 512 HG3 GLU 66 HG2 GLU 66 -15.520 -21.102 6.852 513 H GLU 67 H GLU 67 -16.155 -20.308 1.959 514 HA GLU 67 HA GLU 67 -18.882 -20.829 1.319 515 HB2 GLU 67 HB3 GLU 67 -16.985 -19.031 -0.179 516 HB3 GLU 67 HB2 GLU 67 -18.739 -18.923 -0.111 517 HG2 GLU 67 HG3 GLU 67 -18.479 -18.510 2.367 518 HG3 GLU 67 HG2 GLU 67 -16.758 -18.313 2.051 519 H VAL 68 H VAL 68 -15.790 -21.394 -0.257 520 HA VAL 68 HA VAL 68 -16.715 -22.441 -2.688 521 HB VAL 68 HB VAL 68 -14.219 -22.997 -1.089 522 HG11 VAL 68 HG11 VAL 68 -14.905 -24.119 -3.807 523 HG12 VAL 68 HG12 VAL 68 -14.747 -25.047 -2.315 524 HG13 VAL 68 HG13 VAL 68 -13.339 -24.240 -3.005 525 HG21 VAL 68 HG21 VAL 68 -14.715 -21.610 -3.715 526 HG22 VAL 68 HG22 VAL 68 -13.147 -21.801 -2.930 527 HG23 VAL 68 HG23 VAL 68 -14.400 -20.820 -2.168 528 H ASP 69 H ASP 69 -15.961 -24.062 0.378 529 HA ASP 69 HA ASP 69 -16.648 -26.652 -0.433 530 HB2 ASP 69 HB3 ASP 69 -16.592 -25.346 2.282 531 HB3 ASP 69 HB2 ASP 69 -17.015 -27.042 2.069 532 H ALA 70 H ALA 70 -18.644 -24.018 0.815 533 HA ALA 70 HA ALA 70 -20.984 -25.547 1.233 534 HB1 ALA 70 HB1 ALA 70 -22.176 -23.429 1.217 535 HB2 ALA 70 HB2 ALA 70 -20.772 -22.623 0.519 536 HB3 ALA 70 HB3 ALA 70 -20.684 -23.290 2.149 537 H ALA 71 H ALA 71 -19.810 -23.698 -1.556 538 HA ALA 71 HA ALA 71 -22.005 -24.219 -3.254 539 HB1 ALA 71 HB1 ALA 71 -20.540 -23.537 -5.069 540 HB2 ALA 71 HB2 ALA 71 -19.134 -23.697 -4.015 541 HB3 ALA 71 HB3 ALA 71 -20.348 -22.456 -3.688 542 H MET 72 H MET 72 -19.146 -26.039 -2.415 543 HA MET 72 HA MET 72 -19.357 -27.978 -4.475 544 HB2 MET 72 HB3 MET 72 -18.065 -28.131 -1.751 545 HB3 MET 72 HB2 MET 72 -17.945 -29.389 -2.967 546 HG2 MET 72 HG3 MET 72 -16.958 -27.602 -4.488 547 HG3 MET 72 HG2 MET 72 -16.813 -26.622 -3.033 548 HE1 MET 72 HE1 MET 72 -14.188 -26.662 -4.056 549 HE2 MET 72 HE2 MET 72 -14.572 -27.955 -5.195 550 HE3 MET 72 HE3 MET 72 -13.221 -28.137 -4.074 551 H ASN 73 H ASN 73 -20.573 -27.831 -1.142 552 HA ASN 73 HA ASN 73 -21.806 -30.386 -1.185 553 HB2 ASN 73 HB3 ASN 73 -22.317 -27.926 0.488 554 HB3 ASN 73 HB2 ASN 73 -23.248 -29.405 0.688 555 HD21 ASN 73 HD21 ASN 73 -20.218 -27.837 1.190 556 HD22 ASN 73 HD22 ASN 73 -19.503 -29.070 2.170 557 H ALA 74 H ALA 74 -22.544 -27.492 -2.740 558 HA ALA 74 HA ALA 74 -25.400 -27.975 -2.897 559 HB1 ALA 74 HB1 ALA 74 -23.729 -25.789 -4.129 560 HB2 ALA 74 HB2 ALA 74 -24.564 -25.688 -2.576 561 HB3 ALA 74 HB3 ALA 74 -25.490 -25.849 -4.072 562 H ARG 75 H ARG 75 -22.813 -29.266 -4.471 563 HA ARG 75 HA ARG 75 -23.902 -29.179 -7.139 564 HB2 ARG 75 HB3 ARG 75 -22.037 -30.521 -7.811 565 HB3 ARG 75 HB2 ARG 75 -21.440 -29.289 -6.710 566 HG2 ARG 75 HG3 ARG 75 -21.508 -31.002 -4.891 567 HG3 ARG 75 HG2 ARG 75 -21.884 -32.205 -6.128 568 HD2 ARG 75 HD3 ARG 75 -19.809 -31.782 -7.255 569 HD3 ARG 75 HD2 ARG 75 -19.456 -30.419 -6.194 570 HE ARG 75 HE ARG 75 -19.781 -32.752 -4.646 571 HH11 ARG 75 HH11 ARG 75 -17.533 -31.265 -6.886 572 HH12 ARG 75 HH12 ARG 75 -16.146 -32.106 -6.267 573 HH21 ARG 75 HH21 ARG 75 -17.958 -33.860 -3.812 574 HH22 ARG 75 HH22 ARG 75 -16.386 -33.578 -4.512 575 HA PRO 76 HA PRO 76 -23.568 -31.003 -9.035 576 HB2 PRO 76 HB3 PRO 76 -26.344 -31.364 -10.010 577 HB3 PRO 76 HB2 PRO 76 -24.830 -32.002 -10.660 578 HG2 PRO 76 HG3 PRO 76 -26.554 -33.584 -9.367 579 HG3 PRO 76 HG2 PRO 76 -24.800 -33.795 -9.203 580 HD2 PRO 76 HD3 PRO 76 -26.743 -32.531 -7.312 581 HD3 PRO 76 HD2 PRO 76 -25.346 -33.571 -6.966 582 H HIS 77 H HIS 77 -23.337 -28.981 -9.626 583 HA HIS 77 HA HIS 77 -25.027 -26.976 -8.432 584 HB2 HIS 77 HB3 HIS 77 -22.423 -26.980 -8.733 585 HB3 HIS 77 HB2 HIS 77 -22.794 -26.357 -10.339 586 HD2 HIS 77 HD2 HIS 77 -22.459 -25.165 -6.737 587 HE1 HIS 77 HE1 HIS 77 -24.111 -21.989 -9.001 588 HE2 HIS 77 HE2 HIS 77 -22.919 -22.614 -6.852 589 H LYS 78 H LYS 78 -25.628 -25.033 -9.817 590 HA LYS 78 HA LYS 78 -26.576 -25.822 -12.462 591 HB2 LYS 78 HB3 LYS 78 -28.349 -26.503 -10.894 592 HB3 LYS 78 HB2 LYS 78 -28.403 -24.874 -10.239 593 HG2 LYS 78 HG3 LYS 78 -30.245 -25.192 -11.742 594 HG3 LYS 78 HG2 LYS 78 -29.111 -24.041 -12.450 595 HD2 LYS 78 HD3 LYS 78 -29.868 -25.584 -14.150 596 HD3 LYS 78 HD2 LYS 78 -28.158 -25.866 -13.814 597 HE2 LYS 78 HE3 LYS 78 -29.309 -27.981 -14.008 598 HE3 LYS 78 HE2 LYS 78 -28.785 -27.742 -12.343 599 HZ1 LYS 78 HZ1 LYS 78 -31.019 -28.603 -12.405 600 HZ2 LYS 78 HZ2 LYS 78 -31.534 -27.321 -13.391 601 HZ3 LYS 78 HZ3 LYS 78 -31.047 -27.020 -11.794 602 H VAL 79 H VAL 79 -25.742 -24.227 -13.662 603 HA VAL 79 HA VAL 79 -26.546 -21.493 -12.998 604 HB VAL 79 HB VAL 79 -24.318 -21.397 -12.217 605 HG11 VAL 79 HG11 VAL 79 -22.385 -22.194 -13.500 606 HG12 VAL 79 HG12 VAL 79 -23.485 -22.878 -14.697 607 HG13 VAL 79 HG13 VAL 79 -23.488 -23.491 -13.041 608 HG21 VAL 79 HG21 VAL 79 -24.280 -20.422 -15.073 609 HG22 VAL 79 HG22 VAL 79 -23.166 -19.924 -13.797 610 HG23 VAL 79 HG23 VAL 79 -24.881 -19.530 -13.673 611 H ASP 80 H ASP 80 -27.383 -20.465 -14.682 612 HA ASP 80 HA ASP 80 -28.129 -19.997 -16.778 613 HB2 ASP 80 HB3 ASP 80 -25.678 -19.963 -17.344 614 HB3 ASP 80 HB2 ASP 80 -25.809 -21.659 -17.795 615 H GLY 81 H GLY 81 -28.723 -22.540 -15.241 616 HA2 GLY 81 HA3 GLY 81 -30.261 -24.250 -15.575 617 HA3 GLY 81 HA2 GLY 81 -30.313 -23.835 -17.283 618 H ARG 82 H ARG 82 -27.166 -24.125 -16.262 619 HA ARG 82 HA ARG 82 -26.965 -26.760 -17.533 620 HB2 ARG 82 HB3 ARG 82 -25.767 -24.889 -18.611 621 HB3 ARG 82 HB2 ARG 82 -24.879 -24.603 -17.122 622 HG2 ARG 82 HG3 ARG 82 -23.564 -25.805 -18.804 623 HG3 ARG 82 HG2 ARG 82 -23.777 -26.736 -17.324 624 HD2 ARG 82 HD3 ARG 82 -24.065 -28.132 -19.304 625 HD3 ARG 82 HD2 ARG 82 -25.557 -28.017 -18.371 626 HE ARG 82 HE ARG 82 -25.448 -26.055 -20.443 627 HH11 ARG 82 HH11 ARG 82 -26.094 -29.431 -19.793 628 HH12 ARG 82 HH12 ARG 82 -27.131 -29.638 -21.174 629 HH21 ARG 82 HH21 ARG 82 -26.840 -26.299 -22.254 630 HH22 ARG 82 HH22 ARG 82 -27.588 -27.845 -22.553 631 H VAL 83 H VAL 83 -26.400 -28.461 -16.330 632 HA VAL 83 HA VAL 83 -25.706 -28.140 -13.559 633 HB VAL 83 HB VAL 83 -25.726 -30.645 -15.252 634 HG11 VAL 83 HG11 VAL 83 -25.803 -31.837 -13.106 635 HG12 VAL 83 HG12 VAL 83 -25.618 -30.299 -12.261 636 HG13 VAL 83 HG13 VAL 83 -24.319 -30.900 -13.293 637 HG21 VAL 83 HG21 VAL 83 -27.810 -29.573 -13.357 638 HG22 VAL 83 HG22 VAL 83 -27.879 -31.118 -14.208 639 HG23 VAL 83 HG23 VAL 83 -27.931 -29.607 -15.117 640 H VAL 84 H VAL 84 -23.736 -27.481 -13.040 641 HA VAL 84 HA VAL 84 -21.484 -28.312 -14.734 642 HB VAL 84 HB VAL 84 -20.261 -26.396 -13.819 643 HG11 VAL 84 HG11 VAL 84 -22.973 -25.673 -14.920 644 HG12 VAL 84 HG12 VAL 84 -21.546 -26.104 -15.863 645 HG13 VAL 84 HG13 VAL 84 -21.556 -24.623 -14.905 646 HG21 VAL 84 HG21 VAL 84 -21.306 -26.270 -11.623 647 HG22 VAL 84 HG22 VAL 84 -22.829 -25.775 -12.362 648 HG23 VAL 84 HG23 VAL 84 -21.420 -24.719 -12.453 649 H GLU 85 H GLU 85 -19.357 -28.317 -13.449 650 HA GLU 85 HA GLU 85 -19.774 -29.663 -10.871 651 HB2 GLU 85 HB3 GLU 85 -19.260 -31.340 -12.572 652 HB3 GLU 85 HB2 GLU 85 -17.822 -30.445 -13.044 653 HG2 GLU 85 HG3 GLU 85 -16.821 -30.854 -10.881 654 HG3 GLU 85 HG2 GLU 85 -18.284 -31.678 -10.339 655 HA PRO 86 HA PRO 86 -16.768 -26.467 -9.953 656 HB2 PRO 86 HB3 PRO 86 -17.709 -26.148 -7.365 657 HB3 PRO 86 HB2 PRO 86 -18.294 -25.281 -8.785 658 HG2 PRO 86 HG3 PRO 86 -19.691 -27.217 -7.205 659 HG3 PRO 86 HG2 PRO 86 -20.272 -26.352 -8.634 660 HD2 PRO 86 HD3 PRO 86 -19.206 -29.091 -8.399 661 HD3 PRO 86 HD2 PRO 86 -20.262 -28.391 -9.643 662 H LYS 87 H LYS 87 -14.758 -27.058 -9.511 663 HA LYS 87 HA LYS 87 -14.267 -28.846 -7.220 664 HB2 LYS 87 HB3 LYS 87 -12.857 -28.902 -9.897 665 HB3 LYS 87 HB2 LYS 87 -12.433 -29.888 -8.505 666 HG2 LYS 87 HG3 LYS 87 -14.626 -30.968 -8.602 667 HG3 LYS 87 HG2 LYS 87 -15.045 -29.978 -10.000 668 HD2 LYS 87 HD3 LYS 87 -12.775 -31.959 -9.866 669 HD3 LYS 87 HD2 LYS 87 -14.331 -32.234 -10.649 670 HE2 LYS 87 HE3 LYS 87 -13.864 -30.313 -12.145 671 HE3 LYS 87 HE2 LYS 87 -12.271 -30.164 -11.405 672 HZ1 LYS 87 HZ1 LYS 87 -11.932 -32.556 -12.092 673 HZ2 LYS 87 HZ2 LYS 87 -11.952 -31.410 -13.341 674 HZ3 LYS 87 HZ3 LYS 87 -13.312 -32.382 -13.064 675 H ARG 88 H ARG 88 -12.105 -28.621 -6.271 676 HA ARG 88 HA ARG 88 -11.368 -25.951 -5.809 677 HB2 ARG 88 HB3 ARG 88 -10.664 -28.449 -4.761 678 HB3 ARG 88 HB2 ARG 88 -9.161 -27.799 -5.395 679 HG2 ARG 88 HG3 ARG 88 -9.343 -27.189 -3.090 680 HG3 ARG 88 HG2 ARG 88 -9.556 -25.733 -4.067 681 HD2 ARG 88 HD3 ARG 88 -11.938 -25.837 -3.793 682 HD3 ARG 88 HD2 ARG 88 -11.822 -27.389 -2.973 683 HE ARG 88 HE ARG 88 -10.570 -25.018 -1.770 684 HH11 ARG 88 HH11 ARG 88 -12.956 -27.583 -1.666 685 HH12 ARG 88 HH12 ARG 88 -13.493 -27.204 -0.058 686 HH21 ARG 88 HH21 ARG 88 -11.285 -24.524 0.367 687 HH22 ARG 88 HH22 ARG 88 -12.565 -25.458 1.086 688 H ALA 89 H ALA 89 -10.198 -24.574 -6.959 689 HA ALA 89 HA ALA 89 -9.267 -25.314 -9.543 690 HB1 ALA 89 HB1 ALA 89 -8.900 -22.736 -8.025 691 HB2 ALA 89 HB2 ALA 89 -10.241 -23.126 -9.102 692 HB3 ALA 89 HB3 ALA 89 -8.606 -22.971 -9.747 693 H VAL 90 H VAL 90 -7.138 -24.972 -10.371 694 HA VAL 90 HA VAL 90 -5.008 -25.465 -8.406 695 HB VAL 90 HB VAL 90 -4.948 -26.023 -11.381 696 HG11 VAL 90 HG11 VAL 90 -2.949 -27.339 -10.852 697 HG12 VAL 90 HG12 VAL 90 -3.068 -26.830 -9.167 698 HG13 VAL 90 HG13 VAL 90 -2.751 -25.638 -10.429 699 HG21 VAL 90 HG21 VAL 90 -5.170 -28.390 -10.793 700 HG22 VAL 90 HG22 VAL 90 -6.586 -27.462 -10.300 701 HG23 VAL 90 HG23 VAL 90 -5.388 -27.948 -9.099 702 H SER 91 H SER 91 -3.168 -24.128 -8.456 703 HA SER 91 HA SER 91 -3.584 -21.507 -9.412 704 HB2 SER 91 HB3 SER 91 -2.137 -21.950 -7.482 705 HB3 SER 91 HB2 SER 91 -1.006 -22.823 -8.516 706 HG SER 91 HG SER 91 -0.569 -20.497 -8.023 707 H ARG 92 H ARG 92 -2.849 -20.462 -11.228 708 HA ARG 92 HA ARG 92 -2.141 -22.009 -13.507 709 HB2 ARG 92 HB3 ARG 92 -1.795 -19.819 -14.638 710 HB3 ARG 92 HB2 ARG 92 -3.355 -19.943 -13.840 711 HG2 ARG 92 HG3 ARG 92 -1.186 -18.744 -12.246 712 HG3 ARG 92 HG2 ARG 92 -1.734 -17.813 -13.641 713 HD2 ARG 92 HD3 ARG 92 -3.938 -17.684 -12.821 714 HD3 ARG 92 HD2 ARG 92 -3.658 -18.955 -11.633 715 HE ARG 92 HE ARG 92 -1.892 -16.906 -11.024 716 HH11 ARG 92 HH11 ARG 92 -5.378 -17.239 -11.265 717 HH12 ARG 92 HH12 ARG 92 -5.703 -16.144 -9.957 718 HH21 ARG 92 HH21 ARG 92 -2.319 -15.478 -9.303 719 HH22 ARG 92 HH22 ARG 92 -3.967 -15.148 -8.835 720 H GLU 93 H GLU 93 -0.408 -20.848 -10.898 721 HA GLU 93 HA GLU 93 2.169 -20.652 -12.180 722 HB2 GLU 93 HB3 GLU 93 1.414 -20.837 -9.258 723 HB3 GLU 93 HB2 GLU 93 2.995 -20.397 -9.884 724 HG2 GLU 93 HG3 GLU 93 2.146 -18.373 -10.810 725 HG3 GLU 93 HG2 GLU 93 0.485 -18.849 -10.463 726 H ASP 94 H ASP 94 0.157 -23.081 -10.888 727 HA ASP 94 HA ASP 94 2.365 -25.012 -10.676 728 HB2 ASP 94 HB3 ASP 94 -0.437 -24.977 -9.571 729 HB3 ASP 94 HB2 ASP 94 0.539 -26.443 -9.583 730 H SER 95 H SER 95 -0.223 -24.039 -12.618 731 HA SER 95 HA SER 95 -0.667 -26.614 -13.853 732 HB2 SER 95 HB3 SER 95 -2.571 -25.115 -13.594 733 HB3 SER 95 HB2 SER 95 -1.740 -23.859 -14.511 734 HG SER 95 HG SER 95 -2.343 -24.777 -16.299 735 H GLN 96 H GLN 96 0.227 -27.330 -15.683 736 HA GLN 96 HA GLN 96 2.437 -25.997 -16.861 737 HB2 GLN 96 HB3 GLN 96 0.807 -28.322 -17.907 738 HB3 GLN 96 HB2 GLN 96 2.365 -27.809 -18.535 739 HG2 GLN 96 HG3 GLN 96 3.412 -28.342 -16.401 740 HG3 GLN 96 HG2 GLN 96 1.848 -28.839 -15.756 741 HE21 GLN 96 HE21 GLN 96 2.828 -29.472 -19.040 742 HE22 GLN 96 HE22 GLN 96 2.994 -31.183 -18.874 743 H ARG 97 H ARG 97 -0.968 -26.232 -17.647 744 HA ARG 97 HA ARG 97 -0.562 -24.704 -20.107 745 HB2 ARG 97 HB3 ARG 97 -2.796 -25.275 -20.713 746 HB3 ARG 97 HB2 ARG 97 -2.058 -26.741 -20.085 747 HG2 ARG 97 HG3 ARG 97 -3.192 -26.423 -17.960 748 HG3 ARG 97 HG2 ARG 97 -3.908 -24.925 -18.556 749 HD2 ARG 97 HD3 ARG 97 -5.586 -26.539 -18.821 750 HD3 ARG 97 HD2 ARG 97 -4.897 -26.334 -20.430 751 HE ARG 97 HE ARG 97 -3.887 -28.508 -18.757 752 HH11 ARG 97 HH11 ARG 97 -5.722 -27.477 -21.561 753 HH12 ARG 97 HH12 ARG 97 -5.897 -29.088 -22.190 754 HH21 ARG 97 HH21 ARG 97 -4.126 -30.605 -19.559 755 HH22 ARG 97 HH22 ARG 97 -4.984 -30.876 -21.051 756 H5' U 1 H5' U 1 -16.281 -30.232 -20.191 757 H5'' U 1 H5'' U 1 -17.470 -28.953 -20.493 758 H4' U 1 H4' U 1 -15.671 -30.380 -22.390 759 H3' U 1 H3' U 1 -15.316 -27.935 -21.440 760 H2' U 1 H2' U 1 -17.470 -27.005 -21.988 761 HO2' U 1 HO2' U 1 -15.814 -26.686 -24.290 762 H1' U 1 H1' U 1 -17.406 -28.295 -24.747 763 H3 U 1 H3 U 1 -21.721 -27.785 -25.610 764 H5 U 1 H5 U 1 -21.577 -27.320 -21.441 765 H6 U 1 H6 U 1 -19.221 -27.801 -21.545 766 HO5' U 1 HO5' U 1 -18.393 -30.887 -21.867 767 H5' U 2 H5' U 2 -14.826 -28.418 -20.196 768 H5'' U 2 H5'' U 2 -14.205 -26.815 -20.632 769 H4' U 2 H4' U 2 -12.698 -26.769 -18.977 770 H3' U 2 H3' U 2 -11.691 -29.152 -19.793 771 H2' U 2 H2' U 2 -13.267 -30.560 -18.632 772 HO2' U 2 HO2' U 2 -11.352 -29.863 -16.628 773 H1' U 2 H1' U 2 -13.136 -28.577 -16.282 774 H3 U 2 H3 U 2 -16.109 -30.876 -13.875 775 H5 U 2 H5 U 2 -17.570 -31.291 -17.789 776 H6 U 2 H6 U 2 -15.630 -30.079 -18.556 777 H5' A 3 H5' A 3 -10.863 -24.924 -18.364 778 H5'' A 3 H5'' A 3 -9.714 -24.894 -19.717 779 H4' A 3 H4' A 3 -9.448 -22.952 -18.254 780 H3' A 3 H3' A 3 -7.350 -24.114 -19.332 781 H2' A 3 H2' A 3 -7.182 -25.928 -17.696 782 HO2' A 3 HO2' A 3 -5.553 -23.848 -16.620 783 H1' A 3 H1' A 3 -7.368 -23.811 -15.484 784 H8 A 3 H8 A 3 -7.837 -27.452 -16.545 785 H61 A 3 H61 A 3 -8.815 -29.275 -12.131 786 H62 A 3 H62 A 3 -9.090 -28.534 -10.569 787 H2 A 3 H2 A 3 -8.786 -24.098 -11.164 788 H5' G 4 H5' G 4 -7.914 -20.916 -19.071 789 H5'' G 4 H5'' G 4 -7.474 -19.824 -20.398 790 H4' G 4 H4' G 4 -7.527 -18.239 -18.863 791 H3' G 4 H3' G 4 -4.833 -19.187 -18.814 792 H2' G 4 H2' G 4 -4.874 -19.800 -16.511 793 HO2' G 4 HO2' G 4 -4.395 -17.143 -16.840 794 H1' G 4 H1' G 4 -7.168 -17.759 -16.232 795 H8 G 4 H8 G 4 -8.232 -17.799 -13.970 796 H1 G 4 H1 G 4 -5.952 -23.645 -12.651 797 H21 G 4 H21 G 4 -4.407 -23.409 -15.746 798 H22 G 4 H22 G 4 -4.692 -24.363 -14.307 799 H5' G 5 H5' G 5 -5.742 -14.050 -18.390 800 H5'' G 5 H5'' G 5 -6.636 -15.546 -18.058 801 H4' G 5 H4' G 5 -7.918 -13.867 -20.057 802 H3' G 5 H3' G 5 -7.011 -12.454 -17.681 803 H2' G 5 H2' G 5 -9.095 -12.035 -16.676 804 HO2' G 5 HO2' G 5 -10.301 -12.674 -19.186 805 H1' G 5 H1' G 5 -10.510 -14.320 -17.337 806 H8 G 5 H8 G 5 -7.610 -16.154 -16.694 807 H1 G 5 H1 G 5 -9.462 -13.229 -11.291 808 H21 G 5 H21 G 5 -11.346 -11.216 -13.393 809 H22 G 5 H22 G 5 -10.860 -11.593 -11.754 810 H5' U 6 H5' U 6 -4.942 -12.090 -20.847 811 H5'' U 6 H5'' U 6 -5.603 -13.243 -19.672 812 H4' U 6 H4' U 6 -2.835 -12.348 -20.134 813 H3' U 6 H3' U 6 -3.904 -14.796 -20.372 814 H2' U 6 H2' U 6 -4.581 -15.067 -18.067 815 HO2' U 6 HO2' U 6 -2.969 -16.709 -18.650 816 H1' U 6 H1' U 6 -1.914 -13.813 -17.210 817 H3 U 6 H3 U 6 -2.868 -13.456 -12.894 818 H5 U 6 H5 U 6 -6.683 -13.681 -14.633 819 H6 U 6 H6 U 6 -5.613 -13.793 -16.786 820 H5' C 7 H5' C 7 -2.614 -17.079 -23.406 821 H5'' C 7 H5'' C 7 -0.971 -16.480 -23.106 822 H4' C 7 H4' C 7 -0.945 -15.627 -25.124 823 H3' C 7 H3' C 7 -2.963 -13.781 -23.947 824 HO3' C 7 HO3' C 7 -1.482 -12.324 -24.663 825 H2' C 7 H2' C 7 -3.735 -13.084 -26.101 826 HO2' C 7 HO2' C 7 -1.979 -12.887 -27.371 827 H1' C 7 H1' C 7 -3.917 -15.583 -27.241 828 H41 C 7 H41 C 7 -8.857 -15.411 -22.858 829 H42 C 7 H42 C 7 -9.549 -14.938 -24.394 830 H5 C 7 H5 C 7 -6.484 -15.793 -22.547 831 H6 C 7 H6 C 7 -4.307 -15.806 -23.645 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -14.625 -6.086 -3.600 2 H2 ALA 1 H2 ALA 1 -16.247 -5.603 -3.717 3 H3 ALA 1 H3 ALA 1 -15.054 -4.477 -3.282 4 HA ALA 1 HA ALA 1 -15.199 -5.874 -5.891 5 HB1 ALA 1 HB1 ALA 1 -15.924 -3.023 -5.214 6 HB2 ALA 1 HB2 ALA 1 -17.065 -4.313 -5.600 7 HB3 ALA 1 HB3 ALA 1 -15.928 -3.746 -6.823 8 H SER 2 H SER 2 -13.134 -6.205 -6.400 9 HA SER 2 HA SER 2 -10.981 -5.818 -6.979 10 HB2 SER 2 HB3 SER 2 -11.652 -2.874 -6.776 11 HB3 SER 2 HB2 SER 2 -10.314 -3.597 -7.671 12 HG SER 2 HG SER 2 -12.164 -4.805 -8.767 13 H LYS 3 H LYS 3 -10.031 -6.688 -5.169 14 HA LYS 3 HA LYS 3 -8.977 -4.719 -3.260 15 HB2 LYS 3 HB3 LYS 3 -9.173 -6.462 -1.456 16 HB3 LYS 3 HB2 LYS 3 -10.705 -5.808 -2.014 17 HG2 LYS 3 HG3 LYS 3 -11.139 -7.784 -3.308 18 HG3 LYS 3 HG2 LYS 3 -9.538 -8.424 -2.942 19 HD2 LYS 3 HD3 LYS 3 -11.268 -7.739 -0.636 20 HD3 LYS 3 HD2 LYS 3 -11.743 -9.136 -1.600 21 HE2 LYS 3 HE3 LYS 3 -10.370 -9.977 0.124 22 HE3 LYS 3 HE2 LYS 3 -9.374 -9.973 -1.327 23 HZ1 LYS 3 HZ1 LYS 3 -8.427 -7.830 -0.530 24 HZ2 LYS 3 HZ2 LYS 3 -8.082 -9.153 0.469 25 HZ3 LYS 3 HZ3 LYS 3 -9.278 -8.036 0.920 26 H SER 4 H SER 4 -6.845 -4.702 -3.400 27 HA SER 4 HA SER 4 -5.382 -6.877 -4.561 28 HB2 SER 4 HB3 SER 4 -4.372 -4.413 -3.114 29 HB3 SER 4 HB2 SER 4 -3.406 -5.493 -4.119 30 HG SER 4 HG SER 4 -5.443 -4.796 -5.614 31 H GLU 5 H GLU 5 -5.073 -8.692 -3.481 32 HA GLU 5 HA GLU 5 -5.593 -8.937 -0.721 33 HB2 GLU 5 HB3 GLU 5 -5.762 -10.693 -2.616 34 HB3 GLU 5 HB2 GLU 5 -4.055 -10.976 -2.301 35 HG2 GLU 5 HG3 GLU 5 -5.307 -12.583 -1.082 36 HG3 GLU 5 HG2 GLU 5 -4.635 -11.430 0.072 37 H SER 6 H SER 6 -4.270 -7.755 0.576 38 HA SER 6 HA SER 6 -1.431 -7.819 0.381 39 HB2 SER 6 HB3 SER 6 -3.156 -6.959 2.717 40 HB3 SER 6 HB2 SER 6 -1.452 -6.568 2.476 41 HG SER 6 HG SER 6 -2.327 -5.696 0.340 42 HA PRO 7 HA PRO 7 -1.683 -11.278 3.634 43 HB2 PRO 7 HB3 PRO 7 -4.363 -11.897 4.406 44 HB3 PRO 7 HB2 PRO 7 -3.093 -11.197 5.411 45 HG2 PRO 7 HG3 PRO 7 -5.411 -9.891 4.627 46 HG3 PRO 7 HG2 PRO 7 -3.933 -9.097 5.195 47 HD2 PRO 7 HD3 PRO 7 -4.919 -9.501 2.405 48 HD3 PRO 7 HD2 PRO 7 -4.055 -8.118 3.110 49 H LYS 8 H LYS 8 -1.189 -12.469 1.798 50 HA LYS 8 HA LYS 8 -3.173 -13.006 -0.173 51 HB2 LYS 8 HB3 LYS 8 -0.853 -12.535 -0.784 52 HB3 LYS 8 HB2 LYS 8 -0.335 -14.009 0.022 53 HG2 LYS 8 HG3 LYS 8 -0.415 -14.481 -2.296 54 HG3 LYS 8 HG2 LYS 8 -1.811 -15.277 -1.569 55 HD2 LYS 8 HD3 LYS 8 -2.513 -14.220 -3.605 56 HD3 LYS 8 HD2 LYS 8 -3.199 -13.323 -2.248 57 HE2 LYS 8 HE3 LYS 8 -2.345 -11.782 -3.909 58 HE3 LYS 8 HE2 LYS 8 -1.374 -11.681 -2.441 59 HZ1 LYS 8 HZ1 LYS 8 0.283 -13.112 -3.500 60 HZ2 LYS 8 HZ2 LYS 8 0.024 -11.696 -4.398 61 HZ3 LYS 8 HZ3 LYS 8 -0.652 -13.162 -4.916 62 H GLU 9 H GLU 9 -4.684 -14.264 0.941 63 HA GLU 9 HA GLU 9 -4.075 -17.004 1.519 64 HB2 GLU 9 HB3 GLU 9 -6.695 -15.623 0.887 65 HB3 GLU 9 HB2 GLU 9 -6.560 -17.313 1.353 66 HG2 GLU 9 HG3 GLU 9 -5.782 -14.937 3.026 67 HG3 GLU 9 HG2 GLU 9 -7.209 -15.951 3.242 68 HA PRO 10 HA PRO 10 -3.179 -18.280 -2.573 69 HB2 PRO 10 HB3 PRO 10 -4.625 -20.770 -1.803 70 HB3 PRO 10 HB2 PRO 10 -3.016 -20.573 -2.508 71 HG2 PRO 10 HG3 PRO 10 -3.337 -21.144 0.082 72 HG3 PRO 10 HG2 PRO 10 -2.040 -20.073 -0.477 73 HD2 PRO 10 HD3 PRO 10 -4.571 -19.407 0.930 74 HD3 PRO 10 HD2 PRO 10 -3.001 -18.583 0.978 75 H GLU 11 H GLU 11 -4.258 -17.489 -4.228 76 HA GLU 11 HA GLU 11 -7.073 -17.316 -4.432 77 HB2 GLU 11 HB3 GLU 11 -5.432 -15.837 -5.609 78 HB3 GLU 11 HB2 GLU 11 -5.017 -17.190 -6.651 79 HG2 GLU 11 HG3 GLU 11 -7.329 -17.252 -7.467 80 HG3 GLU 11 HG2 GLU 11 -7.713 -15.865 -6.447 81 H GLN 12 H GLN 12 -4.671 -19.600 -5.480 82 HA GLN 12 HA GLN 12 -6.019 -21.185 -7.274 83 HB2 GLN 12 HB3 GLN 12 -3.729 -21.602 -6.883 84 HB3 GLN 12 HB2 GLN 12 -3.979 -21.824 -5.157 85 HG2 GLN 12 HG3 GLN 12 -5.154 -23.910 -5.594 86 HG3 GLN 12 HG2 GLN 12 -4.922 -23.685 -7.323 87 HE21 GLN 12 HE21 GLN 12 -3.796 -25.633 -7.443 88 HE22 GLN 12 HE22 GLN 12 -2.159 -25.776 -6.895 89 H LEU 13 H LEU 13 -5.955 -21.683 -3.715 90 HA LEU 13 HA LEU 13 -7.821 -23.864 -4.047 91 HB2 LEU 13 HB3 LEU 13 -7.003 -24.673 -2.142 92 HB3 LEU 13 HB2 LEU 13 -5.766 -23.446 -2.310 93 HG LEU 13 HG LEU 13 -8.296 -22.958 -0.746 94 HD11 LEU 13 HD11 LEU 13 -7.019 -23.507 1.265 95 HD12 LEU 13 HD12 LEU 13 -5.662 -24.022 0.263 96 HD13 LEU 13 HD13 LEU 13 -7.188 -24.906 0.204 97 HD21 LEU 13 HD21 LEU 13 -6.935 -21.239 0.337 98 HD22 LEU 13 HD22 LEU 13 -7.032 -20.980 -1.406 99 HD23 LEU 13 HD23 LEU 13 -5.571 -21.667 -0.695 100 H ARG 14 H ARG 14 -8.174 -20.580 -3.725 101 HA ARG 14 HA ARG 14 -10.750 -20.868 -2.346 102 HB2 ARG 14 HB3 ARG 14 -9.147 -18.408 -3.037 103 HB3 ARG 14 HB2 ARG 14 -10.779 -18.353 -2.384 104 HG2 ARG 14 HG3 ARG 14 -9.903 -19.702 -0.436 105 HG3 ARG 14 HG2 ARG 14 -8.285 -19.362 -1.058 106 HD2 ARG 14 HD3 ARG 14 -10.340 -17.275 -0.362 107 HD3 ARG 14 HD2 ARG 14 -9.021 -17.775 0.693 108 HE ARG 14 HE ARG 14 -7.759 -17.038 -1.589 109 HH11 ARG 14 HH11 ARG 14 -10.122 -15.468 0.454 110 HH12 ARG 14 HH12 ARG 14 -9.491 -13.873 0.189 111 HH21 ARG 14 HH21 ARG 14 -6.921 -14.929 -1.953 112 HH22 ARG 14 HH22 ARG 14 -7.678 -13.558 -1.186 113 H LYS 15 H LYS 15 -9.428 -20.738 -5.410 114 HA LYS 15 HA LYS 15 -11.796 -19.575 -6.633 115 HB2 LYS 15 HB3 LYS 15 -9.421 -19.133 -7.458 116 HB3 LYS 15 HB2 LYS 15 -9.441 -20.779 -8.078 117 HG2 LYS 15 HG3 LYS 15 -11.469 -20.179 -9.399 118 HG3 LYS 15 HG2 LYS 15 -11.244 -18.508 -8.882 119 HD2 LYS 15 HD3 LYS 15 -9.299 -20.171 -10.478 120 HD3 LYS 15 HD2 LYS 15 -10.290 -18.846 -11.086 121 HE2 LYS 15 HE3 LYS 15 -8.191 -18.580 -8.947 122 HE3 LYS 15 HE2 LYS 15 -7.925 -18.231 -10.651 123 HZ1 LYS 15 HZ1 LYS 15 -9.678 -16.525 -10.490 124 HZ2 LYS 15 HZ2 LYS 15 -8.364 -16.210 -9.473 125 HZ3 LYS 15 HZ3 LYS 15 -9.807 -16.827 -8.828 126 H LEU 16 H LEU 16 -13.342 -20.682 -7.577 127 HA LEU 16 HA LEU 16 -13.237 -23.608 -7.467 128 HB2 LEU 16 HB3 LEU 16 -15.104 -21.976 -6.514 129 HB3 LEU 16 HB2 LEU 16 -15.674 -22.032 -8.166 130 HG LEU 16 HG LEU 16 -16.067 -24.383 -8.056 131 HD11 LEU 16 HD11 LEU 16 -15.607 -25.651 -5.971 132 HD12 LEU 16 HD12 LEU 16 -14.716 -24.254 -5.369 133 HD13 LEU 16 HD13 LEU 16 -14.151 -25.106 -6.802 134 HD21 LEU 16 HD21 LEU 16 -17.011 -23.033 -5.531 135 HD22 LEU 16 HD22 LEU 16 -17.705 -24.494 -6.235 136 HD23 LEU 16 HD23 LEU 16 -17.798 -22.963 -7.107 137 H PHE 17 H PHE 17 -13.026 -24.743 -9.269 138 HA PHE 17 HA PHE 17 -13.074 -23.406 -11.853 139 HB2 PHE 17 HB3 PHE 17 -11.217 -24.918 -11.399 140 HB3 PHE 17 HB2 PHE 17 -12.335 -26.232 -11.051 141 HD1 PHE 17 HD1 PHE 17 -11.976 -27.842 -12.656 142 HD2 PHE 17 HD2 PHE 17 -12.286 -23.771 -13.851 143 HE1 PHE 17 HE1 PHE 17 -11.905 -28.529 -15.014 144 HE2 PHE 17 HE2 PHE 17 -12.215 -24.454 -16.211 145 HZ PHE 17 HZ PHE 17 -12.023 -26.836 -16.795 146 H ILE 18 H ILE 18 -14.888 -23.287 -12.961 147 HA ILE 18 HA ILE 18 -17.006 -25.265 -12.428 148 HB ILE 18 HB ILE 18 -17.434 -22.645 -13.839 149 HG12 ILE 18 HG12 ILE 18 -16.366 -22.049 -11.734 150 HG13 ILE 18 HG13 ILE 18 -18.076 -21.645 -11.669 151 HG21 ILE 18 HG21 ILE 18 -19.215 -24.293 -13.958 152 HG22 ILE 18 HG22 ILE 18 -19.715 -22.908 -12.985 153 HG23 ILE 18 HG23 ILE 18 -19.242 -24.413 -12.198 154 HD11 ILE 18 HD11 ILE 18 -16.757 -24.030 -10.400 155 HD12 ILE 18 HD12 ILE 18 -18.487 -23.684 -10.371 156 HD13 ILE 18 HD13 ILE 18 -17.354 -22.585 -9.576 157 H GLY 19 H GLY 19 -16.473 -26.865 -13.916 158 HA2 GLY 19 HA3 GLY 19 -16.213 -25.985 -16.724 159 HA3 GLY 19 HA2 GLY 19 -15.550 -27.481 -16.084 160 H GLY 20 H GLY 20 -17.451 -26.881 -18.315 161 HA2 GLY 20 HA3 GLY 20 -19.014 -28.368 -19.241 162 HA3 GLY 20 HA2 GLY 20 -19.329 -29.007 -17.633 163 H LEU 21 H LEU 21 -19.369 -25.630 -18.671 164 HA LEU 21 HA LEU 21 -22.186 -25.548 -17.848 165 HB2 LEU 21 HB3 LEU 21 -21.745 -23.055 -17.565 166 HB3 LEU 21 HB2 LEU 21 -21.052 -24.144 -16.384 167 HG LEU 21 HG LEU 21 -18.883 -23.975 -17.727 168 HD11 LEU 21 HD11 LEU 21 -18.613 -21.924 -19.036 169 HD12 LEU 21 HD12 LEU 21 -20.339 -21.610 -18.879 170 HD13 LEU 21 HD13 LEU 21 -19.782 -23.026 -19.764 171 HD21 LEU 21 HD21 LEU 21 -19.973 -21.538 -16.332 172 HD22 LEU 21 HD22 LEU 21 -18.268 -21.882 -16.629 173 HD23 LEU 21 HD23 LEU 21 -19.207 -22.926 -15.562 174 H SER 22 H SER 22 -23.294 -23.535 -18.850 175 HA SER 22 HA SER 22 -23.661 -24.157 -21.581 176 HB2 SER 22 HB3 SER 22 -25.547 -23.443 -20.332 177 HB3 SER 22 HB2 SER 22 -24.714 -22.008 -19.745 178 HG SER 22 HG SER 22 -26.020 -21.284 -21.321 179 H PHE 23 H PHE 23 -23.354 -22.812 -23.413 180 HA PHE 23 HA PHE 23 -20.889 -21.322 -23.340 181 HB2 PHE 23 HB3 PHE 23 -22.832 -21.701 -25.628 182 HB3 PHE 23 HB2 PHE 23 -21.181 -21.101 -25.753 183 HD1 PHE 23 HD1 PHE 23 -23.266 -23.953 -25.872 184 HD2 PHE 23 HD2 PHE 23 -19.316 -22.684 -24.932 185 HE1 PHE 23 HE1 PHE 23 -22.462 -26.262 -26.147 186 HE2 PHE 23 HE2 PHE 23 -18.505 -24.989 -25.209 187 HZ PHE 23 HZ PHE 23 -20.079 -26.782 -25.817 188 H GLU 24 H GLU 24 -23.905 -20.594 -22.444 189 HA GLU 24 HA GLU 24 -23.761 -17.793 -23.318 190 HB2 GLU 24 HB3 GLU 24 -26.077 -19.240 -22.020 191 HB3 GLU 24 HB2 GLU 24 -26.111 -17.654 -22.784 192 HG2 GLU 24 HG3 GLU 24 -25.638 -18.667 -24.940 193 HG3 GLU 24 HG2 GLU 24 -25.554 -20.256 -24.186 194 H THR 25 H THR 25 -22.960 -19.793 -20.818 195 HA THR 25 HA THR 25 -23.664 -18.285 -18.540 196 HB THR 25 HB THR 25 -21.327 -20.183 -18.894 197 HG1 THR 25 HG1 THR 25 -24.074 -20.531 -18.536 198 HG21 THR 25 HG21 THR 25 -21.125 -18.775 -16.893 199 HG22 THR 25 HG22 THR 25 -21.472 -20.449 -16.459 200 HG23 THR 25 HG23 THR 25 -22.753 -19.237 -16.397 201 H THR 26 H THR 26 -23.162 -16.208 -18.484 202 HA THR 26 HA THR 26 -20.482 -15.303 -19.213 203 HB THR 26 HB THR 26 -22.144 -13.974 -20.247 204 HG1 THR 26 HG1 THR 26 -21.810 -11.921 -19.249 205 HG21 THR 26 HG21 THR 26 -24.064 -14.648 -18.917 206 HG22 THR 26 HG22 THR 26 -23.978 -12.890 -19.029 207 HG23 THR 26 HG23 THR 26 -23.469 -13.705 -17.550 208 H ASP 27 H ASP 27 -19.435 -13.715 -17.837 209 HA ASP 27 HA ASP 27 -18.704 -14.686 -15.398 210 HB2 ASP 27 HB3 ASP 27 -18.792 -11.738 -16.061 211 HB3 ASP 27 HB2 ASP 27 -17.697 -12.548 -14.956 212 H GLU 28 H GLU 28 -21.107 -12.140 -15.977 213 HA GLU 28 HA GLU 28 -21.733 -11.692 -13.269 214 HB2 GLU 28 HB3 GLU 28 -23.769 -10.579 -14.143 215 HB3 GLU 28 HB2 GLU 28 -22.291 -10.054 -14.934 216 HG2 GLU 28 HG3 GLU 28 -22.787 -11.238 -16.896 217 HG3 GLU 28 HG2 GLU 28 -24.048 -12.180 -16.103 218 H SER 29 H SER 29 -23.119 -13.858 -15.678 219 HA SER 29 HA SER 29 -25.376 -14.589 -14.103 220 HB2 SER 29 HB3 SER 29 -25.210 -14.788 -16.612 221 HB3 SER 29 HB2 SER 29 -24.123 -16.155 -16.371 222 HG SER 29 HG SER 29 -26.685 -16.278 -16.531 223 H LEU 30 H LEU 30 -22.127 -15.798 -14.518 224 HA LEU 30 HA LEU 30 -22.565 -18.305 -13.243 225 HB2 LEU 30 HB3 LEU 30 -20.620 -17.491 -14.808 226 HB3 LEU 30 HB2 LEU 30 -19.885 -16.964 -13.309 227 HG LEU 30 HG LEU 30 -20.755 -19.811 -13.823 228 HD11 LEU 30 HD11 LEU 30 -18.389 -20.302 -14.180 229 HD12 LEU 30 HD12 LEU 30 -18.020 -18.580 -14.088 230 HD13 LEU 30 HD13 LEU 30 -19.018 -19.200 -15.404 231 HD21 LEU 30 HD21 LEU 30 -19.307 -20.324 -11.935 232 HD22 LEU 30 HD22 LEU 30 -20.591 -19.207 -11.470 233 HD23 LEU 30 HD23 LEU 30 -18.951 -18.608 -11.732 234 H ARG 31 H ARG 31 -21.108 -15.234 -12.148 235 HA ARG 31 HA ARG 31 -20.677 -16.083 -9.501 236 HB2 ARG 31 HB3 ARG 31 -20.158 -13.876 -8.965 237 HB3 ARG 31 HB2 ARG 31 -19.784 -13.960 -10.680 238 HG2 ARG 31 HG3 ARG 31 -21.853 -12.858 -11.231 239 HG3 ARG 31 HG2 ARG 31 -22.349 -12.894 -9.535 240 HD2 ARG 31 HD3 ARG 31 -19.856 -11.504 -10.475 241 HD3 ARG 31 HD2 ARG 31 -21.424 -10.701 -10.388 242 HE ARG 31 HE ARG 31 -21.364 -11.437 -7.948 243 HH11 ARG 31 HH11 ARG 31 -18.523 -10.622 -9.823 244 HH12 ARG 31 HH12 ARG 31 -17.591 -10.113 -8.443 245 HH21 ARG 31 HH21 ARG 31 -20.174 -10.758 -6.128 246 HH22 ARG 31 HH22 ARG 31 -18.543 -10.185 -6.331 247 H SER 32 H SER 32 -23.503 -14.770 -11.128 248 HA SER 32 HA SER 32 -24.973 -14.036 -8.849 249 HB2 SER 32 HB3 SER 32 -25.535 -13.365 -11.191 250 HB3 SER 32 HB2 SER 32 -26.074 -15.016 -11.496 251 HG SER 32 HG SER 32 -27.905 -14.500 -10.626 252 H HIS 33 H HIS 33 -24.637 -17.093 -10.555 253 HA HIS 33 HA HIS 33 -26.610 -18.383 -8.895 254 HB2 HIS 33 HB3 HIS 33 -24.809 -19.331 -11.110 255 HB3 HIS 33 HB2 HIS 33 -25.740 -20.465 -10.135 256 HD2 HIS 33 HD2 HIS 33 -26.239 -17.861 -12.964 257 HE1 HIS 33 HE1 HIS 33 -29.934 -19.777 -12.203 258 HE2 HIS 33 HE2 HIS 33 -28.702 -18.174 -13.735 259 H PHE 34 H PHE 34 -23.330 -17.618 -8.539 260 HA PHE 34 HA PHE 34 -22.963 -19.869 -6.685 261 HB2 PHE 34 HB3 PHE 34 -21.027 -18.291 -8.330 262 HB3 PHE 34 HB2 PHE 34 -20.476 -19.084 -6.857 263 HD1 PHE 34 HD1 PHE 34 -19.963 -21.353 -6.846 264 HD2 PHE 34 HD2 PHE 34 -22.158 -19.725 -10.105 265 HE1 PHE 34 HE1 PHE 34 -19.724 -23.477 -8.062 266 HE2 PHE 34 HE2 PHE 34 -21.922 -21.845 -11.330 267 HZ PHE 34 HZ PHE 34 -20.704 -23.729 -10.309 268 H GLU 35 H GLU 35 -23.424 -16.489 -6.780 269 HA GLU 35 HA GLU 35 -22.075 -15.849 -4.335 270 HB2 GLU 35 HB3 GLU 35 -23.990 -14.401 -6.106 271 HB3 GLU 35 HB2 GLU 35 -23.673 -13.782 -4.494 272 HG2 GLU 35 HG3 GLU 35 -21.238 -13.802 -5.095 273 HG3 GLU 35 HG2 GLU 35 -21.735 -14.155 -6.747 274 H GLN 36 H GLN 36 -24.273 -17.975 -4.552 275 HA GLN 36 HA GLN 36 -26.176 -16.992 -2.574 276 HB2 GLN 36 HB3 GLN 36 -26.023 -19.510 -4.217 277 HB3 GLN 36 HB2 GLN 36 -27.220 -19.274 -2.947 278 HG2 GLN 36 HG3 GLN 36 -28.160 -17.398 -4.111 279 HG3 GLN 36 HG2 GLN 36 -26.865 -17.442 -5.308 280 HE21 GLN 36 HE21 GLN 36 -26.845 -19.061 -6.847 281 HE22 GLN 36 HE22 GLN 36 -28.256 -19.989 -7.226 282 H TRP 37 H TRP 37 -23.578 -19.305 -2.955 283 HA TRP 37 HA TRP 37 -23.928 -20.172 -0.181 284 HB2 TRP 37 HB3 TRP 37 -22.267 -21.357 -2.420 285 HB3 TRP 37 HB2 TRP 37 -22.346 -21.998 -0.782 286 HD1 TRP 37 HD1 TRP 37 -24.466 -23.417 -0.125 287 HE1 TRP 37 HE1 TRP 37 -26.444 -24.380 -1.445 288 HE3 TRP 37 HE3 TRP 37 -23.817 -20.858 -4.494 289 HZ2 TRP 37 HZ2 TRP 37 -27.575 -24.096 -4.012 290 HZ3 TRP 37 HZ3 TRP 37 -25.394 -21.270 -6.333 291 HH2 TRP 37 HH2 TRP 37 -27.231 -22.854 -6.099 292 H GLY 38 H GLY 38 -22.576 -17.687 -1.538 293 HA2 GLY 38 HA3 GLY 38 -20.928 -16.942 0.496 294 HA3 GLY 38 HA2 GLY 38 -19.873 -17.839 -0.583 295 H THR 39 H THR 39 -18.776 -15.726 -0.635 296 HA THR 39 HA THR 39 -20.038 -13.881 -2.564 297 HB THR 39 HB THR 39 -18.096 -13.399 -0.309 298 HG1 THR 39 HG1 THR 39 -20.720 -12.555 -0.956 299 HG21 THR 39 HG21 THR 39 -17.165 -12.139 -2.093 300 HG22 THR 39 HG22 THR 39 -18.068 -11.008 -1.085 301 HG23 THR 39 HG23 THR 39 -18.753 -11.570 -2.610 302 H LEU 40 H LEU 40 -19.115 -13.887 -4.563 303 HA LEU 40 HA LEU 40 -16.466 -15.033 -4.857 304 HB2 LEU 40 HB3 LEU 40 -18.248 -13.836 -6.980 305 HB3 LEU 40 HB2 LEU 40 -16.739 -14.668 -7.268 306 HG LEU 40 HG LEU 40 -18.225 -16.317 -7.766 307 HD11 LEU 40 HD11 LEU 40 -16.796 -17.209 -6.056 308 HD12 LEU 40 HD12 LEU 40 -18.416 -17.907 -5.935 309 HD13 LEU 40 HD13 LEU 40 -17.912 -16.647 -4.808 310 HD21 LEU 40 HD21 LEU 40 -20.336 -16.721 -6.641 311 HD22 LEU 40 HD22 LEU 40 -20.225 -15.094 -7.311 312 HD23 LEU 40 HD23 LEU 40 -20.015 -15.351 -5.579 313 H THR 41 H THR 41 -14.752 -13.880 -4.532 314 HA THR 41 HA THR 41 -14.785 -10.991 -4.682 315 HB THR 41 HB THR 41 -12.371 -11.232 -4.011 316 HG1 THR 41 HG1 THR 41 -12.635 -13.869 -3.292 317 HG21 THR 41 HG21 THR 41 -14.137 -10.983 -2.323 318 HG22 THR 41 HG22 THR 41 -12.838 -12.027 -1.744 319 HG23 THR 41 HG23 THR 41 -14.356 -12.734 -2.299 320 H ASP 42 H ASP 42 -13.939 -13.692 -6.618 321 HA ASP 42 HA ASP 42 -13.188 -11.936 -8.817 322 HB2 ASP 42 HB3 ASP 42 -11.054 -12.503 -7.852 323 HB3 ASP 42 HB2 ASP 42 -11.471 -14.204 -7.798 324 H CYS 43 H CYS 43 -14.967 -12.504 -10.018 325 HA CYS 43 HA CYS 43 -15.147 -15.351 -10.723 326 HB2 CYS 43 HB3 CYS 43 -17.224 -14.727 -9.750 327 HB3 CYS 43 HB2 CYS 43 -17.285 -13.235 -10.653 328 HG CYS 43 HG CYS 43 -18.667 -14.140 -12.619 329 H VAL 44 H VAL 44 -15.143 -15.929 -12.870 330 HA VAL 44 HA VAL 44 -15.176 -13.956 -14.955 331 HB VAL 44 HB VAL 44 -12.912 -13.583 -14.090 332 HG11 VAL 44 HG11 VAL 44 -12.430 -16.485 -14.746 333 HG12 VAL 44 HG12 VAL 44 -12.472 -15.770 -13.135 334 HG13 VAL 44 HG13 VAL 44 -11.195 -15.322 -14.267 335 HG21 VAL 44 HG21 VAL 44 -11.698 -13.802 -16.174 336 HG22 VAL 44 HG22 VAL 44 -13.360 -13.302 -16.484 337 HG23 VAL 44 HG23 VAL 44 -12.876 -14.975 -16.762 338 H VAL 45 H VAL 45 -15.613 -14.864 -16.913 339 HA VAL 45 HA VAL 45 -15.394 -17.804 -17.088 340 HB VAL 45 HB VAL 45 -17.267 -17.861 -18.595 341 HG11 VAL 45 HG11 VAL 45 -17.907 -16.165 -16.196 342 HG12 VAL 45 HG12 VAL 45 -17.791 -17.924 -16.237 343 HG13 VAL 45 HG13 VAL 45 -19.071 -17.104 -17.132 344 HG21 VAL 45 HG21 VAL 45 -17.377 -14.857 -18.357 345 HG22 VAL 45 HG22 VAL 45 -18.563 -15.868 -19.183 346 HG23 VAL 45 HG23 VAL 45 -16.909 -15.776 -19.789 347 H MET 46 H MET 46 -14.574 -18.704 -18.914 348 HA MET 46 HA MET 46 -12.879 -16.917 -20.448 349 HB2 MET 46 HB3 MET 46 -12.985 -19.895 -20.099 350 HB3 MET 46 HB2 MET 46 -12.025 -19.164 -21.372 351 HG2 MET 46 HG3 MET 46 -10.636 -19.620 -19.482 352 HG3 MET 46 HG2 MET 46 -10.800 -17.880 -19.691 353 HE1 MET 46 HE1 MET 46 -9.607 -19.175 -17.177 354 HE2 MET 46 HE2 MET 46 -10.399 -18.290 -15.865 355 HE3 MET 46 HE3 MET 46 -9.849 -17.430 -17.305 356 H ARG 47 H ARG 47 -13.060 -16.524 -22.552 357 HA ARG 47 HA ARG 47 -15.196 -17.910 -24.010 358 HB2 ARG 47 HB3 ARG 47 -14.352 -15.017 -24.229 359 HB3 ARG 47 HB2 ARG 47 -15.407 -15.816 -25.388 360 HG2 ARG 47 HG3 ARG 47 -16.960 -14.823 -24.045 361 HG3 ARG 47 HG2 ARG 47 -16.806 -16.381 -23.232 362 HD2 ARG 47 HD3 ARG 47 -16.754 -14.688 -21.558 363 HD3 ARG 47 HD2 ARG 47 -15.118 -15.326 -21.719 364 HE ARG 47 HE ARG 47 -15.447 -13.083 -23.404 365 HH11 ARG 47 HH11 ARG 47 -15.081 -13.926 -20.017 366 HH12 ARG 47 HH12 ARG 47 -14.420 -12.381 -19.572 367 HH21 ARG 47 HH21 ARG 47 -14.564 -11.062 -22.824 368 HH22 ARG 47 HH22 ARG 47 -14.102 -10.763 -21.176 369 H ASP 48 H ASP 48 -14.827 -18.324 -26.194 370 HA ASP 48 HA ASP 48 -12.285 -19.282 -26.846 371 HB2 ASP 48 HB3 ASP 48 -14.568 -19.861 -27.888 372 HB3 ASP 48 HB2 ASP 48 -14.335 -18.428 -28.877 373 HA PRO 49 HA PRO 49 -10.157 -15.586 -28.056 374 HB2 PRO 49 HB3 PRO 49 -8.257 -16.716 -29.663 375 HB3 PRO 49 HB2 PRO 49 -8.186 -16.732 -27.898 376 HG2 PRO 49 HG3 PRO 49 -9.087 -18.875 -29.780 377 HG3 PRO 49 HG2 PRO 49 -8.104 -19.013 -28.310 378 HD2 PRO 49 HD3 PRO 49 -10.737 -19.625 -28.360 379 HD3 PRO 49 HD2 PRO 49 -9.947 -18.939 -26.923 380 H ASN 50 H ASN 50 -11.704 -17.722 -30.265 381 HA ASN 50 HA ASN 50 -11.290 -15.858 -32.512 382 HB2 ASN 50 HB3 ASN 50 -12.517 -18.598 -32.752 383 HB3 ASN 50 HB2 ASN 50 -11.721 -17.639 -33.995 384 HD21 ASN 50 HD21 ASN 50 -11.282 -19.636 -31.183 385 HD22 ASN 50 HD22 ASN 50 -9.602 -20.023 -31.476 386 H THR 51 H THR 51 -13.781 -17.872 -30.986 387 HA THR 51 HA THR 51 -15.881 -16.523 -32.435 388 HB THR 51 HB THR 51 -17.380 -18.115 -31.480 389 HG1 THR 51 HG1 THR 51 -15.592 -19.443 -29.888 390 HG21 THR 51 HG21 THR 51 -16.300 -20.229 -32.047 391 HG22 THR 51 HG22 THR 51 -14.716 -19.458 -31.944 392 HG23 THR 51 HG23 THR 51 -15.851 -18.977 -33.207 393 H LYS 52 H LYS 52 -14.424 -16.395 -29.317 394 HA LYS 52 HA LYS 52 -14.624 -15.007 -27.552 395 HB2 LYS 52 HB3 LYS 52 -16.368 -13.372 -29.401 396 HB3 LYS 52 HB2 LYS 52 -15.782 -12.833 -27.834 397 HG2 LYS 52 HG3 LYS 52 -14.110 -13.491 -30.251 398 HG3 LYS 52 HG2 LYS 52 -14.424 -11.891 -29.583 399 HD2 LYS 52 HD3 LYS 52 -12.976 -14.116 -28.145 400 HD3 LYS 52 HD2 LYS 52 -12.193 -12.776 -28.980 401 HE2 LYS 52 HE3 LYS 52 -14.114 -12.479 -26.674 402 HE3 LYS 52 HE2 LYS 52 -12.359 -12.461 -26.524 403 HZ1 LYS 52 HZ1 LYS 52 -13.125 -10.227 -26.591 404 HZ2 LYS 52 HZ2 LYS 52 -14.053 -10.503 -27.980 405 HZ3 LYS 52 HZ3 LYS 52 -12.359 -10.531 -28.071 406 H ARG 53 H ARG 53 -16.662 -17.168 -28.199 407 HA ARG 53 HA ARG 53 -18.784 -16.237 -26.391 408 HB2 ARG 53 HB3 ARG 53 -20.217 -17.558 -27.514 409 HB3 ARG 53 HB2 ARG 53 -18.954 -17.736 -28.720 410 HG2 ARG 53 HG3 ARG 53 -19.166 -19.587 -26.366 411 HG3 ARG 53 HG2 ARG 53 -20.081 -19.849 -27.851 412 HD2 ARG 53 HD3 ARG 53 -18.166 -20.240 -29.108 413 HD3 ARG 53 HD2 ARG 53 -17.116 -19.435 -27.941 414 HE ARG 53 HE ARG 53 -17.875 -21.443 -26.457 415 HH11 ARG 53 HH11 ARG 53 -17.207 -21.563 -29.897 416 HH12 ARG 53 HH12 ARG 53 -16.568 -23.176 -29.840 417 HH21 ARG 53 HH21 ARG 53 -17.062 -23.570 -26.389 418 HH22 ARG 53 HH22 ARG 53 -16.513 -24.336 -27.853 419 H SER 54 H SER 54 -19.399 -17.714 -24.598 420 HA SER 54 HA SER 54 -17.275 -18.337 -22.954 421 HB2 SER 54 HB3 SER 54 -20.010 -19.634 -22.918 422 HB3 SER 54 HB2 SER 54 -18.881 -19.537 -21.565 423 HG SER 54 HG SER 54 -19.987 -17.774 -21.163 424 H ARG 55 H ARG 55 -15.895 -19.957 -22.773 425 HA ARG 55 HA ARG 55 -15.580 -21.796 -24.876 426 HB2 ARG 55 HB3 ARG 55 -14.334 -21.739 -22.130 427 HB3 ARG 55 HB2 ARG 55 -13.814 -22.801 -23.423 428 HG2 ARG 55 HG3 ARG 55 -13.729 -20.361 -24.637 429 HG3 ARG 55 HG2 ARG 55 -13.284 -19.962 -22.978 430 HD2 ARG 55 HD3 ARG 55 -11.251 -20.424 -24.046 431 HD3 ARG 55 HD2 ARG 55 -11.624 -21.892 -23.141 432 HE ARG 55 HE ARG 55 -12.671 -22.512 -25.496 433 HH11 ARG 55 HH11 ARG 55 -9.565 -21.083 -24.702 434 HH12 ARG 55 HH12 ARG 55 -8.789 -21.641 -26.162 435 HH21 ARG 55 HH21 ARG 55 -11.660 -23.236 -27.418 436 HH22 ARG 55 HH22 ARG 55 -9.989 -22.856 -27.714 437 H GLY 56 H GLY 56 -17.000 -22.112 -21.695 438 HA2 GLY 56 HA3 GLY 56 -18.694 -23.996 -21.597 439 HA3 GLY 56 HA2 GLY 56 -17.360 -25.009 -22.146 440 H PHE 57 H PHE 57 -16.187 -22.577 -20.207 441 HA PHE 57 HA PHE 57 -16.775 -23.748 -17.650 442 HB2 PHE 57 HB3 PHE 57 -14.357 -24.087 -17.058 443 HB3 PHE 57 HB2 PHE 57 -14.994 -25.244 -18.216 444 HD1 PHE 57 HD1 PHE 57 -12.914 -22.192 -17.898 445 HD2 PHE 57 HD2 PHE 57 -14.019 -25.525 -20.292 446 HE1 PHE 57 HE1 PHE 57 -11.075 -21.672 -19.450 447 HE2 PHE 57 HE2 PHE 57 -12.189 -25.007 -21.863 448 HZ PHE 57 HZ PHE 57 -10.714 -23.079 -21.440 449 H GLY 58 H GLY 58 -15.802 -22.541 -15.878 450 HA2 GLY 58 HA3 GLY 58 -14.627 -19.956 -16.458 451 HA3 GLY 58 HA2 GLY 58 -16.260 -19.893 -15.806 452 H PHE 59 H PHE 59 -14.671 -18.669 -14.205 453 HA PHE 59 HA PHE 59 -14.080 -20.599 -12.067 454 HB2 PHE 59 HB3 PHE 59 -12.284 -18.363 -13.005 455 HB3 PHE 59 HB2 PHE 59 -12.077 -19.199 -11.472 456 HD1 PHE 59 HD1 PHE 59 -11.247 -21.457 -11.393 457 HD2 PHE 59 HD2 PHE 59 -11.797 -19.457 -15.102 458 HE1 PHE 59 HE1 PHE 59 -9.870 -23.160 -12.511 459 HE2 PHE 59 HE2 PHE 59 -10.426 -21.155 -16.232 460 HZ PHE 59 HZ PHE 59 -9.457 -23.010 -14.933 461 H VAL 60 H VAL 60 -14.167 -19.779 -9.968 462 HA VAL 60 HA VAL 60 -15.120 -17.075 -9.532 463 HB VAL 60 HB VAL 60 -16.902 -18.207 -7.910 464 HG11 VAL 60 HG11 VAL 60 -17.440 -16.494 -9.496 465 HG12 VAL 60 HG12 VAL 60 -18.611 -17.804 -9.635 466 HG13 VAL 60 HG13 VAL 60 -17.323 -17.640 -10.830 467 HG21 VAL 60 HG21 VAL 60 -18.054 -20.031 -9.047 468 HG22 VAL 60 HG22 VAL 60 -16.418 -20.480 -8.571 469 HG23 VAL 60 HG23 VAL 60 -16.770 -20.076 -10.250 470 H THR 61 H THR 61 -13.789 -16.357 -8.074 471 HA THR 61 HA THR 61 -12.669 -18.158 -6.067 472 HB THR 61 HB THR 61 -12.019 -15.231 -6.410 473 HG1 THR 61 HG1 THR 61 -11.442 -15.855 -8.382 474 HG21 THR 61 HG21 THR 61 -9.844 -15.912 -5.506 475 HG22 THR 61 HG22 THR 61 -10.405 -17.581 -5.405 476 HG23 THR 61 HG23 THR 61 -11.155 -16.335 -4.404 477 H TYR 62 H TYR 62 -13.697 -18.327 -4.168 478 HA TYR 62 HA TYR 62 -15.705 -16.399 -3.425 479 HB2 TYR 62 HB3 TYR 62 -14.714 -18.976 -2.240 480 HB3 TYR 62 HB2 TYR 62 -15.753 -17.910 -1.302 481 HD1 TYR 62 HD1 TYR 62 -18.074 -17.673 -1.814 482 HD2 TYR 62 HD2 TYR 62 -15.583 -20.073 -4.291 483 HE1 TYR 62 HE1 TYR 62 -20.068 -18.635 -2.874 484 HE2 TYR 62 HE2 TYR 62 -17.577 -21.044 -5.358 485 HH TYR 62 HH TYR 62 -20.725 -19.735 -4.882 486 H ALA 63 H ALA 63 -15.675 -15.859 -0.897 487 HA ALA 63 HA ALA 63 -13.382 -14.149 -0.554 488 HB1 ALA 63 HB1 ALA 63 -15.656 -13.427 0.078 489 HB2 ALA 63 HB2 ALA 63 -14.526 -13.347 1.434 490 HB3 ALA 63 HB3 ALA 63 -15.683 -14.674 1.331 491 H THR 64 H THR 64 -14.641 -17.100 0.839 492 HA THR 64 HA THR 64 -11.995 -17.678 1.905 493 HB THR 64 HB THR 64 -13.022 -16.775 3.863 494 HG1 THR 64 HG1 THR 64 -12.764 -18.495 5.190 495 HG21 THR 64 HG21 THR 64 -15.362 -18.617 3.375 496 HG22 THR 64 HG22 THR 64 -15.361 -16.872 3.108 497 HG23 THR 64 HG23 THR 64 -15.164 -17.517 4.739 498 H VAL 65 H VAL 65 -11.691 -19.949 2.366 499 HA VAL 65 HA VAL 65 -12.698 -21.619 0.355 500 HB VAL 65 HB VAL 65 -11.627 -23.479 1.582 501 HG11 VAL 65 HG11 VAL 65 -10.310 -22.097 0.082 502 HG12 VAL 65 HG12 VAL 65 -9.338 -22.598 1.465 503 HG13 VAL 65 HG13 VAL 65 -9.983 -20.958 1.388 504 HG21 VAL 65 HG21 VAL 65 -10.394 -23.019 3.649 505 HG22 VAL 65 HG22 VAL 65 -12.127 -22.776 3.865 506 HG23 VAL 65 HG23 VAL 65 -11.058 -21.385 3.681 507 H GLU 66 H GLU 66 -13.955 -20.888 3.500 508 HA GLU 66 HA GLU 66 -15.519 -23.174 3.943 509 HB2 GLU 66 HB3 GLU 66 -15.983 -20.314 4.787 510 HB3 GLU 66 HB2 GLU 66 -16.878 -21.695 5.409 511 HG2 GLU 66 HG3 GLU 66 -13.919 -21.228 5.678 512 HG3 GLU 66 HG2 GLU 66 -15.128 -21.038 6.946 513 H GLU 67 H GLU 67 -16.052 -20.341 1.983 514 HA GLU 67 HA GLU 67 -18.813 -20.905 1.471 515 HB2 GLU 67 HB3 GLU 67 -16.988 -19.169 -0.182 516 HB3 GLU 67 HB2 GLU 67 -18.735 -19.058 -0.021 517 HG2 GLU 67 HG3 GLU 67 -18.392 -18.478 2.383 518 HG3 GLU 67 HG2 GLU 67 -16.666 -18.393 2.047 519 H VAL 68 H VAL 68 -15.741 -21.471 -0.125 520 HA VAL 68 HA VAL 68 -16.611 -22.551 -2.537 521 HB VAL 68 HB VAL 68 -14.177 -23.131 -0.855 522 HG11 VAL 68 HG11 VAL 68 -13.252 -24.314 -2.841 523 HG12 VAL 68 HG12 VAL 68 -14.869 -24.298 -3.544 524 HG13 VAL 68 HG13 VAL 68 -14.570 -25.174 -2.046 525 HG21 VAL 68 HG21 VAL 68 -14.315 -20.942 -1.934 526 HG22 VAL 68 HG22 VAL 68 -14.546 -21.729 -3.497 527 HG23 VAL 68 HG23 VAL 68 -13.023 -21.921 -2.629 528 H ASP 69 H ASP 69 -16.016 -24.162 0.568 529 HA ASP 69 HA ASP 69 -16.639 -26.763 -0.255 530 HB2 ASP 69 HB3 ASP 69 -15.507 -26.358 1.847 531 HB3 ASP 69 HB2 ASP 69 -16.903 -25.487 2.473 532 H ALA 70 H ALA 70 -18.718 -24.186 1.001 533 HA ALA 70 HA ALA 70 -21.062 -25.735 1.238 534 HB1 ALA 70 HB1 ALA 70 -20.797 -22.773 0.720 535 HB2 ALA 70 HB2 ALA 70 -20.829 -23.553 2.302 536 HB3 ALA 70 HB3 ALA 70 -22.256 -23.600 1.267 537 H ALA 71 H ALA 71 -19.765 -23.784 -1.417 538 HA ALA 71 HA ALA 71 -21.882 -24.179 -3.232 539 HB1 ALA 71 HB1 ALA 71 -20.148 -22.475 -3.532 540 HB2 ALA 71 HB2 ALA 71 -20.302 -23.510 -4.952 541 HB3 ALA 71 HB3 ALA 71 -18.960 -23.745 -3.831 542 H MET 72 H MET 72 -19.041 -26.085 -2.446 543 HA MET 72 HA MET 72 -19.303 -27.953 -4.554 544 HB2 MET 72 HB3 MET 72 -18.005 -28.245 -1.841 545 HB3 MET 72 HB2 MET 72 -17.879 -29.428 -3.133 546 HG2 MET 72 HG3 MET 72 -16.863 -27.602 -4.545 547 HG3 MET 72 HG2 MET 72 -16.794 -26.632 -3.077 548 HE1 MET 72 HE1 MET 72 -14.381 -27.769 -5.122 549 HE2 MET 72 HE2 MET 72 -13.103 -27.939 -3.918 550 HE3 MET 72 HE3 MET 72 -14.151 -26.519 -3.900 551 H ASN 73 H ASN 73 -20.408 -27.989 -1.171 552 HA ASN 73 HA ASN 73 -21.668 -30.493 -1.211 553 HB2 ASN 73 HB3 ASN 73 -22.204 -27.994 0.385 554 HB3 ASN 73 HB2 ASN 73 -23.202 -29.430 0.575 555 HD21 ASN 73 HD21 ASN 73 -20.129 -27.976 1.167 556 HD22 ASN 73 HD22 ASN 73 -19.515 -29.206 2.212 557 H ALA 74 H ALA 74 -22.538 -27.526 -2.669 558 HA ALA 74 HA ALA 74 -25.359 -28.052 -2.813 559 HB1 ALA 74 HB1 ALA 74 -23.713 -25.940 -4.195 560 HB2 ALA 74 HB2 ALA 74 -24.485 -25.769 -2.616 561 HB3 ALA 74 HB3 ALA 74 -25.472 -25.978 -4.067 562 H ARG 75 H ARG 75 -22.837 -29.427 -4.429 563 HA ARG 75 HA ARG 75 -23.883 -29.418 -7.090 564 HB2 ARG 75 HB3 ARG 75 -22.243 -31.123 -7.592 565 HB3 ARG 75 HB2 ARG 75 -21.492 -29.870 -6.617 566 HG2 ARG 75 HG3 ARG 75 -21.709 -31.302 -4.635 567 HG3 ARG 75 HG2 ARG 75 -22.425 -32.562 -5.644 568 HD2 ARG 75 HD3 ARG 75 -20.403 -32.777 -6.916 569 HD3 ARG 75 HD2 ARG 75 -19.691 -31.382 -6.107 570 HE ARG 75 HE ARG 75 -20.055 -32.919 -4.015 571 HH11 ARG 75 HH11 ARG 75 -18.955 -33.865 -7.216 572 HH12 ARG 75 HH12 ARG 75 -17.985 -35.182 -6.625 573 HH21 ARG 75 HH21 ARG 75 -18.786 -34.660 -3.242 574 HH22 ARG 75 HH22 ARG 75 -17.890 -35.639 -4.374 575 HA PRO 76 HA PRO 76 -23.934 -31.047 -8.904 576 HB2 PRO 76 HB3 PRO 76 -26.204 -31.155 -10.407 577 HB3 PRO 76 HB2 PRO 76 -25.206 -32.570 -10.053 578 HG2 PRO 76 HG3 PRO 76 -27.727 -31.652 -8.725 579 HG3 PRO 76 HG2 PRO 76 -27.254 -33.289 -9.216 580 HD2 PRO 76 HD3 PRO 76 -27.059 -32.454 -6.664 581 HD3 PRO 76 HD2 PRO 76 -25.888 -33.584 -7.375 582 H HIS 77 H HIS 77 -23.574 -28.997 -9.396 583 HA HIS 77 HA HIS 77 -25.282 -26.945 -8.311 584 HB2 HIS 77 HB3 HIS 77 -22.662 -26.998 -8.469 585 HB3 HIS 77 HB2 HIS 77 -22.936 -26.382 -10.098 586 HD2 HIS 77 HD2 HIS 77 -22.560 -25.110 -6.577 587 HE1 HIS 77 HE1 HIS 77 -24.475 -22.039 -8.788 588 HE2 HIS 77 HE2 HIS 77 -23.471 -22.675 -6.543 589 H LYS 78 H LYS 78 -25.867 -25.051 -9.724 590 HA LYS 78 HA LYS 78 -26.582 -25.832 -12.442 591 HB2 LYS 78 HB3 LYS 78 -28.479 -26.557 -11.082 592 HB3 LYS 78 HB2 LYS 78 -28.580 -24.968 -10.339 593 HG2 LYS 78 HG3 LYS 78 -30.285 -24.992 -11.928 594 HG3 LYS 78 HG2 LYS 78 -28.985 -24.073 -12.687 595 HD2 LYS 78 HD3 LYS 78 -29.902 -25.586 -14.307 596 HD3 LYS 78 HD2 LYS 78 -28.288 -26.148 -13.865 597 HE2 LYS 78 HE3 LYS 78 -29.904 -27.987 -14.001 598 HE3 LYS 78 HE2 LYS 78 -29.242 -27.806 -12.376 599 HZ1 LYS 78 HZ1 LYS 78 -31.284 -26.546 -11.796 600 HZ2 LYS 78 HZ2 LYS 78 -31.585 -28.160 -12.216 601 HZ3 LYS 78 HZ3 LYS 78 -31.913 -26.924 -13.327 602 H VAL 79 H VAL 79 -25.743 -24.214 -13.593 603 HA VAL 79 HA VAL 79 -26.527 -21.493 -12.858 604 HB VAL 79 HB VAL 79 -24.326 -21.436 -12.066 605 HG11 VAL 79 HG11 VAL 79 -22.385 -22.299 -13.333 606 HG12 VAL 79 HG12 VAL 79 -23.507 -22.991 -14.506 607 HG13 VAL 79 HG13 VAL 79 -23.525 -23.548 -12.830 608 HG21 VAL 79 HG21 VAL 79 -24.782 -19.562 -13.552 609 HG22 VAL 79 HG22 VAL 79 -24.154 -20.480 -14.921 610 HG23 VAL 79 HG23 VAL 79 -23.076 -20.010 -13.606 611 H ASP 80 H ASP 80 -27.328 -20.368 -14.477 612 HA ASP 80 HA ASP 80 -28.143 -19.805 -16.516 613 HB2 ASP 80 HB3 ASP 80 -25.631 -19.789 -17.068 614 HB3 ASP 80 HB2 ASP 80 -25.898 -21.366 -17.801 615 H GLY 81 H GLY 81 -28.696 -22.446 -15.167 616 HA2 GLY 81 HA3 GLY 81 -30.260 -24.099 -15.578 617 HA3 GLY 81 HA2 GLY 81 -30.367 -23.548 -17.238 618 H ARG 82 H ARG 82 -27.207 -24.168 -16.122 619 HA ARG 82 HA ARG 82 -27.254 -26.834 -17.366 620 HB2 ARG 82 HB3 ARG 82 -26.071 -25.200 -18.767 621 HB3 ARG 82 HB2 ARG 82 -25.033 -24.773 -17.415 622 HG2 ARG 82 HG3 ARG 82 -23.987 -26.275 -19.101 623 HG3 ARG 82 HG2 ARG 82 -23.978 -26.905 -17.453 624 HD2 ARG 82 HD3 ARG 82 -25.585 -28.503 -17.917 625 HD3 ARG 82 HD2 ARG 82 -26.204 -27.623 -19.311 626 HE ARG 82 HE ARG 82 -24.525 -28.532 -20.629 627 HH11 ARG 82 HH11 ARG 82 -24.023 -29.447 -17.277 628 HH12 ARG 82 HH12 ARG 82 -22.984 -30.780 -17.666 629 HH21 ARG 82 HH21 ARG 82 -23.180 -30.312 -21.136 630 HH22 ARG 82 HH22 ARG 82 -22.521 -31.277 -19.848 631 H VAL 83 H VAL 83 -26.861 -28.393 -15.968 632 HA VAL 83 HA VAL 83 -25.849 -28.033 -13.358 633 HB VAL 83 HB VAL 83 -25.929 -30.551 -15.039 634 HG11 VAL 83 HG11 VAL 83 -25.785 -31.754 -12.907 635 HG12 VAL 83 HG12 VAL 83 -25.571 -30.220 -12.063 636 HG13 VAL 83 HG13 VAL 83 -24.350 -30.776 -13.207 637 HG21 VAL 83 HG21 VAL 83 -27.968 -31.060 -13.770 638 HG22 VAL 83 HG22 VAL 83 -28.133 -29.585 -14.724 639 HG23 VAL 83 HG23 VAL 83 -27.861 -29.485 -12.984 640 H VAL 84 H VAL 84 -23.823 -27.662 -12.722 641 HA VAL 84 HA VAL 84 -21.651 -28.332 -14.598 642 HB VAL 84 HB VAL 84 -20.371 -26.468 -13.647 643 HG11 VAL 84 HG11 VAL 84 -21.679 -24.647 -14.647 644 HG12 VAL 84 HG12 VAL 84 -23.096 -25.696 -14.679 645 HG13 VAL 84 HG13 VAL 84 -21.681 -26.095 -15.653 646 HG21 VAL 84 HG21 VAL 84 -22.899 -25.830 -12.126 647 HG22 VAL 84 HG22 VAL 84 -21.452 -24.824 -12.196 648 HG23 VAL 84 HG23 VAL 84 -21.388 -26.409 -11.423 649 H GLU 85 H GLU 85 -19.474 -28.378 -13.401 650 HA GLU 85 HA GLU 85 -19.767 -29.736 -10.813 651 HB2 GLU 85 HB3 GLU 85 -19.217 -31.403 -12.501 652 HB3 GLU 85 HB2 GLU 85 -17.856 -30.436 -13.051 653 HG2 GLU 85 HG3 GLU 85 -16.653 -30.820 -11.052 654 HG3 GLU 85 HG2 GLU 85 -18.066 -31.508 -10.254 655 HA PRO 86 HA PRO 86 -16.936 -26.366 -9.997 656 HB2 PRO 86 HB3 PRO 86 -17.819 -25.988 -7.433 657 HB3 PRO 86 HB2 PRO 86 -18.586 -25.294 -8.861 658 HG2 PRO 86 HG3 PRO 86 -19.572 -27.365 -7.092 659 HG3 PRO 86 HG2 PRO 86 -20.421 -26.520 -8.394 660 HD2 PRO 86 HD3 PRO 86 -19.187 -29.167 -8.400 661 HD3 PRO 86 HD2 PRO 86 -20.307 -28.448 -9.574 662 H LYS 87 H LYS 87 -14.928 -27.172 -9.823 663 HA LYS 87 HA LYS 87 -14.294 -28.804 -7.447 664 HB2 LYS 87 HB3 LYS 87 -12.898 -28.788 -10.130 665 HB3 LYS 87 HB2 LYS 87 -12.450 -29.775 -8.748 666 HG2 LYS 87 HG3 LYS 87 -14.631 -30.904 -8.874 667 HG3 LYS 87 HG2 LYS 87 -15.018 -29.950 -10.307 668 HD2 LYS 87 HD3 LYS 87 -12.733 -31.902 -10.019 669 HD3 LYS 87 HD2 LYS 87 -14.216 -32.159 -10.939 670 HE2 LYS 87 HE3 LYS 87 -13.629 -30.297 -12.410 671 HE3 LYS 87 HE2 LYS 87 -12.157 -30.019 -11.479 672 HZ1 LYS 87 HZ1 LYS 87 -11.624 -31.268 -13.428 673 HZ2 LYS 87 HZ2 LYS 87 -12.815 -32.427 -13.090 674 HZ3 LYS 87 HZ3 LYS 87 -11.455 -32.291 -12.086 675 H ARG 88 H ARG 88 -12.105 -28.533 -6.600 676 HA ARG 88 HA ARG 88 -11.372 -25.856 -6.152 677 HB2 ARG 88 HB3 ARG 88 -10.720 -28.282 -5.043 678 HB3 ARG 88 HB2 ARG 88 -9.225 -27.851 -5.857 679 HG2 ARG 88 HG3 ARG 88 -9.096 -27.068 -3.615 680 HG3 ARG 88 HG2 ARG 88 -9.290 -25.662 -4.668 681 HD2 ARG 88 HD3 ARG 88 -11.619 -25.507 -4.131 682 HD3 ARG 88 HD2 ARG 88 -11.565 -27.026 -3.240 683 HE ARG 88 HE ARG 88 -10.311 -24.495 -2.389 684 HH11 ARG 88 HH11 ARG 88 -11.558 -27.693 -1.671 685 HH12 ARG 88 HH12 ARG 88 -11.516 -27.458 0.055 686 HH21 ARG 88 HH21 ARG 88 -10.266 -24.187 -0.131 687 HH22 ARG 88 HH22 ARG 88 -10.798 -25.458 0.932 688 H ALA 89 H ALA 89 -10.075 -24.491 -7.248 689 HA ALA 89 HA ALA 89 -9.211 -25.216 -9.866 690 HB1 ALA 89 HB1 ALA 89 -8.429 -22.924 -10.039 691 HB2 ALA 89 HB2 ALA 89 -8.649 -22.702 -8.303 692 HB3 ALA 89 HB3 ALA 89 -10.048 -22.976 -9.342 693 H VAL 90 H VAL 90 -7.234 -25.635 -10.627 694 HA VAL 90 HA VAL 90 -5.056 -26.030 -8.719 695 HB VAL 90 HB VAL 90 -5.701 -27.870 -10.290 696 HG11 VAL 90 HG11 VAL 90 -6.321 -26.551 -12.217 697 HG12 VAL 90 HG12 VAL 90 -5.059 -27.706 -12.648 698 HG13 VAL 90 HG13 VAL 90 -4.654 -26.006 -12.409 699 HG21 VAL 90 HG21 VAL 90 -3.463 -27.834 -9.343 700 HG22 VAL 90 HG22 VAL 90 -2.904 -26.817 -10.673 701 HG23 VAL 90 HG23 VAL 90 -3.439 -28.467 -10.989 702 H SER 91 H SER 91 -2.810 -25.348 -9.573 703 HA SER 91 HA SER 91 -2.704 -22.625 -10.121 704 HB2 SER 91 HB3 SER 91 -0.584 -24.675 -10.807 705 HB3 SER 91 HB2 SER 91 -0.336 -22.959 -10.481 706 HG SER 91 HG SER 91 0.047 -24.556 -8.709 707 H ARG 92 H ARG 92 -2.364 -21.427 -12.026 708 HA ARG 92 HA ARG 92 -3.843 -22.331 -14.219 709 HB2 ARG 92 HB3 ARG 92 -2.906 -20.322 -15.432 710 HB3 ARG 92 HB2 ARG 92 -3.743 -19.996 -13.924 711 HG2 ARG 92 HG3 ARG 92 -1.706 -19.581 -12.784 712 HG3 ARG 92 HG2 ARG 92 -0.750 -20.206 -14.127 713 HD2 ARG 92 HD3 ARG 92 -2.550 -17.803 -14.355 714 HD3 ARG 92 HD2 ARG 92 -0.843 -17.693 -13.919 715 HE ARG 92 HE ARG 92 -1.456 -19.112 -16.390 716 HH11 ARG 92 HH11 ARG 92 -0.479 -16.082 -14.889 717 HH12 ARG 92 HH12 ARG 92 0.222 -15.447 -16.354 718 HH21 ARG 92 HH21 ARG 92 -0.528 -18.269 -18.299 719 HH22 ARG 92 HH22 ARG 92 0.171 -16.678 -18.291 720 H GLU 93 H GLU 93 -0.300 -21.919 -14.008 721 HA GLU 93 HA GLU 93 0.157 -22.679 -16.698 722 HB2 GLU 93 HB3 GLU 93 1.978 -22.574 -14.299 723 HB3 GLU 93 HB2 GLU 93 2.536 -22.910 -15.929 724 HG2 GLU 93 HG3 GLU 93 1.799 -20.731 -16.668 725 HG3 GLU 93 HG2 GLU 93 1.106 -20.400 -15.080 726 H ASP 94 H ASP 94 0.049 -24.420 -13.689 727 HA ASP 94 HA ASP 94 1.263 -26.817 -14.511 728 HB2 ASP 94 HB3 ASP 94 -0.684 -26.124 -12.336 729 HB3 ASP 94 HB2 ASP 94 -0.136 -27.782 -12.571 730 H SER 95 H SER 95 -1.857 -25.522 -15.161 731 HA SER 95 HA SER 95 -2.711 -28.131 -16.217 732 HB2 SER 95 HB3 SER 95 -4.203 -27.180 -14.499 733 HB3 SER 95 HB2 SER 95 -4.421 -25.743 -15.496 734 HG SER 95 HG SER 95 -5.349 -27.085 -17.097 735 H GLN 96 H GLN 96 -1.996 -24.830 -17.009 736 HA GLN 96 HA GLN 96 -3.183 -24.766 -19.575 737 HB2 GLN 96 HB3 GLN 96 -0.910 -23.233 -18.336 738 HB3 GLN 96 HB2 GLN 96 -1.415 -22.968 -19.999 739 HG2 GLN 96 HG3 GLN 96 -3.682 -22.427 -19.175 740 HG3 GLN 96 HG2 GLN 96 -3.075 -22.574 -17.524 741 HE21 GLN 96 HE21 GLN 96 -2.891 -20.773 -20.488 742 HE22 GLN 96 HE22 GLN 96 -2.192 -19.335 -19.818 743 H ARG 97 H ARG 97 0.089 -25.541 -18.471 744 HA ARG 97 HA ARG 97 0.406 -27.272 -20.790 745 HB2 ARG 97 HB3 ARG 97 1.299 -24.985 -21.390 746 HB3 ARG 97 HB2 ARG 97 2.499 -25.197 -20.123 747 HG2 ARG 97 HG3 ARG 97 3.376 -27.162 -21.271 748 HG3 ARG 97 HG2 ARG 97 2.163 -26.963 -22.539 749 HD2 ARG 97 HD3 ARG 97 3.103 -24.693 -22.972 750 HD3 ARG 97 HD2 ARG 97 4.395 -25.068 -21.833 751 HE ARG 97 HE ARG 97 4.044 -26.952 -24.014 752 HH11 ARG 97 HH11 ARG 97 5.788 -24.208 -22.721 753 HH12 ARG 97 HH12 ARG 97 7.101 -24.341 -23.856 754 HH21 ARG 97 HH21 ARG 97 5.756 -27.121 -25.528 755 HH22 ARG 97 HH22 ARG 97 7.071 -25.981 -25.466 756 H5' U 1 H5' U 1 -16.717 -30.755 -20.139 757 H5'' U 1 H5'' U 1 -17.075 -29.026 -20.029 758 H4' U 1 H4' U 1 -15.904 -30.469 -22.154 759 H3' U 1 H3' U 1 -15.582 -27.968 -21.318 760 H2' U 1 H2' U 1 -17.601 -26.919 -21.953 761 HO2' U 1 HO2' U 1 -17.114 -25.781 -23.687 762 H1' U 1 H1' U 1 -18.089 -28.463 -24.464 763 H3 U 1 H3 U 1 -22.522 -28.354 -24.170 764 H5 U 1 H5 U 1 -21.302 -27.269 -20.304 765 H6 U 1 H6 U 1 -19.032 -27.688 -20.982 766 HO5' U 1 HO5' U 1 -18.859 -30.450 -21.566 767 H5' U 2 H5' U 2 -14.690 -28.649 -20.350 768 H5'' U 2 H5'' U 2 -14.710 -26.883 -20.507 769 H4' U 2 H4' U 2 -12.875 -26.628 -19.064 770 H3' U 2 H3' U 2 -11.851 -29.044 -19.850 771 H2' U 2 H2' U 2 -13.160 -30.482 -18.480 772 HO2' U 2 HO2' U 2 -10.957 -29.490 -17.122 773 H1' U 2 H1' U 2 -13.304 -28.346 -16.290 774 H3 U 2 H3 U 2 -16.069 -31.006 -13.973 775 H5 U 2 H5 U 2 -17.652 -31.122 -17.859 776 H6 U 2 H6 U 2 -15.759 -29.830 -18.588 777 H5' A 3 H5' A 3 -10.488 -25.773 -17.434 778 H5'' A 3 H5'' A 3 -11.368 -24.601 -18.432 779 H4' A 3 H4' A 3 -9.723 -23.105 -18.360 780 H3' A 3 H3' A 3 -8.187 -24.751 -19.740 781 H2' A 3 H2' A 3 -7.459 -26.266 -18.052 782 HO2' A 3 HO2' A 3 -5.771 -23.999 -18.019 783 H1' A 3 H1' A 3 -7.125 -24.183 -15.900 784 H8 A 3 H8 A 3 -8.004 -27.655 -16.977 785 H61 A 3 H61 A 3 -9.112 -29.544 -12.646 786 H62 A 3 H62 A 3 -9.333 -28.851 -11.054 787 H2 A 3 H2 A 3 -8.719 -24.426 -11.480 788 H5' G 4 H5' G 4 -8.782 -21.448 -19.055 789 H5'' G 4 H5'' G 4 -9.240 -20.159 -20.183 790 H4' G 4 H4' G 4 -7.826 -18.680 -19.304 791 H3' G 4 H3' G 4 -5.777 -20.687 -19.504 792 H2' G 4 H2' G 4 -5.589 -21.029 -17.168 793 HO2' G 4 HO2' G 4 -4.276 -18.772 -17.916 794 H1' G 4 H1' G 4 -6.917 -18.272 -16.802 795 H8 G 4 H8 G 4 -8.119 -18.019 -14.530 796 H1 G 4 H1 G 4 -6.146 -23.837 -12.707 797 H21 G 4 H21 G 4 -5.031 -24.148 -15.969 798 H22 G 4 H22 G 4 -5.184 -24.873 -14.385 799 H5' G 5 H5' G 5 -6.402 -16.311 -18.961 800 H5'' G 5 H5'' G 5 -7.789 -17.369 -18.636 801 H4' G 5 H4' G 5 -8.596 -15.397 -20.507 802 H3' G 5 H3' G 5 -6.781 -14.249 -18.488 803 H2' G 5 H2' G 5 -8.372 -12.749 -17.562 804 HO2' G 5 HO2' G 5 -9.549 -13.099 -20.057 805 H1' G 5 H1' G 5 -10.566 -14.408 -17.486 806 H8 G 5 H8 G 5 -7.739 -16.728 -16.927 807 H1 G 5 H1 G 5 -9.158 -13.244 -11.733 808 H21 G 5 H21 G 5 -11.053 -11.331 -13.914 809 H22 G 5 H22 G 5 -10.501 -11.592 -12.274 810 H5' U 6 H5' U 6 -6.803 -11.897 -17.384 811 H5'' U 6 H5'' U 6 -5.925 -10.671 -18.319 812 H4' U 6 H4' U 6 -4.901 -10.493 -16.303 813 H3' U 6 H3' U 6 -3.253 -11.618 -18.206 814 H2' U 6 H2' U 6 -3.196 -13.836 -17.317 815 HO2' U 6 HO2' U 6 -1.279 -13.961 -16.369 816 H1' U 6 H1' U 6 -3.476 -12.651 -14.496 817 H3 U 6 H3 U 6 -4.027 -16.515 -12.403 818 H5 U 6 H5 U 6 -5.472 -17.376 -16.250 819 H6 U 6 H6 U 6 -4.922 -15.120 -16.878 820 H5' C 7 H5' C 7 -3.482 -6.454 -16.911 821 H5'' C 7 H5'' C 7 -2.225 -6.734 -15.691 822 H4' C 7 H4' C 7 -4.365 -5.357 -15.124 823 H3' C 7 H3' C 7 -2.920 -7.276 -13.334 824 HO3' C 7 HO3' C 7 -1.959 -5.519 -13.031 825 H2' C 7 H2' C 7 -4.627 -7.068 -11.679 826 HO2' C 7 HO2' C 7 -4.799 -4.630 -12.584 827 H1' C 7 H1' C 7 -6.814 -7.093 -13.429 828 H41 C 7 H41 C 7 -4.898 -13.356 -12.484 829 H42 C 7 H42 C 7 -6.439 -13.156 -11.678 830 H5 C 7 H5 C 7 -3.758 -11.533 -13.610 831 H6 C 7 H6 C 7 -3.857 -9.162 -14.168 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 0.823 4.483 2.504 2 H2 ALA 1 H2 ALA 1 2.329 5.263 2.569 3 H3 ALA 1 H3 ALA 1 1.803 4.318 3.876 4 HA ALA 1 HA ALA 1 2.399 3.310 1.158 5 HB1 ALA 1 HB1 ALA 1 3.969 3.004 3.715 6 HB2 ALA 1 HB2 ALA 1 4.418 4.020 2.344 7 HB3 ALA 1 HB3 ALA 1 4.359 2.266 2.162 8 H SER 2 H SER 2 1.006 1.743 0.776 9 HA SER 2 HA SER 2 -0.442 0.311 2.709 10 HB2 SER 2 HB3 SER 2 0.182 -0.538 -0.132 11 HB3 SER 2 HB2 SER 2 -1.176 -1.078 0.858 12 HG SER 2 HG SER 2 -0.698 1.541 -0.152 13 H LYS 3 H LYS 3 -0.299 -1.961 3.259 14 HA LYS 3 HA LYS 3 2.515 -2.830 3.392 15 HB2 LYS 3 HB3 LYS 3 0.249 -3.474 5.290 16 HB3 LYS 3 HB2 LYS 3 1.922 -3.983 5.468 17 HG2 LYS 3 HG3 LYS 3 0.951 -1.133 5.514 18 HG3 LYS 3 HG2 LYS 3 1.355 -2.105 6.929 19 HD2 LYS 3 HD3 LYS 3 3.258 -1.355 4.711 20 HD3 LYS 3 HD2 LYS 3 3.180 -0.586 6.296 21 HE2 LYS 3 HE3 LYS 3 3.725 -2.743 7.346 22 HE3 LYS 3 HE2 LYS 3 3.852 -3.475 5.748 23 HZ1 LYS 3 HZ1 LYS 3 6.025 -2.897 6.555 24 HZ2 LYS 3 HZ2 LYS 3 5.552 -1.291 6.825 25 HZ3 LYS 3 HZ3 LYS 3 5.642 -1.893 5.242 26 H SER 4 H SER 4 2.773 -5.227 3.656 27 HA SER 4 HA SER 4 1.493 -6.668 1.592 28 HB2 SER 4 HB3 SER 4 3.041 -7.750 3.960 29 HB3 SER 4 HB2 SER 4 2.728 -8.589 2.442 30 HG SER 4 HG SER 4 4.317 -7.552 1.543 31 H GLU 5 H GLU 5 0.006 -8.390 1.738 32 HA GLU 5 HA GLU 5 -2.045 -7.903 3.692 33 HB2 GLU 5 HB3 GLU 5 -3.331 -9.601 2.449 34 HB3 GLU 5 HB2 GLU 5 -2.700 -8.340 1.404 35 HG2 GLU 5 HG3 GLU 5 -1.350 -11.004 1.742 36 HG3 GLU 5 HG2 GLU 5 -2.586 -10.701 0.525 37 H SER 6 H SER 6 -2.755 -9.225 5.306 38 HA SER 6 HA SER 6 -0.828 -10.974 6.457 39 HB2 SER 6 HB3 SER 6 -3.712 -10.545 7.267 40 HB3 SER 6 HB2 SER 6 -2.439 -11.254 8.263 41 HG SER 6 HG SER 6 -1.393 -9.034 7.587 42 HA PRO 7 HA PRO 7 -3.808 -14.548 5.277 43 HB2 PRO 7 HB3 PRO 7 -5.792 -13.500 3.416 44 HB3 PRO 7 HB2 PRO 7 -6.041 -14.390 4.919 45 HG2 PRO 7 HG3 PRO 7 -6.673 -11.770 4.644 46 HG3 PRO 7 HG2 PRO 7 -6.160 -12.480 6.185 47 HD2 PRO 7 HD3 PRO 7 -4.576 -10.868 4.218 48 HD3 PRO 7 HD2 PRO 7 -4.584 -10.791 5.994 49 H LYS 8 H LYS 8 -2.040 -15.213 4.098 50 HA LYS 8 HA LYS 8 -1.886 -14.393 1.299 51 HB2 LYS 8 HB3 LYS 8 0.369 -15.139 1.258 52 HB3 LYS 8 HB2 LYS 8 0.157 -14.211 2.733 53 HG2 LYS 8 HG3 LYS 8 0.077 -17.215 2.600 54 HG3 LYS 8 HG2 LYS 8 1.514 -16.271 2.993 55 HD2 LYS 8 HD3 LYS 8 0.480 -15.397 4.961 56 HD3 LYS 8 HD2 LYS 8 -1.077 -16.099 4.516 57 HE2 LYS 8 HE3 LYS 8 1.420 -17.650 5.128 58 HE3 LYS 8 HE2 LYS 8 0.091 -17.383 6.252 59 HZ1 LYS 8 HZ1 LYS 8 -0.059 -19.549 5.179 60 HZ2 LYS 8 HZ2 LYS 8 -0.113 -18.811 3.652 61 HZ3 LYS 8 HZ3 LYS 8 -1.380 -18.570 4.754 62 H GLU 9 H GLU 9 -3.730 -16.427 2.604 63 HA GLU 9 HA GLU 9 -3.146 -19.006 1.761 64 HB2 GLU 9 HB3 GLU 9 -5.686 -17.518 2.267 65 HB3 GLU 9 HB2 GLU 9 -5.774 -19.094 1.494 66 HG2 GLU 9 HG3 GLU 9 -6.079 -19.224 3.915 67 HG3 GLU 9 HG2 GLU 9 -4.668 -20.126 3.369 68 HA PRO 10 HA PRO 10 -2.797 -18.911 -2.552 69 HB2 PRO 10 HB3 PRO 10 -4.275 -21.491 -2.532 70 HB3 PRO 10 HB2 PRO 10 -2.696 -21.099 -3.221 71 HG2 PRO 10 HG3 PRO 10 -2.874 -22.486 -0.960 72 HG3 PRO 10 HG2 PRO 10 -1.616 -21.256 -1.174 73 HD2 PRO 10 HD3 PRO 10 -4.160 -21.117 0.388 74 HD3 PRO 10 HD2 PRO 10 -2.560 -20.453 0.775 75 H GLU 11 H GLU 11 -3.891 -17.728 -3.880 76 HA GLU 11 HA GLU 11 -6.656 -17.302 -3.910 77 HB2 GLU 11 HB3 GLU 11 -5.497 -15.591 -4.908 78 HB3 GLU 11 HB2 GLU 11 -4.334 -16.665 -5.658 79 HG2 GLU 11 HG3 GLU 11 -7.115 -16.696 -6.690 80 HG3 GLU 11 HG2 GLU 11 -6.110 -15.294 -7.050 81 H GLN 12 H GLN 12 -4.624 -19.594 -5.616 82 HA GLN 12 HA GLN 12 -6.585 -20.518 -7.440 83 HB2 GLN 12 HB3 GLN 12 -5.042 -22.211 -7.994 84 HB3 GLN 12 HB2 GLN 12 -4.054 -20.840 -7.515 85 HG2 GLN 12 HG3 GLN 12 -3.956 -21.903 -5.215 86 HG3 GLN 12 HG2 GLN 12 -4.622 -23.347 -5.975 87 HE21 GLN 12 HE21 GLN 12 -2.855 -24.619 -5.678 88 HE22 GLN 12 HE22 GLN 12 -1.336 -24.352 -6.469 89 H LEU 13 H LEU 13 -5.805 -21.286 -4.148 90 HA LEU 13 HA LEU 13 -7.264 -23.726 -3.972 91 HB2 LEU 13 HB3 LEU 13 -5.561 -23.430 -2.388 92 HB3 LEU 13 HB2 LEU 13 -6.079 -21.800 -2.002 93 HG LEU 13 HG LEU 13 -8.159 -22.822 -1.000 94 HD11 LEU 13 HD11 LEU 13 -6.530 -25.337 -1.271 95 HD12 LEU 13 HD12 LEU 13 -8.056 -24.976 -2.081 96 HD13 LEU 13 HD13 LEU 13 -8.010 -25.166 -0.328 97 HD21 LEU 13 HD21 LEU 13 -7.023 -23.390 1.082 98 HD22 LEU 13 HD22 LEU 13 -6.342 -21.945 0.331 99 HD23 LEU 13 HD23 LEU 13 -5.488 -23.486 0.216 100 H ARG 14 H ARG 14 -7.910 -20.361 -3.287 101 HA ARG 14 HA ARG 14 -10.530 -20.882 -2.213 102 HB2 ARG 14 HB3 ARG 14 -9.065 -18.338 -2.907 103 HB3 ARG 14 HB2 ARG 14 -10.711 -18.346 -2.297 104 HG2 ARG 14 HG3 ARG 14 -9.881 -19.560 -0.281 105 HG3 ARG 14 HG2 ARG 14 -8.239 -19.319 -0.887 106 HD2 ARG 14 HD3 ARG 14 -8.473 -16.943 -0.768 107 HD3 ARG 14 HD2 ARG 14 -10.191 -17.080 -0.398 108 HE ARG 14 HE ARG 14 -8.913 -18.444 1.618 109 HH11 ARG 14 HH11 ARG 14 -8.719 -15.208 0.303 110 HH12 ARG 14 HH12 ARG 14 -8.416 -14.455 1.845 111 HH21 ARG 14 HH21 ARG 14 -8.509 -17.466 3.651 112 HH22 ARG 14 HH22 ARG 14 -8.311 -15.744 3.754 113 H LYS 15 H LYS 15 -9.254 -20.733 -5.283 114 HA LYS 15 HA LYS 15 -11.600 -19.632 -6.558 115 HB2 LYS 15 HB3 LYS 15 -9.478 -19.012 -7.460 116 HB3 LYS 15 HB2 LYS 15 -8.970 -20.691 -7.569 117 HG2 LYS 15 HG3 LYS 15 -10.592 -21.099 -9.312 118 HG3 LYS 15 HG2 LYS 15 -11.189 -19.443 -9.169 119 HD2 LYS 15 HD3 LYS 15 -8.311 -20.047 -9.773 120 HD3 LYS 15 HD2 LYS 15 -9.528 -19.942 -11.047 121 HE2 LYS 15 HE3 LYS 15 -8.523 -17.811 -10.887 122 HE3 LYS 15 HE2 LYS 15 -10.115 -17.686 -10.157 123 HZ1 LYS 15 HZ1 LYS 15 -7.563 -17.972 -8.663 124 HZ2 LYS 15 HZ2 LYS 15 -9.108 -17.799 -7.983 125 HZ3 LYS 15 HZ3 LYS 15 -8.431 -16.531 -8.871 126 H LEU 16 H LEU 16 -13.146 -20.753 -7.525 127 HA LEU 16 HA LEU 16 -12.996 -23.678 -7.560 128 HB2 LEU 16 HB3 LEU 16 -15.143 -21.656 -7.452 129 HB3 LEU 16 HB2 LEU 16 -15.500 -23.061 -8.428 130 HG LEU 16 HG LEU 16 -14.890 -22.960 -5.476 131 HD11 LEU 16 HD11 LEU 16 -17.202 -22.475 -6.334 132 HD12 LEU 16 HD12 LEU 16 -17.079 -23.812 -5.194 133 HD13 LEU 16 HD13 LEU 16 -17.251 -24.136 -6.919 134 HD21 LEU 16 HD21 LEU 16 -15.138 -25.387 -7.247 135 HD22 LEU 16 HD22 LEU 16 -15.121 -25.410 -5.485 136 HD23 LEU 16 HD23 LEU 16 -13.697 -24.867 -6.374 137 H PHE 17 H PHE 17 -12.762 -24.776 -9.367 138 HA PHE 17 HA PHE 17 -12.751 -23.414 -11.951 139 HB2 PHE 17 HB3 PHE 17 -10.891 -24.944 -11.377 140 HB3 PHE 17 HB2 PHE 17 -12.039 -26.264 -11.198 141 HD1 PHE 17 HD1 PHE 17 -11.824 -27.786 -12.901 142 HD2 PHE 17 HD2 PHE 17 -11.482 -23.645 -13.790 143 HE1 PHE 17 HE1 PHE 17 -11.530 -28.323 -15.286 144 HE2 PHE 17 HE2 PHE 17 -11.188 -24.172 -16.170 145 HZ PHE 17 HZ PHE 17 -11.202 -26.511 -16.925 146 H ILE 18 H ILE 18 -14.643 -23.279 -12.976 147 HA ILE 18 HA ILE 18 -16.691 -25.312 -12.400 148 HB ILE 18 HB ILE 18 -17.162 -22.613 -13.656 149 HG12 ILE 18 HG12 ILE 18 -16.180 -22.174 -11.499 150 HG13 ILE 18 HG13 ILE 18 -17.911 -21.880 -11.392 151 HG21 ILE 18 HG21 ILE 18 -18.992 -24.554 -12.253 152 HG22 ILE 18 HG22 ILE 18 -18.921 -24.250 -13.989 153 HG23 ILE 18 HG23 ILE 18 -19.461 -22.978 -12.894 154 HD11 ILE 18 HD11 ILE 18 -18.202 -24.059 -10.320 155 HD12 ILE 18 HD12 ILE 18 -17.101 -23.013 -9.419 156 HD13 ILE 18 HD13 ILE 18 -16.460 -24.324 -10.410 157 H GLY 19 H GLY 19 -16.504 -26.865 -13.919 158 HA2 GLY 19 HA3 GLY 19 -16.235 -25.969 -16.719 159 HA3 GLY 19 HA2 GLY 19 -15.680 -27.524 -16.117 160 H GLY 20 H GLY 20 -17.573 -26.765 -18.298 161 HA2 GLY 20 HA3 GLY 20 -19.234 -28.120 -19.226 162 HA3 GLY 20 HA2 GLY 20 -19.516 -28.823 -17.640 163 H LEU 21 H LEU 21 -19.656 -25.505 -18.946 164 HA LEU 21 HA LEU 21 -22.435 -25.393 -17.993 165 HB2 LEU 21 HB3 LEU 21 -21.998 -22.919 -17.609 166 HB3 LEU 21 HB2 LEU 21 -21.317 -24.047 -16.457 167 HG LEU 21 HG LEU 21 -19.189 -23.814 -18.022 168 HD11 LEU 21 HD11 LEU 21 -20.387 -22.315 -19.610 169 HD12 LEU 21 HD12 LEU 21 -18.913 -21.625 -18.932 170 HD13 LEU 21 HD13 LEU 21 -20.484 -21.116 -18.321 171 HD21 LEU 21 HD21 LEU 21 -18.400 -22.054 -16.501 172 HD22 LEU 21 HD22 LEU 21 -19.240 -23.354 -15.656 173 HD23 LEU 21 HD23 LEU 21 -20.056 -21.817 -15.942 174 H SER 22 H SER 22 -23.654 -23.532 -19.045 175 HA SER 22 HA SER 22 -23.761 -24.159 -21.790 176 HB2 SER 22 HB3 SER 22 -25.109 -21.868 -20.348 177 HB3 SER 22 HB2 SER 22 -25.598 -22.579 -21.885 178 HG SER 22 HG SER 22 -26.625 -23.250 -19.735 179 H PHE 23 H PHE 23 -23.708 -22.617 -23.572 180 HA PHE 23 HA PHE 23 -21.360 -20.939 -23.454 181 HB2 PHE 23 HB3 PHE 23 -23.320 -21.367 -25.720 182 HB3 PHE 23 HB2 PHE 23 -21.742 -20.596 -25.849 183 HD1 PHE 23 HD1 PHE 23 -23.552 -23.704 -25.758 184 HD2 PHE 23 HD2 PHE 23 -19.687 -21.950 -25.492 185 HE1 PHE 23 HE1 PHE 23 -22.528 -25.903 -26.179 186 HE2 PHE 23 HE2 PHE 23 -18.655 -24.142 -25.916 187 HZ PHE 23 HZ PHE 23 -20.076 -26.124 -26.258 188 H GLU 24 H GLU 24 -24.400 -20.522 -22.462 189 HA GLU 24 HA GLU 24 -24.559 -17.689 -23.181 190 HB2 GLU 24 HB3 GLU 24 -26.569 -19.369 -21.678 191 HB3 GLU 24 HB2 GLU 24 -26.828 -17.774 -22.372 192 HG2 GLU 24 HG3 GLU 24 -26.498 -18.721 -24.616 193 HG3 GLU 24 HG2 GLU 24 -26.298 -20.312 -23.892 194 H THR 25 H THR 25 -23.538 -19.784 -20.770 195 HA THR 25 HA THR 25 -24.041 -18.199 -18.465 196 HB THR 25 HB THR 25 -21.971 -20.360 -18.879 197 HG1 THR 25 HG1 THR 25 -24.737 -20.427 -18.319 198 HG21 THR 25 HG21 THR 25 -22.146 -20.652 -16.446 199 HG22 THR 25 HG22 THR 25 -23.270 -19.295 -16.367 200 HG23 THR 25 HG23 THR 25 -21.598 -19.027 -16.861 201 H THR 26 H THR 26 -23.173 -16.244 -18.263 202 HA THR 26 HA THR 26 -20.349 -15.878 -18.982 203 HB THR 26 HB THR 26 -21.735 -14.545 -20.456 204 HG1 THR 26 HG1 THR 26 -21.016 -12.343 -19.484 205 HG21 THR 26 HG21 THR 26 -23.745 -14.379 -19.111 206 HG22 THR 26 HG22 THR 26 -23.196 -12.768 -19.572 207 HG23 THR 26 HG23 THR 26 -22.905 -13.366 -17.938 208 H ASP 27 H ASP 27 -19.368 -14.011 -17.730 209 HA ASP 27 HA ASP 27 -18.934 -14.779 -15.162 210 HB2 ASP 27 HB3 ASP 27 -18.930 -11.835 -15.669 211 HB3 ASP 27 HB2 ASP 27 -17.748 -12.832 -14.841 212 H GLU 28 H GLU 28 -21.217 -12.267 -16.174 213 HA GLU 28 HA GLU 28 -22.052 -11.573 -13.586 214 HB2 GLU 28 HB3 GLU 28 -23.908 -10.406 -14.700 215 HB3 GLU 28 HB2 GLU 28 -22.363 -10.074 -15.467 216 HG2 GLU 28 HG3 GLU 28 -22.894 -11.695 -17.222 217 HG3 GLU 28 HG2 GLU 28 -24.455 -11.996 -16.462 218 H SER 29 H SER 29 -23.411 -13.902 -15.921 219 HA SER 29 HA SER 29 -25.726 -14.284 -14.226 220 HB2 SER 29 HB3 SER 29 -26.346 -16.009 -15.943 221 HB3 SER 29 HB2 SER 29 -26.099 -14.390 -16.595 222 HG SER 29 HG SER 29 -25.059 -16.428 -17.587 223 H LEU 30 H LEU 30 -22.641 -15.720 -14.725 224 HA LEU 30 HA LEU 30 -23.271 -18.211 -13.441 225 HB2 LEU 30 HB3 LEU 30 -21.448 -18.068 -15.065 226 HB3 LEU 30 HB2 LEU 30 -20.613 -16.909 -14.051 227 HG LEU 30 HG LEU 30 -21.220 -19.532 -12.808 228 HD11 LEU 30 HD11 LEU 30 -20.518 -20.194 -15.052 229 HD12 LEU 30 HD12 LEU 30 -19.291 -20.591 -13.850 230 HD13 LEU 30 HD13 LEU 30 -19.077 -19.190 -14.897 231 HD21 LEU 30 HD21 LEU 30 -20.027 -17.769 -11.607 232 HD22 LEU 30 HD22 LEU 30 -18.788 -17.751 -12.862 233 HD23 LEU 30 HD23 LEU 30 -19.001 -19.182 -11.853 234 H ARG 31 H ARG 31 -21.654 -15.194 -12.521 235 HA ARG 31 HA ARG 31 -21.009 -16.040 -9.913 236 HB2 ARG 31 HB3 ARG 31 -20.120 -13.976 -9.600 237 HB3 ARG 31 HB2 ARG 31 -20.246 -13.931 -11.352 238 HG2 ARG 31 HG3 ARG 31 -22.401 -12.729 -11.113 239 HG3 ARG 31 HG2 ARG 31 -22.134 -12.692 -9.366 240 HD2 ARG 31 HD3 ARG 31 -19.910 -11.584 -9.885 241 HD3 ARG 31 HD2 ARG 31 -20.517 -11.371 -11.526 242 HE ARG 31 HE ARG 31 -22.363 -10.392 -9.591 243 HH11 ARG 31 HH11 ARG 31 -19.421 -9.610 -11.328 244 HH12 ARG 31 HH12 ARG 31 -19.595 -7.893 -11.107 245 HH21 ARG 31 HH21 ARG 31 -22.573 -8.145 -9.258 246 HH22 ARG 31 HH22 ARG 31 -21.371 -7.061 -9.892 247 H SER 32 H SER 32 -23.878 -14.551 -11.290 248 HA SER 32 HA SER 32 -25.150 -13.885 -8.876 249 HB2 SER 32 HB3 SER 32 -26.395 -14.698 -11.515 250 HB3 SER 32 HB2 SER 32 -27.243 -13.902 -10.190 251 HG SER 32 HG SER 32 -25.058 -12.852 -11.686 252 H HIS 33 H HIS 33 -24.649 -16.946 -10.423 253 HA HIS 33 HA HIS 33 -26.594 -18.255 -8.705 254 HB2 HIS 33 HB3 HIS 33 -24.843 -19.170 -10.958 255 HB3 HIS 33 HB2 HIS 33 -25.486 -20.358 -9.827 256 HD2 HIS 33 HD2 HIS 33 -26.486 -18.684 -13.018 257 HE1 HIS 33 HE1 HIS 33 -30.079 -19.944 -11.172 258 HE2 HIS 33 HE2 HIS 33 -29.058 -18.947 -13.270 259 H PHE 34 H PHE 34 -23.094 -17.921 -8.986 260 HA PHE 34 HA PHE 34 -22.676 -19.839 -6.878 261 HB2 PHE 34 HB3 PHE 34 -20.838 -18.196 -8.579 262 HB3 PHE 34 HB2 PHE 34 -20.231 -19.015 -7.140 263 HD1 PHE 34 HD1 PHE 34 -19.954 -21.369 -7.078 264 HD2 PHE 34 HD2 PHE 34 -21.750 -19.513 -10.459 265 HE1 PHE 34 HE1 PHE 34 -19.742 -23.470 -8.338 266 HE2 PHE 34 HE2 PHE 34 -21.540 -21.612 -11.728 267 HZ PHE 34 HZ PHE 34 -20.532 -23.596 -10.668 268 H GLU 35 H GLU 35 -23.123 -16.419 -7.054 269 HA GLU 35 HA GLU 35 -21.914 -15.815 -4.534 270 HB2 GLU 35 HB3 GLU 35 -23.932 -14.318 -6.193 271 HB3 GLU 35 HB2 GLU 35 -23.344 -13.727 -4.649 272 HG2 GLU 35 HG3 GLU 35 -21.025 -13.842 -5.626 273 HG3 GLU 35 HG2 GLU 35 -21.796 -14.132 -7.186 274 H GLN 36 H GLN 36 -24.225 -17.899 -5.002 275 HA GLN 36 HA GLN 36 -26.152 -16.913 -3.065 276 HB2 GLN 36 HB3 GLN 36 -26.047 -19.261 -4.919 277 HB3 GLN 36 HB2 GLN 36 -27.183 -19.235 -3.579 278 HG2 GLN 36 HG3 GLN 36 -28.284 -17.319 -4.426 279 HG3 GLN 36 HG2 GLN 36 -27.002 -17.014 -5.594 280 HE21 GLN 36 HE21 GLN 36 -26.733 -19.727 -6.457 281 HE22 GLN 36 HE22 GLN 36 -28.138 -20.107 -7.394 282 H TRP 37 H TRP 37 -23.446 -19.066 -3.217 283 HA TRP 37 HA TRP 37 -24.061 -19.966 -0.481 284 HB2 TRP 37 HB3 TRP 37 -22.346 -21.330 -2.577 285 HB3 TRP 37 HB2 TRP 37 -22.529 -21.877 -0.915 286 HD1 TRP 37 HD1 TRP 37 -24.754 -23.131 -0.262 287 HE1 TRP 37 HE1 TRP 37 -26.706 -24.098 -1.625 288 HE3 TRP 37 HE3 TRP 37 -23.735 -20.948 -4.764 289 HZ2 TRP 37 HZ2 TRP 37 -27.680 -23.961 -4.265 290 HZ3 TRP 37 HZ3 TRP 37 -25.228 -21.427 -6.662 291 HH2 TRP 37 HH2 TRP 37 -27.156 -22.902 -6.416 292 H GLY 38 H GLY 38 -22.566 -17.570 -1.776 293 HA2 GLY 38 HA3 GLY 38 -20.962 -16.900 0.322 294 HA3 GLY 38 HA2 GLY 38 -19.903 -17.850 -0.704 295 H THR 39 H THR 39 -18.856 -15.602 -0.444 296 HA THR 39 HA THR 39 -19.890 -13.689 -2.414 297 HB THR 39 HB THR 39 -17.785 -13.460 -0.259 298 HG1 THR 39 HG1 THR 39 -20.291 -13.298 -0.004 299 HG21 THR 39 HG21 THR 39 -17.059 -12.129 -2.150 300 HG22 THR 39 HG22 THR 39 -17.644 -11.071 -0.865 301 HG23 THR 39 HG23 THR 39 -18.656 -11.389 -2.276 302 H LEU 40 H LEU 40 -19.029 -13.663 -4.419 303 HA LEU 40 HA LEU 40 -16.453 -14.958 -4.867 304 HB2 LEU 40 HB3 LEU 40 -18.285 -13.735 -6.923 305 HB3 LEU 40 HB2 LEU 40 -16.973 -14.861 -7.204 306 HG LEU 40 HG LEU 40 -19.410 -15.586 -5.621 307 HD11 LEU 40 HD11 LEU 40 -20.138 -16.777 -7.661 308 HD12 LEU 40 HD12 LEU 40 -18.875 -15.926 -8.549 309 HD13 LEU 40 HD13 LEU 40 -20.187 -15.022 -7.799 310 HD21 LEU 40 HD21 LEU 40 -17.568 -16.993 -5.135 311 HD22 LEU 40 HD22 LEU 40 -17.171 -17.147 -6.845 312 HD23 LEU 40 HD23 LEU 40 -18.648 -17.878 -6.214 313 H THR 41 H THR 41 -14.721 -13.728 -4.590 314 HA THR 41 HA THR 41 -14.809 -10.864 -4.941 315 HB THR 41 HB THR 41 -12.432 -10.914 -4.345 316 HG1 THR 41 HG1 THR 41 -11.657 -12.766 -5.277 317 HG21 THR 41 HG21 THR 41 -14.080 -11.004 -2.527 318 HG22 THR 41 HG22 THR 41 -12.615 -11.893 -2.107 319 HG23 THR 41 HG23 THR 41 -14.066 -12.767 -2.601 320 H ASP 42 H ASP 42 -13.886 -13.689 -6.712 321 HA ASP 42 HA ASP 42 -13.236 -12.035 -9.034 322 HB2 ASP 42 HB3 ASP 42 -11.525 -14.340 -8.065 323 HB3 ASP 42 HB2 ASP 42 -11.325 -13.508 -9.603 324 H CYS 43 H CYS 43 -15.257 -12.609 -9.804 325 HA CYS 43 HA CYS 43 -15.605 -15.439 -10.526 326 HB2 CYS 43 HB3 CYS 43 -18.043 -14.555 -10.909 327 HB3 CYS 43 HB2 CYS 43 -17.480 -14.901 -9.276 328 HG CYS 43 HG CYS 43 -17.852 -11.828 -10.737 329 H VAL 44 H VAL 44 -15.264 -15.918 -12.585 330 HA VAL 44 HA VAL 44 -15.942 -14.098 -14.711 331 HB VAL 44 HB VAL 44 -13.847 -13.097 -13.955 332 HG11 VAL 44 HG11 VAL 44 -12.858 -15.084 -12.924 333 HG12 VAL 44 HG12 VAL 44 -11.738 -14.303 -14.039 334 HG13 VAL 44 HG13 VAL 44 -12.581 -15.775 -14.524 335 HG21 VAL 44 HG21 VAL 44 -14.397 -13.099 -16.362 336 HG22 VAL 44 HG22 VAL 44 -13.431 -14.562 -16.560 337 HG23 VAL 44 HG23 VAL 44 -12.663 -13.056 -16.055 338 H VAL 45 H VAL 45 -16.165 -15.138 -16.631 339 HA VAL 45 HA VAL 45 -15.586 -18.022 -16.621 340 HB VAL 45 HB VAL 45 -17.218 -18.236 -18.408 341 HG11 VAL 45 HG11 VAL 45 -18.016 -18.329 -16.131 342 HG12 VAL 45 HG12 VAL 45 -19.228 -17.575 -17.169 343 HG13 VAL 45 HG13 VAL 45 -18.225 -16.578 -16.111 344 HG21 VAL 45 HG21 VAL 45 -17.555 -15.249 -18.207 345 HG22 VAL 45 HG22 VAL 45 -18.551 -16.336 -19.175 346 HG23 VAL 45 HG23 VAL 45 -16.844 -16.126 -19.562 347 H MET 46 H MET 46 -14.917 -18.953 -18.768 348 HA MET 46 HA MET 46 -12.903 -17.159 -19.924 349 HB2 MET 46 HB3 MET 46 -13.115 -20.171 -19.954 350 HB3 MET 46 HB2 MET 46 -11.897 -19.263 -20.838 351 HG2 MET 46 HG3 MET 46 -12.277 -19.329 -17.858 352 HG3 MET 46 HG2 MET 46 -10.978 -20.088 -18.777 353 HE1 MET 46 HE1 MET 46 -9.224 -18.903 -17.149 354 HE2 MET 46 HE2 MET 46 -10.573 -18.169 -16.280 355 HE3 MET 46 HE3 MET 46 -9.228 -17.167 -16.825 356 H ARG 47 H ARG 47 -12.769 -16.774 -22.094 357 HA ARG 47 HA ARG 47 -15.116 -17.623 -23.651 358 HB2 ARG 47 HB3 ARG 47 -13.230 -15.312 -24.082 359 HB3 ARG 47 HB2 ARG 47 -14.506 -15.765 -25.197 360 HG2 ARG 47 HG3 ARG 47 -15.446 -14.017 -24.034 361 HG3 ARG 47 HG2 ARG 47 -16.082 -15.426 -23.188 362 HD2 ARG 47 HD3 ARG 47 -14.701 -15.088 -21.339 363 HD3 ARG 47 HD2 ARG 47 -13.584 -14.061 -22.241 364 HE ARG 47 HE ARG 47 -15.516 -12.436 -22.333 365 HH11 ARG 47 HH11 ARG 47 -14.991 -14.612 -19.633 366 HH12 ARG 47 HH12 ARG 47 -15.960 -13.671 -18.531 367 HH21 ARG 47 HH21 ARG 47 -16.752 -11.199 -20.883 368 HH22 ARG 47 HH22 ARG 47 -16.970 -11.753 -19.238 369 H ASP 48 H ASP 48 -14.773 -18.090 -25.907 370 HA ASP 48 HA ASP 48 -12.518 -19.716 -26.491 371 HB2 ASP 48 HB3 ASP 48 -14.834 -19.762 -27.620 372 HB3 ASP 48 HB2 ASP 48 -14.260 -18.382 -28.547 373 HA PRO 49 HA PRO 49 -9.646 -16.484 -27.470 374 HB2 PRO 49 HB3 PRO 49 -7.812 -17.922 -28.824 375 HB3 PRO 49 HB2 PRO 49 -8.017 -18.043 -27.074 376 HG2 PRO 49 HG3 PRO 49 -9.089 -19.834 -29.229 377 HG3 PRO 49 HG2 PRO 49 -8.288 -20.279 -27.708 378 HD2 PRO 49 HD3 PRO 49 -10.967 -20.332 -27.983 379 HD3 PRO 49 HD2 PRO 49 -10.188 -19.885 -26.449 380 H ASN 50 H ASN 50 -11.554 -18.057 -29.747 381 HA ASN 50 HA ASN 50 -10.517 -16.362 -31.931 382 HB2 ASN 50 HB3 ASN 50 -12.281 -18.766 -32.348 383 HB3 ASN 50 HB2 ASN 50 -11.221 -17.969 -33.504 384 HD21 ASN 50 HD21 ASN 50 -11.415 -20.112 -30.782 385 HD22 ASN 50 HD22 ASN 50 -9.834 -20.833 -30.981 386 H THR 51 H THR 51 -13.493 -17.930 -30.791 387 HA THR 51 HA THR 51 -15.162 -16.103 -32.232 388 HB THR 51 HB THR 51 -17.007 -17.345 -31.400 389 HG1 THR 51 HG1 THR 51 -16.540 -18.967 -29.663 390 HG21 THR 51 HG21 THR 51 -14.671 -19.246 -31.650 391 HG22 THR 51 HG22 THR 51 -15.605 -18.578 -32.990 392 HG23 THR 51 HG23 THR 51 -16.373 -19.670 -31.838 393 H LYS 52 H LYS 52 -13.981 -16.404 -28.977 394 HA LYS 52 HA LYS 52 -13.938 -15.018 -27.205 395 HB2 LYS 52 HB3 LYS 52 -15.168 -12.953 -29.035 396 HB3 LYS 52 HB2 LYS 52 -14.443 -12.641 -27.465 397 HG2 LYS 52 HG3 LYS 52 -13.040 -13.616 -29.942 398 HG3 LYS 52 HG2 LYS 52 -12.897 -12.026 -29.193 399 HD2 LYS 52 HD3 LYS 52 -12.079 -14.633 -27.908 400 HD3 LYS 52 HD2 LYS 52 -10.978 -13.506 -28.698 401 HE2 LYS 52 HE3 LYS 52 -11.710 -11.763 -27.070 402 HE3 LYS 52 HE2 LYS 52 -12.638 -13.007 -26.233 403 HZ1 LYS 52 HZ1 LYS 52 -10.443 -12.609 -25.238 404 HZ2 LYS 52 HZ2 LYS 52 -9.705 -13.106 -26.680 405 HZ3 LYS 52 HZ3 LYS 52 -10.622 -14.209 -25.776 406 H ARG 53 H ARG 53 -16.308 -16.677 -27.945 407 HA ARG 53 HA ARG 53 -18.282 -15.322 -26.225 408 HB2 ARG 53 HB3 ARG 53 -18.581 -17.741 -28.023 409 HB3 ARG 53 HB2 ARG 53 -19.805 -17.240 -26.865 410 HG2 ARG 53 HG3 ARG 53 -20.587 -16.320 -28.816 411 HG3 ARG 53 HG2 ARG 53 -19.686 -14.970 -28.122 412 HD2 ARG 53 HD3 ARG 53 -17.752 -15.587 -29.510 413 HD3 ARG 53 HD2 ARG 53 -18.704 -16.879 -30.235 414 HE ARG 53 HE ARG 53 -19.713 -14.139 -30.435 415 HH11 ARG 53 HH11 ARG 53 -18.344 -16.977 -31.960 416 HH12 ARG 53 HH12 ARG 53 -18.525 -16.357 -33.576 417 HH21 ARG 53 HH21 ARG 53 -19.998 -13.338 -32.558 418 HH22 ARG 53 HH22 ARG 53 -19.499 -14.301 -33.914 419 H SER 54 H SER 54 -19.442 -17.053 -24.741 420 HA SER 54 HA SER 54 -17.581 -17.882 -22.852 421 HB2 SER 54 HB3 SER 54 -20.019 -17.589 -22.407 422 HB3 SER 54 HB2 SER 54 -20.329 -19.085 -23.288 423 HG SER 54 HG SER 54 -19.941 -18.969 -20.790 424 H ARG 55 H ARG 55 -16.264 -19.525 -22.683 425 HA ARG 55 HA ARG 55 -15.871 -21.222 -24.939 426 HB2 ARG 55 HB3 ARG 55 -14.289 -20.214 -22.944 427 HB3 ARG 55 HB2 ARG 55 -14.443 -21.897 -22.464 428 HG2 ARG 55 HG3 ARG 55 -13.630 -22.586 -24.677 429 HG3 ARG 55 HG2 ARG 55 -13.446 -20.880 -25.111 430 HD2 ARG 55 HD3 ARG 55 -11.705 -20.551 -23.618 431 HD3 ARG 55 HD2 ARG 55 -12.131 -21.964 -22.655 432 HE ARG 55 HE ARG 55 -11.432 -22.983 -25.091 433 HH11 ARG 55 HH11 ARG 55 -9.838 -20.789 -22.868 434 HH12 ARG 55 HH12 ARG 55 -8.255 -21.457 -23.146 435 HH21 ARG 55 HH21 ARG 55 -9.369 -23.880 -25.441 436 HH22 ARG 55 HH22 ARG 55 -7.985 -23.209 -24.626 437 H GLY 56 H GLY 56 -17.475 -21.554 -21.888 438 HA2 GLY 56 HA3 GLY 56 -19.121 -23.398 -21.796 439 HA3 GLY 56 HA2 GLY 56 -17.849 -24.439 -22.425 440 H PHE 57 H PHE 57 -16.720 -22.127 -20.224 441 HA PHE 57 HA PHE 57 -17.281 -23.481 -17.790 442 HB2 PHE 57 HB3 PHE 57 -15.172 -24.445 -17.280 443 HB3 PHE 57 HB2 PHE 57 -15.567 -25.005 -18.900 444 HD1 PHE 57 HD1 PHE 57 -13.112 -23.564 -16.860 445 HD2 PHE 57 HD2 PHE 57 -14.574 -23.579 -20.849 446 HE1 PHE 57 HE1 PHE 57 -10.953 -22.691 -17.649 447 HE2 PHE 57 HE2 PHE 57 -12.418 -22.712 -21.650 448 HZ PHE 57 HZ PHE 57 -10.603 -22.266 -20.048 449 H GLY 58 H GLY 58 -15.942 -22.505 -15.962 450 HA2 GLY 58 HA3 GLY 58 -14.709 -19.950 -16.509 451 HA3 GLY 58 HA2 GLY 58 -16.306 -19.820 -15.787 452 H PHE 59 H PHE 59 -14.773 -18.681 -14.198 453 HA PHE 59 HA PHE 59 -14.009 -20.637 -12.138 454 HB2 PHE 59 HB3 PHE 59 -12.451 -18.218 -13.030 455 HB3 PHE 59 HB2 PHE 59 -12.150 -19.041 -11.512 456 HD1 PHE 59 HD1 PHE 59 -11.178 -21.266 -11.477 457 HD2 PHE 59 HD2 PHE 59 -11.782 -19.173 -15.129 458 HE1 PHE 59 HE1 PHE 59 -9.629 -22.803 -12.610 459 HE2 PHE 59 HE2 PHE 59 -10.242 -20.712 -16.273 460 HZ PHE 59 HZ PHE 59 -9.158 -22.528 -15.012 461 H VAL 60 H VAL 60 -14.248 -19.975 -10.031 462 HA VAL 60 HA VAL 60 -15.342 -17.328 -9.483 463 HB VAL 60 HB VAL 60 -16.938 -18.626 -7.823 464 HG11 VAL 60 HG11 VAL 60 -17.545 -16.896 -9.413 465 HG12 VAL 60 HG12 VAL 60 -18.723 -18.213 -9.414 466 HG13 VAL 60 HG13 VAL 60 -17.538 -18.088 -10.715 467 HG21 VAL 60 HG21 VAL 60 -16.291 -20.851 -8.557 468 HG22 VAL 60 HG22 VAL 60 -16.760 -20.450 -10.207 469 HG23 VAL 60 HG23 VAL 60 -17.981 -20.530 -8.937 470 H THR 61 H THR 61 -13.996 -16.505 -8.105 471 HA THR 61 HA THR 61 -12.699 -18.252 -6.139 472 HB THR 61 HB THR 61 -12.043 -15.358 -6.700 473 HG1 THR 61 HG1 THR 61 -11.764 -16.455 -8.641 474 HG21 THR 61 HG21 THR 61 -9.849 -15.976 -5.791 475 HG22 THR 61 HG22 THR 61 -10.424 -17.622 -5.521 476 HG23 THR 61 HG23 THR 61 -11.135 -16.280 -4.623 477 H TYR 62 H TYR 62 -13.837 -18.422 -4.320 478 HA TYR 62 HA TYR 62 -15.645 -16.380 -3.443 479 HB2 TYR 62 HB3 TYR 62 -14.737 -19.003 -2.282 480 HB3 TYR 62 HB2 TYR 62 -15.760 -17.901 -1.368 481 HD1 TYR 62 HD1 TYR 62 -18.069 -17.526 -2.012 482 HD2 TYR 62 HD2 TYR 62 -15.608 -20.200 -4.220 483 HE1 TYR 62 HE1 TYR 62 -20.070 -18.478 -3.078 484 HE2 TYR 62 HE2 TYR 62 -17.606 -21.152 -5.288 485 HH TYR 62 HH TYR 62 -20.719 -19.698 -4.990 486 H ALA 63 H ALA 63 -15.539 -15.732 -1.051 487 HA ALA 63 HA ALA 63 -13.157 -14.172 -0.734 488 HB1 ALA 63 HB1 ALA 63 -14.238 -13.331 1.287 489 HB2 ALA 63 HB2 ALA 63 -15.465 -14.595 1.167 490 HB3 ALA 63 HB3 ALA 63 -15.368 -13.339 -0.070 491 H THR 64 H THR 64 -14.386 -17.160 0.497 492 HA THR 64 HA THR 64 -11.785 -17.776 1.619 493 HB THR 64 HB THR 64 -12.785 -16.869 3.595 494 HG1 THR 64 HG1 THR 64 -13.041 -18.820 4.891 495 HG21 THR 64 HG21 THR 64 -15.176 -18.625 3.082 496 HG22 THR 64 HG22 THR 64 -15.117 -16.882 2.815 497 HG23 THR 64 HG23 THR 64 -14.953 -17.532 4.447 498 H VAL 65 H VAL 65 -11.522 -20.065 1.998 499 HA VAL 65 HA VAL 65 -12.714 -21.678 0.026 500 HB VAL 65 HB VAL 65 -11.614 -23.585 1.157 501 HG11 VAL 65 HG11 VAL 65 -9.317 -22.782 0.866 502 HG12 VAL 65 HG12 VAL 65 -9.904 -21.119 0.867 503 HG13 VAL 65 HG13 VAL 65 -10.375 -22.220 -0.428 504 HG21 VAL 65 HG21 VAL 65 -11.916 -22.897 3.475 505 HG22 VAL 65 HG22 VAL 65 -10.834 -21.528 3.223 506 HG23 VAL 65 HG23 VAL 65 -10.208 -23.173 3.127 507 H GLU 66 H GLU 66 -13.696 -20.857 3.199 508 HA GLU 66 HA GLU 66 -15.345 -22.988 3.917 509 HB2 GLU 66 HB3 GLU 66 -15.914 -20.063 4.414 510 HB3 GLU 66 HB2 GLU 66 -16.436 -21.430 5.390 511 HG2 GLU 66 HG3 GLU 66 -14.211 -21.842 6.132 512 HG3 GLU 66 HG2 GLU 66 -13.554 -20.684 4.985 513 H GLU 67 H GLU 67 -15.881 -20.273 1.763 514 HA GLU 67 HA GLU 67 -18.666 -20.857 1.360 515 HB2 GLU 67 HB3 GLU 67 -16.937 -19.124 -0.389 516 HB3 GLU 67 HB2 GLU 67 -18.672 -19.019 -0.129 517 HG2 GLU 67 HG3 GLU 67 -18.230 -18.374 2.218 518 HG3 GLU 67 HG2 GLU 67 -16.510 -18.363 1.844 519 H VAL 68 H VAL 68 -15.631 -21.440 -0.296 520 HA VAL 68 HA VAL 68 -16.545 -22.539 -2.686 521 HB VAL 68 HB VAL 68 -14.084 -23.132 -1.045 522 HG11 VAL 68 HG11 VAL 68 -14.747 -24.246 -3.773 523 HG12 VAL 68 HG12 VAL 68 -14.636 -25.175 -2.277 524 HG13 VAL 68 HG13 VAL 68 -13.198 -24.400 -2.942 525 HG21 VAL 68 HG21 VAL 68 -12.956 -21.945 -2.847 526 HG22 VAL 68 HG22 VAL 68 -14.229 -20.950 -2.138 527 HG23 VAL 68 HG23 VAL 68 -14.493 -21.751 -3.689 528 H ASP 69 H ASP 69 -15.890 -24.140 0.418 529 HA ASP 69 HA ASP 69 -16.646 -26.715 -0.367 530 HB2 ASP 69 HB3 ASP 69 -16.447 -25.335 2.277 531 HB3 ASP 69 HB2 ASP 69 -17.226 -26.912 2.193 532 H ALA 70 H ALA 70 -18.591 -24.019 0.847 533 HA ALA 70 HA ALA 70 -20.972 -25.483 1.210 534 HB1 ALA 70 HB1 ALA 70 -20.640 -22.558 0.549 535 HB2 ALA 70 HB2 ALA 70 -20.657 -23.263 2.166 536 HB3 ALA 70 HB3 ALA 70 -22.108 -23.319 1.163 537 H ALA 71 H ALA 71 -19.613 -23.796 -1.582 538 HA ALA 71 HA ALA 71 -21.840 -24.216 -3.298 539 HB1 ALA 71 HB1 ALA 71 -20.315 -23.628 -5.106 540 HB2 ALA 71 HB2 ALA 71 -18.942 -23.781 -4.010 541 HB3 ALA 71 HB3 ALA 71 -20.142 -22.513 -3.751 542 H MET 72 H MET 72 -19.010 -26.090 -2.446 543 HA MET 72 HA MET 72 -19.334 -28.070 -4.461 544 HB2 MET 72 HB3 MET 72 -17.916 -28.214 -1.795 545 HB3 MET 72 HB2 MET 72 -17.825 -29.446 -3.042 546 HG2 MET 72 HG3 MET 72 -16.898 -27.641 -4.566 547 HG3 MET 72 HG2 MET 72 -16.754 -26.647 -3.120 548 HE1 MET 72 HE1 MET 72 -14.132 -26.580 -4.127 549 HE2 MET 72 HE2 MET 72 -14.461 -27.864 -5.290 550 HE3 MET 72 HE3 MET 72 -13.111 -28.017 -4.164 551 H ASN 73 H ASN 73 -20.602 -27.644 -1.209 552 HA ASN 73 HA ASN 73 -21.839 -30.231 -1.074 553 HB2 ASN 73 HB3 ASN 73 -22.193 -27.693 0.515 554 HB3 ASN 73 HB2 ASN 73 -23.233 -29.088 0.768 555 HD21 ASN 73 HD21 ASN 73 -20.082 -27.749 1.188 556 HD22 ASN 73 HD22 ASN 73 -19.466 -28.992 2.220 557 H ALA 74 H ALA 74 -22.521 -27.371 -2.719 558 HA ALA 74 HA ALA 74 -25.399 -27.686 -2.757 559 HB1 ALA 74 HB1 ALA 74 -23.608 -25.763 -4.237 560 HB2 ALA 74 HB2 ALA 74 -24.428 -25.450 -2.702 561 HB3 ALA 74 HB3 ALA 74 -25.369 -25.695 -4.177 562 H ARG 75 H ARG 75 -23.145 -29.463 -4.114 563 HA ARG 75 HA ARG 75 -23.917 -29.523 -6.866 564 HB2 ARG 75 HB3 ARG 75 -22.556 -31.540 -6.998 565 HB3 ARG 75 HB2 ARG 75 -21.704 -30.296 -6.094 566 HG2 ARG 75 HG3 ARG 75 -22.434 -31.386 -3.995 567 HG3 ARG 75 HG2 ARG 75 -23.148 -32.678 -4.962 568 HD2 ARG 75 HD3 ARG 75 -20.944 -33.172 -5.909 569 HD3 ARG 75 HD2 ARG 75 -20.238 -31.891 -4.924 570 HE ARG 75 HE ARG 75 -21.628 -34.158 -3.657 571 HH11 ARG 75 HH11 ARG 75 -18.750 -32.226 -4.134 572 HH12 ARG 75 HH12 ARG 75 -17.863 -32.978 -2.842 573 HH21 ARG 75 HH21 ARG 75 -20.478 -35.166 -1.956 574 HH22 ARG 75 HH22 ARG 75 -18.853 -34.657 -1.601 575 HA PRO 76 HA PRO 76 -24.073 -31.132 -8.520 576 HB2 PRO 76 HB3 PRO 76 -26.611 -31.291 -9.951 577 HB3 PRO 76 HB2 PRO 76 -25.180 -32.312 -10.109 578 HG2 PRO 76 HG3 PRO 76 -27.508 -33.198 -9.038 579 HG3 PRO 76 HG2 PRO 76 -25.922 -33.820 -8.549 580 HD2 PRO 76 HD3 PRO 76 -27.682 -31.826 -7.178 581 HD3 PRO 76 HD2 PRO 76 -26.710 -33.140 -6.483 582 H HIS 77 H HIS 77 -23.576 -29.113 -9.038 583 HA HIS 77 HA HIS 77 -25.216 -26.930 -8.251 584 HB2 HIS 77 HB3 HIS 77 -22.596 -27.116 -8.584 585 HB3 HIS 77 HB2 HIS 77 -22.987 -26.546 -10.206 586 HD2 HIS 77 HD2 HIS 77 -22.263 -25.165 -6.794 587 HE1 HIS 77 HE1 HIS 77 -24.334 -22.125 -8.897 588 HE2 HIS 77 HE2 HIS 77 -23.109 -22.712 -6.753 589 H LYS 78 H LYS 78 -26.004 -25.222 -9.682 590 HA LYS 78 HA LYS 78 -26.781 -26.136 -12.342 591 HB2 LYS 78 HB3 LYS 78 -28.539 -26.952 -10.809 592 HB3 LYS 78 HB2 LYS 78 -28.781 -25.314 -10.220 593 HG2 LYS 78 HG3 LYS 78 -30.519 -25.803 -11.766 594 HG3 LYS 78 HG2 LYS 78 -29.426 -24.651 -12.536 595 HD2 LYS 78 HD3 LYS 78 -29.985 -26.310 -14.156 596 HD3 LYS 78 HD2 LYS 78 -28.314 -26.590 -13.664 597 HE2 LYS 78 HE3 LYS 78 -29.431 -28.704 -13.784 598 HE3 LYS 78 HE2 LYS 78 -29.132 -28.328 -12.087 599 HZ1 LYS 78 HZ1 LYS 78 -31.329 -29.155 -12.257 600 HZ2 LYS 78 HZ2 LYS 78 -31.700 -28.137 -13.558 601 HZ3 LYS 78 HZ3 LYS 78 -31.474 -27.483 -12.010 602 H VAL 79 H VAL 79 -25.817 -24.486 -13.403 603 HA VAL 79 HA VAL 79 -26.865 -21.802 -12.807 604 HB VAL 79 HB VAL 79 -24.640 -21.563 -12.114 605 HG11 VAL 79 HG11 VAL 79 -22.698 -22.374 -13.356 606 HG12 VAL 79 HG12 VAL 79 -23.778 -23.129 -14.531 607 HG13 VAL 79 HG13 VAL 79 -23.771 -23.681 -12.852 608 HG21 VAL 79 HG21 VAL 79 -23.547 -20.146 -13.790 609 HG22 VAL 79 HG22 VAL 79 -25.270 -19.792 -13.655 610 HG23 VAL 79 HG23 VAL 79 -24.669 -20.739 -15.016 611 H ASP 80 H ASP 80 -27.854 -20.855 -14.425 612 HA ASP 80 HA ASP 80 -28.774 -20.447 -16.455 613 HB2 ASP 80 HB3 ASP 80 -26.334 -20.170 -17.120 614 HB3 ASP 80 HB2 ASP 80 -26.384 -21.834 -17.692 615 H GLY 81 H GLY 81 -29.083 -23.031 -14.972 616 HA2 GLY 81 HA3 GLY 81 -30.467 -24.864 -15.281 617 HA3 GLY 81 HA2 GLY 81 -30.634 -24.414 -16.972 618 H ARG 82 H ARG 82 -27.419 -24.562 -15.957 619 HA ARG 82 HA ARG 82 -27.113 -27.184 -17.253 620 HB2 ARG 82 HB3 ARG 82 -26.130 -25.261 -18.461 621 HB3 ARG 82 HB2 ARG 82 -25.155 -24.886 -17.051 622 HG2 ARG 82 HG3 ARG 82 -23.922 -26.050 -18.845 623 HG3 ARG 82 HG2 ARG 82 -23.901 -26.903 -17.303 624 HD2 ARG 82 HD3 ARG 82 -25.378 -28.536 -18.048 625 HD3 ARG 82 HD2 ARG 82 -25.955 -27.540 -19.382 626 HE ARG 82 HE ARG 82 -24.033 -28.089 -20.609 627 HH11 ARG 82 HH11 ARG 82 -24.016 -29.620 -17.461 628 HH12 ARG 82 HH12 ARG 82 -22.884 -30.853 -17.925 629 HH21 ARG 82 HH21 ARG 82 -22.555 -29.716 -21.227 630 HH22 ARG 82 HH22 ARG 82 -22.054 -30.908 -20.064 631 H VAL 83 H VAL 83 -26.346 -28.803 -16.056 632 HA VAL 83 HA VAL 83 -25.557 -28.351 -13.321 633 HB VAL 83 HB VAL 83 -25.486 -30.919 -14.923 634 HG11 VAL 83 HG11 VAL 83 -25.399 -30.447 -11.945 635 HG12 VAL 83 HG12 VAL 83 -24.063 -31.003 -12.953 636 HG13 VAL 83 HG13 VAL 83 -25.486 -32.021 -12.733 637 HG21 VAL 83 HG21 VAL 83 -27.622 -29.839 -13.087 638 HG22 VAL 83 HG22 VAL 83 -27.612 -31.445 -13.816 639 HG23 VAL 83 HG23 VAL 83 -27.740 -30.014 -14.838 640 H VAL 84 H VAL 84 -23.605 -27.573 -12.917 641 HA VAL 84 HA VAL 84 -21.395 -28.259 -14.714 642 HB VAL 84 HB VAL 84 -20.204 -26.362 -13.745 643 HG11 VAL 84 HG11 VAL 84 -21.624 -25.970 -15.670 644 HG12 VAL 84 HG12 VAL 84 -21.646 -24.569 -14.598 645 HG13 VAL 84 HG13 VAL 84 -23.008 -25.688 -14.615 646 HG21 VAL 84 HG21 VAL 84 -21.108 -26.451 -11.480 647 HG22 VAL 84 HG22 VAL 84 -22.688 -25.947 -12.080 648 HG23 VAL 84 HG23 VAL 84 -21.316 -24.843 -12.175 649 H GLU 85 H GLU 85 -19.213 -28.315 -13.582 650 HA GLU 85 HA GLU 85 -19.427 -29.797 -11.047 651 HB2 GLU 85 HB3 GLU 85 -18.823 -31.310 -12.869 652 HB3 GLU 85 HB2 GLU 85 -17.492 -30.255 -13.325 653 HG2 GLU 85 HG3 GLU 85 -16.423 -30.687 -11.164 654 HG3 GLU 85 HG2 GLU 85 -17.746 -31.772 -10.739 655 HA PRO 86 HA PRO 86 -16.681 -26.389 -10.010 656 HB2 PRO 86 HB3 PRO 86 -17.551 -26.357 -7.361 657 HB3 PRO 86 HB2 PRO 86 -18.220 -25.401 -8.683 658 HG2 PRO 86 HG3 PRO 86 -19.487 -27.510 -7.256 659 HG3 PRO 86 HG2 PRO 86 -20.118 -26.616 -8.645 660 HD2 PRO 86 HD3 PRO 86 -18.843 -29.285 -8.538 661 HD3 PRO 86 HD2 PRO 86 -19.987 -28.623 -9.724 662 H LYS 87 H LYS 87 -14.648 -27.152 -9.938 663 HA LYS 87 HA LYS 87 -13.915 -28.909 -7.685 664 HB2 LYS 87 HB3 LYS 87 -12.619 -28.647 -10.404 665 HB3 LYS 87 HB2 LYS 87 -11.993 -29.629 -9.089 666 HG2 LYS 87 HG3 LYS 87 -14.045 -30.978 -9.142 667 HG3 LYS 87 HG2 LYS 87 -14.626 -30.012 -10.498 668 HD2 LYS 87 HD3 LYS 87 -12.085 -31.640 -10.485 669 HD3 LYS 87 HD2 LYS 87 -13.611 -32.144 -11.213 670 HE2 LYS 87 HE3 LYS 87 -13.524 -30.254 -12.744 671 HE3 LYS 87 HE2 LYS 87 -12.033 -29.692 -11.989 672 HZ1 LYS 87 HZ1 LYS 87 -10.930 -31.704 -12.714 673 HZ2 LYS 87 HZ2 LYS 87 -11.618 -30.912 -14.047 674 HZ3 LYS 87 HZ3 LYS 87 -12.368 -32.287 -13.397 675 H ARG 88 H ARG 88 -11.789 -28.570 -6.774 676 HA ARG 88 HA ARG 88 -11.137 -25.889 -6.234 677 HB2 ARG 88 HB3 ARG 88 -10.417 -28.349 -5.213 678 HB3 ARG 88 HB2 ARG 88 -8.922 -27.782 -5.941 679 HG2 ARG 88 HG3 ARG 88 -8.919 -27.103 -3.670 680 HG3 ARG 88 HG2 ARG 88 -9.193 -25.661 -4.651 681 HD2 ARG 88 HD3 ARG 88 -11.561 -25.751 -4.196 682 HD3 ARG 88 HD2 ARG 88 -11.370 -27.272 -3.328 683 HE ARG 88 HE ARG 88 -10.279 -24.686 -2.409 684 HH11 ARG 88 HH11 ARG 88 -11.603 -27.869 -1.777 685 HH12 ARG 88 HH12 ARG 88 -11.671 -27.644 -0.059 686 HH21 ARG 88 HH21 ARG 88 -10.361 -24.407 -0.127 687 HH22 ARG 88 HH22 ARG 88 -10.969 -25.689 0.879 688 H ALA 89 H ALA 89 -9.684 -24.491 -7.145 689 HA ALA 89 HA ALA 89 -8.838 -25.123 -9.822 690 HB1 ALA 89 HB1 ALA 89 -8.156 -22.800 -9.958 691 HB2 ALA 89 HB2 ALA 89 -8.404 -22.606 -8.224 692 HB3 ALA 89 HB3 ALA 89 -9.779 -22.929 -9.280 693 H VAL 90 H VAL 90 -6.704 -24.770 -10.608 694 HA VAL 90 HA VAL 90 -4.586 -25.424 -8.660 695 HB VAL 90 HB VAL 90 -4.694 -26.265 -11.572 696 HG11 VAL 90 HG11 VAL 90 -2.434 -26.109 -10.700 697 HG12 VAL 90 HG12 VAL 90 -2.878 -27.793 -10.975 698 HG13 VAL 90 HG13 VAL 90 -2.870 -27.139 -9.337 699 HG21 VAL 90 HG21 VAL 90 -5.189 -28.527 -10.759 700 HG22 VAL 90 HG22 VAL 90 -6.472 -27.383 -10.365 701 HG23 VAL 90 HG23 VAL 90 -5.333 -27.897 -9.119 702 H SER 91 H SER 91 -2.414 -24.596 -9.301 703 HA SER 91 HA SER 91 -2.450 -21.936 -10.213 704 HB2 SER 91 HB3 SER 91 0.122 -22.488 -10.468 705 HB3 SER 91 HB2 SER 91 -0.623 -22.394 -8.870 706 HG SER 91 HG SER 91 0.730 -24.369 -9.661 707 H ARG 92 H ARG 92 -2.080 -21.035 -12.186 708 HA ARG 92 HA ARG 92 -2.581 -22.692 -14.467 709 HB2 ARG 92 HB3 ARG 92 -2.331 -20.536 -15.742 710 HB3 ARG 92 HB2 ARG 92 -3.556 -20.514 -14.483 711 HG2 ARG 92 HG3 ARG 92 -1.224 -19.634 -13.240 712 HG3 ARG 92 HG2 ARG 92 -1.243 -18.843 -14.819 713 HD2 ARG 92 HD3 ARG 92 -2.394 -17.519 -13.090 714 HD3 ARG 92 HD2 ARG 92 -3.472 -17.993 -14.402 715 HE ARG 92 HE ARG 92 -4.312 -19.751 -12.898 716 HH11 ARG 92 HH11 ARG 92 -2.582 -17.061 -11.461 717 HH12 ARG 92 HH12 ARG 92 -3.441 -17.156 -9.945 718 HH21 ARG 92 HH21 ARG 92 -5.422 -19.887 -10.901 719 HH22 ARG 92 HH22 ARG 92 -5.062 -18.751 -9.632 720 H GLU 93 H GLU 93 0.194 -21.462 -12.879 721 HA GLU 93 HA GLU 93 2.064 -21.745 -15.002 722 HB2 GLU 93 HB3 GLU 93 2.679 -22.087 -12.070 723 HB3 GLU 93 HB2 GLU 93 3.751 -21.520 -13.336 724 HG2 GLU 93 HG3 GLU 93 3.270 -19.539 -12.344 725 HG3 GLU 93 HG2 GLU 93 1.947 -19.596 -13.508 726 H ASP 94 H ASP 94 0.750 -23.887 -12.573 727 HA ASP 94 HA ASP 94 2.649 -25.989 -13.177 728 HB2 ASP 94 HB3 ASP 94 0.460 -25.674 -11.153 729 HB3 ASP 94 HB2 ASP 94 1.222 -27.238 -11.428 730 H SER 95 H SER 95 -0.567 -25.093 -14.068 731 HA SER 95 HA SER 95 -1.344 -27.675 -15.000 732 HB2 SER 95 HB3 SER 95 -3.049 -26.349 -16.328 733 HB3 SER 95 HB2 SER 95 -3.092 -26.099 -14.583 734 HG SER 95 HG SER 95 -1.519 -24.407 -16.177 735 H GLN 96 H GLN 96 -1.058 -28.618 -16.966 736 HA GLN 96 HA GLN 96 -0.107 -29.100 -18.966 737 HB2 GLN 96 HB3 GLN 96 -0.028 -26.092 -19.227 738 HB3 GLN 96 HB2 GLN 96 0.482 -27.185 -20.506 739 HG2 GLN 96 HG3 GLN 96 -2.263 -27.214 -19.279 740 HG3 GLN 96 HG2 GLN 96 -1.840 -26.299 -20.728 741 HE21 GLN 96 HE21 GLN 96 -2.318 -29.476 -19.374 742 HE22 GLN 96 HE22 GLN 96 -2.376 -30.322 -20.886 743 H ARG 97 H ARG 97 1.429 -28.514 -16.431 744 HA ARG 97 HA ARG 97 4.097 -28.071 -17.582 745 HB2 ARG 97 HB3 ARG 97 3.220 -26.804 -15.497 746 HB3 ARG 97 HB2 ARG 97 3.452 -28.320 -14.646 747 HG2 ARG 97 HG3 ARG 97 5.622 -26.808 -16.090 748 HG3 ARG 97 HG2 ARG 97 5.315 -26.735 -14.357 749 HD2 ARG 97 HD3 ARG 97 5.634 -29.261 -14.360 750 HD3 ARG 97 HD2 ARG 97 6.282 -29.066 -15.987 751 HE ARG 97 HE ARG 97 7.490 -27.402 -13.941 752 HH11 ARG 97 HH11 ARG 97 7.679 -30.351 -15.839 753 HH12 ARG 97 HH12 ARG 97 9.349 -30.642 -15.439 754 HH21 ARG 97 HH21 ARG 97 9.668 -27.789 -13.422 755 HH22 ARG 97 HH22 ARG 97 10.483 -29.173 -14.090 756 H5' U 1 H5' U 1 -16.265 -29.401 -20.889 757 H5'' U 1 H5'' U 1 -17.576 -28.331 -21.408 758 H4' U 1 H4' U 1 -15.238 -29.365 -22.949 759 H3' U 1 H3' U 1 -15.667 -26.877 -21.838 760 H2' U 1 H2' U 1 -16.912 -25.645 -23.356 761 HO2' U 1 HO2' U 1 -15.731 -25.146 -25.028 762 H1' U 1 H1' U 1 -17.709 -27.427 -25.369 763 H3 U 1 H3 U 1 -21.923 -28.051 -23.979 764 H5 U 1 H5 U 1 -19.996 -26.480 -20.598 765 H6 U 1 H6 U 1 -17.922 -26.618 -21.807 766 HO5' U 1 HO5' U 1 -17.830 -30.330 -22.981 767 H5' U 2 H5' U 2 -14.245 -27.552 -20.683 768 H5'' U 2 H5'' U 2 -14.465 -25.881 -20.127 769 H4' U 2 H4' U 2 -12.374 -26.087 -18.826 770 H3' U 2 H3' U 2 -11.699 -28.321 -20.231 771 H2' U 2 H2' U 2 -13.398 -29.750 -19.294 772 HO2' U 2 HO2' U 2 -11.182 -30.456 -18.639 773 H1' U 2 H1' U 2 -12.881 -28.335 -16.608 774 H3 U 2 H3 U 2 -16.028 -30.467 -14.310 775 H5 U 2 H5 U 2 -17.459 -30.742 -18.247 776 H6 U 2 H6 U 2 -15.508 -29.523 -18.960 777 H5' A 3 H5' A 3 -9.758 -23.672 -19.735 778 H5'' A 3 H5'' A 3 -8.428 -24.800 -20.054 779 H4' A 3 H4' A 3 -8.489 -22.716 -18.208 780 H3' A 3 H3' A 3 -6.477 -24.050 -19.359 781 H2' A 3 H2' A 3 -6.897 -26.110 -18.045 782 HO2' A 3 HO2' A 3 -5.189 -25.921 -16.320 783 H1' A 3 H1' A 3 -7.028 -24.068 -15.732 784 H8 A 3 H8 A 3 -7.625 -27.747 -16.693 785 H61 A 3 H61 A 3 -8.696 -29.344 -12.215 786 H62 A 3 H62 A 3 -8.949 -28.530 -10.686 787 H2 A 3 H2 A 3 -8.419 -24.142 -11.445 788 H5' G 4 H5' G 4 -7.118 -21.434 -19.020 789 H5'' G 4 H5'' G 4 -6.616 -20.427 -20.391 790 H4' G 4 H4' G 4 -7.618 -18.837 -19.179 791 H3' G 4 H3' G 4 -4.879 -18.550 -18.888 792 H2' G 4 H2' G 4 -4.848 -19.392 -16.606 793 HO2' G 4 HO2' G 4 -5.772 -16.741 -16.131 794 H1' G 4 H1' G 4 -7.563 -17.943 -16.396 795 H8 G 4 H8 G 4 -8.142 -17.804 -13.970 796 H1 G 4 H1 G 4 -5.751 -23.638 -12.805 797 H21 G 4 H21 G 4 -4.656 -23.512 -16.086 798 H22 G 4 H22 G 4 -4.736 -24.413 -14.591 799 H5' G 5 H5' G 5 -7.050 -15.105 -15.645 800 H5'' G 5 H5'' G 5 -7.329 -16.285 -16.941 801 H4' G 5 H4' G 5 -7.951 -14.356 -18.418 802 H3' G 5 H3' G 5 -7.147 -12.704 -16.283 803 H2' G 5 H2' G 5 -9.104 -12.110 -15.207 804 HO2' G 5 HO2' G 5 -9.903 -11.873 -17.850 805 H1' G 5 H1' G 5 -11.001 -13.993 -15.999 806 H8 G 5 H8 G 5 -9.220 -16.601 -15.067 807 H1 G 5 H1 G 5 -9.073 -12.600 -10.058 808 H21 G 5 H21 G 5 -9.867 -10.163 -12.391 809 H22 G 5 H22 G 5 -9.516 -10.549 -10.719 810 H5' U 6 H5' U 6 -3.958 -12.544 -18.295 811 H5'' U 6 H5'' U 6 -4.758 -13.712 -17.225 812 H4' U 6 H4' U 6 -2.997 -11.409 -16.401 813 H3' U 6 H3' U 6 -1.947 -13.709 -17.259 814 H2' U 6 H2' U 6 -3.329 -15.145 -15.839 815 HO2' U 6 HO2' U 6 -1.025 -15.526 -15.460 816 H1' U 6 H1' U 6 -2.651 -13.189 -13.559 817 H3 U 6 H3 U 6 -4.898 -15.449 -10.472 818 H5 U 6 H5 U 6 -7.153 -16.181 -13.936 819 H6 U 6 H6 U 6 -5.587 -14.824 -15.156 820 H5' C 7 H5' C 7 1.468 -15.558 -15.211 821 H5'' C 7 H5'' C 7 2.062 -15.647 -16.880 822 H4' C 7 H4' C 7 0.711 -17.608 -15.434 823 H3' C 7 H3' C 7 1.770 -17.400 -18.199 824 HO3' C 7 HO3' C 7 1.778 -19.579 -16.464 825 H2' C 7 H2' C 7 0.311 -19.083 -19.042 826 HO2' C 7 HO2' C 7 -0.744 -20.514 -17.713 827 H1' C 7 H1' C 7 -2.006 -18.318 -17.733 828 H41 C 7 H41 C 7 -1.274 -13.888 -22.569 829 H42 C 7 H42 C 7 -2.324 -15.133 -23.207 830 H5 C 7 H5 C 7 -0.214 -14.048 -20.397 831 H6 C 7 H6 C 7 0.057 -15.432 -18.408 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -5.229 -3.642 20.060 2 H2 ALA 1 H2 ALA 1 -6.745 -3.400 19.336 3 H3 ALA 1 H3 ALA 1 -6.054 -2.177 20.288 4 HA ALA 1 HA ALA 1 -5.849 -1.649 17.958 5 HB1 ALA 1 HB1 ALA 1 -3.208 -2.384 19.215 6 HB2 ALA 1 HB2 ALA 1 -4.114 -0.901 19.517 7 HB3 ALA 1 HB3 ALA 1 -3.456 -1.220 17.912 8 H SER 2 H SER 2 -4.557 -4.802 18.837 9 HA SER 2 HA SER 2 -3.662 -5.487 16.226 10 HB2 SER 2 HB3 SER 2 -4.403 -7.280 18.551 11 HB3 SER 2 HB2 SER 2 -3.494 -7.770 17.121 12 HG SER 2 HG SER 2 -2.082 -7.287 18.825 13 H LYS 3 H LYS 3 -4.642 -6.603 14.622 14 HA LYS 3 HA LYS 3 -7.292 -7.710 14.943 15 HB2 LYS 3 HB3 LYS 3 -8.058 -6.299 12.885 16 HB3 LYS 3 HB2 LYS 3 -8.137 -5.599 14.493 17 HG2 LYS 3 HG3 LYS 3 -7.293 -3.948 13.004 18 HG3 LYS 3 HG2 LYS 3 -5.965 -4.468 14.040 19 HD2 LYS 3 HD3 LYS 3 -5.102 -5.876 12.261 20 HD3 LYS 3 HD2 LYS 3 -6.466 -5.441 11.229 21 HE2 LYS 3 HE3 LYS 3 -5.746 -3.119 11.226 22 HE3 LYS 3 HE2 LYS 3 -4.414 -3.515 12.312 23 HZ1 LYS 3 HZ1 LYS 3 -4.755 -4.660 9.593 24 HZ2 LYS 3 HZ2 LYS 3 -3.423 -4.867 10.622 25 HZ3 LYS 3 HZ3 LYS 3 -3.756 -3.342 9.958 26 H SER 4 H SER 4 -7.868 -7.776 12.118 27 HA SER 4 HA SER 4 -6.394 -10.023 11.305 28 HB2 SER 4 HB3 SER 4 -8.659 -9.402 10.457 29 HB3 SER 4 HB2 SER 4 -7.924 -8.085 9.547 30 HG SER 4 HG SER 4 -8.313 -10.399 8.612 31 H GLU 5 H GLU 5 -4.297 -10.058 10.838 32 HA GLU 5 HA GLU 5 -2.998 -7.613 9.898 33 HB2 GLU 5 HB3 GLU 5 -1.794 -10.211 10.871 34 HB3 GLU 5 HB2 GLU 5 -0.906 -8.740 10.498 35 HG2 GLU 5 HG3 GLU 5 -1.928 -7.582 12.321 36 HG3 GLU 5 HG2 GLU 5 -3.016 -8.935 12.629 37 H SER 6 H SER 6 -2.726 -11.097 9.192 38 HA SER 6 HA SER 6 -2.570 -10.476 6.347 39 HB2 SER 6 HB3 SER 6 -0.233 -10.422 7.169 40 HB3 SER 6 HB2 SER 6 -0.426 -12.063 7.785 41 HG SER 6 HG SER 6 -0.572 -11.219 5.072 42 HA PRO 7 HA PRO 7 -5.163 -14.199 6.956 43 HB2 PRO 7 HB3 PRO 7 -6.220 -13.316 4.352 44 HB3 PRO 7 HB2 PRO 7 -7.081 -13.641 5.860 45 HG2 PRO 7 HG3 PRO 7 -6.766 -11.141 4.924 46 HG3 PRO 7 HG2 PRO 7 -6.762 -11.500 6.661 47 HD2 PRO 7 HD3 PRO 7 -4.448 -10.983 4.828 48 HD3 PRO 7 HD2 PRO 7 -4.718 -10.416 6.491 49 H LYS 8 H LYS 8 -5.043 -16.185 5.907 50 HA LYS 8 HA LYS 8 -2.872 -16.380 3.964 51 HB2 LYS 8 HB3 LYS 8 -4.283 -18.505 5.572 52 HB3 LYS 8 HB2 LYS 8 -2.986 -18.815 4.424 53 HG2 LYS 8 HG3 LYS 8 -1.496 -17.387 5.758 54 HG3 LYS 8 HG2 LYS 8 -2.796 -17.162 6.930 55 HD2 LYS 8 HD3 LYS 8 -1.340 -18.871 7.742 56 HD3 LYS 8 HD2 LYS 8 -2.853 -19.623 7.239 57 HE2 LYS 8 HE3 LYS 8 -0.965 -20.958 6.506 58 HE3 LYS 8 HE2 LYS 8 -1.813 -20.278 5.118 59 HZ1 LYS 8 HZ1 LYS 8 -0.118 -18.638 4.854 60 HZ2 LYS 8 HZ2 LYS 8 0.648 -20.145 4.982 61 HZ3 LYS 8 HZ3 LYS 8 0.636 -19.086 6.303 62 H GLU 9 H GLU 9 -3.903 -15.676 2.117 63 HA GLU 9 HA GLU 9 -6.182 -17.311 1.229 64 HB2 GLU 9 HB3 GLU 9 -6.870 -15.026 1.689 65 HB3 GLU 9 HB2 GLU 9 -5.603 -14.406 0.639 66 HG2 GLU 9 HG3 GLU 9 -6.683 -15.508 -1.277 67 HG3 GLU 9 HG2 GLU 9 -7.974 -16.054 -0.208 68 HA PRO 10 HA PRO 10 -3.282 -18.029 -2.230 69 HB2 PRO 10 HB3 PRO 10 -4.156 -20.789 -2.025 70 HB3 PRO 10 HB2 PRO 10 -2.519 -20.147 -1.889 71 HG2 PRO 10 HG3 PRO 10 -3.876 -21.233 0.201 72 HG3 PRO 10 HG2 PRO 10 -2.637 -19.981 0.393 73 HD2 PRO 10 HD3 PRO 10 -5.625 -19.709 0.389 74 HD3 PRO 10 HD2 PRO 10 -4.424 -18.921 1.439 75 H GLU 11 H GLU 11 -4.372 -17.381 -3.995 76 HA GLU 11 HA GLU 11 -7.167 -17.603 -4.266 77 HB2 GLU 11 HB3 GLU 11 -5.742 -15.859 -5.358 78 HB3 GLU 11 HB2 GLU 11 -5.159 -17.092 -6.469 79 HG2 GLU 11 HG3 GLU 11 -7.427 -17.430 -7.298 80 HG3 GLU 11 HG2 GLU 11 -8.022 -16.209 -6.175 81 H GLN 12 H GLN 12 -4.564 -19.697 -5.111 82 HA GLN 12 HA GLN 12 -5.754 -21.263 -7.094 83 HB2 GLN 12 HB3 GLN 12 -3.443 -21.572 -6.719 84 HB3 GLN 12 HB2 GLN 12 -3.672 -21.831 -4.996 85 HG2 GLN 12 HG3 GLN 12 -4.730 -23.978 -5.464 86 HG3 GLN 12 HG2 GLN 12 -4.506 -23.717 -7.187 87 HE21 GLN 12 HE21 GLN 12 -3.273 -25.618 -7.314 88 HE22 GLN 12 HE22 GLN 12 -1.630 -25.658 -6.775 89 H LEU 13 H LEU 13 -5.809 -21.664 -3.551 90 HA LEU 13 HA LEU 13 -7.487 -24.003 -3.911 91 HB2 LEU 13 HB3 LEU 13 -7.108 -24.463 -1.569 92 HB3 LEU 13 HB2 LEU 13 -5.600 -24.172 -2.406 93 HG LEU 13 HG LEU 13 -5.680 -21.818 -1.427 94 HD11 LEU 13 HD11 LEU 13 -6.935 -21.559 0.642 95 HD12 LEU 13 HD12 LEU 13 -7.693 -23.131 0.388 96 HD13 LEU 13 HD13 LEU 13 -8.017 -21.806 -0.729 97 HD21 LEU 13 HD21 LEU 13 -5.340 -24.281 0.269 98 HD22 LEU 13 HD22 LEU 13 -4.822 -22.673 0.766 99 HD23 LEU 13 HD23 LEU 13 -4.102 -23.432 -0.656 100 H ARG 14 H ARG 14 -7.908 -20.703 -3.333 101 HA ARG 14 HA ARG 14 -10.504 -21.127 -2.060 102 HB2 ARG 14 HB3 ARG 14 -8.908 -18.634 -2.617 103 HB3 ARG 14 HB2 ARG 14 -10.585 -18.576 -2.091 104 HG2 ARG 14 HG3 ARG 14 -9.883 -19.952 -0.099 105 HG3 ARG 14 HG2 ARG 14 -8.216 -19.658 -0.597 106 HD2 ARG 14 HD3 ARG 14 -8.550 -17.265 -0.406 107 HD3 ARG 14 HD2 ARG 14 -10.249 -17.511 -0.006 108 HE ARG 14 HE ARG 14 -8.507 -18.880 1.804 109 HH11 ARG 14 HH11 ARG 14 -9.799 -15.703 1.043 110 HH12 ARG 14 HH12 ARG 14 -9.725 -15.145 2.683 111 HH21 ARG 14 HH21 ARG 14 -8.411 -18.126 3.975 112 HH22 ARG 14 HH22 ARG 14 -8.951 -16.509 4.343 113 H LYS 15 H LYS 15 -9.250 -20.990 -5.152 114 HA LYS 15 HA LYS 15 -11.603 -19.716 -6.312 115 HB2 LYS 15 HB3 LYS 15 -9.295 -19.291 -7.231 116 HB3 LYS 15 HB2 LYS 15 -9.269 -20.966 -7.764 117 HG2 LYS 15 HG3 LYS 15 -11.334 -20.481 -9.096 118 HG3 LYS 15 HG2 LYS 15 -11.113 -18.779 -8.690 119 HD2 LYS 15 HD3 LYS 15 -9.179 -20.537 -10.196 120 HD3 LYS 15 HD2 LYS 15 -10.176 -19.253 -10.879 121 HE2 LYS 15 HE3 LYS 15 -8.004 -18.890 -8.824 122 HE3 LYS 15 HE2 LYS 15 -7.851 -18.554 -10.545 123 HZ1 LYS 15 HZ1 LYS 15 -8.267 -16.540 -9.302 124 HZ2 LYS 15 HZ2 LYS 15 -9.698 -17.186 -8.662 125 HZ3 LYS 15 HZ3 LYS 15 -9.581 -16.866 -10.319 126 H LEU 16 H LEU 16 -13.231 -20.770 -7.230 127 HA LEU 16 HA LEU 16 -13.166 -23.686 -7.253 128 HB2 LEU 16 HB3 LEU 16 -15.214 -21.627 -7.007 129 HB3 LEU 16 HB2 LEU 16 -15.660 -22.873 -8.151 130 HG LEU 16 HG LEU 16 -14.991 -23.218 -5.230 131 HD11 LEU 16 HD11 LEU 16 -17.482 -23.670 -6.852 132 HD12 LEU 16 HD12 LEU 16 -17.230 -22.479 -5.577 133 HD13 LEU 16 HD13 LEU 16 -17.273 -24.193 -5.183 134 HD21 LEU 16 HD21 LEU 16 -15.448 -25.618 -5.597 135 HD22 LEU 16 HD22 LEU 16 -13.983 -25.059 -6.403 136 HD23 LEU 16 HD23 LEU 16 -15.459 -25.320 -7.335 137 H PHE 17 H PHE 17 -12.881 -24.805 -9.011 138 HA PHE 17 HA PHE 17 -12.812 -23.519 -11.620 139 HB2 PHE 17 HB3 PHE 17 -10.999 -25.043 -11.057 140 HB3 PHE 17 HB2 PHE 17 -12.145 -26.327 -10.696 141 HD1 PHE 17 HD1 PHE 17 -11.876 -28.013 -12.213 142 HD2 PHE 17 HD2 PHE 17 -11.819 -23.991 -13.587 143 HE1 PHE 17 HE1 PHE 17 -11.695 -28.811 -14.530 144 HE2 PHE 17 HE2 PHE 17 -11.639 -24.779 -15.907 145 HZ PHE 17 HZ PHE 17 -11.570 -27.190 -16.384 146 H ILE 18 H ILE 18 -14.627 -23.384 -12.760 147 HA ILE 18 HA ILE 18 -16.792 -25.287 -12.167 148 HB ILE 18 HB ILE 18 -17.093 -22.637 -13.575 149 HG12 ILE 18 HG12 ILE 18 -16.161 -22.132 -11.406 150 HG13 ILE 18 HG13 ILE 18 -17.879 -21.748 -11.381 151 HG21 ILE 18 HG21 ILE 18 -19.059 -24.407 -12.129 152 HG22 ILE 18 HG22 ILE 18 -18.913 -24.221 -13.878 153 HG23 ILE 18 HG23 ILE 18 -19.431 -22.857 -12.884 154 HD11 ILE 18 HD11 ILE 18 -18.315 -23.857 -10.214 155 HD12 ILE 18 HD12 ILE 18 -17.208 -22.809 -9.322 156 HD13 ILE 18 HD13 ILE 18 -16.583 -24.199 -10.214 157 H GLY 19 H GLY 19 -16.366 -26.936 -13.593 158 HA2 GLY 19 HA3 GLY 19 -16.095 -26.165 -16.424 159 HA3 GLY 19 HA2 GLY 19 -15.515 -27.675 -15.738 160 H GLY 20 H GLY 20 -17.473 -26.909 -17.946 161 HA2 GLY 20 HA3 GLY 20 -19.052 -28.434 -18.829 162 HA3 GLY 20 HA2 GLY 20 -19.410 -28.971 -17.195 163 H LEU 21 H LEU 21 -19.355 -25.707 -18.603 164 HA LEU 21 HA LEU 21 -22.212 -25.516 -17.941 165 HB2 LEU 21 HB3 LEU 21 -21.780 -23.020 -17.740 166 HB3 LEU 21 HB2 LEU 21 -21.201 -24.043 -16.444 167 HG LEU 21 HG LEU 21 -18.946 -23.950 -17.817 168 HD11 LEU 21 HD11 LEU 21 -18.578 -21.890 -18.950 169 HD12 LEU 21 HD12 LEU 21 -20.178 -21.300 -18.519 170 HD13 LEU 21 HD13 LEU 21 -20.011 -22.633 -19.661 171 HD21 LEU 21 HD21 LEU 21 -18.288 -22.034 -16.434 172 HD22 LEU 21 HD22 LEU 21 -19.224 -23.223 -15.527 173 HD23 LEU 21 HD23 LEU 21 -19.987 -21.728 -16.069 174 H SER 22 H SER 22 -23.241 -23.612 -19.254 175 HA SER 22 HA SER 22 -22.998 -24.560 -21.956 176 HB2 SER 22 HB3 SER 22 -24.845 -22.418 -20.895 177 HB3 SER 22 HB2 SER 22 -25.037 -23.358 -22.376 178 HG SER 22 HG SER 22 -26.114 -23.937 -20.156 179 H PHE 23 H PHE 23 -23.119 -22.931 -23.793 180 HA PHE 23 HA PHE 23 -20.901 -21.107 -23.547 181 HB2 PHE 23 HB3 PHE 23 -22.760 -21.696 -25.859 182 HB3 PHE 23 HB2 PHE 23 -21.356 -20.636 -25.958 183 HD1 PHE 23 HD1 PHE 23 -22.513 -24.079 -25.712 184 HD2 PHE 23 HD2 PHE 23 -19.112 -21.536 -25.881 185 HE1 PHE 23 HE1 PHE 23 -21.086 -26.028 -26.188 186 HE2 PHE 23 HE2 PHE 23 -17.675 -23.475 -26.359 187 HZ PHE 23 HZ PHE 23 -18.662 -25.726 -26.509 188 H GLU 24 H GLU 24 -24.101 -20.885 -22.800 189 HA GLU 24 HA GLU 24 -24.344 -18.052 -23.457 190 HB2 GLU 24 HB3 GLU 24 -26.360 -19.778 -22.024 191 HB3 GLU 24 HB2 GLU 24 -26.643 -18.264 -22.878 192 HG2 GLU 24 HG3 GLU 24 -26.099 -19.372 -24.997 193 HG3 GLU 24 HG2 GLU 24 -25.853 -20.884 -24.130 194 H THR 25 H THR 25 -23.160 -20.014 -21.070 195 HA THR 25 HA THR 25 -23.804 -18.430 -18.771 196 HB THR 25 HB THR 25 -21.567 -20.432 -19.110 197 HG1 THR 25 HG1 THR 25 -24.256 -20.801 -19.108 198 HG21 THR 25 HG21 THR 25 -23.042 -19.456 -16.659 199 HG22 THR 25 HG22 THR 25 -21.383 -19.049 -17.104 200 HG23 THR 25 HG23 THR 25 -21.802 -20.709 -16.678 201 H THR 26 H THR 26 -23.103 -16.347 -18.928 202 HA THR 26 HA THR 26 -20.253 -15.927 -19.493 203 HB THR 26 HB THR 26 -21.744 -14.627 -20.946 204 HG1 THR 26 HG1 THR 26 -19.951 -13.461 -20.678 205 HG21 THR 26 HG21 THR 26 -23.663 -14.411 -19.474 206 HG22 THR 26 HG22 THR 26 -23.123 -12.821 -20.017 207 HG23 THR 26 HG23 THR 26 -22.734 -13.378 -18.388 208 H ASP 27 H ASP 27 -19.421 -13.933 -18.246 209 HA ASP 27 HA ASP 27 -18.900 -14.802 -15.703 210 HB2 ASP 27 HB3 ASP 27 -18.822 -11.930 -16.637 211 HB3 ASP 27 HB2 ASP 27 -17.912 -12.630 -15.309 212 H GLU 28 H GLU 28 -21.193 -12.241 -16.632 213 HA GLU 28 HA GLU 28 -22.038 -11.634 -14.024 214 HB2 GLU 28 HB3 GLU 28 -23.891 -10.469 -15.050 215 HB3 GLU 28 HB2 GLU 28 -22.433 -10.190 -15.988 216 HG2 GLU 28 HG3 GLU 28 -23.142 -11.739 -17.671 217 HG3 GLU 28 HG2 GLU 28 -24.532 -12.220 -16.701 218 H SER 29 H SER 29 -23.156 -14.045 -16.338 219 HA SER 29 HA SER 29 -25.528 -14.726 -14.909 220 HB2 SER 29 HB3 SER 29 -24.048 -16.547 -16.808 221 HB3 SER 29 HB2 SER 29 -25.783 -16.467 -16.498 222 HG SER 29 HG SER 29 -25.873 -14.511 -17.582 223 H LEU 30 H LEU 30 -22.214 -15.836 -14.946 224 HA LEU 30 HA LEU 30 -22.754 -18.253 -13.497 225 HB2 LEU 30 HB3 LEU 30 -20.839 -17.746 -15.167 226 HB3 LEU 30 HB2 LEU 30 -20.041 -16.995 -13.802 227 HG LEU 30 HG LEU 30 -20.951 -19.877 -13.799 228 HD11 LEU 30 HD11 LEU 30 -18.620 -20.457 -14.227 229 HD12 LEU 30 HD12 LEU 30 -18.233 -18.750 -14.444 230 HD13 LEU 30 HD13 LEU 30 -19.324 -19.559 -15.570 231 HD21 LEU 30 HD21 LEU 30 -19.012 -18.368 -12.048 232 HD22 LEU 30 HD22 LEU 30 -19.363 -20.094 -11.955 233 HD23 LEU 30 HD23 LEU 30 -20.625 -18.919 -11.591 234 H ARG 31 H ARG 31 -21.183 -15.143 -12.705 235 HA ARG 31 HA ARG 31 -20.532 -15.847 -10.069 236 HB2 ARG 31 HB3 ARG 31 -19.767 -13.714 -9.806 237 HB3 ARG 31 HB2 ARG 31 -19.866 -13.743 -11.559 238 HG2 ARG 31 HG3 ARG 31 -22.010 -12.599 -11.474 239 HG3 ARG 31 HG2 ARG 31 -21.958 -12.633 -9.706 240 HD2 ARG 31 HD3 ARG 31 -19.734 -11.363 -11.253 241 HD3 ARG 31 HD2 ARG 31 -21.236 -10.481 -10.974 242 HE ARG 31 HE ARG 31 -20.636 -11.306 -8.506 243 HH11 ARG 31 HH11 ARG 31 -18.672 -9.737 -10.949 244 HH12 ARG 31 HH12 ARG 31 -17.635 -8.960 -9.785 245 HH21 ARG 31 HH21 ARG 31 -19.327 -10.262 -6.995 246 HH22 ARG 31 HH22 ARG 31 -18.022 -9.239 -7.526 247 H SER 32 H SER 32 -23.458 -14.380 -11.437 248 HA SER 32 HA SER 32 -24.611 -13.647 -8.969 249 HB2 SER 32 HB3 SER 32 -25.956 -14.216 -11.619 250 HB3 SER 32 HB2 SER 32 -26.694 -13.376 -10.254 251 HG SER 32 HG SER 32 -24.919 -12.459 -12.138 252 H HIS 33 H HIS 33 -24.455 -16.674 -10.653 253 HA HIS 33 HA HIS 33 -26.490 -17.893 -9.026 254 HB2 HIS 33 HB3 HIS 33 -24.626 -18.841 -11.151 255 HB3 HIS 33 HB2 HIS 33 -25.270 -20.034 -10.026 256 HD2 HIS 33 HD2 HIS 33 -28.036 -20.447 -10.157 257 HE1 HIS 33 HE1 HIS 33 -28.491 -18.337 -13.792 258 HE2 HIS 33 HE2 HIS 33 -29.653 -19.799 -12.078 259 H PHE 34 H PHE 34 -22.941 -17.862 -9.114 260 HA PHE 34 HA PHE 34 -22.820 -19.731 -6.933 261 HB2 PHE 34 HB3 PHE 34 -20.768 -18.295 -8.570 262 HB3 PHE 34 HB2 PHE 34 -20.297 -19.085 -7.068 263 HD1 PHE 34 HD1 PHE 34 -19.845 -21.353 -7.029 264 HD2 PHE 34 HD2 PHE 34 -22.018 -19.722 -10.300 265 HE1 PHE 34 HE1 PHE 34 -19.714 -23.517 -8.189 266 HE2 PHE 34 HE2 PHE 34 -21.888 -21.883 -11.470 267 HZ PHE 34 HZ PHE 34 -20.736 -23.784 -10.414 268 H GLU 35 H GLU 35 -23.154 -16.351 -7.135 269 HA GLU 35 HA GLU 35 -21.892 -15.772 -4.619 270 HB2 GLU 35 HB3 GLU 35 -23.713 -14.152 -6.386 271 HB3 GLU 35 HB2 GLU 35 -23.119 -13.561 -4.839 272 HG2 GLU 35 HG3 GLU 35 -20.806 -13.888 -5.661 273 HG3 GLU 35 HG2 GLU 35 -21.466 -14.334 -7.232 274 H GLN 36 H GLN 36 -24.301 -17.705 -5.063 275 HA GLN 36 HA GLN 36 -26.158 -16.666 -3.080 276 HB2 GLN 36 HB3 GLN 36 -26.056 -19.213 -4.686 277 HB3 GLN 36 HB2 GLN 36 -27.247 -18.937 -3.422 278 HG2 GLN 36 HG3 GLN 36 -28.164 -17.073 -4.615 279 HG3 GLN 36 HG2 GLN 36 -26.871 -17.147 -5.811 280 HE21 GLN 36 HE21 GLN 36 -26.853 -18.822 -7.303 281 HE22 GLN 36 HE22 GLN 36 -28.274 -19.733 -7.675 282 H TRP 37 H TRP 37 -23.569 -18.988 -3.375 283 HA TRP 37 HA TRP 37 -24.028 -19.884 -0.623 284 HB2 TRP 37 HB3 TRP 37 -22.326 -21.095 -2.817 285 HB3 TRP 37 HB2 TRP 37 -22.469 -21.738 -1.185 286 HD1 TRP 37 HD1 TRP 37 -24.630 -23.117 -0.596 287 HE1 TRP 37 HE1 TRP 37 -26.588 -24.032 -1.981 288 HE3 TRP 37 HE3 TRP 37 -23.814 -20.551 -4.940 289 HZ2 TRP 37 HZ2 TRP 37 -27.645 -23.718 -4.568 290 HZ3 TRP 37 HZ3 TRP 37 -25.351 -20.925 -6.825 291 HH2 TRP 37 HH2 TRP 37 -27.225 -22.475 -6.642 292 H GLY 38 H GLY 38 -22.543 -17.428 -1.941 293 HA2 GLY 38 HA3 GLY 38 -20.948 -16.760 0.165 294 HA3 GLY 38 HA2 GLY 38 -19.888 -17.706 -0.865 295 H THR 39 H THR 39 -18.750 -15.575 -0.724 296 HA THR 39 HA THR 39 -19.785 -13.629 -2.679 297 HB THR 39 HB THR 39 -17.756 -13.374 -0.452 298 HG1 THR 39 HG1 THR 39 -20.057 -13.240 0.038 299 HG21 THR 39 HG21 THR 39 -18.515 -11.324 -2.535 300 HG22 THR 39 HG22 THR 39 -16.935 -12.083 -2.331 301 HG23 THR 39 HG23 THR 39 -17.560 -10.998 -1.089 302 H LEU 40 H LEU 40 -18.837 -13.602 -4.659 303 HA LEU 40 HA LEU 40 -16.289 -14.983 -5.004 304 HB2 LEU 40 HB3 LEU 40 -18.007 -13.733 -7.143 305 HB3 LEU 40 HB2 LEU 40 -16.737 -14.925 -7.355 306 HG LEU 40 HG LEU 40 -19.301 -15.451 -5.891 307 HD11 LEU 40 HD11 LEU 40 -19.903 -16.783 -7.878 308 HD12 LEU 40 HD12 LEU 40 -18.519 -16.074 -8.711 309 HD13 LEU 40 HD13 LEU 40 -19.842 -15.045 -8.171 310 HD21 LEU 40 HD21 LEU 40 -17.657 -16.913 -5.093 311 HD22 LEU 40 HD22 LEU 40 -16.982 -17.151 -6.699 312 HD23 LEU 40 HD23 LEU 40 -18.560 -17.831 -6.299 313 H THR 41 H THR 41 -14.566 -13.775 -4.581 314 HA THR 41 HA THR 41 -14.581 -10.911 -5.005 315 HB THR 41 HB THR 41 -12.319 -10.960 -4.064 316 HG1 THR 41 HG1 THR 41 -11.299 -12.767 -4.621 317 HG21 THR 41 HG21 THR 41 -14.193 -12.767 -2.523 318 HG22 THR 41 HG22 THR 41 -14.226 -11.003 -2.508 319 HG23 THR 41 HG23 THR 41 -12.834 -11.865 -1.853 320 H ASP 42 H ASP 42 -13.780 -13.724 -6.709 321 HA ASP 42 HA ASP 42 -12.634 -12.186 -8.904 322 HB2 ASP 42 HB3 ASP 42 -10.704 -12.953 -7.600 323 HB3 ASP 42 HB2 ASP 42 -11.286 -14.603 -7.683 324 H CYS 43 H CYS 43 -14.362 -12.630 -10.215 325 HA CYS 43 HA CYS 43 -14.838 -15.480 -10.755 326 HB2 CYS 43 HB3 CYS 43 -17.185 -14.725 -11.413 327 HB3 CYS 43 HB2 CYS 43 -16.806 -14.725 -9.694 328 HG CYS 43 HG CYS 43 -17.191 -12.059 -11.776 329 H VAL 44 H VAL 44 -15.061 -16.106 -12.894 330 HA VAL 44 HA VAL 44 -15.146 -14.222 -15.043 331 HB VAL 44 HB VAL 44 -12.779 -13.968 -14.326 332 HG11 VAL 44 HG11 VAL 44 -11.196 -15.801 -14.718 333 HG12 VAL 44 HG12 VAL 44 -12.546 -16.874 -15.091 334 HG13 VAL 44 HG13 VAL 44 -12.378 -16.198 -13.470 335 HG21 VAL 44 HG21 VAL 44 -11.771 -14.276 -16.548 336 HG22 VAL 44 HG22 VAL 44 -13.370 -13.537 -16.636 337 HG23 VAL 44 HG23 VAL 44 -13.165 -15.243 -17.033 338 H VAL 45 H VAL 45 -15.539 -15.222 -17.022 339 HA VAL 45 HA VAL 45 -15.676 -18.167 -16.945 340 HB VAL 45 HB VAL 45 -17.287 -16.253 -18.649 341 HG11 VAL 45 HG11 VAL 45 -16.797 -18.313 -19.861 342 HG12 VAL 45 HG12 VAL 45 -18.501 -18.239 -19.412 343 HG13 VAL 45 HG13 VAL 45 -17.393 -19.265 -18.501 344 HG21 VAL 45 HG21 VAL 45 -18.106 -18.044 -16.370 345 HG22 VAL 45 HG22 VAL 45 -19.199 -17.078 -17.362 346 HG23 VAL 45 HG23 VAL 45 -18.008 -16.283 -16.331 347 H MET 46 H MET 46 -14.666 -19.326 -18.538 348 HA MET 46 HA MET 46 -12.765 -17.869 -20.161 349 HB2 MET 46 HB3 MET 46 -13.267 -20.835 -19.883 350 HB3 MET 46 HB2 MET 46 -12.009 -20.127 -20.886 351 HG2 MET 46 HG3 MET 46 -12.266 -19.894 -17.903 352 HG3 MET 46 HG2 MET 46 -11.086 -20.858 -18.790 353 HE1 MET 46 HE1 MET 46 -9.004 -17.967 -17.165 354 HE2 MET 46 HE2 MET 46 -9.295 -19.713 -17.229 355 HE3 MET 46 HE3 MET 46 -10.489 -18.639 -16.489 356 H ARG 47 H ARG 47 -12.931 -17.473 -22.248 357 HA ARG 47 HA ARG 47 -15.435 -18.323 -23.528 358 HB2 ARG 47 HB3 ARG 47 -14.139 -15.592 -23.552 359 HB3 ARG 47 HB2 ARG 47 -15.569 -16.038 -24.478 360 HG2 ARG 47 HG3 ARG 47 -16.919 -16.123 -22.630 361 HG3 ARG 47 HG2 ARG 47 -15.582 -16.477 -21.535 362 HD2 ARG 47 HD3 ARG 47 -16.127 -13.827 -22.866 363 HD3 ARG 47 HD2 ARG 47 -16.468 -14.230 -21.183 364 HE ARG 47 HE ARG 47 -13.708 -14.557 -22.021 365 HH11 ARG 47 HH11 ARG 47 -16.095 -12.517 -20.479 366 HH12 ARG 47 HH12 ARG 47 -14.916 -11.523 -19.681 367 HH21 ARG 47 HH21 ARG 47 -12.152 -13.231 -21.007 368 HH22 ARG 47 HH22 ARG 47 -12.672 -11.910 -19.997 369 H ASP 48 H ASP 48 -15.442 -18.106 -25.869 370 HA ASP 48 HA ASP 48 -13.326 -19.497 -27.051 371 HB2 ASP 48 HB3 ASP 48 -15.745 -19.316 -27.851 372 HB3 ASP 48 HB2 ASP 48 -15.290 -17.757 -28.524 373 HA PRO 49 HA PRO 49 -10.404 -16.250 -27.863 374 HB2 PRO 49 HB3 PRO 49 -9.031 -17.443 -29.887 375 HB3 PRO 49 HB2 PRO 49 -8.837 -17.891 -28.188 376 HG2 PRO 49 HG3 PRO 49 -10.487 -19.207 -30.316 377 HG3 PRO 49 HG2 PRO 49 -9.425 -19.952 -29.103 378 HD2 PRO 49 HD3 PRO 49 -12.096 -19.865 -28.794 379 HD3 PRO 49 HD2 PRO 49 -10.987 -19.715 -27.411 380 H ASN 50 H ASN 50 -12.800 -17.284 -30.022 381 HA ASN 50 HA ASN 50 -12.134 -15.147 -31.945 382 HB2 ASN 50 HB3 ASN 50 -14.047 -17.400 -32.526 383 HB3 ASN 50 HB2 ASN 50 -13.178 -16.375 -33.662 384 HD21 ASN 50 HD21 ASN 50 -12.971 -19.067 -31.478 385 HD22 ASN 50 HD22 ASN 50 -11.486 -19.721 -32.114 386 H THR 51 H THR 51 -14.954 -16.925 -30.673 387 HA THR 51 HA THR 51 -16.767 -14.827 -31.370 388 HB THR 51 HB THR 51 -18.497 -16.178 -30.452 389 HG1 THR 51 HG1 THR 51 -17.898 -18.055 -29.121 390 HG21 THR 51 HG21 THR 51 -18.090 -18.383 -31.428 391 HG22 THR 51 HG22 THR 51 -16.359 -18.044 -31.491 392 HG23 THR 51 HG23 THR 51 -17.480 -17.109 -32.484 393 H LYS 52 H LYS 52 -14.991 -15.740 -28.537 394 HA LYS 52 HA LYS 52 -14.727 -14.866 -26.472 395 HB2 LYS 52 HB3 LYS 52 -16.030 -12.415 -27.676 396 HB3 LYS 52 HB2 LYS 52 -15.216 -12.467 -26.120 397 HG2 LYS 52 HG3 LYS 52 -13.962 -12.893 -28.825 398 HG3 LYS 52 HG2 LYS 52 -13.760 -11.494 -27.771 399 HD2 LYS 52 HD3 LYS 52 -12.886 -14.318 -27.157 400 HD3 LYS 52 HD2 LYS 52 -11.830 -12.996 -27.654 401 HE2 LYS 52 HE3 LYS 52 -13.498 -13.054 -25.139 402 HE3 LYS 52 HE2 LYS 52 -11.771 -13.394 -25.224 403 HZ1 LYS 52 HZ1 LYS 52 -12.109 -11.145 -24.519 404 HZ2 LYS 52 HZ2 LYS 52 -13.102 -10.812 -25.853 405 HZ3 LYS 52 HZ3 LYS 52 -11.450 -11.119 -26.081 406 H ARG 53 H ARG 53 -17.241 -16.267 -27.298 407 HA ARG 53 HA ARG 53 -19.239 -15.020 -25.579 408 HB2 ARG 53 HB3 ARG 53 -19.407 -17.579 -27.178 409 HB3 ARG 53 HB2 ARG 53 -20.740 -16.808 -26.331 410 HG2 ARG 53 HG3 ARG 53 -19.268 -15.820 -28.754 411 HG3 ARG 53 HG2 ARG 53 -20.972 -16.253 -28.610 412 HD2 ARG 53 HD3 ARG 53 -19.578 -13.895 -27.353 413 HD3 ARG 53 HD2 ARG 53 -20.759 -13.856 -28.661 414 HE ARG 53 HE ARG 53 -22.025 -15.090 -26.536 415 HH11 ARG 53 HH11 ARG 53 -20.526 -11.981 -27.170 416 HH12 ARG 53 HH12 ARG 53 -21.543 -11.121 -26.047 417 HH21 ARG 53 HH21 ARG 53 -23.358 -13.966 -25.068 418 HH22 ARG 53 HH22 ARG 53 -23.148 -12.258 -24.840 419 H SER 54 H SER 54 -18.047 -18.379 -25.840 420 HA SER 54 HA SER 54 -17.150 -18.469 -23.152 421 HB2 SER 54 HB3 SER 54 -19.602 -18.507 -22.725 422 HB3 SER 54 HB2 SER 54 -19.727 -19.963 -23.710 423 HG SER 54 HG SER 54 -19.359 -19.957 -21.198 424 H ARG 55 H ARG 55 -16.272 -20.543 -22.599 425 HA ARG 55 HA ARG 55 -15.746 -22.230 -24.945 426 HB2 ARG 55 HB3 ARG 55 -14.251 -21.695 -22.407 427 HB3 ARG 55 HB2 ARG 55 -13.971 -23.190 -23.279 428 HG2 ARG 55 HG3 ARG 55 -13.433 -21.833 -25.299 429 HG3 ARG 55 HG2 ARG 55 -13.572 -20.387 -24.299 430 HD2 ARG 55 HD3 ARG 55 -11.252 -20.996 -24.485 431 HD3 ARG 55 HD2 ARG 55 -11.791 -21.283 -22.831 432 HE ARG 55 HE ARG 55 -11.985 -23.610 -24.505 433 HH11 ARG 55 HH11 ARG 55 -9.795 -21.704 -22.534 434 HH12 ARG 55 HH12 ARG 55 -8.738 -23.049 -22.191 435 HH21 ARG 55 HH21 ARG 55 -10.621 -25.381 -24.024 436 HH22 ARG 55 HH22 ARG 55 -9.224 -25.142 -23.011 437 H GLY 56 H GLY 56 -17.278 -22.163 -21.860 438 HA2 GLY 56 HA3 GLY 56 -18.973 -23.903 -21.492 439 HA3 GLY 56 HA2 GLY 56 -17.792 -25.062 -22.084 440 H PHE 57 H PHE 57 -16.381 -22.667 -20.144 441 HA PHE 57 HA PHE 57 -17.031 -23.804 -17.593 442 HB2 PHE 57 HB3 PHE 57 -14.891 -24.714 -17.003 443 HB3 PHE 57 HB2 PHE 57 -15.393 -25.465 -18.513 444 HD1 PHE 57 HD1 PHE 57 -12.815 -23.771 -16.816 445 HD2 PHE 57 HD2 PHE 57 -14.452 -24.426 -20.683 446 HE1 PHE 57 HE1 PHE 57 -10.684 -23.079 -17.831 447 HE2 PHE 57 HE2 PHE 57 -12.324 -23.743 -21.707 448 HZ PHE 57 HZ PHE 57 -10.436 -23.067 -20.279 449 H GLY 58 H GLY 58 -15.769 -22.749 -15.812 450 HA2 GLY 58 HA3 GLY 58 -14.422 -20.267 -16.464 451 HA3 GLY 58 HA2 GLY 58 -16.021 -20.061 -15.766 452 H PHE 59 H PHE 59 -14.615 -18.904 -14.135 453 HA PHE 59 HA PHE 59 -13.878 -20.794 -12.010 454 HB2 PHE 59 HB3 PHE 59 -12.184 -18.485 -12.969 455 HB3 PHE 59 HB2 PHE 59 -11.925 -19.317 -11.443 456 HD1 PHE 59 HD1 PHE 59 -11.164 -21.650 -11.420 457 HD2 PHE 59 HD2 PHE 59 -11.496 -19.437 -15.035 458 HE1 PHE 59 HE1 PHE 59 -9.716 -23.283 -12.549 459 HE2 PHE 59 HE2 PHE 59 -10.055 -21.072 -16.172 460 HZ PHE 59 HZ PHE 59 -9.159 -22.992 -14.929 461 H VAL 60 H VAL 60 -14.005 -19.959 -9.908 462 HA VAL 60 HA VAL 60 -15.039 -17.281 -9.478 463 HB VAL 60 HB VAL 60 -16.887 -18.340 -7.981 464 HG11 VAL 60 HG11 VAL 60 -17.243 -16.796 -9.810 465 HG12 VAL 60 HG12 VAL 60 -18.472 -18.068 -9.806 466 HG13 VAL 60 HG13 VAL 60 -17.142 -18.128 -10.965 467 HG21 VAL 60 HG21 VAL 60 -16.297 -20.661 -8.352 468 HG22 VAL 60 HG22 VAL 60 -16.540 -20.456 -10.087 469 HG23 VAL 60 HG23 VAL 60 -17.909 -20.321 -8.983 470 H THR 61 H THR 61 -13.714 -16.562 -8.009 471 HA THR 61 HA THR 61 -12.676 -18.359 -5.949 472 HB THR 61 HB THR 61 -11.922 -15.466 -6.306 473 HG1 THR 61 HG1 THR 61 -11.419 -16.186 -8.294 474 HG21 THR 61 HG21 THR 61 -9.782 -16.224 -5.370 475 HG22 THR 61 HG22 THR 61 -10.413 -17.868 -5.266 476 HG23 THR 61 HG23 THR 61 -11.126 -16.587 -4.287 477 H TYR 62 H TYR 62 -13.640 -18.429 -4.031 478 HA TYR 62 HA TYR 62 -15.619 -16.424 -3.350 479 HB2 TYR 62 HB3 TYR 62 -14.804 -19.065 -2.166 480 HB3 TYR 62 HB2 TYR 62 -15.845 -17.960 -1.273 481 HD1 TYR 62 HD1 TYR 62 -18.128 -17.783 -1.762 482 HD2 TYR 62 HD2 TYR 62 -15.592 -19.932 -4.411 483 HE1 TYR 62 HE1 TYR 62 -20.104 -18.645 -2.938 484 HE2 TYR 62 HE2 TYR 62 -17.566 -20.794 -5.600 485 HH TYR 62 HH TYR 62 -20.718 -19.550 -5.063 486 H ALA 63 H ALA 63 -15.679 -15.718 -0.987 487 HA ALA 63 HA ALA 63 -13.330 -14.177 -0.510 488 HB1 ALA 63 HB1 ALA 63 -15.604 -13.371 0.003 489 HB2 ALA 63 HB2 ALA 63 -14.526 -13.284 1.397 490 HB3 ALA 63 HB3 ALA 63 -15.721 -14.578 1.287 491 H THR 64 H THR 64 -14.532 -17.204 0.619 492 HA THR 64 HA THR 64 -12.031 -17.740 1.929 493 HB THR 64 HB THR 64 -13.121 -16.678 3.787 494 HG1 THR 64 HG1 THR 64 -12.872 -18.295 5.241 495 HG21 THR 64 HG21 THR 64 -15.269 -17.409 4.670 496 HG22 THR 64 HG22 THR 64 -15.416 -18.587 3.367 497 HG23 THR 64 HG23 THR 64 -15.433 -16.859 2.999 498 H VAL 65 H VAL 65 -11.868 -20.000 2.609 499 HA VAL 65 HA VAL 65 -12.542 -21.655 0.482 500 HB VAL 65 HB VAL 65 -11.654 -23.516 1.838 501 HG11 VAL 65 HG11 VAL 65 -9.399 -22.597 2.107 502 HG12 VAL 65 HG12 VAL 65 -10.052 -20.967 1.961 503 HG13 VAL 65 HG13 VAL 65 -10.144 -22.077 0.595 504 HG21 VAL 65 HG21 VAL 65 -10.774 -23.070 4.082 505 HG22 VAL 65 HG22 VAL 65 -12.524 -22.866 4.023 506 HG23 VAL 65 HG23 VAL 65 -11.474 -21.450 4.032 507 H GLU 66 H GLU 66 -14.229 -21.213 3.549 508 HA GLU 66 HA GLU 66 -15.731 -23.620 3.309 509 HB2 GLU 66 HB3 GLU 66 -17.166 -22.605 5.110 510 HB3 GLU 66 HB2 GLU 66 -15.464 -22.799 5.497 511 HG2 GLU 66 HG3 GLU 66 -15.118 -20.409 4.973 512 HG3 GLU 66 HG2 GLU 66 -16.860 -20.250 4.729 513 H GLU 67 H GLU 67 -16.109 -20.461 1.970 514 HA GLU 67 HA GLU 67 -18.881 -20.780 1.321 515 HB2 GLU 67 HB3 GLU 67 -16.852 -19.012 -0.049 516 HB3 GLU 67 HB2 GLU 67 -18.601 -18.860 -0.124 517 HG2 GLU 67 HG3 GLU 67 -18.341 -18.647 2.488 518 HG3 GLU 67 HG2 GLU 67 -16.718 -18.129 2.039 519 H VAL 68 H VAL 68 -15.810 -21.536 -0.164 520 HA VAL 68 HA VAL 68 -16.755 -22.483 -2.645 521 HB VAL 68 HB VAL 68 -14.317 -23.183 -1.002 522 HG11 VAL 68 HG11 VAL 68 -14.992 -24.176 -3.768 523 HG12 VAL 68 HG12 VAL 68 -14.919 -25.157 -2.304 524 HG13 VAL 68 HG13 VAL 68 -13.455 -24.403 -2.933 525 HG21 VAL 68 HG21 VAL 68 -14.672 -21.678 -3.586 526 HG22 VAL 68 HG22 VAL 68 -13.138 -21.974 -2.766 527 HG23 VAL 68 HG23 VAL 68 -14.366 -20.961 -2.003 528 H ASP 69 H ASP 69 -16.218 -24.049 0.473 529 HA ASP 69 HA ASP 69 -17.000 -26.646 -0.142 530 HB2 ASP 69 HB3 ASP 69 -16.000 -25.886 2.026 531 HB3 ASP 69 HB2 ASP 69 -17.563 -25.194 2.450 532 H ALA 70 H ALA 70 -19.005 -23.895 0.899 533 HA ALA 70 HA ALA 70 -21.448 -25.235 1.026 534 HB1 ALA 70 HB1 ALA 70 -20.956 -22.357 0.272 535 HB2 ALA 70 HB2 ALA 70 -21.104 -22.985 1.913 536 HB3 ALA 70 HB3 ALA 70 -22.487 -23.041 0.819 537 H ALA 71 H ALA 71 -19.828 -23.705 -1.723 538 HA ALA 71 HA ALA 71 -21.982 -24.118 -3.546 539 HB1 ALA 71 HB1 ALA 71 -19.066 -23.641 -4.132 540 HB2 ALA 71 HB2 ALA 71 -20.285 -22.385 -3.890 541 HB3 ALA 71 HB3 ALA 71 -20.403 -23.477 -5.271 542 H MET 72 H MET 72 -19.134 -25.959 -2.623 543 HA MET 72 HA MET 72 -19.348 -27.920 -4.668 544 HB2 MET 72 HB3 MET 72 -18.059 -28.041 -1.940 545 HB3 MET 72 HB2 MET 72 -17.932 -29.311 -3.146 546 HG2 MET 72 HG3 MET 72 -16.931 -27.587 -4.685 547 HG3 MET 72 HG2 MET 72 -16.855 -26.520 -3.285 548 HE1 MET 72 HE1 MET 72 -14.211 -26.423 -4.034 549 HE2 MET 72 HE2 MET 72 -14.447 -27.698 -5.230 550 HE3 MET 72 HE3 MET 72 -13.168 -27.846 -4.025 551 H ASN 73 H ASN 73 -20.671 -27.605 -1.436 552 HA ASN 73 HA ASN 73 -21.870 -30.193 -1.346 553 HB2 ASN 73 HB3 ASN 73 -22.657 -27.690 0.169 554 HB3 ASN 73 HB2 ASN 73 -23.099 -29.343 0.586 555 HD21 ASN 73 HD21 ASN 73 -21.562 -27.221 2.001 556 HD22 ASN 73 HD22 ASN 73 -20.032 -27.937 2.406 557 H ALA 74 H ALA 74 -22.600 -27.273 -2.908 558 HA ALA 74 HA ALA 74 -25.425 -27.823 -3.247 559 HB1 ALA 74 HB1 ALA 74 -23.712 -25.664 -4.477 560 HB2 ALA 74 HB2 ALA 74 -24.619 -25.510 -2.971 561 HB3 ALA 74 HB3 ALA 74 -25.475 -25.744 -4.498 562 H ARG 75 H ARG 75 -22.756 -29.146 -4.495 563 HA ARG 75 HA ARG 75 -23.567 -29.353 -7.257 564 HB2 ARG 75 HB3 ARG 75 -21.228 -29.396 -6.902 565 HB3 ARG 75 HB2 ARG 75 -21.362 -30.550 -5.588 566 HG2 ARG 75 HG3 ARG 75 -21.942 -32.307 -7.169 567 HG3 ARG 75 HG2 ARG 75 -21.858 -31.148 -8.499 568 HD2 ARG 75 HD3 ARG 75 -19.809 -32.601 -8.132 569 HD3 ARG 75 HD2 ARG 75 -19.534 -30.862 -8.242 570 HE ARG 75 HE ARG 75 -19.893 -31.843 -5.553 571 HH11 ARG 75 HH11 ARG 75 -17.549 -31.309 -8.100 572 HH12 ARG 75 HH12 ARG 75 -16.220 -31.088 -7.006 573 HH21 ARG 75 HH21 ARG 75 -18.138 -31.552 -4.116 574 HH22 ARG 75 HH22 ARG 75 -16.554 -31.223 -4.756 575 HA PRO 76 HA PRO 76 -23.634 -30.976 -8.993 576 HB2 PRO 76 HB3 PRO 76 -25.988 -31.306 -10.323 577 HB3 PRO 76 HB2 PRO 76 -24.849 -32.624 -10.025 578 HG2 PRO 76 HG3 PRO 76 -27.340 -31.897 -8.529 579 HG3 PRO 76 HG2 PRO 76 -26.764 -33.498 -9.032 580 HD2 PRO 76 HD3 PRO 76 -26.457 -32.589 -6.510 581 HD3 PRO 76 HD2 PRO 76 -25.259 -33.644 -7.286 582 H HIS 77 H HIS 77 -23.511 -28.942 -9.599 583 HA HIS 77 HA HIS 77 -25.251 -26.989 -8.358 584 HB2 HIS 77 HB3 HIS 77 -22.646 -26.945 -8.643 585 HB3 HIS 77 HB2 HIS 77 -23.016 -26.343 -10.253 586 HD2 HIS 77 HD2 HIS 77 -22.484 -25.067 -6.762 587 HE1 HIS 77 HE1 HIS 77 -24.511 -22.011 -8.888 588 HE2 HIS 77 HE2 HIS 77 -23.093 -22.546 -6.850 589 H LYS 78 H LYS 78 -25.912 -25.065 -9.800 590 HA LYS 78 HA LYS 78 -26.691 -25.899 -12.482 591 HB2 LYS 78 HB3 LYS 78 -28.542 -26.671 -11.105 592 HB3 LYS 78 HB2 LYS 78 -28.674 -25.092 -10.344 593 HG2 LYS 78 HG3 LYS 78 -30.421 -25.407 -11.994 594 HG3 LYS 78 HG2 LYS 78 -29.328 -24.110 -12.481 595 HD2 LYS 78 HD3 LYS 78 -29.743 -25.396 -14.424 596 HD3 LYS 78 HD2 LYS 78 -28.117 -25.816 -13.887 597 HE2 LYS 78 HE3 LYS 78 -29.220 -27.833 -14.506 598 HE3 LYS 78 HE2 LYS 78 -29.094 -27.811 -12.748 599 HZ1 LYS 78 HZ1 LYS 78 -31.526 -26.919 -14.191 600 HZ2 LYS 78 HZ2 LYS 78 -31.368 -27.287 -12.541 601 HZ3 LYS 78 HZ3 LYS 78 -31.290 -28.523 -13.697 602 H VAL 79 H VAL 79 -25.840 -24.306 -13.643 603 HA VAL 79 HA VAL 79 -26.777 -21.586 -13.092 604 HB VAL 79 HB VAL 79 -24.602 -21.375 -12.214 605 HG11 VAL 79 HG11 VAL 79 -23.669 -23.482 -12.900 606 HG12 VAL 79 HG12 VAL 79 -22.571 -22.170 -13.329 607 HG13 VAL 79 HG13 VAL 79 -23.568 -22.929 -14.573 608 HG21 VAL 79 HG21 VAL 79 -23.388 -19.946 -13.787 609 HG22 VAL 79 HG22 VAL 79 -25.118 -19.593 -13.784 610 HG23 VAL 79 HG23 VAL 79 -24.411 -20.529 -15.103 611 H ASP 80 H ASP 80 -27.570 -20.621 -14.833 612 HA ASP 80 HA ASP 80 -28.278 -20.233 -16.952 613 HB2 ASP 80 HB3 ASP 80 -25.844 -19.987 -17.435 614 HB3 ASP 80 HB2 ASP 80 -25.775 -21.701 -17.821 615 H GLY 81 H GLY 81 -29.037 -22.631 -15.485 616 HA2 GLY 81 HA3 GLY 81 -30.373 -24.473 -15.857 617 HA3 GLY 81 HA2 GLY 81 -30.391 -24.041 -17.562 618 H ARG 82 H ARG 82 -27.307 -24.358 -16.175 619 HA ARG 82 HA ARG 82 -26.988 -27.001 -17.431 620 HB2 ARG 82 HB3 ARG 82 -25.869 -25.206 -18.670 621 HB3 ARG 82 HB2 ARG 82 -25.021 -24.711 -17.214 622 HG2 ARG 82 HG3 ARG 82 -23.582 -25.963 -18.715 623 HG3 ARG 82 HG2 ARG 82 -23.803 -26.811 -17.190 624 HD2 ARG 82 HD3 ARG 82 -23.933 -28.375 -19.021 625 HD3 ARG 82 HD2 ARG 82 -25.514 -28.221 -18.254 626 HE ARG 82 HE ARG 82 -25.908 -26.544 -20.179 627 HH11 ARG 82 HH11 ARG 82 -23.929 -29.410 -20.410 628 HH12 ARG 82 HH12 ARG 82 -24.320 -29.707 -22.081 629 HH21 ARG 82 HH21 ARG 82 -26.418 -26.893 -22.370 630 HH22 ARG 82 HH22 ARG 82 -25.711 -28.244 -23.211 631 H VAL 83 H VAL 83 -26.272 -28.599 -16.157 632 HA VAL 83 HA VAL 83 -25.606 -28.077 -13.400 633 HB VAL 83 HB VAL 83 -25.572 -30.656 -14.984 634 HG11 VAL 83 HG11 VAL 83 -25.311 -30.225 -12.009 635 HG12 VAL 83 HG12 VAL 83 -24.035 -30.780 -13.093 636 HG13 VAL 83 HG13 VAL 83 -25.456 -31.787 -12.813 637 HG21 VAL 83 HG21 VAL 83 -27.574 -29.568 -13.008 638 HG22 VAL 83 HG22 VAL 83 -27.640 -31.159 -13.767 639 HG23 VAL 83 HG23 VAL 83 -27.800 -29.706 -14.752 640 H VAL 84 H VAL 84 -23.641 -27.565 -12.712 641 HA VAL 84 HA VAL 84 -21.356 -28.219 -14.450 642 HB VAL 84 HB VAL 84 -20.219 -26.246 -13.571 643 HG11 VAL 84 HG11 VAL 84 -21.616 -24.530 -14.629 644 HG12 VAL 84 HG12 VAL 84 -22.976 -25.653 -14.632 645 HG13 VAL 84 HG13 VAL 84 -21.538 -26.006 -15.590 646 HG21 VAL 84 HG21 VAL 84 -22.786 -25.702 -12.081 647 HG22 VAL 84 HG22 VAL 84 -21.398 -24.620 -12.180 648 HG23 VAL 84 HG23 VAL 84 -21.247 -26.171 -11.355 649 H GLU 85 H GLU 85 -19.271 -28.418 -13.338 650 HA GLU 85 HA GLU 85 -19.590 -29.703 -10.708 651 HB2 GLU 85 HB3 GLU 85 -19.017 -31.277 -12.532 652 HB3 GLU 85 HB2 GLU 85 -17.566 -30.343 -12.863 653 HG2 GLU 85 HG3 GLU 85 -16.670 -30.888 -10.690 654 HG3 GLU 85 HG2 GLU 85 -18.159 -31.731 -10.261 655 HA PRO 86 HA PRO 86 -16.709 -26.374 -9.741 656 HB2 PRO 86 HB3 PRO 86 -17.700 -26.188 -7.127 657 HB3 PRO 86 HB2 PRO 86 -18.226 -25.233 -8.511 658 HG2 PRO 86 HG3 PRO 86 -19.729 -27.169 -7.093 659 HG3 PRO 86 HG2 PRO 86 -20.194 -26.328 -8.579 660 HD2 PRO 86 HD3 PRO 86 -19.090 -29.055 -8.214 661 HD3 PRO 86 HD2 PRO 86 -20.141 -28.420 -9.498 662 H LYS 87 H LYS 87 -14.681 -27.075 -9.425 663 HA LYS 87 HA LYS 87 -14.135 -28.744 -7.050 664 HB2 LYS 87 HB3 LYS 87 -12.851 -28.955 -9.782 665 HB3 LYS 87 HB2 LYS 87 -12.307 -29.825 -8.352 666 HG2 LYS 87 HG3 LYS 87 -14.401 -31.014 -8.228 667 HG3 LYS 87 HG2 LYS 87 -15.047 -30.073 -9.571 668 HD2 LYS 87 HD3 LYS 87 -12.651 -31.892 -9.754 669 HD3 LYS 87 HD2 LYS 87 -14.292 -32.344 -10.221 670 HE2 LYS 87 HE3 LYS 87 -14.217 -30.288 -11.747 671 HE3 LYS 87 HE2 LYS 87 -12.474 -30.308 -11.474 672 HZ1 LYS 87 HZ1 LYS 87 -12.413 -32.580 -12.320 673 HZ2 LYS 87 HZ2 LYS 87 -13.043 -31.514 -13.477 674 HZ3 LYS 87 HZ3 LYS 87 -14.086 -32.531 -12.607 675 H ARG 88 H ARG 88 -11.939 -28.513 -6.183 676 HA ARG 88 HA ARG 88 -11.138 -25.857 -5.834 677 HB2 ARG 88 HB3 ARG 88 -10.391 -28.379 -4.813 678 HB3 ARG 88 HB2 ARG 88 -8.917 -27.667 -5.450 679 HG2 ARG 88 HG3 ARG 88 -9.081 -27.099 -3.145 680 HG3 ARG 88 HG2 ARG 88 -9.385 -25.637 -4.085 681 HD2 ARG 88 HD3 ARG 88 -11.742 -25.819 -3.730 682 HD3 ARG 88 HD2 ARG 88 -11.561 -27.411 -2.995 683 HE ARG 88 HE ARG 88 -10.227 -25.174 -1.680 684 HH11 ARG 88 HH11 ARG 88 -12.929 -27.406 -1.751 685 HH12 ARG 88 HH12 ARG 88 -13.405 -27.091 -0.111 686 HH21 ARG 88 HH21 ARG 88 -10.820 -24.790 0.486 687 HH22 ARG 88 HH22 ARG 88 -12.217 -25.585 1.161 688 H ALA 89 H ALA 89 -9.758 -24.537 -6.901 689 HA ALA 89 HA ALA 89 -8.994 -25.340 -9.553 690 HB1 ALA 89 HB1 ALA 89 -8.351 -23.024 -9.861 691 HB2 ALA 89 HB2 ALA 89 -8.535 -22.725 -8.133 692 HB3 ALA 89 HB3 ALA 89 -9.944 -23.130 -9.113 693 H VAL 90 H VAL 90 -6.870 -24.903 -10.439 694 HA VAL 90 HA VAL 90 -4.674 -25.390 -8.527 695 HB VAL 90 HB VAL 90 -4.662 -26.075 -11.474 696 HG11 VAL 90 HG11 VAL 90 -2.757 -27.496 -10.874 697 HG12 VAL 90 HG12 VAL 90 -2.875 -26.937 -9.205 698 HG13 VAL 90 HG13 VAL 90 -2.461 -25.800 -10.488 699 HG21 VAL 90 HG21 VAL 90 -6.404 -27.386 -10.400 700 HG22 VAL 90 HG22 VAL 90 -5.267 -27.907 -9.156 701 HG23 VAL 90 HG23 VAL 90 -5.033 -28.410 -10.830 702 H SER 91 H SER 91 -2.658 -24.238 -8.976 703 HA SER 91 HA SER 91 -2.931 -21.611 -9.868 704 HB2 SER 91 HB3 SER 91 -0.414 -23.296 -9.739 705 HB3 SER 91 HB2 SER 91 -0.466 -21.536 -9.850 706 HG SER 91 HG SER 91 -0.412 -22.885 -7.665 707 H ARG 92 H ARG 92 -2.732 -20.650 -11.839 708 HA ARG 92 HA ARG 92 -3.129 -22.304 -14.120 709 HB2 ARG 92 HB3 ARG 92 -3.002 -20.056 -15.369 710 HB3 ARG 92 HB2 ARG 92 -4.310 -20.276 -14.217 711 HG2 ARG 92 HG3 ARG 92 -1.784 -18.995 -13.297 712 HG3 ARG 92 HG2 ARG 92 -2.918 -18.060 -14.275 713 HD2 ARG 92 HD3 ARG 92 -4.439 -17.929 -12.619 714 HD3 ARG 92 HD2 ARG 92 -4.138 -19.576 -12.071 715 HE ARG 92 HE ARG 92 -1.938 -18.400 -11.193 716 HH11 ARG 92 HH11 ARG 92 -5.237 -17.223 -11.118 717 HH12 ARG 92 HH12 ARG 92 -5.043 -16.357 -9.627 718 HH21 ARG 92 HH21 ARG 92 -1.675 -17.281 -9.210 719 HH22 ARG 92 HH22 ARG 92 -3.005 -16.359 -8.554 720 H GLU 93 H GLU 93 -0.375 -20.877 -12.669 721 HA GLU 93 HA GLU 93 1.344 -21.038 -14.940 722 HB2 GLU 93 HB3 GLU 93 2.107 -21.100 -12.015 723 HB3 GLU 93 HB2 GLU 93 3.142 -20.672 -13.367 724 HG2 GLU 93 HG3 GLU 93 2.637 -18.588 -12.664 725 HG3 GLU 93 HG2 GLU 93 1.258 -18.838 -13.730 726 H ASP 94 H ASP 94 0.024 -23.294 -12.776 727 HA ASP 94 HA ASP 94 2.122 -25.285 -13.033 728 HB2 ASP 94 HB3 ASP 94 0.780 -25.032 -10.945 729 HB3 ASP 94 HB2 ASP 94 -0.648 -25.508 -11.837 730 H SER 95 H SER 95 -0.982 -24.514 -14.381 731 HA SER 95 HA SER 95 -1.583 -27.176 -15.177 732 HB2 SER 95 HB3 SER 95 -3.516 -25.981 -16.355 733 HB3 SER 95 HB2 SER 95 -3.424 -25.835 -14.599 734 HG SER 95 HG SER 95 -3.791 -23.816 -15.703 735 H GLN 96 H GLN 96 -1.539 -24.304 -17.264 736 HA GLN 96 HA GLN 96 -1.133 -24.046 -19.472 737 HB2 GLN 96 HB3 GLN 96 1.186 -24.303 -18.758 738 HB3 GLN 96 HB2 GLN 96 1.060 -26.048 -18.897 739 HG2 GLN 96 HG3 GLN 96 2.263 -24.891 -20.762 740 HG3 GLN 96 HG2 GLN 96 0.945 -25.950 -21.252 741 HE21 GLN 96 HE21 GLN 96 -0.865 -25.088 -22.191 742 HE22 GLN 96 HE22 GLN 96 -0.973 -23.442 -22.714 743 H ARG 97 H ARG 97 -3.287 -25.208 -19.493 744 HA ARG 97 HA ARG 97 -3.058 -27.505 -21.320 745 HB2 ARG 97 HB3 ARG 97 -5.164 -27.026 -19.201 746 HB3 ARG 97 HB2 ARG 97 -5.279 -28.262 -20.443 747 HG2 ARG 97 HG3 ARG 97 -3.207 -28.091 -18.265 748 HG3 ARG 97 HG2 ARG 97 -4.541 -29.240 -18.368 749 HD2 ARG 97 HD3 ARG 97 -2.142 -29.034 -20.177 750 HD3 ARG 97 HD2 ARG 97 -2.556 -30.356 -19.088 751 HE ARG 97 HE ARG 97 -4.523 -29.813 -21.139 752 HH11 ARG 97 HH11 ARG 97 -1.661 -31.637 -20.274 753 HH12 ARG 97 HH12 ARG 97 -1.933 -32.866 -21.477 754 HH21 ARG 97 HH21 ARG 97 -4.865 -31.384 -22.722 755 HH22 ARG 97 HH22 ARG 97 -3.754 -32.713 -22.888 756 H5' U 1 H5' U 1 -16.463 -31.215 -22.227 757 H5'' U 1 H5'' U 1 -16.981 -29.576 -21.812 758 H4' U 1 H4' U 1 -14.958 -30.486 -23.679 759 H3' U 1 H3' U 1 -14.917 -28.602 -21.754 760 H2' U 1 H2' U 1 -16.018 -26.722 -22.564 761 HO2' U 1 HO2' U 1 -13.891 -27.037 -24.365 762 H1' U 1 H1' U 1 -16.481 -27.215 -25.344 763 H3 U 1 H3 U 1 -20.957 -27.928 -25.125 764 H5 U 1 H5 U 1 -19.766 -27.261 -21.155 765 H6 U 1 H6 U 1 -17.483 -27.376 -21.897 766 HO5' U 1 HO5' U 1 -18.077 -31.390 -23.547 767 H5' U 2 H5' U 2 -14.358 -28.289 -20.214 768 H5'' U 2 H5'' U 2 -14.467 -26.523 -20.055 769 H4' U 2 H4' U 2 -12.489 -26.475 -18.690 770 H3' U 2 H3' U 2 -11.620 -28.802 -19.784 771 H2' U 2 H2' U 2 -13.124 -30.287 -18.673 772 HO2' U 2 HO2' U 2 -11.889 -30.432 -16.360 773 H1' U 2 H1' U 2 -12.928 -28.555 -16.146 774 H3 U 2 H3 U 2 -15.914 -31.093 -14.003 775 H5 U 2 H5 U 2 -17.508 -30.854 -17.877 776 H6 U 2 H6 U 2 -15.537 -29.638 -18.535 777 H5' A 3 H5' A 3 -10.498 -25.954 -18.560 778 H5'' A 3 H5'' A 3 -9.713 -25.103 -19.905 779 H4' A 3 H4' A 3 -9.074 -23.779 -18.167 780 H3' A 3 H3' A 3 -6.933 -25.027 -19.175 781 H2' A 3 H2' A 3 -7.179 -26.973 -17.652 782 HO2' A 3 HO2' A 3 -5.433 -26.655 -16.131 783 H1' A 3 H1' A 3 -7.464 -24.727 -15.552 784 H8 A 3 H8 A 3 -7.864 -28.517 -16.164 785 H61 A 3 H61 A 3 -8.660 -29.750 -11.518 786 H62 A 3 H62 A 3 -8.893 -28.815 -10.058 787 H2 A 3 H2 A 3 -8.632 -24.492 -11.230 788 H5' G 4 H5' G 4 -7.685 -22.268 -19.036 789 H5'' G 4 H5'' G 4 -7.280 -21.424 -20.544 790 H4' G 4 H4' G 4 -7.692 -19.602 -19.351 791 H3' G 4 H3' G 4 -4.908 -19.990 -19.247 792 H2' G 4 H2' G 4 -4.868 -20.448 -16.875 793 HO2' G 4 HO2' G 4 -4.893 -17.688 -17.397 794 H1' G 4 H1' G 4 -7.308 -18.560 -16.812 795 H8 G 4 H8 G 4 -7.751 -17.996 -14.410 796 H1 G 4 H1 G 4 -6.342 -23.928 -12.454 797 H21 G 4 H21 G 4 -5.458 -24.493 -15.750 798 H22 G 4 H22 G 4 -5.608 -25.134 -14.129 799 H5' G 5 H5' G 5 -5.584 -14.863 -19.424 800 H5'' G 5 H5'' G 5 -6.511 -16.151 -18.629 801 H4' G 5 H4' G 5 -7.866 -14.343 -20.572 802 H3' G 5 H3' G 5 -6.840 -13.415 -17.956 803 H2' G 5 H2' G 5 -8.967 -12.663 -17.182 804 HO2' G 5 HO2' G 5 -10.584 -12.167 -18.528 805 H1' G 5 H1' G 5 -10.440 -14.854 -17.904 806 H8 G 5 H8 G 5 -7.522 -16.790 -17.308 807 H1 G 5 H1 G 5 -9.522 -14.077 -11.854 808 H21 G 5 H21 G 5 -11.378 -12.012 -13.928 809 H22 G 5 H22 G 5 -10.931 -12.443 -12.293 810 H5' U 6 H5' U 6 -5.043 -11.754 -16.097 811 H5'' U 6 H5'' U 6 -5.183 -10.110 -16.751 812 H4' U 6 H4' U 6 -3.011 -9.950 -17.161 813 H3' U 6 H3' U 6 -3.207 -11.787 -19.027 814 H2' U 6 H2' U 6 -3.319 -13.783 -17.736 815 HO2' U 6 HO2' U 6 -0.635 -13.819 -17.240 816 H1' U 6 H1' U 6 -1.288 -13.013 -15.669 817 H3 U 6 H3 U 6 -3.106 -15.498 -12.478 818 H5 U 6 H5 U 6 -6.304 -14.966 -15.149 819 H6 U 6 H6 U 6 -4.868 -13.553 -16.465 820 H5' C 7 H5' C 7 -1.092 -10.463 -22.492 821 H5'' C 7 H5'' C 7 -1.644 -8.865 -21.954 822 H4' C 7 H4' C 7 -3.136 -9.207 -23.599 823 H3' C 7 H3' C 7 -4.353 -10.179 -21.092 824 HO3' C 7 HO3' C 7 -4.341 -8.038 -22.183 825 H2' C 7 H2' C 7 -6.048 -11.459 -22.143 826 HO2' C 7 HO2' C 7 -5.723 -9.565 -24.063 827 H1' C 7 H1' C 7 -4.593 -12.510 -24.255 828 H41 C 7 H41 C 7 -3.336 -16.020 -18.796 829 H42 C 7 H42 C 7 -3.016 -17.063 -20.163 830 H5 C 7 H5 C 7 -3.963 -13.691 -19.038 831 H6 C 7 H6 C 7 -4.408 -11.901 -20.631 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 4.548 0.091 2.669 2 H2 ALA 1 H2 ALA 1 3.017 0.746 2.987 3 H3 ALA 1 H3 ALA 1 3.926 1.313 1.673 4 HA ALA 1 HA ALA 1 2.142 -0.152 0.966 5 HB1 ALA 1 HB1 ALA 1 4.887 -1.329 0.565 6 HB2 ALA 1 HB2 ALA 1 4.204 0.016 -0.350 7 HB3 ALA 1 HB3 ALA 1 3.477 -1.587 -0.463 8 H SER 2 H SER 2 4.616 -1.910 2.854 9 HA SER 2 HA SER 2 3.019 -4.263 3.075 10 HB2 SER 2 HB3 SER 2 5.400 -3.412 4.741 11 HB3 SER 2 HB2 SER 2 4.749 -5.046 4.603 12 HG SER 2 HG SER 2 5.355 -5.089 2.446 13 H LYS 3 H LYS 3 1.042 -3.767 3.938 14 HA LYS 3 HA LYS 3 0.975 -2.487 6.577 15 HB2 LYS 3 HB3 LYS 3 -1.197 -3.021 4.544 16 HB3 LYS 3 HB2 LYS 3 -1.479 -2.294 6.122 17 HG2 LYS 3 HG3 LYS 3 -0.270 -0.357 5.567 18 HG3 LYS 3 HG2 LYS 3 0.453 -1.117 4.150 19 HD2 LYS 3 HD3 LYS 3 -1.295 0.471 3.522 20 HD3 LYS 3 HD2 LYS 3 -1.723 -1.175 3.057 21 HE2 LYS 3 HE3 LYS 3 -3.162 -1.361 5.015 22 HE3 LYS 3 HE2 LYS 3 -2.710 0.270 5.511 23 HZ1 LYS 3 HZ1 LYS 3 -3.806 1.194 3.666 24 HZ2 LYS 3 HZ2 LYS 3 -4.883 0.039 4.291 25 HZ3 LYS 3 HZ3 LYS 3 -3.978 -0.307 2.897 26 H SER 4 H SER 4 1.180 -5.495 5.330 27 HA SER 4 HA SER 4 1.081 -7.551 6.276 28 HB2 SER 4 HB3 SER 4 0.241 -6.054 8.764 29 HB3 SER 4 HB2 SER 4 0.719 -7.750 8.706 30 HG SER 4 HG SER 4 2.332 -5.508 8.034 31 H GLU 5 H GLU 5 -1.499 -5.837 5.468 32 HA GLU 5 HA GLU 5 -3.467 -7.719 6.561 33 HB2 GLU 5 HB3 GLU 5 -5.158 -6.048 5.832 34 HB3 GLU 5 HB2 GLU 5 -4.024 -5.428 7.023 35 HG2 GLU 5 HG3 GLU 5 -2.783 -4.291 5.264 36 HG3 GLU 5 HG2 GLU 5 -3.902 -4.928 4.058 37 H SER 6 H SER 6 -1.590 -8.135 4.280 38 HA SER 6 HA SER 6 -3.101 -8.224 1.882 39 HB2 SER 6 HB3 SER 6 -0.707 -9.919 2.632 40 HB3 SER 6 HB2 SER 6 -1.252 -9.501 1.006 41 HG SER 6 HG SER 6 0.513 -8.196 1.752 42 HA PRO 7 HA PRO 7 -5.713 -11.722 2.531 43 HB2 PRO 7 HB3 PRO 7 -5.089 -12.538 -0.248 44 HB3 PRO 7 HB2 PRO 7 -6.649 -12.160 0.492 45 HG2 PRO 7 HG3 PRO 7 -5.481 -10.474 -1.223 46 HG3 PRO 7 HG2 PRO 7 -6.397 -9.884 0.176 47 HD2 PRO 7 HD3 PRO 7 -3.438 -10.067 -0.214 48 HD3 PRO 7 HD2 PRO 7 -4.396 -8.803 0.586 49 H LYS 8 H LYS 8 -4.922 -13.279 3.809 50 HA LYS 8 HA LYS 8 -2.532 -14.728 3.085 51 HB2 LYS 8 HB3 LYS 8 -2.918 -15.917 5.269 52 HB3 LYS 8 HB2 LYS 8 -2.701 -14.180 5.387 53 HG2 LYS 8 HG3 LYS 8 -4.430 -14.631 6.864 54 HG3 LYS 8 HG2 LYS 8 -5.259 -14.050 5.422 55 HD2 LYS 8 HD3 LYS 8 -6.420 -15.972 6.311 56 HD3 LYS 8 HD2 LYS 8 -5.686 -16.389 4.763 57 HE2 LYS 8 HE3 LYS 8 -5.368 -18.190 6.359 58 HE3 LYS 8 HE2 LYS 8 -3.819 -17.457 5.948 59 HZ1 LYS 8 HZ1 LYS 8 -4.130 -17.917 8.352 60 HZ2 LYS 8 HZ2 LYS 8 -5.379 -16.767 8.379 61 HZ3 LYS 8 HZ3 LYS 8 -3.794 -16.291 8.008 62 H GLU 9 H GLU 9 -5.844 -15.083 2.549 63 HA GLU 9 HA GLU 9 -5.745 -17.963 2.204 64 HB2 GLU 9 HB3 GLU 9 -7.868 -15.901 1.596 65 HB3 GLU 9 HB2 GLU 9 -8.061 -17.616 1.269 66 HG2 GLU 9 HG3 GLU 9 -7.544 -16.447 3.990 67 HG3 GLU 9 HG2 GLU 9 -9.138 -16.859 3.359 68 HA PRO 10 HA PRO 10 -3.819 -17.389 -1.811 69 HB2 PRO 10 HB3 PRO 10 -4.477 -20.260 -2.080 70 HB3 PRO 10 HB2 PRO 10 -2.920 -19.443 -2.230 71 HG2 PRO 10 HG3 PRO 10 -3.531 -20.960 -0.102 72 HG3 PRO 10 HG2 PRO 10 -2.515 -19.511 0.034 73 HD2 PRO 10 HD3 PRO 10 -5.370 -19.907 0.793 74 HD3 PRO 10 HD2 PRO 10 -4.122 -18.911 1.568 75 H GLU 11 H GLU 11 -4.674 -16.873 -3.723 76 HA GLU 11 HA GLU 11 -7.437 -16.952 -4.210 77 HB2 GLU 11 HB3 GLU 11 -6.102 -15.299 -5.302 78 HB3 GLU 11 HB2 GLU 11 -5.079 -16.521 -6.045 79 HG2 GLU 11 HG3 GLU 11 -6.848 -17.215 -7.493 80 HG3 GLU 11 HG2 GLU 11 -8.004 -16.188 -6.649 81 H GLN 12 H GLN 12 -4.839 -19.125 -5.099 82 HA GLN 12 HA GLN 12 -6.002 -20.654 -7.069 83 HB2 GLN 12 HB3 GLN 12 -3.741 -21.078 -6.574 84 HB3 GLN 12 HB2 GLN 12 -4.076 -21.367 -4.873 85 HG2 GLN 12 HG3 GLN 12 -5.242 -23.439 -5.475 86 HG3 GLN 12 HG2 GLN 12 -4.857 -23.150 -7.168 87 HE21 GLN 12 HE21 GLN 12 -3.756 -25.129 -7.222 88 HE22 GLN 12 HE22 GLN 12 -2.171 -25.300 -6.544 89 H LEU 13 H LEU 13 -6.168 -21.374 -3.549 90 HA LEU 13 HA LEU 13 -7.906 -23.598 -4.173 91 HB2 LEU 13 HB3 LEU 13 -7.327 -24.482 -2.191 92 HB3 LEU 13 HB2 LEU 13 -6.008 -23.336 -2.306 93 HG LEU 13 HG LEU 13 -8.560 -22.741 -0.818 94 HD11 LEU 13 HD11 LEU 13 -7.517 -24.704 0.159 95 HD12 LEU 13 HD12 LEU 13 -7.328 -23.304 1.218 96 HD13 LEU 13 HD13 LEU 13 -5.969 -23.860 0.239 97 HD21 LEU 13 HD21 LEU 13 -7.189 -21.042 0.276 98 HD22 LEU 13 HD22 LEU 13 -7.239 -20.796 -1.469 99 HD23 LEU 13 HD23 LEU 13 -5.810 -21.507 -0.720 100 H ARG 14 H ARG 14 -8.371 -20.335 -3.516 101 HA ARG 14 HA ARG 14 -11.044 -20.764 -2.425 102 HB2 ARG 14 HB3 ARG 14 -9.616 -18.208 -3.181 103 HB3 ARG 14 HB2 ARG 14 -11.244 -18.289 -2.526 104 HG2 ARG 14 HG3 ARG 14 -10.330 -19.329 -0.482 105 HG3 ARG 14 HG2 ARG 14 -8.705 -19.084 -1.134 106 HD2 ARG 14 HD3 ARG 14 -10.716 -16.875 -0.729 107 HD3 ARG 14 HD2 ARG 14 -9.472 -17.302 0.445 108 HE ARG 14 HE ARG 14 -7.811 -16.641 -1.198 109 HH11 ARG 14 HH11 ARG 14 -11.108 -15.658 -1.874 110 HH12 ARG 14 HH12 ARG 14 -10.634 -14.292 -2.835 111 HH21 ARG 14 HH21 ARG 14 -7.190 -14.835 -2.451 112 HH22 ARG 14 HH22 ARG 14 -8.410 -13.827 -3.167 113 H LYS 15 H LYS 15 -9.464 -20.471 -5.419 114 HA LYS 15 HA LYS 15 -11.780 -19.484 -6.841 115 HB2 LYS 15 HB3 LYS 15 -9.347 -18.998 -7.476 116 HB3 LYS 15 HB2 LYS 15 -9.292 -20.648 -8.084 117 HG2 LYS 15 HG3 LYS 15 -11.174 -20.118 -9.593 118 HG3 LYS 15 HG2 LYS 15 -11.125 -18.450 -9.024 119 HD2 LYS 15 HD3 LYS 15 -8.903 -19.917 -10.446 120 HD3 LYS 15 HD2 LYS 15 -9.948 -18.683 -11.145 121 HE2 LYS 15 HE3 LYS 15 -8.059 -18.270 -8.839 122 HE3 LYS 15 HE2 LYS 15 -7.736 -17.814 -10.508 123 HZ1 LYS 15 HZ1 LYS 15 -9.652 -16.306 -10.397 124 HZ2 LYS 15 HZ2 LYS 15 -8.476 -15.912 -9.246 125 HZ3 LYS 15 HZ3 LYS 15 -9.887 -16.720 -8.773 126 H LEU 16 H LEU 16 -13.288 -20.656 -7.696 127 HA LEU 16 HA LEU 16 -13.066 -23.571 -7.594 128 HB2 LEU 16 HB3 LEU 16 -14.992 -22.013 -6.656 129 HB3 LEU 16 HB2 LEU 16 -15.550 -22.084 -8.312 130 HG LEU 16 HG LEU 16 -15.865 -24.445 -8.207 131 HD11 LEU 16 HD11 LEU 16 -14.548 -24.269 -5.505 132 HD12 LEU 16 HD12 LEU 16 -13.933 -25.095 -6.935 133 HD13 LEU 16 HD13 LEU 16 -15.377 -25.696 -6.123 134 HD21 LEU 16 HD21 LEU 16 -16.871 -23.123 -5.690 135 HD22 LEU 16 HD22 LEU 16 -17.516 -24.603 -6.403 136 HD23 LEU 16 HD23 LEU 16 -17.645 -23.074 -7.274 137 H PHE 17 H PHE 17 -12.751 -24.686 -9.384 138 HA PHE 17 HA PHE 17 -12.843 -23.413 -11.982 139 HB2 PHE 17 HB3 PHE 17 -11.003 -24.909 -11.627 140 HB3 PHE 17 HB2 PHE 17 -12.071 -26.188 -11.061 141 HD1 PHE 17 HD1 PHE 17 -12.278 -27.939 -12.513 142 HD2 PHE 17 HD2 PHE 17 -11.838 -24.016 -14.098 143 HE1 PHE 17 HE1 PHE 17 -12.412 -28.849 -14.794 144 HE2 PHE 17 HE2 PHE 17 -11.970 -24.919 -16.381 145 HZ PHE 17 HZ PHE 17 -12.257 -27.338 -16.731 146 H ILE 18 H ILE 18 -14.699 -23.232 -12.999 147 HA ILE 18 HA ILE 18 -16.811 -25.200 -12.450 148 HB ILE 18 HB ILE 18 -17.178 -22.547 -13.835 149 HG12 ILE 18 HG12 ILE 18 -16.229 -22.014 -11.686 150 HG13 ILE 18 HG13 ILE 18 -17.955 -21.679 -11.629 151 HG21 ILE 18 HG21 ILE 18 -18.972 -24.149 -14.128 152 HG22 ILE 18 HG22 ILE 18 -19.503 -22.819 -13.099 153 HG23 ILE 18 HG23 ILE 18 -19.084 -24.375 -12.382 154 HD11 ILE 18 HD11 ILE 18 -18.312 -23.797 -10.452 155 HD12 ILE 18 HD12 ILE 18 -17.217 -22.719 -9.582 156 HD13 ILE 18 HD13 ILE 18 -16.572 -24.092 -10.484 157 H GLY 19 H GLY 19 -16.218 -26.812 -13.906 158 HA2 GLY 19 HA3 GLY 19 -16.021 -26.005 -16.728 159 HA3 GLY 19 HA2 GLY 19 -15.491 -27.549 -16.070 160 H GLY 20 H GLY 20 -17.423 -26.741 -18.244 161 HA2 GLY 20 HA3 GLY 20 -19.166 -28.065 -19.085 162 HA3 GLY 20 HA2 GLY 20 -19.451 -28.682 -17.465 163 H LEU 21 H LEU 21 -19.205 -25.298 -18.414 164 HA LEU 21 HA LEU 21 -22.043 -24.985 -17.734 165 HB2 LEU 21 HB3 LEU 21 -21.470 -22.520 -17.606 166 HB3 LEU 21 HB2 LEU 21 -20.816 -23.543 -16.347 167 HG LEU 21 HG LEU 21 -18.667 -23.566 -17.808 168 HD11 LEU 21 HD11 LEU 21 -19.897 -21.002 -18.782 169 HD12 LEU 21 HD12 LEU 21 -19.770 -22.467 -19.753 170 HD13 LEU 21 HD13 LEU 21 -18.311 -21.651 -19.188 171 HD21 LEU 21 HD21 LEU 21 -19.553 -21.099 -16.324 172 HD22 LEU 21 HD22 LEU 21 -17.885 -21.540 -16.692 173 HD23 LEU 21 HD23 LEU 21 -18.846 -22.547 -15.608 174 H SER 22 H SER 22 -23.099 -23.137 -19.088 175 HA SER 22 HA SER 22 -23.086 -24.277 -21.720 176 HB2 SER 22 HB3 SER 22 -25.031 -22.854 -22.111 177 HB3 SER 22 HB2 SER 22 -25.174 -23.659 -20.547 178 HG SER 22 HG SER 22 -25.704 -21.471 -20.332 179 H PHE 23 H PHE 23 -23.412 -22.669 -23.622 180 HA PHE 23 HA PHE 23 -21.060 -20.969 -23.725 181 HB2 PHE 23 HB3 PHE 23 -23.116 -21.658 -25.837 182 HB3 PHE 23 HB2 PHE 23 -21.686 -20.669 -26.116 183 HD1 PHE 23 HD1 PHE 23 -23.018 -23.936 -26.149 184 HD2 PHE 23 HD2 PHE 23 -19.411 -21.763 -25.552 185 HE1 PHE 23 HE1 PHE 23 -21.717 -25.972 -26.619 186 HE2 PHE 23 HE2 PHE 23 -18.101 -23.794 -26.022 187 HZ PHE 23 HZ PHE 23 -19.255 -25.903 -26.556 188 H GLU 24 H GLU 24 -24.041 -20.609 -22.542 189 HA GLU 24 HA GLU 24 -24.233 -17.786 -23.329 190 HB2 GLU 24 HB3 GLU 24 -26.338 -19.466 -21.960 191 HB3 GLU 24 HB2 GLU 24 -26.543 -17.856 -22.644 192 HG2 GLU 24 HG3 GLU 24 -25.953 -18.859 -24.879 193 HG3 GLU 24 HG2 GLU 24 -26.073 -20.435 -24.104 194 H THR 25 H THR 25 -23.264 -19.875 -20.891 195 HA THR 25 HA THR 25 -23.745 -18.318 -18.587 196 HB THR 25 HB THR 25 -21.420 -20.197 -19.108 197 HG1 THR 25 HG1 THR 25 -23.857 -20.881 -19.168 198 HG21 THR 25 HG21 THR 25 -21.062 -18.747 -17.170 199 HG22 THR 25 HG22 THR 25 -21.357 -20.408 -16.658 200 HG23 THR 25 HG23 THR 25 -22.639 -19.204 -16.522 201 H THR 26 H THR 26 -22.836 -16.471 -17.913 202 HA THR 26 HA THR 26 -20.333 -15.597 -19.157 203 HB THR 26 HB THR 26 -22.072 -14.479 -20.408 204 HG1 THR 26 HG1 THR 26 -20.843 -12.783 -20.334 205 HG21 THR 26 HG21 THR 26 -23.898 -14.659 -18.821 206 HG22 THR 26 HG22 THR 26 -23.685 -12.982 -19.323 207 HG23 THR 26 HG23 THR 26 -23.102 -13.512 -17.745 208 H ASP 27 H ASP 27 -19.441 -13.659 -17.992 209 HA ASP 27 HA ASP 27 -18.670 -14.511 -15.488 210 HB2 ASP 27 HB3 ASP 27 -18.637 -11.684 -16.561 211 HB3 ASP 27 HB2 ASP 27 -17.681 -12.285 -15.216 212 H GLU 28 H GLU 28 -21.179 -12.201 -16.340 213 HA GLU 28 HA GLU 28 -21.714 -11.377 -13.682 214 HB2 GLU 28 HB3 GLU 28 -23.773 -10.383 -14.647 215 HB3 GLU 28 HB2 GLU 28 -22.312 -9.945 -15.522 216 HG2 GLU 28 HG3 GLU 28 -22.819 -11.559 -17.246 217 HG3 GLU 28 HG2 GLU 28 -24.239 -12.097 -16.355 218 H SER 29 H SER 29 -23.149 -13.885 -15.760 219 HA SER 29 HA SER 29 -25.205 -14.399 -13.806 220 HB2 SER 29 HB3 SER 29 -25.752 -16.351 -15.284 221 HB3 SER 29 HB2 SER 29 -25.787 -14.792 -16.105 222 HG SER 29 HG SER 29 -24.681 -16.559 -17.215 223 H LEU 30 H LEU 30 -22.056 -15.597 -14.642 224 HA LEU 30 HA LEU 30 -22.118 -18.028 -13.216 225 HB2 LEU 30 HB3 LEU 30 -20.311 -17.429 -14.798 226 HB3 LEU 30 HB2 LEU 30 -19.754 -16.199 -13.676 227 HG LEU 30 HG LEU 30 -19.487 -18.136 -11.994 228 HD11 LEU 30 HD11 LEU 30 -19.055 -20.314 -12.988 229 HD12 LEU 30 HD12 LEU 30 -19.553 -19.698 -14.565 230 HD13 LEU 30 HD13 LEU 30 -20.723 -19.804 -13.249 231 HD21 LEU 30 HD21 LEU 30 -17.629 -16.900 -13.036 232 HD22 LEU 30 HD22 LEU 30 -17.648 -18.046 -14.377 233 HD23 LEU 30 HD23 LEU 30 -17.251 -18.597 -12.748 234 H ARG 31 H ARG 31 -21.167 -14.738 -12.269 235 HA ARG 31 HA ARG 31 -20.468 -15.500 -9.640 236 HB2 ARG 31 HB3 ARG 31 -19.919 -13.328 -9.271 237 HB3 ARG 31 HB2 ARG 31 -19.988 -13.264 -11.024 238 HG2 ARG 31 HG3 ARG 31 -22.203 -12.305 -10.942 239 HG3 ARG 31 HG2 ARG 31 -22.238 -12.493 -9.182 240 HD2 ARG 31 HD3 ARG 31 -20.210 -10.818 -10.658 241 HD3 ARG 31 HD2 ARG 31 -21.701 -10.177 -9.964 242 HE ARG 31 HE ARG 31 -20.625 -11.418 -7.860 243 HH11 ARG 31 HH11 ARG 31 -19.289 -9.109 -10.125 244 HH12 ARG 31 HH12 ARG 31 -18.082 -8.531 -9.014 245 HH21 ARG 31 HH21 ARG 31 -19.059 -10.681 -6.405 246 HH22 ARG 31 HH22 ARG 31 -17.936 -9.449 -6.902 247 H SER 32 H SER 32 -23.470 -14.210 -11.053 248 HA SER 32 HA SER 32 -24.856 -13.967 -8.622 249 HB2 SER 32 HB3 SER 32 -25.910 -14.503 -11.403 250 HB3 SER 32 HB2 SER 32 -26.909 -14.039 -10.026 251 HG SER 32 HG SER 32 -26.280 -12.050 -10.236 252 H HIS 33 H HIS 33 -24.332 -16.763 -10.696 253 HA HIS 33 HA HIS 33 -26.200 -18.388 -9.232 254 HB2 HIS 33 HB3 HIS 33 -24.288 -18.894 -11.480 255 HB3 HIS 33 HB2 HIS 33 -24.988 -20.251 -10.605 256 HD2 HIS 33 HD2 HIS 33 -27.901 -20.246 -10.677 257 HE1 HIS 33 HE1 HIS 33 -27.906 -18.179 -14.366 258 HE2 HIS 33 HE2 HIS 33 -29.340 -19.388 -12.660 259 H PHE 34 H PHE 34 -22.946 -17.454 -8.737 260 HA PHE 34 HA PHE 34 -22.566 -19.796 -7.002 261 HB2 PHE 34 HB3 PHE 34 -20.612 -18.181 -8.578 262 HB3 PHE 34 HB2 PHE 34 -20.073 -19.038 -7.135 263 HD1 PHE 34 HD1 PHE 34 -20.175 -21.470 -7.027 264 HD2 PHE 34 HD2 PHE 34 -21.219 -19.361 -10.567 265 HE1 PHE 34 HE1 PHE 34 -20.023 -23.560 -8.311 266 HE2 PHE 34 HE2 PHE 34 -21.069 -21.446 -11.858 267 HZ PHE 34 HZ PHE 34 -20.475 -23.551 -10.730 268 H GLU 35 H GLU 35 -22.845 -16.354 -6.968 269 HA GLU 35 HA GLU 35 -21.660 -16.037 -4.376 270 HB2 GLU 35 HB3 GLU 35 -23.456 -14.196 -5.952 271 HB3 GLU 35 HB2 GLU 35 -22.735 -13.781 -4.401 272 HG2 GLU 35 HG3 GLU 35 -20.494 -14.275 -5.481 273 HG3 GLU 35 HG2 GLU 35 -21.363 -14.292 -7.015 274 H GLN 36 H GLN 36 -24.032 -17.876 -5.067 275 HA GLN 36 HA GLN 36 -26.106 -17.004 -3.285 276 HB2 GLN 36 HB3 GLN 36 -25.605 -19.554 -4.804 277 HB3 GLN 36 HB2 GLN 36 -26.950 -19.372 -3.685 278 HG2 GLN 36 HG3 GLN 36 -27.809 -17.516 -5.010 279 HG3 GLN 36 HG2 GLN 36 -26.445 -17.671 -6.116 280 HE21 GLN 36 HE21 GLN 36 -26.324 -19.462 -7.461 281 HE22 GLN 36 HE22 GLN 36 -27.716 -20.416 -7.846 282 H TRP 37 H TRP 37 -23.385 -19.223 -3.191 283 HA TRP 37 HA TRP 37 -24.076 -19.923 -0.422 284 HB2 TRP 37 HB3 TRP 37 -22.244 -21.353 -2.366 285 HB3 TRP 37 HB2 TRP 37 -22.582 -21.868 -0.717 286 HD1 TRP 37 HD1 TRP 37 -24.914 -23.048 -0.247 287 HE1 TRP 37 HE1 TRP 37 -26.725 -24.025 -1.790 288 HE3 TRP 37 HE3 TRP 37 -23.378 -21.020 -4.680 289 HZ2 TRP 37 HZ2 TRP 37 -27.407 -23.949 -4.522 290 HZ3 TRP 37 HZ3 TRP 37 -24.666 -21.527 -6.710 291 HH2 TRP 37 HH2 TRP 37 -26.637 -22.962 -6.633 292 H GLY 38 H GLY 38 -22.454 -17.609 -1.812 293 HA2 GLY 38 HA3 GLY 38 -20.827 -17.009 0.357 294 HA3 GLY 38 HA2 GLY 38 -19.814 -17.866 -0.790 295 H THR 39 H THR 39 -18.629 -15.817 -0.683 296 HA THR 39 HA THR 39 -19.783 -13.768 -2.469 297 HB THR 39 HB THR 39 -17.779 -13.525 -0.220 298 HG1 THR 39 HG1 THR 39 -19.727 -13.295 0.683 299 HG21 THR 39 HG21 THR 39 -18.604 -11.439 -2.237 300 HG22 THR 39 HG22 THR 39 -16.992 -12.124 -2.023 301 HG23 THR 39 HG23 THR 39 -17.695 -11.113 -0.761 302 H LEU 40 H LEU 40 -18.828 -13.614 -4.433 303 HA LEU 40 HA LEU 40 -16.263 -14.941 -4.825 304 HB2 LEU 40 HB3 LEU 40 -18.076 -13.684 -6.888 305 HB3 LEU 40 HB2 LEU 40 -16.708 -14.741 -7.197 306 HG LEU 40 HG LEU 40 -19.152 -15.598 -5.681 307 HD11 LEU 40 HD11 LEU 40 -18.475 -15.896 -8.578 308 HD12 LEU 40 HD12 LEU 40 -19.872 -15.085 -7.877 309 HD13 LEU 40 HD13 LEU 40 -19.714 -16.837 -7.753 310 HD21 LEU 40 HD21 LEU 40 -17.293 -16.940 -5.105 311 HD22 LEU 40 HD22 LEU 40 -16.783 -17.059 -6.787 312 HD23 LEU 40 HD23 LEU 40 -18.265 -17.861 -6.254 313 H THR 41 H THR 41 -14.546 -13.787 -4.413 314 HA THR 41 HA THR 41 -14.509 -10.913 -4.647 315 HB THR 41 HB THR 41 -12.179 -11.111 -3.852 316 HG1 THR 41 HG1 THR 41 -11.227 -12.943 -4.369 317 HG21 THR 41 HG21 THR 41 -14.103 -12.858 -2.304 318 HG22 THR 41 HG22 THR 41 -14.015 -11.097 -2.218 319 HG23 THR 41 HG23 THR 41 -12.659 -12.074 -1.655 320 H ASP 42 H ASP 42 -13.836 -13.600 -6.602 321 HA ASP 42 HA ASP 42 -12.905 -11.879 -8.753 322 HB2 ASP 42 HB3 ASP 42 -10.840 -12.678 -7.724 323 HB3 ASP 42 HB2 ASP 42 -11.397 -14.338 -7.847 324 H CYS 43 H CYS 43 -14.569 -12.264 -10.105 325 HA CYS 43 HA CYS 43 -15.126 -15.084 -10.716 326 HB2 CYS 43 HB3 CYS 43 -17.343 -14.281 -11.556 327 HB3 CYS 43 HB2 CYS 43 -17.107 -14.031 -9.832 328 HG CYS 43 HG CYS 43 -16.161 -11.260 -10.587 329 H VAL 44 H VAL 44 -14.767 -15.793 -12.749 330 HA VAL 44 HA VAL 44 -14.632 -13.946 -14.960 331 HB VAL 44 HB VAL 44 -12.404 -13.607 -14.088 332 HG11 VAL 44 HG11 VAL 44 -10.781 -15.433 -13.886 333 HG12 VAL 44 HG12 VAL 44 -12.050 -16.597 -14.267 334 HG13 VAL 44 HG13 VAL 44 -12.146 -15.642 -12.788 335 HG21 VAL 44 HG21 VAL 44 -12.353 -15.375 -16.530 336 HG22 VAL 44 HG22 VAL 44 -11.065 -14.279 -16.029 337 HG23 VAL 44 HG23 VAL 44 -12.637 -13.634 -16.504 338 H VAL 45 H VAL 45 -15.459 -14.919 -16.654 339 HA VAL 45 HA VAL 45 -15.426 -17.857 -16.786 340 HB VAL 45 HB VAL 45 -17.074 -15.825 -18.312 341 HG11 VAL 45 HG11 VAL 45 -16.560 -17.745 -19.730 342 HG12 VAL 45 HG12 VAL 45 -18.266 -17.726 -19.277 343 HG13 VAL 45 HG13 VAL 45 -17.153 -18.835 -18.477 344 HG21 VAL 45 HG21 VAL 45 -17.871 -17.877 -16.255 345 HG22 VAL 45 HG22 VAL 45 -18.959 -16.775 -17.097 346 HG23 VAL 45 HG23 VAL 45 -17.749 -16.138 -15.983 347 H MET 46 H MET 46 -14.568 -18.932 -18.578 348 HA MET 46 HA MET 46 -12.661 -17.379 -20.124 349 HB2 MET 46 HB3 MET 46 -13.225 -20.348 -20.154 350 HB3 MET 46 HB2 MET 46 -11.908 -19.539 -20.995 351 HG2 MET 46 HG3 MET 46 -12.303 -19.677 -18.020 352 HG3 MET 46 HG2 MET 46 -11.121 -20.583 -18.965 353 HE1 MET 46 HE1 MET 46 -9.301 -19.742 -17.268 354 HE2 MET 46 HE2 MET 46 -10.486 -18.764 -16.397 355 HE3 MET 46 HE3 MET 46 -8.970 -18.041 -16.933 356 H ARG 47 H ARG 47 -12.917 -16.797 -22.177 357 HA ARG 47 HA ARG 47 -15.375 -17.727 -23.502 358 HB2 ARG 47 HB3 ARG 47 -13.915 -15.087 -23.769 359 HB3 ARG 47 HB2 ARG 47 -15.188 -15.599 -24.867 360 HG2 ARG 47 HG3 ARG 47 -16.245 -14.174 -23.359 361 HG3 ARG 47 HG2 ARG 47 -16.668 -15.792 -22.805 362 HD2 ARG 47 HD3 ARG 47 -16.104 -14.385 -20.920 363 HD3 ARG 47 HD2 ARG 47 -14.896 -15.655 -21.111 364 HE ARG 47 HE ARG 47 -13.676 -13.727 -22.404 365 HH11 ARG 47 HH11 ARG 47 -15.551 -13.430 -19.446 366 HH12 ARG 47 HH12 ARG 47 -14.589 -12.122 -18.830 367 HH21 ARG 47 HH21 ARG 47 -12.414 -12.020 -21.574 368 HH22 ARG 47 HH22 ARG 47 -12.817 -11.322 -20.037 369 H ASP 48 H ASP 48 -15.319 -18.298 -25.626 370 HA ASP 48 HA ASP 48 -13.131 -19.762 -26.488 371 HB2 ASP 48 HB3 ASP 48 -15.572 -19.871 -27.274 372 HB3 ASP 48 HB2 ASP 48 -15.152 -18.543 -28.347 373 HA PRO 49 HA PRO 49 -10.354 -16.692 -28.083 374 HB2 PRO 49 HB3 PRO 49 -8.995 -18.282 -29.850 375 HB3 PRO 49 HB2 PRO 49 -8.698 -18.269 -28.109 376 HG2 PRO 49 HG3 PRO 49 -10.323 -20.177 -29.742 377 HG3 PRO 49 HG2 PRO 49 -9.206 -20.515 -28.405 378 HD2 PRO 49 HD3 PRO 49 -11.878 -20.488 -28.068 379 HD3 PRO 49 HD2 PRO 49 -10.765 -19.939 -26.797 380 H ASN 50 H ASN 50 -12.617 -18.453 -29.964 381 HA ASN 50 HA ASN 50 -12.166 -16.723 -32.301 382 HB2 ASN 50 HB3 ASN 50 -13.950 -19.147 -32.285 383 HB3 ASN 50 HB2 ASN 50 -13.166 -18.370 -33.655 384 HD21 ASN 50 HD21 ASN 50 -12.773 -20.477 -30.931 385 HD22 ASN 50 HD22 ASN 50 -11.260 -21.180 -31.440 386 H THR 51 H THR 51 -14.878 -18.310 -30.603 387 HA THR 51 HA THR 51 -16.787 -16.527 -31.743 388 HB THR 51 HB THR 51 -18.451 -17.702 -30.517 389 HG1 THR 51 HG1 THR 51 -17.446 -19.352 -28.890 390 HG21 THR 51 HG21 THR 51 -16.218 -19.643 -31.128 391 HG22 THR 51 HG22 THR 51 -17.381 -19.012 -32.295 392 HG23 THR 51 HG23 THR 51 -17.928 -20.048 -30.977 393 H LYS 52 H LYS 52 -15.051 -16.666 -28.716 394 HA LYS 52 HA LYS 52 -14.784 -15.199 -27.013 395 HB2 LYS 52 HB3 LYS 52 -16.108 -13.239 -28.900 396 HB3 LYS 52 HB2 LYS 52 -15.281 -12.810 -27.411 397 HG2 LYS 52 HG3 LYS 52 -14.006 -14.125 -29.803 398 HG3 LYS 52 HG2 LYS 52 -13.890 -12.416 -29.380 399 HD2 LYS 52 HD3 LYS 52 -12.934 -14.701 -27.657 400 HD3 LYS 52 HD2 LYS 52 -11.902 -13.718 -28.694 401 HE2 LYS 52 HE3 LYS 52 -13.586 -12.639 -26.436 402 HE3 LYS 52 HE2 LYS 52 -11.874 -13.034 -26.303 403 HZ1 LYS 52 HZ1 LYS 52 -12.241 -10.670 -26.700 404 HZ2 LYS 52 HZ2 LYS 52 -13.028 -11.020 -28.160 405 HZ3 LYS 52 HZ3 LYS 52 -11.381 -11.381 -27.978 406 H ARG 53 H ARG 53 -17.246 -16.830 -27.240 407 HA ARG 53 HA ARG 53 -18.996 -15.138 -25.576 408 HB2 ARG 53 HB3 ARG 53 -19.598 -17.448 -27.365 409 HB3 ARG 53 HB2 ARG 53 -20.608 -17.201 -25.948 410 HG2 ARG 53 HG3 ARG 53 -21.756 -16.052 -27.574 411 HG3 ARG 53 HG2 ARG 53 -20.806 -14.771 -26.822 412 HD2 ARG 53 HD3 ARG 53 -20.570 -14.428 -29.127 413 HD3 ARG 53 HD2 ARG 53 -19.074 -15.217 -28.628 414 HE ARG 53 HE ARG 53 -20.663 -17.284 -29.397 415 HH11 ARG 53 HH11 ARG 53 -19.567 -14.337 -30.926 416 HH12 ARG 53 HH12 ARG 53 -19.717 -14.960 -32.540 417 HH21 ARG 53 HH21 ARG 53 -20.866 -18.117 -31.513 418 HH22 ARG 53 HH22 ARG 53 -20.475 -17.110 -32.877 419 H SER 54 H SER 54 -18.250 -18.626 -25.773 420 HA SER 54 HA SER 54 -17.363 -18.569 -23.014 421 HB2 SER 54 HB3 SER 54 -19.768 -18.867 -22.740 422 HB3 SER 54 HB2 SER 54 -19.757 -20.209 -23.883 423 HG SER 54 HG SER 54 -19.743 -20.903 -21.686 424 H ARG 55 H ARG 55 -16.094 -20.309 -22.454 425 HA ARG 55 HA ARG 55 -15.348 -22.102 -24.652 426 HB2 ARG 55 HB3 ARG 55 -13.936 -21.134 -22.195 427 HB3 ARG 55 HB2 ARG 55 -13.435 -22.626 -22.959 428 HG2 ARG 55 HG3 ARG 55 -13.228 -21.304 -25.104 429 HG3 ARG 55 HG2 ARG 55 -13.411 -19.861 -24.107 430 HD2 ARG 55 HD3 ARG 55 -11.077 -20.239 -24.427 431 HD3 ARG 55 HD2 ARG 55 -11.463 -20.643 -22.754 432 HE ARG 55 HE ARG 55 -11.679 -23.014 -24.113 433 HH11 ARG 55 HH11 ARG 55 -9.144 -20.613 -23.742 434 HH12 ARG 55 HH12 ARG 55 -7.861 -21.780 -23.874 435 HH21 ARG 55 HH21 ARG 55 -9.993 -24.541 -24.246 436 HH22 ARG 55 HH22 ARG 55 -8.342 -24.009 -24.153 437 H GLY 56 H GLY 56 -17.456 -22.079 -22.198 438 HA2 GLY 56 HA3 GLY 56 -18.737 -23.886 -21.465 439 HA3 GLY 56 HA2 GLY 56 -17.507 -24.982 -22.077 440 H PHE 57 H PHE 57 -16.224 -22.480 -20.177 441 HA PHE 57 HA PHE 57 -16.668 -23.664 -17.620 442 HB2 PHE 57 HB3 PHE 57 -14.243 -24.164 -17.162 443 HB3 PHE 57 HB2 PHE 57 -15.043 -25.284 -18.251 444 HD1 PHE 57 HD1 PHE 57 -12.672 -22.452 -18.095 445 HD2 PHE 57 HD2 PHE 57 -14.273 -25.628 -20.411 446 HE1 PHE 57 HE1 PHE 57 -10.895 -22.118 -19.764 447 HE2 PHE 57 HE2 PHE 57 -12.511 -25.293 -22.101 448 HZ PHE 57 HZ PHE 57 -10.816 -23.538 -21.776 449 H GLY 58 H GLY 58 -15.656 -22.511 -15.883 450 HA2 GLY 58 HA3 GLY 58 -14.339 -19.995 -16.486 451 HA3 GLY 58 HA2 GLY 58 -15.966 -19.848 -15.831 452 H PHE 59 H PHE 59 -14.393 -18.670 -14.222 453 HA PHE 59 HA PHE 59 -13.845 -20.590 -12.068 454 HB2 PHE 59 HB3 PHE 59 -11.984 -18.430 -13.052 455 HB3 PHE 59 HB2 PHE 59 -11.805 -19.217 -11.490 456 HD1 PHE 59 HD1 PHE 59 -11.066 -21.501 -11.325 457 HD2 PHE 59 HD2 PHE 59 -11.514 -19.618 -15.111 458 HE1 PHE 59 HE1 PHE 59 -9.763 -23.305 -12.372 459 HE2 PHE 59 HE2 PHE 59 -10.217 -21.421 -16.168 460 HZ PHE 59 HZ PHE 59 -9.340 -23.267 -14.796 461 H VAL 60 H VAL 60 -13.919 -19.747 -9.979 462 HA VAL 60 HA VAL 60 -14.981 -17.075 -9.546 463 HB VAL 60 HB VAL 60 -16.819 -18.298 -8.076 464 HG11 VAL 60 HG11 VAL 60 -17.191 -16.533 -9.685 465 HG12 VAL 60 HG12 VAL 60 -18.412 -17.801 -9.835 466 HG13 VAL 60 HG13 VAL 60 -17.091 -17.706 -11.000 467 HG21 VAL 60 HG21 VAL 60 -17.850 -20.123 -9.360 468 HG22 VAL 60 HG22 VAL 60 -16.266 -20.547 -8.719 469 HG23 VAL 60 HG23 VAL 60 -16.442 -20.135 -10.422 470 H THR 61 H THR 61 -13.763 -16.342 -8.016 471 HA THR 61 HA THR 61 -12.597 -18.165 -6.056 472 HB THR 61 HB THR 61 -12.000 -15.227 -6.309 473 HG1 THR 61 HG1 THR 61 -11.598 -15.864 -8.356 474 HG21 THR 61 HG21 THR 61 -10.337 -17.605 -5.468 475 HG22 THR 61 HG22 THR 61 -11.055 -16.409 -4.388 476 HG23 THR 61 HG23 THR 61 -9.785 -15.931 -5.517 477 H TYR 62 H TYR 62 -13.684 -18.445 -4.224 478 HA TYR 62 HA TYR 62 -15.611 -16.503 -3.308 479 HB2 TYR 62 HB3 TYR 62 -14.679 -19.171 -2.272 480 HB3 TYR 62 HB2 TYR 62 -15.764 -18.148 -1.340 481 HD1 TYR 62 HD1 TYR 62 -18.044 -17.862 -1.964 482 HD2 TYR 62 HD2 TYR 62 -15.449 -20.186 -4.402 483 HE1 TYR 62 HE1 TYR 62 -19.990 -18.781 -3.146 484 HE2 TYR 62 HE2 TYR 62 -17.391 -21.115 -5.591 485 HH TYR 62 HH TYR 62 -20.567 -19.828 -5.180 486 H ALA 63 H ALA 63 -15.600 -15.881 -0.939 487 HA ALA 63 HA ALA 63 -13.230 -14.338 -0.506 488 HB1 ALA 63 HB1 ALA 63 -15.464 -13.503 0.074 489 HB2 ALA 63 HB2 ALA 63 -14.381 -13.495 1.468 490 HB3 ALA 63 HB3 ALA 63 -15.605 -14.755 1.310 491 H THR 64 H THR 64 -14.600 -17.267 0.808 492 HA THR 64 HA THR 64 -12.013 -17.872 2.006 493 HB THR 64 HB THR 64 -13.089 -17.070 3.958 494 HG1 THR 64 HG1 THR 64 -12.184 -18.963 4.555 495 HG21 THR 64 HG21 THR 64 -15.324 -17.677 4.663 496 HG22 THR 64 HG22 THR 64 -15.511 -18.722 3.255 497 HG23 THR 64 HG23 THR 64 -15.381 -16.974 3.045 498 H VAL 65 H VAL 65 -11.656 -20.105 2.296 499 HA VAL 65 HA VAL 65 -12.601 -21.805 0.326 500 HB VAL 65 HB VAL 65 -11.571 -23.634 1.565 501 HG11 VAL 65 HG11 VAL 65 -9.310 -22.693 1.792 502 HG12 VAL 65 HG12 VAL 65 -9.993 -21.069 1.715 503 HG13 VAL 65 HG13 VAL 65 -10.117 -22.145 0.323 504 HG21 VAL 65 HG21 VAL 65 -10.606 -23.285 3.787 505 HG22 VAL 65 HG22 VAL 65 -12.358 -23.083 3.811 506 HG23 VAL 65 HG23 VAL 65 -11.307 -21.667 3.840 507 H GLU 66 H GLU 66 -13.961 -21.048 3.422 508 HA GLU 66 HA GLU 66 -15.595 -23.229 3.939 509 HB2 GLU 66 HB3 GLU 66 -16.338 -20.334 4.364 510 HB3 GLU 66 HB2 GLU 66 -16.945 -21.723 5.252 511 HG2 GLU 66 HG3 GLU 66 -14.723 -22.102 6.179 512 HG3 GLU 66 HG2 GLU 66 -14.112 -20.716 5.282 513 H GLU 67 H GLU 67 -16.152 -20.424 1.887 514 HA GLU 67 HA GLU 67 -18.859 -21.054 1.285 515 HB2 GLU 67 HB3 GLU 67 -17.058 -19.315 -0.378 516 HB3 GLU 67 HB2 GLU 67 -18.799 -19.193 -0.160 517 HG2 GLU 67 HG3 GLU 67 -18.403 -18.603 2.214 518 HG3 GLU 67 HG2 GLU 67 -16.676 -18.585 1.870 519 H VAL 68 H VAL 68 -15.763 -21.657 -0.231 520 HA VAL 68 HA VAL 68 -16.613 -22.766 -2.652 521 HB VAL 68 HB VAL 68 -14.201 -23.384 -0.943 522 HG11 VAL 68 HG11 VAL 68 -14.872 -24.408 -3.695 523 HG12 VAL 68 HG12 VAL 68 -14.623 -25.364 -2.237 524 HG13 VAL 68 HG13 VAL 68 -13.271 -24.495 -2.963 525 HG21 VAL 68 HG21 VAL 68 -14.293 -21.146 -1.914 526 HG22 VAL 68 HG22 VAL 68 -14.531 -21.849 -3.515 527 HG23 VAL 68 HG23 VAL 68 -13.013 -22.108 -2.654 528 H ASP 69 H ASP 69 -15.991 -24.330 0.479 529 HA ASP 69 HA ASP 69 -16.761 -26.924 -0.216 530 HB2 ASP 69 HB3 ASP 69 -16.836 -25.445 2.408 531 HB3 ASP 69 HB2 ASP 69 -17.342 -27.126 2.271 532 H ALA 70 H ALA 70 -18.694 -24.231 1.030 533 HA ALA 70 HA ALA 70 -21.134 -25.562 1.257 534 HB1 ALA 70 HB1 ALA 70 -20.675 -22.672 0.535 535 HB2 ALA 70 HB2 ALA 70 -20.715 -23.333 2.170 536 HB3 ALA 70 HB3 ALA 70 -22.169 -23.363 1.172 537 H ALA 71 H ALA 71 -19.666 -23.956 -1.534 538 HA ALA 71 HA ALA 71 -21.902 -24.283 -3.254 539 HB1 ALA 71 HB1 ALA 71 -18.995 -23.906 -3.963 540 HB2 ALA 71 HB2 ALA 71 -20.163 -22.616 -3.671 541 HB3 ALA 71 HB3 ALA 71 -20.365 -23.694 -5.052 542 H MET 72 H MET 72 -19.050 -26.255 -2.566 543 HA MET 72 HA MET 72 -19.493 -28.128 -4.666 544 HB2 MET 72 HB3 MET 72 -17.985 -28.498 -2.070 545 HB3 MET 72 HB2 MET 72 -17.934 -29.597 -3.437 546 HG2 MET 72 HG3 MET 72 -17.043 -27.601 -4.774 547 HG3 MET 72 HG2 MET 72 -16.798 -26.839 -3.206 548 HE1 MET 72 HE1 MET 72 -14.196 -26.643 -4.044 549 HE2 MET 72 HE2 MET 72 -14.544 -27.588 -5.493 550 HE3 MET 72 HE3 MET 72 -13.212 -28.055 -4.434 551 H ASN 73 H ASN 73 -20.663 -27.806 -1.401 552 HA ASN 73 HA ASN 73 -21.685 -30.498 -1.236 553 HB2 ASN 73 HB3 ASN 73 -22.133 -28.093 0.544 554 HB3 ASN 73 HB2 ASN 73 -22.673 -29.727 0.907 555 HD21 ASN 73 HD21 ASN 73 -20.798 -27.888 2.270 556 HD22 ASN 73 HD22 ASN 73 -19.318 -28.780 2.437 557 H ALA 74 H ALA 74 -22.742 -27.668 -2.698 558 HA ALA 74 HA ALA 74 -25.577 -28.176 -2.249 559 HB1 ALA 74 HB1 ALA 74 -24.214 -25.965 -3.777 560 HB2 ALA 74 HB2 ALA 74 -24.763 -25.878 -2.101 561 HB3 ALA 74 HB3 ALA 74 -25.935 -26.063 -3.408 562 H ARG 75 H ARG 75 -23.517 -29.669 -4.110 563 HA ARG 75 HA ARG 75 -24.664 -29.377 -6.717 564 HB2 ARG 75 HB3 ARG 75 -22.794 -31.444 -5.562 565 HB3 ARG 75 HB2 ARG 75 -23.273 -31.386 -7.254 566 HG2 ARG 75 HG3 ARG 75 -22.306 -29.126 -7.417 567 HG3 ARG 75 HG2 ARG 75 -21.757 -29.268 -5.746 568 HD2 ARG 75 HD3 ARG 75 -20.988 -31.158 -7.960 569 HD3 ARG 75 HD2 ARG 75 -20.012 -29.786 -7.443 570 HE ARG 75 HE ARG 75 -20.575 -31.367 -5.200 571 HH11 ARG 75 HH11 ARG 75 -18.871 -31.682 -8.237 572 HH12 ARG 75 HH12 ARG 75 -17.576 -32.635 -7.565 573 HH21 ARG 75 HH21 ARG 75 -18.905 -32.654 -4.311 574 HH22 ARG 75 HH22 ARG 75 -17.607 -33.202 -5.330 575 HA PRO 76 HA PRO 76 -24.667 -31.276 -8.566 576 HB2 PRO 76 HB3 PRO 76 -27.366 -31.234 -9.748 577 HB3 PRO 76 HB2 PRO 76 -25.969 -32.228 -10.170 578 HG2 PRO 76 HG3 PRO 76 -28.111 -33.262 -8.927 579 HG3 PRO 76 HG2 PRO 76 -26.465 -33.835 -8.591 580 HD2 PRO 76 HD3 PRO 76 -28.189 -31.973 -6.997 581 HD3 PRO 76 HD2 PRO 76 -27.124 -33.280 -6.440 582 H HIS 77 H HIS 77 -24.079 -29.357 -9.247 583 HA HIS 77 HA HIS 77 -25.550 -27.008 -8.447 584 HB2 HIS 77 HB3 HIS 77 -22.968 -27.391 -8.521 585 HB3 HIS 77 HB2 HIS 77 -23.130 -26.974 -10.225 586 HD2 HIS 77 HD2 HIS 77 -22.527 -25.287 -6.959 587 HE1 HIS 77 HE1 HIS 77 -24.161 -22.342 -9.533 588 HE2 HIS 77 HE2 HIS 77 -22.844 -22.748 -7.401 589 H LYS 78 H LYS 78 -26.397 -25.423 -9.849 590 HA LYS 78 HA LYS 78 -26.778 -26.249 -12.647 591 HB2 LYS 78 HB3 LYS 78 -28.790 -26.877 -11.421 592 HB3 LYS 78 HB2 LYS 78 -28.914 -25.259 -10.747 593 HG2 LYS 78 HG3 LYS 78 -30.509 -25.397 -12.472 594 HG3 LYS 78 HG2 LYS 78 -29.186 -24.413 -13.092 595 HD2 LYS 78 HD3 LYS 78 -29.809 -25.888 -14.837 596 HD3 LYS 78 HD2 LYS 78 -28.294 -26.505 -14.181 597 HE2 LYS 78 HE3 LYS 78 -29.390 -28.253 -13.037 598 HE3 LYS 78 HE2 LYS 78 -30.974 -27.517 -13.277 599 HZ1 LYS 78 HZ1 LYS 78 -30.534 -29.432 -14.749 600 HZ2 LYS 78 HZ2 LYS 78 -29.275 -28.566 -15.480 601 HZ3 LYS 78 HZ3 LYS 78 -30.869 -28.006 -15.602 602 H VAL 79 H VAL 79 -25.837 -24.724 -13.836 603 HA VAL 79 HA VAL 79 -26.310 -21.896 -13.131 604 HB VAL 79 HB VAL 79 -23.805 -23.059 -14.359 605 HG11 VAL 79 HG11 VAL 79 -22.903 -20.780 -14.238 606 HG12 VAL 79 HG12 VAL 79 -24.475 -20.196 -13.691 607 HG13 VAL 79 HG13 VAL 79 -24.301 -20.873 -15.310 608 HG21 VAL 79 HG21 VAL 79 -24.264 -21.801 -11.670 609 HG22 VAL 79 HG22 VAL 79 -22.694 -22.265 -12.330 610 HG23 VAL 79 HG23 VAL 79 -23.909 -23.499 -11.996 611 H ASP 80 H ASP 80 -27.522 -20.935 -14.604 612 HA ASP 80 HA ASP 80 -28.467 -20.283 -16.564 613 HB2 ASP 80 HB3 ASP 80 -26.023 -20.029 -17.226 614 HB3 ASP 80 HB2 ASP 80 -26.150 -21.610 -17.985 615 H GLY 81 H GLY 81 -28.972 -22.945 -15.381 616 HA2 GLY 81 HA3 GLY 81 -30.464 -24.646 -15.934 617 HA3 GLY 81 HA2 GLY 81 -30.452 -24.078 -17.596 618 H ARG 82 H ARG 82 -27.337 -24.416 -16.487 619 HA ARG 82 HA ARG 82 -27.081 -27.074 -17.728 620 HB2 ARG 82 HB3 ARG 82 -25.948 -25.488 -19.088 621 HB3 ARG 82 HB2 ARG 82 -25.258 -24.669 -17.695 622 HG2 ARG 82 HG3 ARG 82 -23.519 -25.871 -18.752 623 HG3 ARG 82 HG2 ARG 82 -23.908 -26.718 -17.258 624 HD2 ARG 82 HD3 ARG 82 -25.361 -28.247 -18.637 625 HD3 ARG 82 HD2 ARG 82 -24.658 -27.490 -20.068 626 HE ARG 82 HE ARG 82 -22.857 -28.644 -18.074 627 HH11 ARG 82 HH11 ARG 82 -24.298 -28.829 -21.275 628 HH12 ARG 82 HH12 ARG 82 -23.164 -30.025 -21.834 629 HH21 ARG 82 HH21 ARG 82 -21.397 -30.212 -18.809 630 HH22 ARG 82 HH22 ARG 82 -21.506 -30.795 -20.450 631 H VAL 83 H VAL 83 -26.462 -28.675 -16.414 632 HA VAL 83 HA VAL 83 -25.635 -28.214 -13.721 633 HB VAL 83 HB VAL 83 -25.441 -30.770 -15.333 634 HG11 VAL 83 HG11 VAL 83 -25.392 -31.887 -13.145 635 HG12 VAL 83 HG12 VAL 83 -25.356 -30.313 -12.352 636 HG13 VAL 83 HG13 VAL 83 -24.008 -30.817 -13.370 637 HG21 VAL 83 HG21 VAL 83 -27.617 -29.813 -13.476 638 HG22 VAL 83 HG22 VAL 83 -27.535 -31.404 -14.231 639 HG23 VAL 83 HG23 VAL 83 -27.735 -29.964 -15.229 640 H VAL 84 H VAL 84 -23.707 -27.516 -13.155 641 HA VAL 84 HA VAL 84 -21.414 -28.033 -14.918 642 HB VAL 84 HB VAL 84 -20.315 -26.153 -13.862 643 HG11 VAL 84 HG11 VAL 84 -21.784 -25.653 -15.728 644 HG12 VAL 84 HG12 VAL 84 -21.808 -24.335 -14.555 645 HG13 VAL 84 HG13 VAL 84 -23.153 -25.477 -14.627 646 HG21 VAL 84 HG21 VAL 84 -22.773 -25.906 -12.125 647 HG22 VAL 84 HG22 VAL 84 -21.417 -24.779 -12.165 648 HG23 VAL 84 HG23 VAL 84 -21.175 -26.429 -11.592 649 H GLU 85 H GLU 85 -19.280 -28.135 -13.676 650 HA GLU 85 HA GLU 85 -19.607 -29.625 -11.161 651 HB2 GLU 85 HB3 GLU 85 -19.016 -31.200 -12.958 652 HB3 GLU 85 HB2 GLU 85 -17.598 -30.231 -13.344 653 HG2 GLU 85 HG3 GLU 85 -16.660 -30.699 -11.149 654 HG3 GLU 85 HG2 GLU 85 -18.093 -31.633 -10.725 655 HA PRO 86 HA PRO 86 -16.771 -26.314 -10.119 656 HB2 PRO 86 HB3 PRO 86 -17.727 -26.210 -7.498 657 HB3 PRO 86 HB2 PRO 86 -18.311 -25.250 -8.854 658 HG2 PRO 86 HG3 PRO 86 -19.708 -27.284 -7.445 659 HG3 PRO 86 HG2 PRO 86 -20.252 -26.392 -8.872 660 HD2 PRO 86 HD3 PRO 86 -19.083 -29.102 -8.672 661 HD3 PRO 86 HD2 PRO 86 -20.159 -28.421 -9.910 662 H LYS 87 H LYS 87 -14.755 -27.065 -9.928 663 HA LYS 87 HA LYS 87 -14.122 -28.790 -7.615 664 HB2 LYS 87 HB3 LYS 87 -12.776 -28.749 -10.327 665 HB3 LYS 87 HB2 LYS 87 -12.276 -29.732 -8.958 666 HG2 LYS 87 HG3 LYS 87 -14.414 -30.920 -9.031 667 HG3 LYS 87 HG2 LYS 87 -14.906 -29.938 -10.411 668 HD2 LYS 87 HD3 LYS 87 -12.507 -31.766 -10.341 669 HD3 LYS 87 HD2 LYS 87 -14.062 -32.156 -11.079 670 HE2 LYS 87 HE3 LYS 87 -13.802 -30.287 -12.629 671 HE3 LYS 87 HE2 LYS 87 -12.260 -29.872 -11.882 672 HZ1 LYS 87 HZ1 LYS 87 -11.445 -32.090 -12.539 673 HZ2 LYS 87 HZ2 LYS 87 -11.858 -31.123 -13.870 674 HZ3 LYS 87 HZ3 LYS 87 -12.900 -32.363 -13.367 675 H ARG 88 H ARG 88 -11.963 -28.475 -6.716 676 HA ARG 88 HA ARG 88 -11.259 -25.788 -6.316 677 HB2 ARG 88 HB3 ARG 88 -10.533 -28.236 -5.224 678 HB3 ARG 88 HB2 ARG 88 -9.042 -27.653 -5.947 679 HG2 ARG 88 HG3 ARG 88 -9.100 -26.944 -3.674 680 HG3 ARG 88 HG2 ARG 88 -9.340 -25.525 -4.696 681 HD2 ARG 88 HD3 ARG 88 -11.726 -25.611 -4.311 682 HD3 ARG 88 HD2 ARG 88 -11.550 -27.096 -3.381 683 HE ARG 88 HE ARG 88 -10.503 -24.465 -2.536 684 HH11 ARG 88 HH11 ARG 88 -11.828 -27.632 -1.809 685 HH12 ARG 88 HH12 ARG 88 -11.958 -27.321 -0.100 686 HH21 ARG 88 HH21 ARG 88 -10.675 -24.065 -0.291 687 HH22 ARG 88 HH22 ARG 88 -11.314 -25.297 0.760 688 H ALA 89 H ALA 89 -9.930 -24.416 -7.383 689 HA ALA 89 HA ALA 89 -9.096 -25.164 -10.014 690 HB1 ALA 89 HB1 ALA 89 -8.401 -22.854 -10.256 691 HB2 ALA 89 HB2 ALA 89 -8.603 -22.594 -8.524 692 HB3 ALA 89 HB3 ALA 89 -10.006 -22.944 -9.533 693 H VAL 90 H VAL 90 -7.100 -25.442 -10.823 694 HA VAL 90 HA VAL 90 -4.893 -25.739 -8.923 695 HB VAL 90 HB VAL 90 -5.127 -26.734 -11.771 696 HG11 VAL 90 HG11 VAL 90 -3.137 -28.061 -11.271 697 HG12 VAL 90 HG12 VAL 90 -3.043 -27.324 -9.670 698 HG13 VAL 90 HG13 VAL 90 -2.811 -26.333 -11.112 699 HG21 VAL 90 HG21 VAL 90 -6.689 -27.875 -10.295 700 HG22 VAL 90 HG22 VAL 90 -5.382 -28.232 -9.165 701 HG23 VAL 90 HG23 VAL 90 -5.380 -28.958 -10.774 702 H SER 91 H SER 91 -3.471 -24.113 -8.820 703 HA SER 91 HA SER 91 -3.606 -21.764 -10.209 704 HB2 SER 91 HB3 SER 91 -2.316 -21.972 -8.164 705 HB3 SER 91 HB2 SER 91 -1.167 -23.046 -8.959 706 HG SER 91 HG SER 91 -0.262 -21.032 -8.969 707 H ARG 92 H ARG 92 -2.686 -20.883 -12.024 708 HA ARG 92 HA ARG 92 -2.177 -22.545 -14.217 709 HB2 ARG 92 HB3 ARG 92 -1.712 -20.582 -15.454 710 HB3 ARG 92 HB2 ARG 92 -2.877 -20.079 -14.236 711 HG2 ARG 92 HG3 ARG 92 -1.221 -19.004 -12.954 712 HG3 ARG 92 HG2 ARG 92 0.084 -19.755 -13.871 713 HD2 ARG 92 HD3 ARG 92 -0.857 -18.523 -15.892 714 HD3 ARG 92 HD2 ARG 92 -1.808 -17.589 -14.737 715 HE ARG 92 HE ARG 92 0.979 -17.663 -14.071 716 HH11 ARG 92 HH11 ARG 92 -1.390 -16.090 -16.110 717 HH12 ARG 92 HH12 ARG 92 -0.504 -14.606 -16.229 718 HH21 ARG 92 HH21 ARG 92 2.183 -15.730 -14.272 719 HH22 ARG 92 HH22 ARG 92 1.551 -14.407 -15.211 720 H GLU 93 H GLU 93 -0.124 -21.359 -11.725 721 HA GLU 93 HA GLU 93 2.385 -21.680 -13.029 722 HB2 GLU 93 HB3 GLU 93 1.752 -21.793 -10.076 723 HB3 GLU 93 HB2 GLU 93 3.319 -21.492 -10.794 724 HG2 GLU 93 HG3 GLU 93 0.910 -19.695 -10.974 725 HG3 GLU 93 HG2 GLU 93 2.314 -19.446 -9.942 726 H ASP 94 H ASP 94 0.216 -23.738 -11.272 727 HA ASP 94 HA ASP 94 2.108 -25.894 -10.937 728 HB2 ASP 94 HB3 ASP 94 -0.805 -25.521 -10.317 729 HB3 ASP 94 HB2 ASP 94 -0.047 -27.104 -10.180 730 H SER 95 H SER 95 -0.567 -25.047 -13.046 731 HA SER 95 HA SER 95 -0.720 -27.620 -14.283 732 HB2 SER 95 HB3 SER 95 -2.096 -26.314 -16.008 733 HB3 SER 95 HB2 SER 95 -2.708 -26.345 -14.353 734 HG SER 95 HG SER 95 -1.971 -24.233 -15.866 735 H GLN 96 H GLN 96 0.222 -28.353 -16.132 736 HA GLN 96 HA GLN 96 2.659 -27.050 -16.863 737 HB2 GLN 96 HB3 GLN 96 2.961 -28.982 -18.406 738 HB3 GLN 96 HB2 GLN 96 2.675 -29.443 -16.735 739 HG2 GLN 96 HG3 GLN 96 0.262 -29.795 -17.375 740 HG3 GLN 96 HG2 GLN 96 0.774 -29.610 -19.052 741 HE21 GLN 96 HE21 GLN 96 2.103 -31.185 -19.982 742 HE22 GLN 96 HE22 GLN 96 2.283 -32.760 -19.274 743 H ARG 97 H ARG 97 -0.366 -27.779 -18.592 744 HA ARG 97 HA ARG 97 0.057 -25.398 -20.204 745 HB2 ARG 97 HB3 ARG 97 -0.189 -28.167 -21.364 746 HB3 ARG 97 HB2 ARG 97 -0.689 -26.748 -22.272 747 HG2 ARG 97 HG3 ARG 97 2.073 -27.336 -21.228 748 HG3 ARG 97 HG2 ARG 97 1.540 -27.385 -22.910 749 HD2 ARG 97 HD3 ARG 97 1.001 -24.960 -22.746 750 HD3 ARG 97 HD2 ARG 97 1.699 -24.957 -21.126 751 HE ARG 97 HE ARG 97 3.330 -25.809 -23.412 752 HH11 ARG 97 HH11 ARG 97 2.696 -23.505 -20.839 753 HH12 ARG 97 HH12 ARG 97 4.237 -22.720 -21.004 754 HH21 ARG 97 HH21 ARG 97 5.343 -24.763 -23.627 755 HH22 ARG 97 HH22 ARG 97 5.745 -23.435 -22.582 756 H5' U 1 H5' U 1 -18.480 -28.624 -20.110 757 H5'' U 1 H5'' U 1 -19.909 -29.233 -20.961 758 H4' U 1 H4' U 1 -17.576 -30.524 -21.989 759 H3' U 1 H3' U 1 -16.493 -28.265 -21.229 760 H2' U 1 H2' U 1 -18.214 -26.744 -21.949 761 HO2' U 1 HO2' U 1 -16.385 -25.996 -23.027 762 H1' U 1 H1' U 1 -18.511 -28.110 -24.646 763 H3 U 1 H3 U 1 -23.223 -27.836 -24.407 764 H5 U 1 H5 U 1 -21.521 -24.488 -22.543 765 H6 U 1 H6 U 1 -19.398 -25.608 -22.628 766 HO5' U 1 HO5' U 1 -18.786 -31.387 -20.571 767 H5' U 2 H5' U 2 -15.423 -28.137 -20.404 768 H5'' U 2 H5'' U 2 -14.641 -26.632 -20.922 769 H4' U 2 H4' U 2 -12.961 -26.820 -19.471 770 H3' U 2 H3' U 2 -12.356 -29.251 -20.501 771 H2' U 2 H2' U 2 -13.831 -30.588 -19.180 772 HO2' U 2 HO2' U 2 -12.590 -31.542 -17.665 773 H1' U 2 H1' U 2 -13.352 -28.779 -16.757 774 H3 U 2 H3 U 2 -16.345 -31.185 -14.460 775 H5 U 2 H5 U 2 -18.263 -30.520 -18.128 776 H6 U 2 H6 U 2 -16.231 -29.508 -18.922 777 H5' A 3 H5' A 3 -10.637 -26.438 -17.708 778 H5'' A 3 H5'' A 3 -11.579 -25.094 -18.382 779 H4' A 3 H4' A 3 -9.820 -23.676 -18.422 780 H3' A 3 H3' A 3 -8.368 -25.281 -19.907 781 H2' A 3 H2' A 3 -8.012 -27.017 -18.233 782 HO2' A 3 HO2' A 3 -5.879 -25.146 -18.255 783 H1' A 3 H1' A 3 -7.211 -24.891 -16.192 784 H8 A 3 H8 A 3 -8.171 -28.413 -16.890 785 H61 A 3 H61 A 3 -8.978 -29.912 -12.335 786 H62 A 3 H62 A 3 -9.138 -29.072 -10.809 787 H2 A 3 H2 A 3 -8.638 -24.700 -11.682 788 H5' G 4 H5' G 4 -8.199 -21.528 -20.054 789 H5'' G 4 H5'' G 4 -7.256 -20.529 -21.174 790 H4' G 4 H4' G 4 -7.739 -19.133 -19.405 791 H3' G 4 H3' G 4 -4.964 -19.827 -19.647 792 H2' G 4 H2' G 4 -4.778 -20.506 -17.366 793 HO2' G 4 HO2' G 4 -3.745 -18.548 -17.133 794 H1' G 4 H1' G 4 -7.258 -18.731 -16.943 795 H8 G 4 H8 G 4 -7.654 -18.529 -14.491 796 H1 G 4 H1 G 4 -6.009 -24.631 -13.393 797 H21 G 4 H21 G 4 -5.065 -24.667 -16.728 798 H22 G 4 H22 G 4 -5.206 -25.548 -15.224 799 H5' G 5 H5' G 5 -5.325 -15.273 -16.782 800 H5'' G 5 H5'' G 5 -5.947 -16.814 -17.403 801 H4' G 5 H4' G 5 -6.627 -15.039 -19.378 802 H3' G 5 H3' G 5 -6.303 -13.403 -17.027 803 H2' G 5 H2' G 5 -8.527 -12.956 -16.475 804 HO2' G 5 HO2' G 5 -9.500 -13.871 -18.967 805 H1' G 5 H1' G 5 -9.823 -15.268 -17.177 806 H8 G 5 H8 G 5 -7.661 -17.384 -15.935 807 H1 G 5 H1 G 5 -8.316 -12.989 -11.319 808 H21 G 5 H21 G 5 -9.611 -10.992 -13.845 809 H22 G 5 H22 G 5 -9.192 -11.146 -12.152 810 H5' U 6 H5' U 6 -6.125 -12.649 -16.430 811 H5'' U 6 H5'' U 6 -6.662 -11.074 -15.813 812 H4' U 6 H4' U 6 -4.640 -10.588 -14.856 813 H3' U 6 H3' U 6 -3.341 -11.711 -17.043 814 H2' U 6 H2' U 6 -3.089 -13.917 -16.209 815 HO2' U 6 HO2' U 6 -1.315 -12.715 -14.349 816 H1' U 6 H1' U 6 -3.080 -12.862 -13.332 817 H3 U 6 H3 U 6 -3.266 -16.909 -11.528 818 H5 U 6 H5 U 6 -5.412 -17.420 -15.104 819 H6 U 6 H6 U 6 -4.969 -15.113 -15.612 820 H5' C 7 H5' C 7 -0.354 -7.628 -18.154 821 H5'' C 7 H5'' C 7 0.482 -8.355 -16.767 822 H4' C 7 H4' C 7 -0.853 -6.034 -16.660 823 H3' C 7 H3' C 7 -0.404 -8.042 -14.454 824 HO3' C 7 HO3' C 7 1.280 -6.931 -14.259 825 H2' C 7 H2' C 7 -1.759 -6.687 -13.035 826 HO2' C 7 HO2' C 7 -2.079 -4.618 -14.886 827 H1' C 7 H1' C 7 -3.594 -5.898 -15.080 828 H41 C 7 H41 C 7 -5.739 -11.384 -12.069 829 H42 C 7 H42 C 7 -7.136 -10.408 -12.459 830 H5 C 7 H5 C 7 -3.473 -10.704 -12.590 831 H6 C 7 H6 C 7 -2.103 -8.995 -13.665 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -18.887 -11.867 1.107 2 H2 ALA 1 H2 ALA 1 -19.350 -12.205 2.704 3 H3 ALA 1 H3 ALA 1 -17.825 -11.527 2.387 4 HA ALA 1 HA ALA 1 -20.430 -10.216 1.869 5 HB1 ALA 1 HB1 ALA 1 -19.970 -10.434 4.262 6 HB2 ALA 1 HB2 ALA 1 -19.868 -8.752 3.736 7 HB3 ALA 1 HB3 ALA 1 -18.394 -9.676 4.027 8 H SER 2 H SER 2 -16.895 -9.903 2.067 9 HA SER 2 HA SER 2 -17.070 -7.956 -0.132 10 HB2 SER 2 HB3 SER 2 -16.548 -6.853 2.091 11 HB3 SER 2 HB2 SER 2 -15.052 -7.786 2.122 12 HG SER 2 HG SER 2 -14.324 -6.087 1.074 13 H LYS 3 H LYS 3 -14.503 -7.684 -0.822 14 HA LYS 3 HA LYS 3 -13.867 -10.257 -1.882 15 HB2 LYS 3 HB3 LYS 3 -12.554 -7.560 -2.085 16 HB3 LYS 3 HB2 LYS 3 -11.807 -9.004 -2.764 17 HG2 LYS 3 HG3 LYS 3 -13.816 -9.389 -4.117 18 HG3 LYS 3 HG2 LYS 3 -14.521 -7.910 -3.467 19 HD2 LYS 3 HD3 LYS 3 -12.823 -6.572 -4.490 20 HD3 LYS 3 HD2 LYS 3 -11.912 -8.006 -4.970 21 HE2 LYS 3 HE3 LYS 3 -13.158 -7.042 -6.851 22 HE3 LYS 3 HE2 LYS 3 -13.702 -8.673 -6.467 23 HZ1 LYS 3 HZ1 LYS 3 -15.056 -6.157 -5.649 24 HZ2 LYS 3 HZ2 LYS 3 -15.584 -7.727 -5.276 25 HZ3 LYS 3 HZ3 LYS 3 -15.564 -7.200 -6.888 26 H SER 4 H SER 4 -13.029 -11.760 -0.731 27 HA SER 4 HA SER 4 -11.641 -12.962 0.569 28 HB2 SER 4 HB3 SER 4 -9.952 -10.453 0.651 29 HB3 SER 4 HB2 SER 4 -9.451 -12.036 1.247 30 HG SER 4 HG SER 4 -9.796 -11.131 -1.384 31 H GLU 5 H GLU 5 -13.006 -13.319 2.229 32 HA GLU 5 HA GLU 5 -13.447 -11.479 4.368 33 HB2 GLU 5 HB3 GLU 5 -13.776 -14.491 4.342 34 HB3 GLU 5 HB2 GLU 5 -14.459 -13.388 5.526 35 HG2 GLU 5 HG3 GLU 5 -15.151 -13.404 2.597 36 HG3 GLU 5 HG2 GLU 5 -16.090 -14.194 3.862 37 H SER 6 H SER 6 -11.619 -10.796 5.366 38 HA SER 6 HA SER 6 -9.632 -10.767 6.448 39 HB2 SER 6 HB3 SER 6 -10.148 -13.697 7.038 40 HB3 SER 6 HB2 SER 6 -9.026 -12.634 7.888 41 HG SER 6 HG SER 6 -11.690 -12.977 8.259 42 HA PRO 7 HA PRO 7 -7.407 -11.726 2.642 43 HB2 PRO 7 HB3 PRO 7 -4.999 -10.832 3.862 44 HB3 PRO 7 HB2 PRO 7 -6.036 -9.941 2.747 45 HG2 PRO 7 HG3 PRO 7 -5.905 -9.830 5.705 46 HG3 PRO 7 HG2 PRO 7 -6.366 -8.570 4.548 47 HD2 PRO 7 HD3 PRO 7 -8.191 -9.815 6.068 48 HD3 PRO 7 HD2 PRO 7 -8.549 -9.338 4.393 49 H LYS 8 H LYS 8 -7.133 -13.837 2.363 50 HA LYS 8 HA LYS 8 -5.629 -15.377 4.360 51 HB2 LYS 8 HB3 LYS 8 -7.985 -16.021 3.773 52 HB3 LYS 8 HB2 LYS 8 -7.409 -16.419 2.161 53 HG2 LYS 8 HG3 LYS 8 -6.210 -18.255 2.899 54 HG3 LYS 8 HG2 LYS 8 -6.147 -17.669 4.564 55 HD2 LYS 8 HD3 LYS 8 -8.668 -18.543 3.163 56 HD3 LYS 8 HD2 LYS 8 -7.709 -19.580 4.220 57 HE2 LYS 8 HE3 LYS 8 -8.060 -18.016 6.070 58 HE3 LYS 8 HE2 LYS 8 -9.011 -16.976 5.013 59 HZ1 LYS 8 HZ1 LYS 8 -10.388 -18.395 6.433 60 HZ2 LYS 8 HZ2 LYS 8 -9.714 -19.777 5.720 61 HZ3 LYS 8 HZ3 LYS 8 -10.646 -18.706 4.791 62 H GLU 9 H GLU 9 -5.666 -14.312 1.097 63 HA GLU 9 HA GLU 9 -3.826 -13.885 -0.183 64 HB2 GLU 9 HB3 GLU 9 -2.390 -14.737 1.810 65 HB3 GLU 9 HB2 GLU 9 -2.255 -16.208 0.863 66 HG2 GLU 9 HG3 GLU 9 -1.428 -13.455 -0.029 67 HG3 GLU 9 HG2 GLU 9 -0.350 -14.726 0.532 68 HA PRO 10 HA PRO 10 -3.196 -17.753 -2.823 69 HB2 PRO 10 HB3 PRO 10 -4.326 -20.143 -2.013 70 HB3 PRO 10 HB2 PRO 10 -2.627 -19.707 -1.815 71 HG2 PRO 10 HG3 PRO 10 -4.866 -19.554 0.148 72 HG3 PRO 10 HG2 PRO 10 -3.182 -20.050 0.400 73 HD2 PRO 10 HD3 PRO 10 -4.038 -17.630 1.150 74 HD3 PRO 10 HD2 PRO 10 -2.416 -17.861 0.467 75 H GLU 11 H GLU 11 -4.497 -17.320 -4.463 76 HA GLU 11 HA GLU 11 -7.361 -17.313 -4.133 77 HB2 GLU 11 HB3 GLU 11 -7.515 -16.387 -6.274 78 HB3 GLU 11 HB2 GLU 11 -6.031 -15.709 -5.621 79 HG2 GLU 11 HG3 GLU 11 -6.067 -18.141 -7.354 80 HG3 GLU 11 HG2 GLU 11 -5.985 -16.511 -8.016 81 H GLN 12 H GLN 12 -4.950 -19.524 -5.085 82 HA GLN 12 HA GLN 12 -6.287 -21.219 -6.823 83 HB2 GLN 12 HB3 GLN 12 -4.018 -21.677 -6.550 84 HB3 GLN 12 HB2 GLN 12 -4.121 -21.646 -4.795 85 HG2 GLN 12 HG3 GLN 12 -5.269 -23.767 -4.787 86 HG3 GLN 12 HG2 GLN 12 -5.309 -23.785 -6.547 87 HE21 GLN 12 HE21 GLN 12 -4.220 -25.750 -6.586 88 HE22 GLN 12 HE22 GLN 12 -2.514 -25.852 -6.280 89 H LEU 13 H LEU 13 -6.079 -21.526 -3.273 90 HA LEU 13 HA LEU 13 -7.814 -23.790 -3.292 91 HB2 LEU 13 HB3 LEU 13 -7.504 -23.869 -0.934 92 HB3 LEU 13 HB2 LEU 13 -5.970 -23.454 -1.667 93 HG LEU 13 HG LEU 13 -6.625 -21.004 -1.071 94 HD11 LEU 13 HD11 LEU 13 -7.970 -20.819 0.956 95 HD12 LEU 13 HD12 LEU 13 -8.317 -22.547 0.891 96 HD13 LEU 13 HD13 LEU 13 -8.920 -21.480 -0.377 97 HD21 LEU 13 HD21 LEU 13 -5.824 -23.022 1.020 98 HD22 LEU 13 HD22 LEU 13 -5.561 -21.280 1.114 99 HD23 LEU 13 HD23 LEU 13 -4.746 -22.231 -0.129 100 H ARG 14 H ARG 14 -8.365 -20.512 -3.485 101 HA ARG 14 HA ARG 14 -11.019 -20.706 -2.252 102 HB2 ARG 14 HB3 ARG 14 -9.476 -18.280 -3.183 103 HB3 ARG 14 HB2 ARG 14 -11.066 -18.247 -2.431 104 HG2 ARG 14 HG3 ARG 14 -10.092 -19.257 -0.404 105 HG3 ARG 14 HG2 ARG 14 -8.499 -19.169 -1.162 106 HD2 ARG 14 HD3 ARG 14 -10.282 -16.784 -0.745 107 HD3 ARG 14 HD2 ARG 14 -9.052 -17.293 0.410 108 HE ARG 14 HE ARG 14 -7.529 -17.058 -1.696 109 HH11 ARG 14 HH11 ARG 14 -10.222 -15.006 -0.822 110 HH12 ARG 14 HH12 ARG 14 -9.521 -13.566 -1.496 111 HH21 ARG 14 HH21 ARG 14 -6.584 -15.157 -2.573 112 HH22 ARG 14 HH22 ARG 14 -7.448 -13.650 -2.488 113 H LYS 15 H LYS 15 -9.531 -21.030 -5.194 114 HA LYS 15 HA LYS 15 -11.736 -19.876 -6.710 115 HB2 LYS 15 HB3 LYS 15 -9.368 -19.486 -7.428 116 HB3 LYS 15 HB2 LYS 15 -9.245 -21.205 -7.776 117 HG2 LYS 15 HG3 LYS 15 -11.133 -20.950 -9.378 118 HG3 LYS 15 HG2 LYS 15 -11.062 -19.209 -9.107 119 HD2 LYS 15 HD3 LYS 15 -8.807 -20.917 -10.158 120 HD3 LYS 15 HD2 LYS 15 -9.848 -19.880 -11.135 121 HE2 LYS 15 HE3 LYS 15 -8.051 -18.942 -8.907 122 HE3 LYS 15 HE2 LYS 15 -7.672 -18.848 -10.626 123 HZ1 LYS 15 HZ1 LYS 15 -9.635 -17.422 -10.903 124 HZ2 LYS 15 HZ2 LYS 15 -8.501 -16.745 -9.848 125 HZ3 LYS 15 HZ3 LYS 15 -9.903 -17.469 -9.232 126 H LEU 16 H LEU 16 -13.313 -21.007 -7.495 127 HA LEU 16 HA LEU 16 -13.221 -23.922 -7.447 128 HB2 LEU 16 HB3 LEU 16 -15.285 -21.845 -7.319 129 HB3 LEU 16 HB2 LEU 16 -15.716 -23.192 -8.348 130 HG LEU 16 HG LEU 16 -15.061 -23.246 -5.403 131 HD11 LEU 16 HD11 LEU 16 -17.329 -22.585 -5.976 132 HD12 LEU 16 HD12 LEU 16 -17.306 -24.165 -5.203 133 HD13 LEU 16 HD13 LEU 16 -17.519 -24.039 -6.950 134 HD21 LEU 16 HD21 LEU 16 -15.475 -25.572 -7.273 135 HD22 LEU 16 HD22 LEU 16 -15.444 -25.675 -5.513 136 HD23 LEU 16 HD23 LEU 16 -14.000 -25.175 -6.391 137 H PHE 17 H PHE 17 -12.993 -25.086 -9.215 138 HA PHE 17 HA PHE 17 -12.905 -23.806 -11.834 139 HB2 PHE 17 HB3 PHE 17 -11.142 -25.420 -11.172 140 HB3 PHE 17 HB2 PHE 17 -12.361 -26.661 -10.991 141 HD1 PHE 17 HD1 PHE 17 -11.773 -28.246 -12.561 142 HD2 PHE 17 HD2 PHE 17 -12.016 -24.163 -13.720 143 HE1 PHE 17 HE1 PHE 17 -11.456 -28.902 -14.903 144 HE2 PHE 17 HE2 PHE 17 -11.697 -24.808 -16.071 145 HZ PHE 17 HZ PHE 17 -11.406 -27.177 -16.671 146 H ILE 18 H ILE 18 -14.722 -23.669 -12.994 147 HA ILE 18 HA ILE 18 -16.899 -25.550 -12.365 148 HB ILE 18 HB ILE 18 -17.197 -22.902 -13.779 149 HG12 ILE 18 HG12 ILE 18 -16.287 -22.388 -11.613 150 HG13 ILE 18 HG13 ILE 18 -18.012 -22.043 -11.573 151 HG21 ILE 18 HG21 ILE 18 -19.016 -24.481 -14.104 152 HG22 ILE 18 HG22 ILE 18 -19.541 -23.129 -13.101 153 HG23 ILE 18 HG23 ILE 18 -19.171 -24.684 -12.358 154 HD11 ILE 18 HD11 ILE 18 -17.298 -23.116 -9.530 155 HD12 ILE 18 HD12 ILE 18 -16.662 -24.482 -10.446 156 HD13 ILE 18 HD13 ILE 18 -18.399 -24.168 -10.422 157 H GLY 19 H GLY 19 -16.558 -27.202 -13.763 158 HA2 GLY 19 HA3 GLY 19 -16.184 -26.500 -16.597 159 HA3 GLY 19 HA2 GLY 19 -15.741 -28.037 -15.874 160 H GLY 20 H GLY 20 -17.518 -27.220 -18.170 161 HA2 GLY 20 HA3 GLY 20 -19.190 -28.500 -19.153 162 HA3 GLY 20 HA2 GLY 20 -19.504 -29.247 -17.596 163 H LEU 21 H LEU 21 -19.537 -25.831 -18.591 164 HA LEU 21 HA LEU 21 -22.345 -25.745 -17.731 165 HB2 LEU 21 HB3 LEU 21 -21.958 -23.241 -17.546 166 HB3 LEU 21 HB2 LEU 21 -21.216 -24.261 -16.333 167 HG LEU 21 HG LEU 21 -19.100 -24.081 -17.853 168 HD11 LEU 21 HD11 LEU 21 -18.916 -22.020 -19.079 169 HD12 LEU 21 HD12 LEU 21 -20.565 -21.578 -18.649 170 HD13 LEU 21 HD13 LEU 21 -20.272 -22.954 -19.711 171 HD21 LEU 21 HD21 LEU 21 -19.262 -23.217 -15.593 172 HD22 LEU 21 HD22 LEU 21 -20.113 -21.789 -16.181 173 HD23 LEU 21 HD23 LEU 21 -18.429 -22.063 -16.636 174 H SER 22 H SER 22 -23.535 -23.819 -18.907 175 HA SER 22 HA SER 22 -23.723 -24.809 -21.579 176 HB2 SER 22 HB3 SER 22 -25.628 -23.276 -21.777 177 HB3 SER 22 HB2 SER 22 -25.714 -24.179 -20.264 178 HG SER 22 HG SER 22 -26.127 -21.891 -20.033 179 H PHE 23 H PHE 23 -23.869 -23.343 -23.471 180 HA PHE 23 HA PHE 23 -21.577 -21.568 -23.533 181 HB2 PHE 23 HB3 PHE 23 -23.541 -22.385 -25.688 182 HB3 PHE 23 HB2 PHE 23 -22.128 -21.367 -25.955 183 HD1 PHE 23 HD1 PHE 23 -23.315 -24.749 -25.279 184 HD2 PHE 23 HD2 PHE 23 -19.898 -22.292 -25.900 185 HE1 PHE 23 HE1 PHE 23 -21.936 -26.759 -25.623 186 HE2 PHE 23 HE2 PHE 23 -18.513 -24.296 -26.246 187 HZ PHE 23 HZ PHE 23 -19.534 -26.534 -26.107 188 H GLU 24 H GLU 24 -24.580 -21.218 -22.432 189 HA GLU 24 HA GLU 24 -24.876 -18.463 -23.398 190 HB2 GLU 24 HB3 GLU 24 -26.865 -20.045 -21.765 191 HB3 GLU 24 HB2 GLU 24 -27.147 -18.544 -22.635 192 HG2 GLU 24 HG3 GLU 24 -26.622 -19.824 -24.749 193 HG3 GLU 24 HG2 GLU 24 -26.700 -21.286 -23.767 194 H THR 25 H THR 25 -23.660 -20.305 -20.905 195 HA THR 25 HA THR 25 -24.175 -18.694 -18.652 196 HB THR 25 HB THR 25 -21.774 -20.456 -19.208 197 HG1 THR 25 HG1 THR 25 -24.082 -21.349 -19.099 198 HG21 THR 25 HG21 THR 25 -22.839 -19.359 -16.601 199 HG22 THR 25 HG22 THR 25 -21.349 -18.863 -17.403 200 HG23 THR 25 HG23 THR 25 -21.507 -20.502 -16.770 201 H THR 26 H THR 26 -23.861 -16.551 -18.976 202 HA THR 26 HA THR 26 -21.236 -15.611 -19.830 203 HB THR 26 HB THR 26 -23.042 -14.418 -20.851 204 HG1 THR 26 HG1 THR 26 -22.392 -12.395 -20.372 205 HG21 THR 26 HG21 THR 26 -24.813 -14.949 -19.278 206 HG22 THR 26 HG22 THR 26 -24.737 -13.208 -19.554 207 HG23 THR 26 HG23 THR 26 -24.079 -13.896 -18.068 208 H ASP 27 H ASP 27 -20.135 -13.988 -18.550 209 HA ASP 27 HA ASP 27 -19.408 -14.991 -16.093 210 HB2 ASP 27 HB3 ASP 27 -19.176 -12.146 -17.084 211 HB3 ASP 27 HB2 ASP 27 -18.303 -12.811 -15.713 212 H GLU 28 H GLU 28 -21.717 -12.417 -16.800 213 HA GLU 28 HA GLU 28 -22.151 -11.658 -14.119 214 HB2 GLU 28 HB3 GLU 28 -24.179 -10.531 -14.987 215 HB3 GLU 28 HB2 GLU 28 -22.730 -10.161 -15.907 216 HG2 GLU 28 HG3 GLU 28 -23.406 -11.737 -17.633 217 HG3 GLU 28 HG2 GLU 28 -24.849 -12.140 -16.704 218 H SER 29 H SER 29 -23.795 -14.012 -16.208 219 HA SER 29 HA SER 29 -25.796 -14.636 -14.261 220 HB2 SER 29 HB3 SER 29 -24.801 -16.316 -16.580 221 HB3 SER 29 HB2 SER 29 -26.303 -16.561 -15.688 222 HG SER 29 HG SER 29 -27.030 -14.551 -16.455 223 H LEU 30 H LEU 30 -22.625 -15.831 -15.096 224 HA LEU 30 HA LEU 30 -22.678 -18.236 -13.641 225 HB2 LEU 30 HB3 LEU 30 -21.030 -17.500 -15.430 226 HB3 LEU 30 HB2 LEU 30 -20.244 -16.544 -14.195 227 HG LEU 30 HG LEU 30 -19.197 -18.787 -14.748 228 HD11 LEU 30 HD11 LEU 30 -19.974 -18.269 -11.887 229 HD12 LEU 30 HD12 LEU 30 -18.606 -17.558 -12.742 230 HD13 LEU 30 HD13 LEU 30 -18.645 -19.293 -12.429 231 HD21 LEU 30 HD21 LEU 30 -20.161 -20.751 -13.663 232 HD22 LEU 30 HD22 LEU 30 -21.231 -20.099 -14.903 233 HD23 LEU 30 HD23 LEU 30 -21.574 -19.800 -13.200 234 H ARG 31 H ARG 31 -21.448 -14.999 -12.773 235 HA ARG 31 HA ARG 31 -20.647 -15.766 -10.181 236 HB2 ARG 31 HB3 ARG 31 -20.044 -13.591 -9.838 237 HB3 ARG 31 HB2 ARG 31 -20.136 -13.579 -11.590 238 HG2 ARG 31 HG3 ARG 31 -22.409 -12.631 -11.434 239 HG3 ARG 31 HG2 ARG 31 -22.235 -12.597 -9.674 240 HD2 ARG 31 HD3 ARG 31 -20.369 -11.185 -11.574 241 HD3 ARG 31 HD2 ARG 31 -21.768 -10.420 -10.823 242 HE ARG 31 HE ARG 31 -20.507 -11.328 -8.672 243 HH11 ARG 31 HH11 ARG 31 -19.208 -9.692 -11.493 244 HH12 ARG 31 HH12 ARG 31 -17.943 -8.899 -10.601 245 HH21 ARG 31 HH21 ARG 31 -18.870 -10.293 -7.506 246 HH22 ARG 31 HH22 ARG 31 -17.755 -9.235 -8.317 247 H SER 32 H SER 32 -23.695 -14.486 -11.440 248 HA SER 32 HA SER 32 -24.916 -13.925 -8.988 249 HB2 SER 32 HB3 SER 32 -26.210 -14.815 -11.576 250 HB3 SER 32 HB2 SER 32 -27.047 -14.056 -10.222 251 HG SER 32 HG SER 32 -25.135 -12.939 -11.980 252 H HIS 33 H HIS 33 -24.712 -16.949 -10.802 253 HA HIS 33 HA HIS 33 -26.514 -18.317 -9.031 254 HB2 HIS 33 HB3 HIS 33 -24.725 -19.259 -11.266 255 HB3 HIS 33 HB2 HIS 33 -25.655 -20.376 -10.274 256 HD2 HIS 33 HD2 HIS 33 -26.280 -17.533 -12.895 257 HE1 HIS 33 HE1 HIS 33 -29.745 -19.922 -12.531 258 HE2 HIS 33 HE2 HIS 33 -28.746 -17.862 -13.618 259 H PHE 34 H PHE 34 -23.147 -17.605 -8.981 260 HA PHE 34 HA PHE 34 -22.691 -19.800 -7.092 261 HB2 PHE 34 HB3 PHE 34 -20.857 -18.233 -8.857 262 HB3 PHE 34 HB2 PHE 34 -20.216 -19.019 -7.418 263 HD1 PHE 34 HD1 PHE 34 -19.966 -21.372 -7.302 264 HD2 PHE 34 HD2 PHE 34 -21.867 -19.584 -10.662 265 HE1 PHE 34 HE1 PHE 34 -19.839 -23.511 -8.507 266 HE2 PHE 34 HE2 PHE 34 -21.743 -21.719 -11.874 267 HZ PHE 34 HZ PHE 34 -20.729 -23.689 -10.796 268 H GLU 35 H GLU 35 -22.976 -16.361 -7.220 269 HA GLU 35 HA GLU 35 -21.623 -15.859 -4.743 270 HB2 GLU 35 HB3 GLU 35 -23.571 -14.188 -6.324 271 HB3 GLU 35 HB2 GLU 35 -22.794 -13.639 -4.845 272 HG2 GLU 35 HG3 GLU 35 -20.594 -13.997 -5.946 273 HG3 GLU 35 HG2 GLU 35 -21.460 -14.364 -7.439 274 H GLN 36 H GLN 36 -24.026 -17.783 -5.084 275 HA GLN 36 HA GLN 36 -25.857 -16.711 -3.097 276 HB2 GLN 36 HB3 GLN 36 -25.853 -19.102 -4.903 277 HB3 GLN 36 HB2 GLN 36 -26.937 -19.038 -3.520 278 HG2 GLN 36 HG3 GLN 36 -28.061 -17.138 -4.368 279 HG3 GLN 36 HG2 GLN 36 -26.814 -16.855 -5.579 280 HE21 GLN 36 HE21 GLN 36 -26.594 -19.605 -6.394 281 HE22 GLN 36 HE22 GLN 36 -28.022 -19.981 -7.290 282 H TRP 37 H TRP 37 -23.215 -18.938 -3.334 283 HA TRP 37 HA TRP 37 -23.722 -19.793 -0.565 284 HB2 TRP 37 HB3 TRP 37 -22.151 -21.199 -2.739 285 HB3 TRP 37 HB2 TRP 37 -22.227 -21.731 -1.065 286 HD1 TRP 37 HD1 TRP 37 -24.417 -22.969 -0.269 287 HE1 TRP 37 HE1 TRP 37 -26.451 -23.932 -1.499 288 HE3 TRP 37 HE3 TRP 37 -23.683 -20.807 -4.830 289 HZ2 TRP 37 HZ2 TRP 37 -27.592 -23.804 -4.071 290 HZ3 TRP 37 HZ3 TRP 37 -25.290 -21.289 -6.624 291 HH2 TRP 37 HH2 TRP 37 -27.200 -22.754 -6.257 292 H GLY 38 H GLY 38 -22.245 -17.437 -1.942 293 HA2 GLY 38 HA3 GLY 38 -20.451 -16.862 0.060 294 HA3 GLY 38 HA2 GLY 38 -19.512 -17.745 -1.131 295 H THR 39 H THR 39 -18.305 -15.689 -1.138 296 HA THR 39 HA THR 39 -19.563 -13.673 -2.898 297 HB THR 39 HB THR 39 -17.380 -13.362 -0.824 298 HG1 THR 39 HG1 THR 39 -19.642 -13.413 -0.121 299 HG21 THR 39 HG21 THR 39 -17.482 -10.941 -1.397 300 HG22 THR 39 HG22 THR 39 -18.462 -11.363 -2.805 301 HG23 THR 39 HG23 THR 39 -16.804 -11.954 -2.670 302 H LEU 40 H LEU 40 -18.728 -13.647 -4.943 303 HA LEU 40 HA LEU 40 -16.202 -15.029 -5.393 304 HB2 LEU 40 HB3 LEU 40 -18.015 -13.803 -7.460 305 HB3 LEU 40 HB2 LEU 40 -16.718 -14.948 -7.734 306 HG LEU 40 HG LEU 40 -19.174 -15.590 -6.140 307 HD11 LEU 40 HD11 LEU 40 -19.899 -15.156 -8.357 308 HD12 LEU 40 HD12 LEU 40 -19.831 -16.906 -8.139 309 HD13 LEU 40 HD13 LEU 40 -18.555 -16.074 -9.028 310 HD21 LEU 40 HD21 LEU 40 -18.395 -17.916 -6.588 311 HD22 LEU 40 HD22 LEU 40 -17.361 -16.971 -5.515 312 HD23 LEU 40 HD23 LEU 40 -16.895 -17.216 -7.198 313 H THR 41 H THR 41 -14.477 -13.863 -5.014 314 HA THR 41 HA THR 41 -14.346 -11.027 -5.405 315 HB THR 41 HB THR 41 -11.992 -11.277 -4.761 316 HG1 THR 41 HG1 THR 41 -11.036 -13.256 -4.626 317 HG21 THR 41 HG21 THR 41 -13.814 -13.033 -3.111 318 HG22 THR 41 HG22 THR 41 -13.680 -11.279 -2.984 319 HG23 THR 41 HG23 THR 41 -12.307 -12.302 -2.558 320 H ASP 42 H ASP 42 -13.616 -13.897 -7.164 321 HA ASP 42 HA ASP 42 -12.929 -12.320 -9.526 322 HB2 ASP 42 HB3 ASP 42 -10.790 -13.003 -8.681 323 HB3 ASP 42 HB2 ASP 42 -11.339 -14.650 -8.450 324 H CYS 43 H CYS 43 -14.806 -12.773 -10.558 325 HA CYS 43 HA CYS 43 -15.345 -15.620 -11.045 326 HB2 CYS 43 HB3 CYS 43 -17.659 -14.858 -11.653 327 HB3 CYS 43 HB2 CYS 43 -17.235 -14.601 -9.963 328 HG CYS 43 HG CYS 43 -16.500 -11.832 -10.580 329 H VAL 44 H VAL 44 -15.248 -16.361 -13.096 330 HA VAL 44 HA VAL 44 -15.511 -14.613 -15.345 331 HB VAL 44 HB VAL 44 -13.244 -13.994 -14.739 332 HG11 VAL 44 HG11 VAL 44 -11.410 -15.617 -14.743 333 HG12 VAL 44 HG12 VAL 44 -12.571 -16.925 -14.964 334 HG13 VAL 44 HG13 VAL 44 -12.590 -15.970 -13.481 335 HG21 VAL 44 HG21 VAL 44 -13.306 -15.783 -17.166 336 HG22 VAL 44 HG22 VAL 44 -12.093 -14.547 -16.833 337 HG23 VAL 44 HG23 VAL 44 -13.773 -14.083 -17.107 338 H VAL 45 H VAL 45 -16.318 -15.722 -16.964 339 HA VAL 45 HA VAL 45 -16.073 -18.644 -16.997 340 HB VAL 45 HB VAL 45 -17.647 -16.832 -18.850 341 HG11 VAL 45 HG11 VAL 45 -18.826 -18.884 -19.494 342 HG12 VAL 45 HG12 VAL 45 -17.754 -19.822 -18.455 343 HG13 VAL 45 HG13 VAL 45 -17.104 -18.980 -19.862 344 HG21 VAL 45 HG21 VAL 45 -18.481 -16.668 -16.572 345 HG22 VAL 45 HG22 VAL 45 -18.587 -18.426 -16.470 346 HG23 VAL 45 HG23 VAL 45 -19.623 -17.544 -17.592 347 H MET 46 H MET 46 -14.732 -19.688 -18.437 348 HA MET 46 HA MET 46 -12.833 -18.089 -19.813 349 HB2 MET 46 HB3 MET 46 -13.325 -21.050 -19.856 350 HB3 MET 46 HB2 MET 46 -12.103 -20.277 -20.852 351 HG2 MET 46 HG3 MET 46 -12.259 -20.226 -17.852 352 HG3 MET 46 HG2 MET 46 -11.106 -21.132 -18.836 353 HE1 MET 46 HE1 MET 46 -9.202 -19.966 -17.276 354 HE2 MET 46 HE2 MET 46 -10.458 -19.047 -16.444 355 HE3 MET 46 HE3 MET 46 -9.051 -18.215 -17.105 356 H ARG 47 H ARG 47 -12.852 -17.302 -21.697 357 HA ARG 47 HA ARG 47 -14.959 -18.095 -23.576 358 HB2 ARG 47 HB3 ARG 47 -14.147 -15.270 -22.831 359 HB3 ARG 47 HB2 ARG 47 -15.280 -15.690 -24.115 360 HG2 ARG 47 HG3 ARG 47 -16.907 -16.408 -22.617 361 HG3 ARG 47 HG2 ARG 47 -15.750 -16.609 -21.303 362 HD2 ARG 47 HD3 ARG 47 -17.114 -14.681 -20.862 363 HD3 ARG 47 HD2 ARG 47 -15.475 -14.151 -21.228 364 HE ARG 47 HE ARG 47 -16.571 -13.895 -23.609 365 HH11 ARG 47 HH11 ARG 47 -17.913 -13.041 -20.475 366 HH12 ARG 47 HH12 ARG 47 -18.869 -11.730 -21.120 367 HH21 ARG 47 HH21 ARG 47 -17.814 -12.168 -24.426 368 HH22 ARG 47 HH22 ARG 47 -18.822 -11.250 -23.352 369 H ASP 48 H ASP 48 -14.472 -17.780 -25.756 370 HA ASP 48 HA ASP 48 -11.878 -18.481 -26.501 371 HB2 ASP 48 HB3 ASP 48 -14.047 -18.700 -27.847 372 HB3 ASP 48 HB2 ASP 48 -13.782 -17.024 -28.310 373 HA PRO 49 HA PRO 49 -9.720 -14.601 -26.407 374 HB2 PRO 49 HB3 PRO 49 -7.628 -15.277 -28.002 375 HB3 PRO 49 HB2 PRO 49 -7.783 -15.822 -26.329 376 HG2 PRO 49 HG3 PRO 49 -8.450 -17.271 -28.864 377 HG3 PRO 49 HG2 PRO 49 -7.607 -17.871 -27.422 378 HD2 PRO 49 HD3 PRO 49 -10.214 -18.389 -27.888 379 HD3 PRO 49 HD2 PRO 49 -9.571 -18.167 -26.247 380 H ASN 50 H ASN 50 -11.035 -16.029 -29.237 381 HA ASN 50 HA ASN 50 -10.412 -13.642 -30.851 382 HB2 ASN 50 HB3 ASN 50 -11.705 -16.162 -31.882 383 HB3 ASN 50 HB2 ASN 50 -10.857 -14.920 -32.794 384 HD21 ASN 50 HD21 ASN 50 -10.539 -17.605 -30.620 385 HD22 ASN 50 HD22 ASN 50 -8.860 -17.949 -30.973 386 H THR 51 H THR 51 -13.065 -15.890 -30.120 387 HA THR 51 HA THR 51 -15.000 -14.064 -31.248 388 HB THR 51 HB THR 51 -16.609 -15.789 -30.972 389 HG1 THR 51 HG1 THR 51 -15.986 -17.715 -29.692 390 HG21 THR 51 HG21 THR 51 -14.937 -16.268 -32.698 391 HG22 THR 51 HG22 THR 51 -15.512 -17.758 -31.950 392 HG23 THR 51 HG23 THR 51 -13.937 -17.098 -31.505 393 H LYS 52 H LYS 52 -13.803 -14.948 -28.127 394 HA LYS 52 HA LYS 52 -14.209 -14.252 -26.024 395 HB2 LYS 52 HB3 LYS 52 -15.542 -12.000 -27.515 396 HB3 LYS 52 HB2 LYS 52 -15.505 -12.060 -25.757 397 HG2 LYS 52 HG3 LYS 52 -13.080 -12.071 -27.535 398 HG3 LYS 52 HG2 LYS 52 -13.723 -10.669 -26.673 399 HD2 LYS 52 HD3 LYS 52 -13.554 -12.383 -24.632 400 HD3 LYS 52 HD2 LYS 52 -12.264 -13.031 -25.645 401 HE2 LYS 52 HE3 LYS 52 -12.475 -10.118 -24.987 402 HE3 LYS 52 HE2 LYS 52 -11.634 -11.251 -23.932 403 HZ1 LYS 52 HZ1 LYS 52 -10.975 -10.794 -26.796 404 HZ2 LYS 52 HZ2 LYS 52 -10.132 -11.794 -25.715 405 HZ3 LYS 52 HZ3 LYS 52 -10.139 -10.118 -25.487 406 H ARG 53 H ARG 53 -15.992 -16.087 -27.427 407 HA ARG 53 HA ARG 53 -18.470 -15.712 -25.903 408 HB2 ARG 53 HB3 ARG 53 -17.770 -17.187 -28.378 409 HB3 ARG 53 HB2 ARG 53 -18.954 -17.949 -27.325 410 HG2 ARG 53 HG3 ARG 53 -20.049 -16.617 -29.022 411 HG3 ARG 53 HG2 ARG 53 -20.335 -15.936 -27.421 412 HD2 ARG 53 HD3 ARG 53 -18.411 -14.371 -27.877 413 HD3 ARG 53 HD2 ARG 53 -18.450 -14.945 -29.545 414 HE ARG 53 HE ARG 53 -20.984 -14.198 -29.212 415 HH11 ARG 53 HH11 ARG 53 -17.979 -12.570 -28.461 416 HH12 ARG 53 HH12 ARG 53 -18.673 -10.976 -28.528 417 HH21 ARG 53 HH21 ARG 53 -21.904 -12.127 -29.314 418 HH22 ARG 53 HH22 ARG 53 -20.925 -10.724 -28.994 419 H SER 54 H SER 54 -19.329 -17.568 -24.728 420 HA SER 54 HA SER 54 -17.387 -18.506 -22.912 421 HB2 SER 54 HB3 SER 54 -20.238 -19.454 -23.291 422 HB3 SER 54 HB2 SER 54 -19.246 -19.691 -21.852 423 HG SER 54 HG SER 54 -20.263 -17.893 -21.306 424 H ARG 55 H ARG 55 -16.278 -20.344 -22.762 425 HA ARG 55 HA ARG 55 -16.244 -22.092 -25.056 426 HB2 ARG 55 HB3 ARG 55 -14.546 -21.794 -22.606 427 HB3 ARG 55 HB2 ARG 55 -14.366 -23.187 -23.655 428 HG2 ARG 55 HG3 ARG 55 -14.023 -21.548 -25.553 429 HG3 ARG 55 HG2 ARG 55 -13.923 -20.288 -24.323 430 HD2 ARG 55 HD3 ARG 55 -11.699 -21.027 -24.928 431 HD3 ARG 55 HD2 ARG 55 -12.056 -21.503 -23.268 432 HE ARG 55 HE ARG 55 -12.759 -23.614 -24.983 433 HH11 ARG 55 HH11 ARG 55 -9.860 -21.960 -23.866 434 HH12 ARG 55 HH12 ARG 55 -8.856 -23.374 -24.019 435 HH21 ARG 55 HH21 ARG 55 -11.431 -25.451 -25.163 436 HH22 ARG 55 HH22 ARG 55 -9.751 -25.349 -24.735 437 H GLY 56 H GLY 56 -17.740 -22.139 -21.989 438 HA2 GLY 56 HA3 GLY 56 -19.389 -23.892 -21.607 439 HA3 GLY 56 HA2 GLY 56 -18.257 -25.024 -22.328 440 H PHE 57 H PHE 57 -16.652 -22.830 -20.362 441 HA PHE 57 HA PHE 57 -17.202 -24.035 -17.821 442 HB2 PHE 57 HB3 PHE 57 -15.072 -25.082 -17.418 443 HB3 PHE 57 HB2 PHE 57 -15.734 -25.753 -18.903 444 HD1 PHE 57 HD1 PHE 57 -12.883 -24.499 -17.385 445 HD2 PHE 57 HD2 PHE 57 -14.947 -24.476 -21.100 446 HE1 PHE 57 HE1 PHE 57 -10.795 -23.894 -18.539 447 HE2 PHE 57 HE2 PHE 57 -12.863 -23.882 -22.264 448 HZ PHE 57 HZ PHE 57 -10.783 -23.587 -20.982 449 H GLY 58 H GLY 58 -15.835 -23.059 -16.080 450 HA2 GLY 58 HA3 GLY 58 -14.318 -20.694 -16.742 451 HA3 GLY 58 HA2 GLY 58 -15.911 -20.333 -16.092 452 H PHE 59 H PHE 59 -14.525 -19.253 -14.437 453 HA PHE 59 HA PHE 59 -13.888 -21.146 -12.278 454 HB2 PHE 59 HB3 PHE 59 -12.161 -18.872 -13.250 455 HB3 PHE 59 HB2 PHE 59 -11.964 -19.610 -11.667 456 HD1 PHE 59 HD1 PHE 59 -11.158 -21.898 -11.460 457 HD2 PHE 59 HD2 PHE 59 -11.444 -19.978 -15.241 458 HE1 PHE 59 HE1 PHE 59 -9.654 -23.587 -12.425 459 HE2 PHE 59 HE2 PHE 59 -9.946 -21.668 -16.219 460 HZ PHE 59 HZ PHE 59 -9.046 -23.471 -14.809 461 H VAL 60 H VAL 60 -13.946 -20.233 -10.162 462 HA VAL 60 HA VAL 60 -15.070 -17.575 -9.825 463 HB VAL 60 HB VAL 60 -16.730 -18.723 -8.122 464 HG11 VAL 60 HG11 VAL 60 -17.270 -17.106 -9.846 465 HG12 VAL 60 HG12 VAL 60 -18.472 -18.400 -9.771 466 HG13 VAL 60 HG13 VAL 60 -17.262 -18.393 -11.056 467 HG21 VAL 60 HG21 VAL 60 -16.548 -20.716 -10.365 468 HG22 VAL 60 HG22 VAL 60 -17.780 -20.686 -9.102 469 HG23 VAL 60 HG23 VAL 60 -16.096 -21.005 -8.686 470 H THR 61 H THR 61 -13.718 -16.695 -8.476 471 HA THR 61 HA THR 61 -12.486 -18.325 -6.386 472 HB THR 61 HB THR 61 -11.923 -15.421 -6.966 473 HG1 THR 61 HG1 THR 61 -11.262 -16.153 -8.857 474 HG21 THR 61 HG21 THR 61 -9.725 -15.963 -6.015 475 HG22 THR 61 HG22 THR 61 -10.245 -17.630 -5.763 476 HG23 THR 61 HG23 THR 61 -11.023 -16.319 -4.874 477 H TYR 62 H TYR 62 -13.495 -18.424 -4.510 478 HA TYR 62 HA TYR 62 -15.451 -16.424 -3.785 479 HB2 TYR 62 HB3 TYR 62 -14.549 -19.020 -2.567 480 HB3 TYR 62 HB2 TYR 62 -15.588 -17.912 -1.675 481 HD1 TYR 62 HD1 TYR 62 -17.889 -17.812 -2.096 482 HD2 TYR 62 HD2 TYR 62 -15.372 -19.940 -4.779 483 HE1 TYR 62 HE1 TYR 62 -19.874 -18.736 -3.209 484 HE2 TYR 62 HE2 TYR 62 -17.351 -20.865 -5.905 485 HH TYR 62 HH TYR 62 -20.521 -19.690 -5.307 486 H ALA 63 H ALA 63 -15.403 -15.745 -1.377 487 HA ALA 63 HA ALA 63 -13.104 -14.073 -1.129 488 HB1 ALA 63 HB1 ALA 63 -15.356 -13.365 -0.425 489 HB2 ALA 63 HB2 ALA 63 -14.178 -13.236 0.885 490 HB3 ALA 63 HB3 ALA 63 -15.319 -14.581 0.857 491 H THR 64 H THR 64 -14.077 -17.136 0.113 492 HA THR 64 HA THR 64 -11.450 -17.637 1.115 493 HB THR 64 HB THR 64 -12.307 -16.436 3.036 494 HG1 THR 64 HG1 THR 64 -12.543 -18.866 4.224 495 HG21 THR 64 HG21 THR 64 -14.697 -16.760 2.615 496 HG22 THR 64 HG22 THR 64 -14.264 -17.184 4.276 497 HG23 THR 64 HG23 THR 64 -14.544 -18.455 3.085 498 H VAL 65 H VAL 65 -11.575 -19.890 2.357 499 HA VAL 65 HA VAL 65 -12.333 -21.663 0.272 500 HB VAL 65 HB VAL 65 -10.302 -22.085 1.437 501 HG11 VAL 65 HG11 VAL 65 -11.944 -22.341 3.949 502 HG12 VAL 65 HG12 VAL 65 -10.817 -21.041 3.556 503 HG13 VAL 65 HG13 VAL 65 -10.217 -22.682 3.813 504 HG21 VAL 65 HG21 VAL 65 -11.448 -24.068 0.643 505 HG22 VAL 65 HG22 VAL 65 -12.325 -24.194 2.168 506 HG23 VAL 65 HG23 VAL 65 -10.577 -24.419 2.136 507 H GLU 66 H GLU 66 -13.700 -21.000 3.485 508 HA GLU 66 HA GLU 66 -15.411 -23.222 3.587 509 HB2 GLU 66 HB3 GLU 66 -16.796 -21.752 5.149 510 HB3 GLU 66 HB2 GLU 66 -15.151 -22.154 5.621 511 HG2 GLU 66 HG3 GLU 66 -15.483 -19.670 4.088 512 HG3 GLU 66 HG2 GLU 66 -16.172 -19.692 5.704 513 H GLU 67 H GLU 67 -15.621 -20.372 1.702 514 HA GLU 67 HA GLU 67 -18.452 -20.596 1.224 515 HB2 GLU 67 HB3 GLU 67 -16.416 -19.076 -0.401 516 HB3 GLU 67 HB2 GLU 67 -18.157 -18.833 -0.381 517 HG2 GLU 67 HG3 GLU 67 -17.867 -18.277 2.092 518 HG3 GLU 67 HG2 GLU 67 -16.147 -18.151 1.725 519 H VAL 68 H VAL 68 -15.467 -21.370 -0.509 520 HA VAL 68 HA VAL 68 -16.530 -22.547 -2.800 521 HB VAL 68 HB VAL 68 -14.007 -23.118 -1.246 522 HG11 VAL 68 HG11 VAL 68 -14.817 -24.343 -3.882 523 HG12 VAL 68 HG12 VAL 68 -14.639 -25.201 -2.352 524 HG13 VAL 68 HG13 VAL 68 -13.229 -24.479 -3.128 525 HG21 VAL 68 HG21 VAL 68 -14.511 -21.836 -3.924 526 HG22 VAL 68 HG22 VAL 68 -12.938 -22.042 -3.154 527 HG23 VAL 68 HG23 VAL 68 -14.146 -20.985 -2.423 528 H ASP 69 H ASP 69 -15.791 -23.949 0.352 529 HA ASP 69 HA ASP 69 -16.511 -26.583 -0.095 530 HB2 ASP 69 HB3 ASP 69 -15.447 -25.855 1.967 531 HB3 ASP 69 HB2 ASP 69 -16.870 -24.912 2.399 532 H ALA 70 H ALA 70 -18.566 -23.842 0.827 533 HA ALA 70 HA ALA 70 -20.927 -25.347 1.188 534 HB1 ALA 70 HB1 ALA 70 -20.645 -22.424 0.491 535 HB2 ALA 70 HB2 ALA 70 -20.621 -23.102 2.120 536 HB3 ALA 70 HB3 ALA 70 -22.085 -23.206 1.143 537 H ALA 71 H ALA 71 -19.528 -23.701 -1.598 538 HA ALA 71 HA ALA 71 -21.741 -24.077 -3.332 539 HB1 ALA 71 HB1 ALA 71 -18.828 -23.741 -4.028 540 HB2 ALA 71 HB2 ALA 71 -19.980 -22.430 -3.763 541 HB3 ALA 71 HB3 ALA 71 -20.193 -23.530 -5.124 542 H MET 72 H MET 72 -19.016 -26.070 -2.411 543 HA MET 72 HA MET 72 -19.429 -28.056 -4.419 544 HB2 MET 72 HB3 MET 72 -18.041 -28.258 -1.739 545 HB3 MET 72 HB2 MET 72 -18.001 -29.490 -2.987 546 HG2 MET 72 HG3 MET 72 -16.979 -27.725 -4.497 547 HG3 MET 72 HG2 MET 72 -16.786 -26.754 -3.041 548 HE1 MET 72 HE1 MET 72 -13.215 -28.253 -4.061 549 HE2 MET 72 HE2 MET 72 -14.162 -26.770 -3.943 550 HE3 MET 72 HE3 MET 72 -14.545 -27.964 -5.183 551 H ASN 73 H ASN 73 -20.562 -27.564 -1.121 552 HA ASN 73 HA ASN 73 -22.009 -30.019 -0.944 553 HB2 ASN 73 HB3 ASN 73 -22.162 -27.435 0.605 554 HB3 ASN 73 HB2 ASN 73 -23.267 -28.767 0.913 555 HD21 ASN 73 HD21 ASN 73 -20.049 -27.575 1.259 556 HD22 ASN 73 HD22 ASN 73 -19.469 -28.843 2.283 557 H ALA 74 H ALA 74 -22.475 -27.255 -2.748 558 HA ALA 74 HA ALA 74 -25.375 -27.434 -2.817 559 HB1 ALA 74 HB1 ALA 74 -23.475 -25.634 -4.317 560 HB2 ALA 74 HB2 ALA 74 -24.343 -25.224 -2.831 561 HB3 ALA 74 HB3 ALA 74 -25.235 -25.513 -4.329 562 H ARG 75 H ARG 75 -22.889 -29.095 -4.160 563 HA ARG 75 HA ARG 75 -23.821 -29.407 -6.843 564 HB2 ARG 75 HB3 ARG 75 -21.498 -29.811 -6.376 565 HB3 ARG 75 HB2 ARG 75 -21.894 -30.985 -5.131 566 HG2 ARG 75 HG3 ARG 75 -22.710 -32.532 -6.794 567 HG3 ARG 75 HG2 ARG 75 -22.456 -31.337 -8.069 568 HD2 ARG 75 HD3 ARG 75 -20.664 -33.077 -7.886 569 HD3 ARG 75 HD2 ARG 75 -20.092 -31.412 -7.773 570 HE ARG 75 HE ARG 75 -20.652 -32.670 -5.228 571 HH11 ARG 75 HH11 ARG 75 -18.252 -32.170 -7.721 572 HH12 ARG 75 HH12 ARG 75 -16.895 -32.300 -6.643 573 HH21 ARG 75 HH21 ARG 75 -18.878 -32.848 -3.784 574 HH22 ARG 75 HH22 ARG 75 -17.255 -32.732 -4.405 575 HA PRO 76 HA PRO 76 -24.093 -31.060 -8.475 576 HB2 PRO 76 HB3 PRO 76 -26.412 -31.225 -9.880 577 HB3 PRO 76 HB2 PRO 76 -25.445 -32.638 -9.445 578 HG2 PRO 76 HG3 PRO 76 -27.893 -31.540 -8.116 579 HG3 PRO 76 HG2 PRO 76 -27.481 -33.225 -8.487 580 HD2 PRO 76 HD3 PRO 76 -27.173 -32.173 -6.019 581 HD3 PRO 76 HD2 PRO 76 -26.085 -33.419 -6.663 582 H HIS 77 H HIS 77 -23.676 -29.045 -9.019 583 HA HIS 77 HA HIS 77 -25.287 -26.882 -8.058 584 HB2 HIS 77 HB3 HIS 77 -22.680 -27.041 -8.423 585 HB3 HIS 77 HB2 HIS 77 -23.082 -26.509 -10.054 586 HD2 HIS 77 HD2 HIS 77 -22.377 -25.068 -6.649 587 HE1 HIS 77 HE1 HIS 77 -24.327 -22.044 -8.883 588 HE2 HIS 77 HE2 HIS 77 -22.841 -22.528 -6.885 589 H LYS 78 H LYS 78 -25.998 -25.120 -9.542 590 HA LYS 78 HA LYS 78 -26.805 -26.040 -12.184 591 HB2 LYS 78 HB3 LYS 78 -28.631 -26.779 -10.742 592 HB3 LYS 78 HB2 LYS 78 -28.767 -25.171 -10.047 593 HG2 LYS 78 HG3 LYS 78 -30.536 -25.527 -11.637 594 HG3 LYS 78 HG2 LYS 78 -29.430 -24.296 -12.246 595 HD2 LYS 78 HD3 LYS 78 -29.995 -25.750 -14.059 596 HD3 LYS 78 HD2 LYS 78 -28.321 -26.074 -13.606 597 HE2 LYS 78 HE3 LYS 78 -29.495 -28.153 -14.004 598 HE3 LYS 78 HE2 LYS 78 -29.064 -28.014 -12.300 599 HZ1 LYS 78 HZ1 LYS 78 -31.332 -28.835 -12.652 600 HZ2 LYS 78 HZ2 LYS 78 -31.739 -27.382 -13.425 601 HZ3 LYS 78 HZ3 LYS 78 -31.309 -27.379 -11.783 602 H VAL 79 H VAL 79 -26.072 -24.474 -13.432 603 HA VAL 79 HA VAL 79 -26.811 -21.715 -12.777 604 HB VAL 79 HB VAL 79 -24.561 -21.668 -12.098 605 HG11 VAL 79 HG11 VAL 79 -22.707 -22.584 -13.432 606 HG12 VAL 79 HG12 VAL 79 -23.884 -23.260 -14.559 607 HG13 VAL 79 HG13 VAL 79 -23.843 -23.817 -12.883 608 HG21 VAL 79 HG21 VAL 79 -24.595 -20.777 -14.981 609 HG22 VAL 79 HG22 VAL 79 -23.403 -20.297 -13.773 610 HG23 VAL 79 HG23 VAL 79 -25.090 -19.820 -13.584 611 H ASP 80 H ASP 80 -27.714 -20.692 -14.401 612 HA ASP 80 HA ASP 80 -28.528 -20.155 -16.446 613 HB2 ASP 80 HB3 ASP 80 -25.999 -20.137 -16.965 614 HB3 ASP 80 HB2 ASP 80 -26.274 -21.699 -17.721 615 H GLY 81 H GLY 81 -29.065 -22.805 -15.093 616 HA2 GLY 81 HA3 GLY 81 -30.622 -24.466 -15.561 617 HA3 GLY 81 HA2 GLY 81 -30.624 -23.957 -17.243 618 H ARG 82 H ARG 82 -27.539 -24.462 -15.931 619 HA ARG 82 HA ARG 82 -27.391 -27.122 -17.190 620 HB2 ARG 82 HB3 ARG 82 -26.198 -25.553 -18.554 621 HB3 ARG 82 HB2 ARG 82 -25.400 -24.853 -17.156 622 HG2 ARG 82 HG3 ARG 82 -23.837 -26.195 -18.365 623 HG3 ARG 82 HG2 ARG 82 -24.189 -26.977 -16.828 624 HD2 ARG 82 HD3 ARG 82 -25.750 -28.487 -17.963 625 HD3 ARG 82 HD2 ARG 82 -25.376 -27.709 -19.502 626 HE ARG 82 HE ARG 82 -23.050 -28.695 -18.142 627 HH11 ARG 82 HH11 ARG 82 -25.671 -29.571 -20.304 628 HH12 ARG 82 HH12 ARG 82 -24.811 -30.917 -20.992 629 HH21 ARG 82 HH21 ARG 82 -21.928 -30.480 -19.067 630 HH22 ARG 82 HH22 ARG 82 -22.708 -31.433 -20.292 631 H VAL 83 H VAL 83 -26.642 -28.744 -15.968 632 HA VAL 83 HA VAL 83 -25.868 -28.291 -13.230 633 HB VAL 83 HB VAL 83 -25.746 -30.847 -14.848 634 HG11 VAL 83 HG11 VAL 83 -24.334 -30.936 -12.870 635 HG12 VAL 83 HG12 VAL 83 -25.748 -31.971 -12.668 636 HG13 VAL 83 HG13 VAL 83 -25.682 -30.402 -11.865 637 HG21 VAL 83 HG21 VAL 83 -27.910 -29.820 -13.015 638 HG22 VAL 83 HG22 VAL 83 -27.871 -31.415 -13.765 639 HG23 VAL 83 HG23 VAL 83 -28.014 -29.972 -14.769 640 H VAL 84 H VAL 84 -23.861 -27.880 -12.531 641 HA VAL 84 HA VAL 84 -21.628 -28.514 -14.344 642 HB VAL 84 HB VAL 84 -20.454 -26.527 -13.524 643 HG11 VAL 84 HG11 VAL 84 -23.202 -25.949 -14.615 644 HG12 VAL 84 HG12 VAL 84 -21.764 -26.352 -15.555 645 HG13 VAL 84 HG13 VAL 84 -21.832 -24.840 -14.650 646 HG21 VAL 84 HG21 VAL 84 -21.637 -24.834 -12.205 647 HG22 VAL 84 HG22 VAL 84 -21.470 -26.348 -11.317 648 HG23 VAL 84 HG23 VAL 84 -23.016 -25.922 -12.050 649 H GLU 85 H GLU 85 -19.514 -28.659 -13.270 650 HA GLU 85 HA GLU 85 -19.754 -29.854 -10.592 651 HB2 GLU 85 HB3 GLU 85 -19.254 -31.550 -12.267 652 HB3 GLU 85 HB2 GLU 85 -17.900 -30.600 -12.861 653 HG2 GLU 85 HG3 GLU 85 -16.761 -30.887 -10.718 654 HG3 GLU 85 HG2 GLU 85 -18.118 -31.848 -10.131 655 HA PRO 86 HA PRO 86 -16.777 -26.561 -9.855 656 HB2 PRO 86 HB3 PRO 86 -17.650 -26.229 -7.231 657 HB3 PRO 86 HB2 PRO 86 -18.261 -25.362 -8.640 658 HG2 PRO 86 HG3 PRO 86 -19.656 -27.244 -7.026 659 HG3 PRO 86 HG2 PRO 86 -20.230 -26.460 -8.505 660 HD2 PRO 86 HD3 PRO 86 -19.085 -29.168 -8.124 661 HD3 PRO 86 HD2 PRO 86 -20.217 -28.579 -9.360 662 H LYS 87 H LYS 87 -14.743 -27.264 -9.559 663 HA LYS 87 HA LYS 87 -14.204 -28.959 -7.204 664 HB2 LYS 87 HB3 LYS 87 -12.503 -30.124 -8.422 665 HB3 LYS 87 HB2 LYS 87 -13.951 -30.127 -9.410 666 HG2 LYS 87 HG3 LYS 87 -13.062 -28.332 -10.765 667 HG3 LYS 87 HG2 LYS 87 -11.607 -28.286 -9.764 668 HD2 LYS 87 HD3 LYS 87 -11.113 -29.540 -11.741 669 HD3 LYS 87 HD2 LYS 87 -11.194 -30.664 -10.385 670 HE2 LYS 87 HE3 LYS 87 -13.476 -31.268 -11.030 671 HE3 LYS 87 HE2 LYS 87 -13.389 -30.148 -12.387 672 HZ1 LYS 87 HZ1 LYS 87 -11.476 -31.466 -13.210 673 HZ2 LYS 87 HZ2 LYS 87 -12.933 -32.327 -13.187 674 HZ3 LYS 87 HZ3 LYS 87 -11.769 -32.600 -11.984 675 H ARG 88 H ARG 88 -12.053 -28.722 -6.278 676 HA ARG 88 HA ARG 88 -11.226 -26.085 -5.809 677 HB2 ARG 88 HB3 ARG 88 -10.531 -28.663 -4.904 678 HB3 ARG 88 HB2 ARG 88 -9.047 -27.990 -5.553 679 HG2 ARG 88 HG3 ARG 88 -9.033 -27.470 -3.272 680 HG3 ARG 88 HG2 ARG 88 -9.485 -25.971 -4.086 681 HD2 ARG 88 HD3 ARG 88 -11.673 -26.085 -3.365 682 HD3 ARG 88 HD2 ARG 88 -11.618 -27.833 -3.136 683 HE ARG 88 HE ARG 88 -9.943 -26.249 -1.362 684 HH11 ARG 88 HH11 ARG 88 -12.983 -27.938 -1.813 685 HH12 ARG 88 HH12 ARG 88 -13.319 -28.066 -0.113 686 HH21 ARG 88 HH21 ARG 88 -10.368 -26.427 0.866 687 HH22 ARG 88 HH22 ARG 88 -11.832 -27.190 1.417 688 H ALA 89 H ALA 89 -10.204 -24.713 -7.153 689 HA ALA 89 HA ALA 89 -9.157 -25.641 -9.647 690 HB1 ALA 89 HB1 ALA 89 -8.994 -22.898 -8.414 691 HB2 ALA 89 HB2 ALA 89 -10.290 -23.484 -9.458 692 HB3 ALA 89 HB3 ALA 89 -8.654 -23.308 -10.095 693 H VAL 90 H VAL 90 -7.152 -26.174 -10.155 694 HA VAL 90 HA VAL 90 -5.059 -26.093 -8.194 695 HB VAL 90 HB VAL 90 -5.193 -28.000 -9.705 696 HG11 VAL 90 HG11 VAL 90 -4.660 -26.023 -11.914 697 HG12 VAL 90 HG12 VAL 90 -6.159 -26.913 -11.647 698 HG13 VAL 90 HG13 VAL 90 -4.689 -27.778 -12.095 699 HG21 VAL 90 HG21 VAL 90 -2.999 -27.434 -8.856 700 HG22 VAL 90 HG22 VAL 90 -2.735 -26.344 -10.217 701 HG23 VAL 90 HG23 VAL 90 -2.880 -28.080 -10.492 702 H SER 91 H SER 91 -3.134 -24.881 -8.317 703 HA SER 91 HA SER 91 -3.199 -22.280 -9.249 704 HB2 SER 91 HB3 SER 91 -1.519 -22.999 -7.659 705 HB3 SER 91 HB2 SER 91 -0.840 -24.134 -8.824 706 HG SER 91 HG SER 91 -0.142 -21.638 -8.436 707 H ARG 92 H ARG 92 -3.026 -21.374 -11.215 708 HA ARG 92 HA ARG 92 -2.875 -22.944 -13.552 709 HB2 ARG 92 HB3 ARG 92 -2.719 -20.834 -14.795 710 HB3 ARG 92 HB2 ARG 92 -3.983 -20.756 -13.579 711 HG2 ARG 92 HG3 ARG 92 -1.325 -19.769 -12.778 712 HG3 ARG 92 HG2 ARG 92 -2.196 -18.817 -13.980 713 HD2 ARG 92 HD3 ARG 92 -4.092 -18.618 -12.481 714 HD3 ARG 92 HD2 ARG 92 -3.293 -19.650 -11.296 715 HE ARG 92 HE ARG 92 -1.500 -17.807 -11.358 716 HH11 ARG 92 HH11 ARG 92 -4.933 -17.249 -11.780 717 HH12 ARG 92 HH12 ARG 92 -4.897 -15.658 -11.076 718 HH21 ARG 92 HH21 ARG 92 -1.449 -15.720 -10.420 719 HH22 ARG 92 HH22 ARG 92 -2.918 -14.799 -10.304 720 H GLU 93 H GLU 93 -0.514 -21.311 -11.582 721 HA GLU 93 HA GLU 93 1.700 -21.567 -13.326 722 HB2 GLU 93 HB3 GLU 93 1.520 -21.391 -10.315 723 HB3 GLU 93 HB2 GLU 93 3.046 -21.429 -11.182 724 HG2 GLU 93 HG3 GLU 93 2.543 -19.168 -10.628 725 HG3 GLU 93 HG2 GLU 93 2.369 -19.364 -12.369 726 H ASP 94 H ASP 94 0.192 -23.695 -10.976 727 HA ASP 94 HA ASP 94 2.148 -25.715 -10.870 728 HB2 ASP 94 HB3 ASP 94 0.004 -25.490 -9.438 729 HB3 ASP 94 HB2 ASP 94 -0.808 -26.282 -10.769 730 H SER 95 H SER 95 -0.707 -25.314 -12.907 731 HA SER 95 HA SER 95 -0.361 -27.774 -14.245 732 HB2 SER 95 HB3 SER 95 -2.502 -26.321 -13.996 733 HB3 SER 95 HB2 SER 95 -1.898 -25.469 -15.417 734 HG SER 95 HG SER 95 -2.662 -27.044 -16.568 735 H GLN 96 H GLN 96 0.887 -24.587 -14.708 736 HA GLN 96 HA GLN 96 1.865 -24.925 -17.366 737 HB2 GLN 96 HB3 GLN 96 2.613 -23.060 -15.116 738 HB3 GLN 96 HB2 GLN 96 3.421 -23.026 -16.676 739 HG2 GLN 96 HG3 GLN 96 0.495 -22.550 -16.179 740 HG3 GLN 96 HG2 GLN 96 1.710 -21.326 -16.555 741 HE21 GLN 96 HE21 GLN 96 2.686 -21.361 -18.608 742 HE22 GLN 96 HE22 GLN 96 1.857 -22.044 -19.969 743 H ARG 97 H ARG 97 3.194 -25.330 -14.153 744 HA ARG 97 HA ARG 97 4.880 -26.583 -13.314 745 HB2 ARG 97 HB3 ARG 97 5.045 -27.696 -16.118 746 HB3 ARG 97 HB2 ARG 97 6.018 -28.273 -14.771 747 HG2 ARG 97 HG3 ARG 97 4.099 -29.060 -13.615 748 HG3 ARG 97 HG2 ARG 97 3.013 -28.263 -14.755 749 HD2 ARG 97 HD3 ARG 97 4.927 -30.487 -15.447 750 HD3 ARG 97 HD2 ARG 97 3.205 -30.698 -15.134 751 HE ARG 97 HE ARG 97 4.051 -28.889 -17.282 752 HH11 ARG 97 HH11 ARG 97 2.541 -31.875 -16.272 753 HH12 ARG 97 HH12 ARG 97 1.807 -32.182 -17.817 754 HH21 ARG 97 HH21 ARG 97 3.118 -29.283 -19.321 755 HH22 ARG 97 HH22 ARG 97 2.159 -30.715 -19.561 756 H5' U 1 H5' U 1 -16.493 -30.833 -21.133 757 H5'' U 1 H5'' U 1 -17.236 -29.228 -21.208 758 H4' U 1 H4' U 1 -15.303 -30.517 -22.997 759 H3' U 1 H3' U 1 -15.183 -28.200 -21.606 760 H2' U 1 H2' U 1 -16.447 -26.612 -22.732 761 HO2' U 1 HO2' U 1 -15.783 -26.058 -24.837 762 H1' U 1 H1' U 1 -17.310 -27.833 -25.152 763 H3 U 1 H3 U 1 -21.621 -28.615 -23.967 764 H5 U 1 H5 U 1 -19.820 -27.073 -20.504 765 H6 U 1 H6 U 1 -17.698 -27.232 -21.625 766 HO5' U 1 HO5' U 1 -18.382 -31.477 -21.768 767 H5' U 2 H5' U 2 -13.944 -29.136 -20.368 768 H5'' U 2 H5'' U 2 -14.935 -27.797 -19.758 769 H4' U 2 H4' U 2 -12.502 -27.088 -18.822 770 H3' U 2 H3' U 2 -11.685 -29.502 -19.602 771 H2' U 2 H2' U 2 -13.436 -30.767 -18.503 772 HO2' U 2 HO2' U 2 -12.027 -30.778 -16.165 773 H1' U 2 H1' U 2 -13.032 -29.017 -16.016 774 H3 U 2 H3 U 2 -16.356 -30.873 -13.744 775 H5 U 2 H5 U 2 -17.657 -31.283 -17.716 776 H6 U 2 H6 U 2 -15.611 -30.222 -18.413 777 H5' A 3 H5' A 3 -9.684 -24.689 -19.599 778 H5'' A 3 H5'' A 3 -8.433 -25.925 -19.826 779 H4' A 3 H4' A 3 -8.385 -23.720 -18.115 780 H3' A 3 H3' A 3 -6.469 -25.276 -19.196 781 H2' A 3 H2' A 3 -6.816 -27.155 -17.666 782 HO2' A 3 HO2' A 3 -4.628 -26.615 -17.444 783 H1' A 3 H1' A 3 -7.037 -24.950 -15.519 784 H8 A 3 H8 A 3 -7.610 -28.655 -16.341 785 H61 A 3 H61 A 3 -8.725 -30.088 -11.828 786 H62 A 3 H62 A 3 -9.052 -29.222 -10.343 787 H2 A 3 H2 A 3 -8.612 -24.852 -11.276 788 H5' G 4 H5' G 4 -7.483 -22.723 -18.807 789 H5'' G 4 H5'' G 4 -7.620 -21.953 -20.398 790 H4' G 4 H4' G 4 -7.677 -19.989 -19.434 791 H3' G 4 H3' G 4 -4.923 -20.423 -19.337 792 H2' G 4 H2' G 4 -4.914 -20.979 -16.970 793 HO2' G 4 HO2' G 4 -4.666 -18.227 -17.452 794 H1' G 4 H1' G 4 -7.182 -18.886 -16.853 795 H8 G 4 H8 G 4 -7.895 -18.420 -14.514 796 H1 G 4 H1 G 4 -5.999 -24.180 -12.432 797 H21 G 4 H21 G 4 -4.935 -24.672 -15.698 798 H22 G 4 H22 G 4 -5.080 -25.320 -14.080 799 H5' G 5 H5' G 5 -6.313 -15.281 -19.687 800 H5'' G 5 H5'' G 5 -6.674 -16.667 -18.639 801 H4' G 5 H4' G 5 -8.958 -15.773 -20.220 802 H3' G 5 H3' G 5 -7.606 -13.752 -18.461 803 H2' G 5 H2' G 5 -9.694 -13.168 -17.496 804 HO2' G 5 HO2' G 5 -11.668 -13.798 -18.448 805 H1' G 5 H1' G 5 -10.779 -15.764 -17.402 806 H8 G 5 H8 G 5 -8.571 -17.190 -15.684 807 H1 G 5 H1 G 5 -8.986 -11.488 -12.777 808 H21 G 5 H21 G 5 -10.493 -10.456 -15.726 809 H22 G 5 H22 G 5 -9.952 -10.030 -14.119 810 H5' U 6 H5' U 6 -6.594 -13.395 -18.623 811 H5'' U 6 H5'' U 6 -6.568 -11.898 -17.671 812 H4' U 6 H4' U 6 -4.399 -11.343 -18.799 813 H3' U 6 H3' U 6 -4.706 -13.257 -20.615 814 H2' U 6 H2' U 6 -4.853 -15.143 -19.104 815 HO2' U 6 HO2' U 6 -2.327 -14.690 -20.135 816 H1' U 6 H1' U 6 -2.527 -14.022 -17.465 817 H3 U 6 H3 U 6 -3.037 -16.734 -14.004 818 H5 U 6 H5 U 6 -6.858 -16.776 -15.744 819 H6 U 6 H6 U 6 -6.041 -15.233 -17.396 820 H5' C 7 H5' C 7 0.537 -10.379 -20.551 821 H5'' C 7 H5'' C 7 -0.205 -11.905 -21.067 822 H4' C 7 H4' C 7 1.227 -12.088 -19.057 823 H3' C 7 H3' C 7 -1.625 -12.986 -19.006 824 HO3' C 7 HO3' C 7 0.416 -14.652 -18.391 825 H2' C 7 H2' C 7 -1.484 -13.480 -16.684 826 HO2' C 7 HO2' C 7 1.330 -13.041 -16.859 827 H1' C 7 H1' C 7 0.061 -11.263 -15.930 828 H41 C 7 H41 C 7 -6.155 -9.090 -16.254 829 H42 C 7 H42 C 7 -5.949 -9.671 -14.616 830 H5 C 7 H5 C 7 -4.457 -9.353 -17.965 831 H6 C 7 H6 C 7 -2.241 -10.248 -18.452 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -5.959 -3.100 1.332 2 H2 ALA 1 H2 ALA 1 -6.341 -3.351 2.969 3 H3 ALA 1 H3 ALA 1 -6.111 -4.677 1.938 4 HA ALA 1 HA ALA 1 -4.221 -4.254 3.430 5 HB1 ALA 1 HB1 ALA 1 -3.943 -5.455 1.314 6 HB2 ALA 1 HB2 ALA 1 -2.517 -4.495 1.707 7 HB3 ALA 1 HB3 ALA 1 -3.656 -3.927 0.484 8 H SER 2 H SER 2 -3.520 -2.620 4.621 9 HA SER 2 HA SER 2 -3.293 0.060 3.498 10 HB2 SER 2 HB3 SER 2 -4.255 -0.373 5.793 11 HB3 SER 2 HB2 SER 2 -2.655 -0.902 6.303 12 HG SER 2 HG SER 2 -3.101 1.650 5.144 13 H LYS 3 H LYS 3 -1.322 -2.541 4.799 14 HA LYS 3 HA LYS 3 0.957 -1.501 3.268 15 HB2 LYS 3 HB3 LYS 3 2.525 -2.070 5.049 16 HB3 LYS 3 HB2 LYS 3 1.359 -0.895 5.635 17 HG2 LYS 3 HG3 LYS 3 0.833 -3.786 6.105 18 HG3 LYS 3 HG2 LYS 3 2.055 -2.971 7.079 19 HD2 LYS 3 HD3 LYS 3 -0.638 -1.722 6.763 20 HD3 LYS 3 HD2 LYS 3 -0.441 -3.080 7.872 21 HE2 LYS 3 HE3 LYS 3 -0.166 -1.083 9.137 22 HE3 LYS 3 HE2 LYS 3 1.424 -1.818 8.957 23 HZ1 LYS 3 HZ1 LYS 3 1.554 0.544 8.615 24 HZ2 LYS 3 HZ2 LYS 3 0.372 0.489 7.405 25 HZ3 LYS 3 HZ3 LYS 3 1.881 -0.239 7.150 26 H SER 4 H SER 4 2.706 -3.647 4.001 27 HA SER 4 HA SER 4 1.668 -5.794 2.457 28 HB2 SER 4 HB3 SER 4 4.034 -5.792 4.352 29 HB3 SER 4 HB2 SER 4 3.708 -6.987 3.097 30 HG SER 4 HG SER 4 3.766 -4.357 2.227 31 H GLU 5 H GLU 5 -0.186 -6.619 3.290 32 HA GLU 5 HA GLU 5 0.022 -8.183 5.731 33 HB2 GLU 5 HB3 GLU 5 -2.027 -7.215 6.686 34 HB3 GLU 5 HB2 GLU 5 -0.762 -6.005 6.528 35 HG2 GLU 5 HG3 GLU 5 -1.849 -5.294 4.381 36 HG3 GLU 5 HG2 GLU 5 -3.191 -6.361 4.795 37 H SER 6 H SER 6 -0.271 -8.657 2.830 38 HA SER 6 HA SER 6 -2.984 -9.472 2.368 39 HB2 SER 6 HB3 SER 6 -0.454 -10.151 0.848 40 HB3 SER 6 HB2 SER 6 -2.100 -10.449 0.287 41 HG SER 6 HG SER 6 -1.507 -7.854 1.079 42 HA PRO 7 HA PRO 7 -2.673 -13.247 4.700 43 HB2 PRO 7 HB3 PRO 7 -5.115 -13.943 3.183 44 HB3 PRO 7 HB2 PRO 7 -4.865 -13.852 4.929 45 HG2 PRO 7 HG3 PRO 7 -6.290 -11.995 3.645 46 HG3 PRO 7 HG2 PRO 7 -5.220 -11.563 4.993 47 HD2 PRO 7 HD3 PRO 7 -4.772 -11.268 2.046 48 HD3 PRO 7 HD2 PRO 7 -4.379 -10.142 3.364 49 H LYS 8 H LYS 8 -2.370 -15.498 4.293 50 HA LYS 8 HA LYS 8 -1.330 -15.928 1.583 51 HB2 LYS 8 HB3 LYS 8 -0.603 -17.141 4.243 52 HB3 LYS 8 HB2 LYS 8 -0.070 -17.843 2.722 53 HG2 LYS 8 HG3 LYS 8 1.710 -16.505 3.490 54 HG3 LYS 8 HG2 LYS 8 0.954 -15.601 2.181 55 HD2 LYS 8 HD3 LYS 8 -0.326 -14.326 3.917 56 HD3 LYS 8 HD2 LYS 8 0.648 -15.134 5.144 57 HE2 LYS 8 HE3 LYS 8 2.682 -14.208 4.099 58 HE3 LYS 8 HE2 LYS 8 1.672 -13.354 2.932 59 HZ1 LYS 8 HZ1 LYS 8 1.741 -12.942 5.873 60 HZ2 LYS 8 HZ2 LYS 8 0.608 -12.215 4.844 61 HZ3 LYS 8 HZ3 LYS 8 2.257 -11.853 4.676 62 H GLU 9 H GLU 9 -4.093 -16.227 1.928 63 HA GLU 9 HA GLU 9 -4.481 -19.125 1.765 64 HB2 GLU 9 HB3 GLU 9 -6.456 -16.834 1.666 65 HB3 GLU 9 HB2 GLU 9 -6.903 -18.509 1.393 66 HG2 GLU 9 HG3 GLU 9 -7.468 -18.149 3.602 67 HG3 GLU 9 HG2 GLU 9 -5.905 -18.954 3.707 68 HA PRO 10 HA PRO 10 -3.212 -18.536 -2.528 69 HB2 PRO 10 HB3 PRO 10 -4.270 -21.326 -2.611 70 HB3 PRO 10 HB2 PRO 10 -2.747 -20.683 -3.234 71 HG2 PRO 10 HG3 PRO 10 -2.802 -22.100 -0.987 72 HG3 PRO 10 HG2 PRO 10 -1.737 -20.691 -1.149 73 HD2 PRO 10 HD3 PRO 10 -4.287 -20.979 0.363 74 HD3 PRO 10 HD2 PRO 10 -2.852 -20.005 0.739 75 H GLU 11 H GLU 11 -4.333 -17.863 -4.282 76 HA GLU 11 HA GLU 11 -7.133 -17.618 -4.156 77 HB2 GLU 11 HB3 GLU 11 -5.930 -16.008 -5.461 78 HB3 GLU 11 HB2 GLU 11 -5.239 -17.266 -6.483 79 HG2 GLU 11 HG3 GLU 11 -7.343 -17.732 -7.477 80 HG3 GLU 11 HG2 GLU 11 -8.191 -16.737 -6.298 81 H GLN 12 H GLN 12 -5.029 -19.927 -5.837 82 HA GLN 12 HA GLN 12 -7.032 -21.203 -7.340 83 HB2 GLN 12 HB3 GLN 12 -5.475 -22.953 -7.698 84 HB3 GLN 12 HB2 GLN 12 -4.514 -21.492 -7.526 85 HG2 GLN 12 HG3 GLN 12 -4.155 -22.120 -5.127 86 HG3 GLN 12 HG2 GLN 12 -4.932 -23.658 -5.502 87 HE21 GLN 12 HE21 GLN 12 -3.833 -25.209 -6.607 88 HE22 GLN 12 HE22 GLN 12 -2.149 -25.077 -6.992 89 H LEU 13 H LEU 13 -6.097 -21.487 -4.008 90 HA LEU 13 HA LEU 13 -7.528 -23.855 -3.376 91 HB2 LEU 13 HB3 LEU 13 -5.854 -23.247 -1.862 92 HB3 LEU 13 HB2 LEU 13 -6.371 -21.573 -1.816 93 HG LEU 13 HG LEU 13 -8.437 -22.341 -0.604 94 HD11 LEU 13 HD11 LEU 13 -8.346 -24.521 0.490 95 HD12 LEU 13 HD12 LEU 13 -6.878 -24.908 -0.410 96 HD13 LEU 13 HD13 LEU 13 -8.401 -24.663 -1.268 97 HD21 LEU 13 HD21 LEU 13 -6.578 -21.286 0.531 98 HD22 LEU 13 HD22 LEU 13 -5.767 -22.845 0.692 99 HD23 LEU 13 HD23 LEU 13 -7.286 -22.548 1.540 100 H ARG 14 H ARG 14 -8.260 -20.435 -3.306 101 HA ARG 14 HA ARG 14 -10.914 -20.900 -2.200 102 HB2 ARG 14 HB3 ARG 14 -9.460 -18.358 -2.946 103 HB3 ARG 14 HB2 ARG 14 -11.069 -18.410 -2.241 104 HG2 ARG 14 HG3 ARG 14 -10.174 -19.449 -0.232 105 HG3 ARG 14 HG2 ARG 14 -8.558 -19.446 -0.943 106 HD2 ARG 14 HD3 ARG 14 -10.194 -16.958 -0.516 107 HD3 ARG 14 HD2 ARG 14 -9.034 -17.570 0.661 108 HE ARG 14 HE ARG 14 -7.300 -17.227 -1.039 109 HH11 ARG 14 HH11 ARG 14 -10.370 -15.604 -1.527 110 HH12 ARG 14 HH12 ARG 14 -9.674 -14.305 -2.441 111 HH21 ARG 14 HH21 ARG 14 -6.395 -15.506 -2.256 112 HH22 ARG 14 HH22 ARG 14 -7.441 -14.252 -2.856 113 H LYS 15 H LYS 15 -9.555 -20.975 -5.186 114 HA LYS 15 HA LYS 15 -11.806 -19.714 -6.568 115 HB2 LYS 15 HB3 LYS 15 -9.475 -19.183 -7.305 116 HB3 LYS 15 HB2 LYS 15 -9.275 -20.868 -7.761 117 HG2 LYS 15 HG3 LYS 15 -11.169 -20.605 -9.347 118 HG3 LYS 15 HG2 LYS 15 -11.201 -18.887 -8.952 119 HD2 LYS 15 HD3 LYS 15 -8.770 -20.307 -10.026 120 HD3 LYS 15 HD2 LYS 15 -9.949 -19.491 -11.050 121 HE2 LYS 15 HE3 LYS 15 -8.341 -18.185 -8.858 122 HE3 LYS 15 HE2 LYS 15 -7.967 -18.104 -10.576 123 HZ1 LYS 15 HZ1 LYS 15 -9.123 -16.120 -9.882 124 HZ2 LYS 15 HZ2 LYS 15 -10.404 -17.028 -9.256 125 HZ3 LYS 15 HZ3 LYS 15 -10.119 -17.005 -10.922 126 H LEU 16 H LEU 16 -13.327 -20.819 -7.538 127 HA LEU 16 HA LEU 16 -13.210 -23.741 -7.441 128 HB2 LEU 16 HB3 LEU 16 -15.118 -22.044 -6.593 129 HB3 LEU 16 HB2 LEU 16 -15.660 -22.275 -8.240 130 HG LEU 16 HG LEU 16 -15.949 -24.629 -7.907 131 HD11 LEU 16 HD11 LEU 16 -14.051 -25.122 -6.520 132 HD12 LEU 16 HD12 LEU 16 -15.514 -25.643 -5.683 133 HD13 LEU 16 HD13 LEU 16 -14.707 -24.148 -5.206 134 HD21 LEU 16 HD21 LEU 16 -17.034 -23.075 -5.560 135 HD22 LEU 16 HD22 LEU 16 -17.653 -24.616 -6.153 136 HD23 LEU 16 HD23 LEU 16 -17.763 -23.175 -7.163 137 H PHE 17 H PHE 17 -12.953 -24.882 -9.228 138 HA PHE 17 HA PHE 17 -12.946 -23.604 -11.838 139 HB2 PHE 17 HB3 PHE 17 -11.195 -25.252 -11.304 140 HB3 PHE 17 HB2 PHE 17 -12.421 -26.469 -11.010 141 HD1 PHE 17 HD1 PHE 17 -12.287 -28.087 -12.622 142 HD2 PHE 17 HD2 PHE 17 -11.958 -24.007 -13.779 143 HE1 PHE 17 HE1 PHE 17 -12.228 -28.765 -14.982 144 HE2 PHE 17 HE2 PHE 17 -11.898 -24.679 -16.143 145 HZ PHE 17 HZ PHE 17 -12.033 -27.062 -16.748 146 H ILE 18 H ILE 18 -14.751 -23.450 -12.996 147 HA ILE 18 HA ILE 18 -16.939 -25.322 -12.377 148 HB ILE 18 HB ILE 18 -17.283 -22.742 -13.882 149 HG12 ILE 18 HG12 ILE 18 -16.255 -22.076 -11.794 150 HG13 ILE 18 HG13 ILE 18 -17.972 -21.700 -11.724 151 HG21 ILE 18 HG21 ILE 18 -19.089 -24.374 -13.985 152 HG22 ILE 18 HG22 ILE 18 -19.585 -22.941 -13.083 153 HG23 ILE 18 HG23 ILE 18 -19.158 -24.421 -12.222 154 HD11 ILE 18 HD11 ILE 18 -16.607 -24.048 -10.433 155 HD12 ILE 18 HD12 ILE 18 -18.342 -23.720 -10.387 156 HD13 ILE 18 HD13 ILE 18 -17.209 -22.600 -9.622 157 H GLY 19 H GLY 19 -16.463 -26.991 -13.775 158 HA2 GLY 19 HA3 GLY 19 -16.298 -26.293 -16.639 159 HA3 GLY 19 HA2 GLY 19 -15.741 -27.806 -15.932 160 H GLY 20 H GLY 20 -17.816 -27.013 -18.053 161 HA2 GLY 20 HA3 GLY 20 -19.407 -28.765 -18.649 162 HA3 GLY 20 HA2 GLY 20 -19.889 -28.813 -16.962 163 H LEU 21 H LEU 21 -19.399 -25.645 -17.775 164 HA LEU 21 HA LEU 21 -22.248 -25.202 -17.791 165 HB2 LEU 21 HB3 LEU 21 -21.585 -22.778 -17.709 166 HB3 LEU 21 HB2 LEU 21 -21.072 -23.773 -16.362 167 HG LEU 21 HG LEU 21 -18.822 -23.936 -17.667 168 HD11 LEU 21 HD11 LEU 21 -19.838 -21.321 -18.748 169 HD12 LEU 21 HD12 LEU 21 -19.757 -22.804 -19.697 170 HD13 LEU 21 HD13 LEU 21 -18.280 -22.083 -19.055 171 HD21 LEU 21 HD21 LEU 21 -18.041 -21.918 -16.529 172 HD22 LEU 21 HD22 LEU 21 -19.101 -22.884 -15.501 173 HD23 LEU 21 HD23 LEU 21 -19.714 -21.422 -16.271 174 H SER 22 H SER 22 -23.152 -23.507 -19.292 175 HA SER 22 HA SER 22 -22.825 -24.615 -21.922 176 HB2 SER 22 HB3 SER 22 -24.768 -23.207 -22.483 177 HB3 SER 22 HB2 SER 22 -25.052 -24.128 -21.003 178 HG SER 22 HG SER 22 -25.685 -22.028 -20.607 179 H PHE 23 H PHE 23 -23.068 -22.916 -23.798 180 HA PHE 23 HA PHE 23 -20.751 -21.172 -23.624 181 HB2 PHE 23 HB3 PHE 23 -22.622 -21.641 -25.958 182 HB3 PHE 23 HB2 PHE 23 -21.045 -20.857 -26.018 183 HD1 PHE 23 HD1 PHE 23 -22.673 -23.763 -26.790 184 HD2 PHE 23 HD2 PHE 23 -19.150 -22.424 -24.825 185 HE1 PHE 23 HE1 PHE 23 -21.623 -25.949 -27.194 186 HE2 PHE 23 HE2 PHE 23 -18.088 -24.606 -25.226 187 HZ PHE 23 HZ PHE 23 -19.326 -26.372 -26.412 188 H GLU 24 H GLU 24 -23.816 -20.910 -22.668 189 HA GLU 24 HA GLU 24 -24.082 -18.072 -23.371 190 HB2 GLU 24 HB3 GLU 24 -26.099 -19.850 -21.991 191 HB3 GLU 24 HB2 GLU 24 -26.381 -18.251 -22.669 192 HG2 GLU 24 HG3 GLU 24 -25.876 -19.171 -24.913 193 HG3 GLU 24 HG2 GLU 24 -25.748 -20.768 -24.181 194 H THR 25 H THR 25 -22.960 -20.103 -20.987 195 HA THR 25 HA THR 25 -23.685 -18.637 -18.665 196 HB THR 25 HB THR 25 -21.350 -20.524 -19.040 197 HG1 THR 25 HG1 THR 25 -23.813 -21.139 -19.351 198 HG21 THR 25 HG21 THR 25 -22.831 -19.640 -16.554 199 HG22 THR 25 HG22 THR 25 -21.199 -19.155 -17.015 200 HG23 THR 25 HG23 THR 25 -21.537 -20.838 -16.612 201 H THR 26 H THR 26 -23.191 -16.485 -19.031 202 HA THR 26 HA THR 26 -20.462 -15.680 -19.543 203 HB THR 26 HB THR 26 -22.118 -14.301 -20.555 204 HG1 THR 26 HG1 THR 26 -21.406 -12.354 -19.852 205 HG21 THR 26 HG21 THR 26 -23.847 -13.117 -19.277 206 HG22 THR 26 HG22 THR 26 -23.317 -13.937 -17.808 207 HG23 THR 26 HG23 THR 26 -24.016 -14.866 -19.133 208 H ASP 27 H ASP 27 -19.429 -14.060 -18.078 209 HA ASP 27 HA ASP 27 -18.884 -15.363 -15.657 210 HB2 ASP 27 HB3 ASP 27 -17.438 -13.505 -15.152 211 HB3 ASP 27 HB2 ASP 27 -17.286 -13.896 -16.854 212 H GLU 28 H GLU 28 -20.749 -12.477 -16.353 213 HA GLU 28 HA GLU 28 -21.420 -11.803 -13.725 214 HB2 GLU 28 HB3 GLU 28 -23.384 -10.629 -14.785 215 HB3 GLU 28 HB2 GLU 28 -21.803 -10.207 -15.426 216 HG2 GLU 28 HG3 GLU 28 -22.150 -11.543 -17.368 217 HG3 GLU 28 HG2 GLU 28 -23.641 -12.207 -16.704 218 H SER 29 H SER 29 -23.045 -13.967 -16.016 219 HA SER 29 HA SER 29 -25.228 -14.528 -14.269 220 HB2 SER 29 HB3 SER 29 -25.333 -14.885 -16.728 221 HB3 SER 29 HB2 SER 29 -24.149 -16.180 -16.573 222 HG SER 29 HG SER 29 -26.423 -16.829 -16.639 223 H LEU 30 H LEU 30 -22.086 -15.920 -14.892 224 HA LEU 30 HA LEU 30 -22.435 -18.340 -13.477 225 HB2 LEU 30 HB3 LEU 30 -20.620 -17.689 -15.173 226 HB3 LEU 30 HB2 LEU 30 -19.819 -16.885 -13.842 227 HG LEU 30 HG LEU 30 -18.978 -19.197 -14.447 228 HD11 LEU 30 HD11 LEU 30 -18.424 -18.141 -12.328 229 HD12 LEU 30 HD12 LEU 30 -18.651 -19.878 -12.135 230 HD13 LEU 30 HD13 LEU 30 -19.915 -18.762 -11.621 231 HD21 LEU 30 HD21 LEU 30 -21.556 -20.020 -13.124 232 HD22 LEU 30 HD22 LEU 30 -20.225 -21.097 -13.545 233 HD23 LEU 30 HD23 LEU 30 -21.124 -20.269 -14.816 234 H ARG 31 H ARG 31 -21.144 -15.164 -12.539 235 HA ARG 31 HA ARG 31 -20.498 -15.958 -9.902 236 HB2 ARG 31 HB3 ARG 31 -19.841 -13.796 -9.523 237 HB3 ARG 31 HB2 ARG 31 -19.797 -13.810 -11.279 238 HG2 ARG 31 HG3 ARG 31 -22.015 -12.761 -11.329 239 HG3 ARG 31 HG2 ARG 31 -22.018 -12.735 -9.560 240 HD2 ARG 31 HD3 ARG 31 -20.207 -11.217 -9.486 241 HD3 ARG 31 HD2 ARG 31 -19.867 -11.427 -11.202 242 HE ARG 31 HE ARG 31 -21.680 -10.044 -11.723 243 HH11 ARG 31 HH11 ARG 31 -21.425 -10.509 -8.260 244 HH12 ARG 31 HH12 ARG 31 -22.375 -9.108 -7.877 245 HH21 ARG 31 HH21 ARG 31 -22.916 -8.211 -11.229 246 HH22 ARG 31 HH22 ARG 31 -23.225 -7.791 -9.567 247 H SER 32 H SER 32 -23.410 -14.596 -11.368 248 HA SER 32 HA SER 32 -24.755 -13.961 -8.994 249 HB2 SER 32 HB3 SER 32 -25.461 -13.182 -11.230 250 HB3 SER 32 HB2 SER 32 -25.933 -14.826 -11.651 251 HG SER 32 HG SER 32 -27.068 -13.163 -9.635 252 H HIS 33 H HIS 33 -24.460 -17.003 -10.745 253 HA HIS 33 HA HIS 33 -26.376 -18.333 -9.060 254 HB2 HIS 33 HB3 HIS 33 -24.493 -19.309 -11.203 255 HB3 HIS 33 HB2 HIS 33 -25.487 -20.409 -10.251 256 HD2 HIS 33 HD2 HIS 33 -25.985 -17.495 -12.838 257 HE1 HIS 33 HE1 HIS 33 -29.456 -19.900 -12.697 258 HE2 HIS 33 HE2 HIS 33 -28.411 -17.822 -13.702 259 H PHE 34 H PHE 34 -22.922 -17.832 -9.031 260 HA PHE 34 HA PHE 34 -22.617 -19.935 -7.033 261 HB2 PHE 34 HB3 PHE 34 -20.681 -18.413 -8.725 262 HB3 PHE 34 HB2 PHE 34 -20.122 -19.211 -7.255 263 HD1 PHE 34 HD1 PHE 34 -19.909 -21.561 -7.132 264 HD2 PHE 34 HD2 PHE 34 -21.685 -19.756 -10.548 265 HE1 PHE 34 HE1 PHE 34 -19.803 -23.711 -8.316 266 HE2 PHE 34 HE2 PHE 34 -21.581 -21.905 -11.741 267 HZ PHE 34 HZ PHE 34 -20.640 -23.886 -10.625 268 H GLU 35 H GLU 35 -22.976 -16.537 -7.154 269 HA GLU 35 HA GLU 35 -21.724 -16.041 -4.612 270 HB2 GLU 35 HB3 GLU 35 -23.499 -14.351 -6.358 271 HB3 GLU 35 HB2 GLU 35 -22.910 -13.809 -4.791 272 HG2 GLU 35 HG3 GLU 35 -20.605 -14.079 -5.574 273 HG3 GLU 35 HG2 GLU 35 -21.210 -14.593 -7.148 274 H GLN 36 H GLN 36 -24.165 -17.886 -5.207 275 HA GLN 36 HA GLN 36 -26.128 -16.870 -3.354 276 HB2 GLN 36 HB3 GLN 36 -25.893 -19.254 -5.129 277 HB3 GLN 36 HB2 GLN 36 -27.003 -19.331 -3.768 278 HG2 GLN 36 HG3 GLN 36 -28.279 -17.518 -4.581 279 HG3 GLN 36 HG2 GLN 36 -27.052 -17.094 -5.770 280 HE21 GLN 36 HE21 GLN 36 -26.563 -19.766 -6.669 281 HE22 GLN 36 HE22 GLN 36 -27.945 -20.251 -7.590 282 H TRP 37 H TRP 37 -23.554 -19.278 -3.355 283 HA TRP 37 HA TRP 37 -24.202 -19.910 -0.560 284 HB2 TRP 37 HB3 TRP 37 -22.470 -21.424 -2.527 285 HB3 TRP 37 HB2 TRP 37 -22.737 -21.891 -0.851 286 HD1 TRP 37 HD1 TRP 37 -25.033 -23.060 -0.250 287 HE1 TRP 37 HE1 TRP 37 -26.951 -24.006 -1.675 288 HE3 TRP 37 HE3 TRP 37 -23.727 -21.052 -4.756 289 HZ2 TRP 37 HZ2 TRP 37 -27.794 -23.917 -4.372 290 HZ3 TRP 37 HZ3 TRP 37 -25.139 -21.540 -6.711 291 HH2 TRP 37 HH2 TRP 37 -27.126 -22.941 -6.526 292 H GLY 38 H GLY 38 -22.337 -17.816 -2.195 293 HA2 GLY 38 HA3 GLY 38 -20.742 -17.188 0.032 294 HA3 GLY 38 HA2 GLY 38 -19.776 -18.124 -1.097 295 H THR 39 H THR 39 -18.858 -15.740 -0.563 296 HA THR 39 HA THR 39 -19.781 -13.819 -2.561 297 HB THR 39 HB THR 39 -17.560 -13.626 -0.513 298 HG1 THR 39 HG1 THR 39 -20.288 -12.786 -0.476 299 HG21 THR 39 HG21 THR 39 -17.694 -11.204 -0.917 300 HG22 THR 39 HG22 THR 39 -18.856 -11.494 -2.212 301 HG23 THR 39 HG23 THR 39 -17.202 -12.093 -2.359 302 H LEU 40 H LEU 40 -18.835 -13.699 -4.566 303 HA LEU 40 HA LEU 40 -16.240 -15.005 -4.943 304 HB2 LEU 40 HB3 LEU 40 -18.006 -13.812 -7.074 305 HB3 LEU 40 HB2 LEU 40 -16.676 -14.930 -7.296 306 HG LEU 40 HG LEU 40 -19.209 -15.619 -5.851 307 HD11 LEU 40 HD11 LEU 40 -19.730 -16.949 -7.866 308 HD12 LEU 40 HD12 LEU 40 -18.404 -16.122 -8.683 309 HD13 LEU 40 HD13 LEU 40 -19.791 -15.204 -8.111 310 HD21 LEU 40 HD21 LEU 40 -18.331 -17.949 -6.365 311 HD22 LEU 40 HD22 LEU 40 -17.559 -17.037 -5.070 312 HD23 LEU 40 HD23 LEU 40 -16.782 -17.148 -6.645 313 H THR 41 H THR 41 -14.544 -13.767 -4.591 314 HA THR 41 HA THR 41 -14.665 -10.894 -4.909 315 HB THR 41 HB THR 41 -12.323 -10.950 -4.101 316 HG1 THR 41 HG1 THR 41 -11.353 -12.788 -4.615 317 HG21 THR 41 HG21 THR 41 -14.172 -10.903 -2.484 318 HG22 THR 41 HG22 THR 41 -12.795 -11.810 -1.858 319 HG23 THR 41 HG23 THR 41 -14.209 -12.667 -2.477 320 H ASP 42 H ASP 42 -13.678 -13.656 -6.683 321 HA ASP 42 HA ASP 42 -12.914 -11.930 -8.914 322 HB2 ASP 42 HB3 ASP 42 -10.801 -12.652 -7.898 323 HB3 ASP 42 HB2 ASP 42 -11.303 -14.333 -8.024 324 H CYS 43 H CYS 43 -14.635 -12.380 -10.168 325 HA CYS 43 HA CYS 43 -15.079 -15.219 -10.769 326 HB2 CYS 43 HB3 CYS 43 -17.337 -14.477 -11.604 327 HB3 CYS 43 HB2 CYS 43 -17.095 -14.300 -9.872 328 HG CYS 43 HG CYS 43 -16.193 -11.453 -10.768 329 H VAL 44 H VAL 44 -14.665 -15.922 -12.760 330 HA VAL 44 HA VAL 44 -14.580 -14.071 -14.990 331 HB VAL 44 HB VAL 44 -12.341 -13.782 -14.144 332 HG11 VAL 44 HG11 VAL 44 -10.775 -15.654 -13.902 333 HG12 VAL 44 HG12 VAL 44 -12.081 -16.784 -14.257 334 HG13 VAL 44 HG13 VAL 44 -12.143 -15.794 -12.799 335 HG21 VAL 44 HG21 VAL 44 -12.334 -15.613 -16.540 336 HG22 VAL 44 HG22 VAL 44 -11.025 -14.529 -16.067 337 HG23 VAL 44 HG23 VAL 44 -12.582 -13.866 -16.562 338 H VAL 45 H VAL 45 -15.250 -15.016 -16.786 339 HA VAL 45 HA VAL 45 -15.187 -17.958 -16.916 340 HB VAL 45 HB VAL 45 -17.225 -16.040 -18.060 341 HG11 VAL 45 HG11 VAL 45 -16.685 -17.731 -19.741 342 HG12 VAL 45 HG12 VAL 45 -18.303 -17.984 -19.082 343 HG13 VAL 45 HG13 VAL 45 -16.966 -19.006 -18.556 344 HG21 VAL 45 HG21 VAL 45 -17.478 -18.375 -16.167 345 HG22 VAL 45 HG22 VAL 45 -18.796 -17.346 -16.731 346 HG23 VAL 45 HG23 VAL 45 -17.521 -16.672 -15.715 347 H MET 46 H MET 46 -14.297 -18.886 -18.671 348 HA MET 46 HA MET 46 -12.616 -17.217 -20.297 349 HB2 MET 46 HB3 MET 46 -13.070 -20.205 -20.422 350 HB3 MET 46 HB2 MET 46 -11.779 -19.320 -21.227 351 HG2 MET 46 HG3 MET 46 -12.172 -19.682 -18.270 352 HG3 MET 46 HG2 MET 46 -10.894 -20.364 -19.276 353 HE1 MET 46 HE1 MET 46 -9.183 -19.489 -17.476 354 HE2 MET 46 HE2 MET 46 -10.450 -18.700 -16.533 355 HE3 MET 46 HE3 MET 46 -9.013 -17.793 -17.009 356 H ARG 47 H ARG 47 -12.899 -16.660 -22.375 357 HA ARG 47 HA ARG 47 -15.178 -17.850 -23.804 358 HB2 ARG 47 HB3 ARG 47 -14.317 -14.984 -24.178 359 HB3 ARG 47 HB2 ARG 47 -15.793 -15.758 -24.747 360 HG2 ARG 47 HG3 ARG 47 -16.835 -15.044 -22.932 361 HG3 ARG 47 HG2 ARG 47 -15.741 -16.007 -21.932 362 HD2 ARG 47 HD3 ARG 47 -14.099 -14.057 -22.216 363 HD3 ARG 47 HD2 ARG 47 -15.499 -13.133 -22.757 364 HE ARG 47 HE ARG 47 -15.037 -14.206 -20.071 365 HH11 ARG 47 HH11 ARG 47 -17.053 -12.341 -22.254 366 HH12 ARG 47 HH12 ARG 47 -17.912 -11.544 -20.974 367 HH21 ARG 47 HH21 ARG 47 -16.129 -13.122 -18.405 368 HH22 ARG 47 HH22 ARG 47 -17.405 -12.001 -18.789 369 H ASP 48 H ASP 48 -14.950 -17.911 -26.078 370 HA ASP 48 HA ASP 48 -12.367 -18.559 -27.026 371 HB2 ASP 48 HB3 ASP 48 -14.684 -19.250 -27.950 372 HB3 ASP 48 HB2 ASP 48 -14.646 -17.702 -28.784 373 HA PRO 49 HA PRO 49 -10.838 -14.461 -27.844 374 HB2 PRO 49 HB3 PRO 49 -8.879 -15.100 -29.619 375 HB3 PRO 49 HB2 PRO 49 -8.729 -15.357 -27.877 376 HG2 PRO 49 HG3 PRO 49 -9.457 -17.312 -30.027 377 HG3 PRO 49 HG2 PRO 49 -8.360 -17.521 -28.647 378 HD2 PRO 49 HD3 PRO 49 -10.880 -18.480 -28.636 379 HD3 PRO 49 HD2 PRO 49 -10.094 -17.874 -27.163 380 H ASN 50 H ASN 50 -12.242 -16.517 -30.202 381 HA ASN 50 HA ASN 50 -12.187 -14.379 -32.230 382 HB2 ASN 50 HB3 ASN 50 -13.046 -17.217 -32.754 383 HB3 ASN 50 HB2 ASN 50 -12.452 -16.019 -33.899 384 HD21 ASN 50 HD21 ASN 50 -11.623 -18.271 -31.400 385 HD22 ASN 50 HD22 ASN 50 -9.916 -18.371 -31.779 386 H THR 51 H THR 51 -14.329 -16.809 -30.743 387 HA THR 51 HA THR 51 -16.644 -15.558 -31.944 388 HB THR 51 HB THR 51 -17.941 -17.353 -31.077 389 HG1 THR 51 HG1 THR 51 -17.024 -18.825 -29.517 390 HG21 THR 51 HG21 THR 51 -16.458 -17.988 -32.915 391 HG22 THR 51 HG22 THR 51 -16.706 -19.341 -31.810 392 HG23 THR 51 HG23 THR 51 -15.200 -18.424 -31.756 393 H LYS 52 H LYS 52 -15.010 -15.618 -28.884 394 HA LYS 52 HA LYS 52 -15.258 -14.495 -26.943 395 HB2 LYS 52 HB3 LYS 52 -17.258 -12.857 -28.505 396 HB3 LYS 52 HB2 LYS 52 -16.741 -12.484 -26.866 397 HG2 LYS 52 HG3 LYS 52 -14.992 -12.573 -29.316 398 HG3 LYS 52 HG2 LYS 52 -15.530 -11.129 -28.456 399 HD2 LYS 52 HD3 LYS 52 -13.833 -13.311 -27.248 400 HD3 LYS 52 HD2 LYS 52 -13.198 -11.810 -27.919 401 HE2 LYS 52 HE3 LYS 52 -15.192 -11.963 -25.661 402 HE3 LYS 52 HE2 LYS 52 -13.451 -11.788 -25.444 403 HZ1 LYS 52 HZ1 LYS 52 -15.201 -9.872 -26.896 404 HZ2 LYS 52 HZ2 LYS 52 -13.532 -9.701 -26.637 405 HZ3 LYS 52 HZ3 LYS 52 -14.602 -9.661 -25.322 406 H ARG 53 H ARG 53 -16.966 -16.782 -27.795 407 HA ARG 53 HA ARG 53 -19.182 -16.472 -25.902 408 HB2 ARG 53 HB3 ARG 53 -18.653 -18.303 -28.196 409 HB3 ARG 53 HB2 ARG 53 -19.605 -18.930 -26.858 410 HG2 ARG 53 HG3 ARG 53 -21.055 -18.062 -28.576 411 HG3 ARG 53 HG2 ARG 53 -21.184 -17.074 -27.124 412 HD2 ARG 53 HD3 ARG 53 -19.593 -15.462 -28.162 413 HD3 ARG 53 HD2 ARG 53 -19.660 -16.419 -29.641 414 HE ARG 53 HE ARG 53 -22.262 -15.918 -29.164 415 HH11 ARG 53 HH11 ARG 53 -19.452 -13.827 -29.360 416 HH12 ARG 53 HH12 ARG 53 -20.373 -12.419 -29.803 417 HH21 ARG 53 HH21 ARG 53 -23.463 -14.097 -29.755 418 HH22 ARG 53 HH22 ARG 53 -22.672 -12.572 -30.025 419 H SER 54 H SER 54 -19.522 -18.224 -24.340 420 HA SER 54 HA SER 54 -17.287 -18.547 -22.728 421 HB2 SER 54 HB3 SER 54 -19.765 -20.280 -22.683 422 HB3 SER 54 HB2 SER 54 -18.681 -19.933 -21.335 423 HG SER 54 HG SER 54 -20.035 -18.367 -20.957 424 H ARG 55 H ARG 55 -15.917 -20.214 -22.272 425 HA ARG 55 HA ARG 55 -15.430 -22.046 -24.468 426 HB2 ARG 55 HB3 ARG 55 -13.897 -21.290 -21.993 427 HB3 ARG 55 HB2 ARG 55 -13.380 -22.596 -23.042 428 HG2 ARG 55 HG3 ARG 55 -13.825 -19.768 -23.973 429 HG3 ARG 55 HG2 ARG 55 -12.262 -20.400 -23.455 430 HD2 ARG 55 HD3 ARG 55 -13.893 -21.617 -25.677 431 HD3 ARG 55 HD2 ARG 55 -12.662 -20.384 -25.942 432 HE ARG 55 HE ARG 55 -11.650 -22.590 -24.444 433 HH11 ARG 55 HH11 ARG 55 -12.428 -21.550 -27.707 434 HH12 ARG 55 HH12 ARG 55 -11.296 -22.637 -28.448 435 HH21 ARG 55 HH21 ARG 55 -10.157 -24.004 -25.424 436 HH22 ARG 55 HH22 ARG 55 -10.010 -24.031 -27.159 437 H GLY 56 H GLY 56 -17.493 -22.288 -22.041 438 HA2 GLY 56 HA3 GLY 56 -18.641 -24.228 -21.418 439 HA3 GLY 56 HA2 GLY 56 -17.290 -25.187 -22.005 440 H PHE 57 H PHE 57 -16.096 -22.738 -20.112 441 HA PHE 57 HA PHE 57 -16.649 -23.858 -17.533 442 HB2 PHE 57 HB3 PHE 57 -14.224 -24.299 -16.989 443 HB3 PHE 57 HB2 PHE 57 -14.985 -25.463 -18.061 444 HD1 PHE 57 HD1 PHE 57 -12.838 -22.418 -18.115 445 HD2 PHE 57 HD2 PHE 57 -13.970 -26.049 -20.019 446 HE1 PHE 57 HE1 PHE 57 -11.020 -22.119 -19.745 447 HE2 PHE 57 HE2 PHE 57 -12.170 -25.742 -21.675 448 HZ PHE 57 HZ PHE 57 -10.694 -23.774 -21.541 449 H GLY 58 H GLY 58 -15.582 -22.692 -15.785 450 HA2 GLY 58 HA3 GLY 58 -14.346 -20.146 -16.413 451 HA3 GLY 58 HA2 GLY 58 -15.964 -20.035 -15.731 452 H PHE 59 H PHE 59 -14.333 -18.822 -14.178 453 HA PHE 59 HA PHE 59 -13.738 -20.711 -12.009 454 HB2 PHE 59 HB3 PHE 59 -11.937 -18.481 -12.958 455 HB3 PHE 59 HB2 PHE 59 -11.701 -19.381 -11.469 456 HD1 PHE 59 HD1 PHE 59 -11.044 -21.733 -11.531 457 HD2 PHE 59 HD2 PHE 59 -11.361 -19.411 -15.081 458 HE1 PHE 59 HE1 PHE 59 -9.713 -23.408 -12.744 459 HE2 PHE 59 HE2 PHE 59 -10.037 -21.084 -16.301 460 HZ PHE 59 HZ PHE 59 -9.206 -23.081 -15.132 461 H VAL 60 H VAL 60 -13.923 -19.904 -9.947 462 HA VAL 60 HA VAL 60 -14.859 -17.163 -9.546 463 HB VAL 60 HB VAL 60 -16.653 -18.236 -7.979 464 HG11 VAL 60 HG11 VAL 60 -17.067 -16.699 -9.803 465 HG12 VAL 60 HG12 VAL 60 -18.275 -17.989 -9.781 466 HG13 VAL 60 HG13 VAL 60 -16.962 -18.028 -10.959 467 HG21 VAL 60 HG21 VAL 60 -17.683 -20.226 -8.980 468 HG22 VAL 60 HG22 VAL 60 -16.067 -20.549 -8.354 469 HG23 VAL 60 HG23 VAL 60 -16.316 -20.354 -10.088 470 H THR 61 H THR 61 -13.525 -16.386 -8.115 471 HA THR 61 HA THR 61 -12.363 -18.113 -6.066 472 HB THR 61 HB THR 61 -11.839 -15.172 -6.548 473 HG1 THR 61 HG1 THR 61 -9.969 -15.908 -7.675 474 HG21 THR 61 HG21 THR 61 -9.764 -15.603 -5.311 475 HG22 THR 61 HG22 THR 61 -10.263 -17.277 -5.061 476 HG23 THR 61 HG23 THR 61 -11.187 -15.962 -4.332 477 H TYR 62 H TYR 62 -13.442 -18.343 -4.229 478 HA TYR 62 HA TYR 62 -15.447 -16.415 -3.457 479 HB2 TYR 62 HB3 TYR 62 -14.521 -19.027 -2.287 480 HB3 TYR 62 HB2 TYR 62 -15.649 -17.976 -1.443 481 HD1 TYR 62 HD1 TYR 62 -17.925 -17.804 -2.116 482 HD2 TYR 62 HD2 TYR 62 -15.193 -20.103 -4.431 483 HE1 TYR 62 HE1 TYR 62 -19.818 -18.822 -3.331 484 HE2 TYR 62 HE2 TYR 62 -17.073 -21.117 -5.652 485 HH TYR 62 HH TYR 62 -20.280 -19.911 -5.401 486 H ALA 63 H ALA 63 -15.523 -15.623 -1.202 487 HA ALA 63 HA ALA 63 -13.243 -14.040 -0.679 488 HB1 ALA 63 HB1 ALA 63 -14.460 -13.263 1.286 489 HB2 ALA 63 HB2 ALA 63 -15.610 -14.588 1.110 490 HB3 ALA 63 HB3 ALA 63 -15.521 -13.330 -0.124 491 H THR 64 H THR 64 -14.238 -17.145 0.396 492 HA THR 64 HA THR 64 -11.735 -17.616 1.693 493 HB THR 64 HB THR 64 -12.776 -16.606 3.598 494 HG1 THR 64 HG1 THR 64 -12.609 -18.282 5.017 495 HG21 THR 64 HG21 THR 64 -14.940 -17.243 4.466 496 HG22 THR 64 HG22 THR 64 -15.123 -18.458 3.202 497 HG23 THR 64 HG23 THR 64 -15.109 -16.745 2.780 498 H VAL 65 H VAL 65 -11.574 -19.884 2.419 499 HA VAL 65 HA VAL 65 -12.501 -21.675 0.466 500 HB VAL 65 HB VAL 65 -10.451 -22.084 1.691 501 HG11 VAL 65 HG11 VAL 65 -12.197 -22.453 4.121 502 HG12 VAL 65 HG12 VAL 65 -11.065 -21.132 3.837 503 HG13 VAL 65 HG13 VAL 65 -10.465 -22.778 4.044 504 HG21 VAL 65 HG21 VAL 65 -11.570 -24.024 0.769 505 HG22 VAL 65 HG22 VAL 65 -12.516 -24.208 2.246 506 HG23 VAL 65 HG23 VAL 65 -10.769 -24.445 2.282 507 H GLU 66 H GLU 66 -13.841 -20.692 3.520 508 HA GLU 66 HA GLU 66 -15.582 -22.838 4.015 509 HB2 GLU 66 HB3 GLU 66 -15.885 -19.915 4.722 510 HB3 GLU 66 HB2 GLU 66 -16.826 -21.228 5.419 511 HG2 GLU 66 HG3 GLU 66 -13.837 -20.951 5.623 512 HG3 GLU 66 HG2 GLU 66 -14.989 -20.478 6.871 513 H GLU 67 H GLU 67 -15.887 -20.008 1.983 514 HA GLU 67 HA GLU 67 -18.644 -20.286 1.353 515 HB2 GLU 67 HB3 GLU 67 -16.483 -19.079 -0.366 516 HB3 GLU 67 HB2 GLU 67 -18.198 -18.715 -0.415 517 HG2 GLU 67 HG3 GLU 67 -16.551 -18.178 2.021 518 HG3 GLU 67 HG2 GLU 67 -16.629 -17.033 0.686 519 H VAL 68 H VAL 68 -15.645 -21.458 -0.040 520 HA VAL 68 HA VAL 68 -16.622 -22.541 -2.430 521 HB VAL 68 HB VAL 68 -14.214 -23.201 -0.743 522 HG11 VAL 68 HG11 VAL 68 -14.984 -24.417 -3.391 523 HG12 VAL 68 HG12 VAL 68 -14.751 -25.260 -1.861 524 HG13 VAL 68 HG13 VAL 68 -13.373 -24.517 -2.677 525 HG21 VAL 68 HG21 VAL 68 -13.001 -22.118 -2.554 526 HG22 VAL 68 HG22 VAL 68 -14.241 -21.044 -1.904 527 HG23 VAL 68 HG23 VAL 68 -14.510 -21.879 -3.435 528 H ASP 69 H ASP 69 -16.194 -24.015 0.770 529 HA ASP 69 HA ASP 69 -16.957 -26.621 0.099 530 HB2 ASP 69 HB3 ASP 69 -15.941 -25.872 2.288 531 HB3 ASP 69 HB2 ASP 69 -17.539 -25.283 2.742 532 H ALA 70 H ALA 70 -18.932 -23.881 1.195 533 HA ALA 70 HA ALA 70 -21.388 -25.205 1.326 534 HB1 ALA 70 HB1 ALA 70 -20.861 -22.320 0.626 535 HB2 ALA 70 HB2 ALA 70 -21.048 -22.976 2.253 536 HB3 ALA 70 HB3 ALA 70 -22.410 -22.991 1.131 537 H ALA 71 H ALA 71 -19.777 -23.612 -1.389 538 HA ALA 71 HA ALA 71 -21.884 -23.921 -3.248 539 HB1 ALA 71 HB1 ALA 71 -20.046 -22.345 -3.581 540 HB2 ALA 71 HB2 ALA 71 -20.204 -23.449 -4.949 541 HB3 ALA 71 HB3 ALA 71 -18.921 -23.693 -3.762 542 H MET 72 H MET 72 -19.098 -25.943 -2.415 543 HA MET 72 HA MET 72 -19.508 -27.872 -4.452 544 HB2 MET 72 HB3 MET 72 -18.128 -28.137 -1.774 545 HB3 MET 72 HB2 MET 72 -18.082 -29.354 -3.038 546 HG2 MET 72 HG3 MET 72 -17.027 -27.608 -4.523 547 HG3 MET 72 HG2 MET 72 -16.890 -26.599 -3.086 548 HE1 MET 72 HE1 MET 72 -13.248 -28.019 -3.896 549 HE2 MET 72 HE2 MET 72 -14.231 -26.557 -3.811 550 HE3 MET 72 HE3 MET 72 -14.520 -27.742 -5.087 551 H ASN 73 H ASN 73 -20.696 -27.543 -1.162 552 HA ASN 73 HA ASN 73 -21.872 -30.124 -0.960 553 HB2 ASN 73 HB3 ASN 73 -22.522 -27.565 0.523 554 HB3 ASN 73 HB2 ASN 73 -23.100 -29.166 0.971 555 HD21 ASN 73 HD21 ASN 73 -21.338 -27.157 2.312 556 HD22 ASN 73 HD22 ASN 73 -19.892 -28.020 2.725 557 H ALA 74 H ALA 74 -22.738 -27.341 -2.659 558 HA ALA 74 HA ALA 74 -25.597 -27.812 -2.585 559 HB1 ALA 74 HB1 ALA 74 -23.982 -25.784 -4.125 560 HB2 ALA 74 HB2 ALA 74 -24.706 -25.528 -2.534 561 HB3 ALA 74 HB3 ALA 74 -25.737 -25.799 -3.943 562 H ARG 75 H ARG 75 -23.648 -29.754 -3.836 563 HA ARG 75 HA ARG 75 -24.103 -29.669 -6.650 564 HB2 ARG 75 HB3 ARG 75 -22.865 -31.627 -6.792 565 HB3 ARG 75 HB2 ARG 75 -22.225 -30.904 -5.327 566 HG2 ARG 75 HG3 ARG 75 -24.354 -33.033 -5.357 567 HG3 ARG 75 HG2 ARG 75 -22.630 -33.361 -5.206 568 HD2 ARG 75 HD3 ARG 75 -24.187 -31.606 -3.313 569 HD3 ARG 75 HD2 ARG 75 -23.897 -33.323 -3.046 570 HE ARG 75 HE ARG 75 -21.540 -31.681 -3.477 571 HH11 ARG 75 HH11 ARG 75 -23.703 -33.183 -1.144 572 HH12 ARG 75 HH12 ARG 75 -22.536 -33.113 0.148 573 HH21 ARG 75 HH21 ARG 75 -20.021 -31.615 -1.763 574 HH22 ARG 75 HH22 ARG 75 -20.479 -32.216 -0.193 575 HA PRO 76 HA PRO 76 -24.363 -30.950 -8.313 576 HB2 PRO 76 HB3 PRO 76 -26.536 -31.077 -10.183 577 HB3 PRO 76 HB2 PRO 76 -25.261 -32.267 -9.917 578 HG2 PRO 76 HG3 PRO 76 -27.924 -32.673 -9.333 579 HG3 PRO 76 HG2 PRO 76 -26.584 -33.560 -8.589 580 HD2 PRO 76 HD3 PRO 76 -28.158 -31.251 -7.520 581 HD3 PRO 76 HD2 PRO 76 -27.534 -32.683 -6.676 582 H HIS 77 H HIS 77 -23.781 -28.996 -8.959 583 HA HIS 77 HA HIS 77 -25.388 -26.727 -8.384 584 HB2 HIS 77 HB3 HIS 77 -22.758 -27.017 -8.581 585 HB3 HIS 77 HB2 HIS 77 -23.062 -26.493 -10.237 586 HD2 HIS 77 HD2 HIS 77 -22.502 -25.019 -6.819 587 HE1 HIS 77 HE1 HIS 77 -24.338 -22.001 -9.157 588 HE2 HIS 77 HE2 HIS 77 -23.282 -22.547 -6.916 589 H LYS 78 H LYS 78 -26.153 -25.127 -9.883 590 HA LYS 78 HA LYS 78 -26.736 -26.103 -12.570 591 HB2 LYS 78 HB3 LYS 78 -28.590 -26.918 -11.172 592 HB3 LYS 78 HB2 LYS 78 -28.871 -25.285 -10.584 593 HG2 LYS 78 HG3 LYS 78 -30.507 -25.676 -12.220 594 HG3 LYS 78 HG2 LYS 78 -29.308 -24.631 -12.984 595 HD2 LYS 78 HD3 LYS 78 -29.702 -26.226 -14.615 596 HD3 LYS 78 HD2 LYS 78 -28.262 -26.850 -13.811 597 HE2 LYS 78 HE3 LYS 78 -29.826 -28.649 -14.171 598 HE3 LYS 78 HE2 LYS 78 -29.700 -28.318 -12.445 599 HZ1 LYS 78 HZ1 LYS 78 -32.003 -28.662 -13.253 600 HZ2 LYS 78 HZ2 LYS 78 -31.861 -27.248 -14.180 601 HZ3 LYS 78 HZ3 LYS 78 -31.771 -27.169 -12.487 602 H VAL 79 H VAL 79 -25.795 -24.486 -13.650 603 HA VAL 79 HA VAL 79 -26.765 -21.758 -13.112 604 HB VAL 79 HB VAL 79 -24.540 -21.619 -12.375 605 HG11 VAL 79 HG11 VAL 79 -22.618 -22.536 -13.588 606 HG12 VAL 79 HG12 VAL 79 -23.722 -23.250 -14.766 607 HG13 VAL 79 HG13 VAL 79 -23.762 -23.783 -13.082 608 HG21 VAL 79 HG21 VAL 79 -23.360 -20.267 -14.041 609 HG22 VAL 79 HG22 VAL 79 -25.066 -19.832 -13.935 610 HG23 VAL 79 HG23 VAL 79 -24.488 -20.816 -15.280 611 H ASP 80 H ASP 80 -27.558 -20.696 -14.829 612 HA ASP 80 HA ASP 80 -28.493 -20.379 -16.877 613 HB2 ASP 80 HB3 ASP 80 -26.054 -20.217 -17.546 614 HB3 ASP 80 HB2 ASP 80 -26.131 -21.918 -17.993 615 H GLY 81 H GLY 81 -29.128 -22.743 -15.290 616 HA2 GLY 81 HA3 GLY 81 -30.457 -24.614 -15.494 617 HA3 GLY 81 HA2 GLY 81 -30.668 -24.197 -17.190 618 H ARG 82 H ARG 82 -27.455 -24.489 -16.102 619 HA ARG 82 HA ARG 82 -27.222 -27.099 -17.441 620 HB2 ARG 82 HB3 ARG 82 -26.157 -25.253 -18.655 621 HB3 ARG 82 HB2 ARG 82 -25.224 -24.837 -17.226 622 HG2 ARG 82 HG3 ARG 82 -23.923 -26.062 -18.908 623 HG3 ARG 82 HG2 ARG 82 -24.005 -26.904 -17.360 624 HD2 ARG 82 HD3 ARG 82 -24.303 -28.407 -19.292 625 HD3 ARG 82 HD2 ARG 82 -25.692 -28.394 -18.208 626 HE ARG 82 HE ARG 82 -26.230 -26.510 -20.156 627 HH11 ARG 82 HH11 ARG 82 -25.638 -29.955 -19.996 628 HH12 ARG 82 HH12 ARG 82 -26.584 -30.319 -21.412 629 HH21 ARG 82 HH21 ARG 82 -27.484 -26.970 -22.003 630 HH22 ARG 82 HH22 ARG 82 -27.650 -28.617 -22.548 631 H VAL 83 H VAL 83 -26.243 -28.741 -16.360 632 HA VAL 83 HA VAL 83 -25.578 -28.319 -13.571 633 HB VAL 83 HB VAL 83 -25.472 -30.862 -15.208 634 HG11 VAL 83 HG11 VAL 83 -24.051 -30.977 -13.240 635 HG12 VAL 83 HG12 VAL 83 -25.471 -32.001 -13.033 636 HG13 VAL 83 HG13 VAL 83 -25.386 -30.438 -12.223 637 HG21 VAL 83 HG21 VAL 83 -27.596 -31.422 -14.116 638 HG22 VAL 83 HG22 VAL 83 -27.730 -29.972 -15.112 639 HG23 VAL 83 HG23 VAL 83 -27.617 -29.830 -13.358 640 H VAL 84 H VAL 84 -23.601 -27.889 -12.877 641 HA VAL 84 HA VAL 84 -21.332 -28.486 -14.664 642 HB VAL 84 HB VAL 84 -20.178 -26.542 -13.766 643 HG11 VAL 84 HG11 VAL 84 -21.539 -26.232 -15.749 644 HG12 VAL 84 HG12 VAL 84 -21.568 -24.781 -14.748 645 HG13 VAL 84 HG13 VAL 84 -22.947 -25.878 -14.747 646 HG21 VAL 84 HG21 VAL 84 -22.704 -25.992 -12.207 647 HG22 VAL 84 HG22 VAL 84 -21.284 -24.948 -12.292 648 HG23 VAL 84 HG23 VAL 84 -21.169 -26.531 -11.523 649 H GLU 85 H GLU 85 -19.215 -28.580 -13.458 650 HA GLU 85 HA GLU 85 -19.583 -29.787 -10.796 651 HB2 GLU 85 HB3 GLU 85 -17.548 -30.465 -12.920 652 HB3 GLU 85 HB2 GLU 85 -17.445 -31.028 -11.258 653 HG2 GLU 85 HG3 GLU 85 -19.734 -32.049 -11.613 654 HG3 GLU 85 HG2 GLU 85 -19.498 -31.718 -13.330 655 HA PRO 86 HA PRO 86 -16.921 -26.305 -9.880 656 HB2 PRO 86 HB3 PRO 86 -17.931 -26.001 -7.337 657 HB3 PRO 86 HB2 PRO 86 -18.619 -25.270 -8.787 658 HG2 PRO 86 HG3 PRO 86 -19.725 -27.348 -7.127 659 HG3 PRO 86 HG2 PRO 86 -20.460 -26.540 -8.519 660 HD2 PRO 86 HD3 PRO 86 -19.147 -29.160 -8.366 661 HD3 PRO 86 HD2 PRO 86 -20.233 -28.513 -9.611 662 H LYS 87 H LYS 87 -14.892 -27.078 -9.630 663 HA LYS 87 HA LYS 87 -14.346 -28.730 -7.245 664 HB2 LYS 87 HB3 LYS 87 -12.689 -29.937 -8.480 665 HB3 LYS 87 HB2 LYS 87 -14.137 -29.888 -9.463 666 HG2 LYS 87 HG3 LYS 87 -13.217 -28.222 -10.874 667 HG3 LYS 87 HG2 LYS 87 -11.818 -28.030 -9.813 668 HD2 LYS 87 HD3 LYS 87 -11.117 -29.367 -11.641 669 HD3 LYS 87 HD2 LYS 87 -11.286 -30.441 -10.255 670 HE2 LYS 87 HE3 LYS 87 -13.412 -30.073 -12.357 671 HE3 LYS 87 HE2 LYS 87 -12.178 -31.318 -12.416 672 HZ1 LYS 87 HZ1 LYS 87 -14.225 -31.021 -10.290 673 HZ2 LYS 87 HZ2 LYS 87 -13.020 -32.210 -10.332 674 HZ3 LYS 87 HZ3 LYS 87 -14.224 -32.184 -11.522 675 H ARG 88 H ARG 88 -12.025 -28.587 -6.529 676 HA ARG 88 HA ARG 88 -11.274 -25.915 -6.007 677 HB2 ARG 88 HB3 ARG 88 -10.548 -28.446 -5.086 678 HB3 ARG 88 HB2 ARG 88 -9.082 -27.820 -5.820 679 HG2 ARG 88 HG3 ARG 88 -8.990 -27.229 -3.549 680 HG3 ARG 88 HG2 ARG 88 -9.405 -25.751 -4.421 681 HD2 ARG 88 HD3 ARG 88 -11.667 -25.880 -3.763 682 HD3 ARG 88 HD2 ARG 88 -11.489 -27.542 -3.202 683 HE ARG 88 HE ARG 88 -10.406 -25.155 -1.860 684 HH11 ARG 88 HH11 ARG 88 -11.360 -28.532 -1.823 685 HH12 ARG 88 HH12 ARG 88 -11.161 -28.698 -0.101 686 HH21 ARG 88 HH21 ARG 88 -10.133 -25.395 0.411 687 HH22 ARG 88 HH22 ARG 88 -10.480 -26.917 1.160 688 H ALA 89 H ALA 89 -9.692 -24.610 -6.928 689 HA ALA 89 HA ALA 89 -8.992 -25.313 -9.653 690 HB1 ALA 89 HB1 ALA 89 -8.296 -23.000 -9.882 691 HB2 ALA 89 HB2 ALA 89 -8.519 -22.745 -8.152 692 HB3 ALA 89 HB3 ALA 89 -9.910 -23.096 -9.177 693 H VAL 90 H VAL 90 -6.980 -25.574 -10.447 694 HA VAL 90 HA VAL 90 -4.778 -25.883 -8.557 695 HB VAL 90 HB VAL 90 -5.258 -27.709 -10.184 696 HG11 VAL 90 HG11 VAL 90 -6.047 -26.392 -12.050 697 HG12 VAL 90 HG12 VAL 90 -4.692 -27.407 -12.548 698 HG13 VAL 90 HG13 VAL 90 -4.444 -25.685 -12.257 699 HG21 VAL 90 HG21 VAL 90 -3.018 -27.511 -9.286 700 HG22 VAL 90 HG22 VAL 90 -2.584 -26.378 -10.566 701 HG23 VAL 90 HG23 VAL 90 -2.961 -28.055 -10.963 702 H SER 91 H SER 91 -2.625 -24.968 -9.243 703 HA SER 91 HA SER 91 -2.637 -22.255 -9.748 704 HB2 SER 91 HB3 SER 91 -0.425 -24.163 -10.545 705 HB3 SER 91 HB2 SER 91 -0.261 -22.453 -10.149 706 HG SER 91 HG SER 91 -0.949 -22.967 -8.013 707 H ARG 92 H ARG 92 -2.870 -21.022 -11.536 708 HA ARG 92 HA ARG 92 -3.734 -22.214 -13.961 709 HB2 ARG 92 HB3 ARG 92 -3.862 -19.969 -14.846 710 HB3 ARG 92 HB2 ARG 92 -4.466 -19.970 -13.196 711 HG2 ARG 92 HG3 ARG 92 -2.030 -19.249 -12.607 712 HG3 ARG 92 HG2 ARG 92 -1.973 -18.771 -14.306 713 HD2 ARG 92 HD3 ARG 92 -2.652 -16.883 -12.959 714 HD3 ARG 92 HD2 ARG 92 -4.008 -17.414 -13.957 715 HE ARG 92 HE ARG 92 -4.456 -18.756 -11.687 716 HH11 ARG 92 HH11 ARG 92 -3.728 -15.380 -12.247 717 HH12 ARG 92 HH12 ARG 92 -4.572 -14.834 -10.829 718 HH21 ARG 92 HH21 ARG 92 -5.508 -18.064 -9.821 719 HH22 ARG 92 HH22 ARG 92 -5.565 -16.365 -9.420 720 H GLU 93 H GLU 93 -0.686 -21.076 -12.776 721 HA GLU 93 HA GLU 93 0.733 -21.112 -15.236 722 HB2 GLU 93 HB3 GLU 93 1.880 -21.539 -12.475 723 HB3 GLU 93 HB2 GLU 93 2.700 -20.894 -13.888 724 HG2 GLU 93 HG3 GLU 93 0.415 -19.540 -12.476 725 HG3 GLU 93 HG2 GLU 93 2.117 -19.194 -12.188 726 H ASP 94 H ASP 94 -0.150 -23.486 -12.869 727 HA ASP 94 HA ASP 94 1.742 -25.497 -13.449 728 HB2 ASP 94 HB3 ASP 94 -0.372 -25.166 -11.670 729 HB3 ASP 94 HB2 ASP 94 -0.873 -26.513 -12.675 730 H SER 95 H SER 95 -1.395 -24.678 -14.780 731 HA SER 95 HA SER 95 -1.259 -26.984 -16.554 732 HB2 SER 95 HB3 SER 95 -3.518 -25.035 -16.081 733 HB3 SER 95 HB2 SER 95 -3.607 -26.506 -17.050 734 HG SER 95 HG SER 95 -2.787 -27.490 -14.922 735 H GLN 96 H GLN 96 -0.056 -23.996 -16.636 736 HA GLN 96 HA GLN 96 -0.624 -23.638 -19.497 737 HB2 GLN 96 HB3 GLN 96 0.201 -21.683 -17.366 738 HB3 GLN 96 HB2 GLN 96 0.428 -21.320 -19.074 739 HG2 GLN 96 HG3 GLN 96 -1.956 -21.576 -19.464 740 HG3 GLN 96 HG2 GLN 96 -2.200 -22.001 -17.772 741 HE21 GLN 96 HE21 GLN 96 -0.302 -20.016 -16.794 742 HE22 GLN 96 HE22 GLN 96 -1.083 -18.484 -16.973 743 H ARG 97 H ARG 97 1.619 -24.945 -17.484 744 HA ARG 97 HA ARG 97 3.867 -24.262 -19.220 745 HB2 ARG 97 HB3 ARG 97 5.285 -25.397 -17.547 746 HB3 ARG 97 HB2 ARG 97 4.352 -24.085 -16.851 747 HG2 ARG 97 HG3 ARG 97 4.111 -25.679 -15.239 748 HG3 ARG 97 HG2 ARG 97 2.689 -26.018 -16.226 749 HD2 ARG 97 HD3 ARG 97 4.049 -27.739 -17.433 750 HD3 ARG 97 HD2 ARG 97 5.327 -27.475 -16.250 751 HE ARG 97 HE ARG 97 3.915 -28.399 -14.568 752 HH11 ARG 97 HH11 ARG 97 2.569 -28.541 -17.793 753 HH12 ARG 97 HH12 ARG 97 1.521 -29.889 -17.446 754 HH21 ARG 97 HH21 ARG 97 2.498 -30.156 -14.083 755 HH22 ARG 97 HH22 ARG 97 1.476 -30.802 -15.338 756 H5' U 1 H5' U 1 -18.921 -30.088 -20.525 757 H5'' U 1 H5'' U 1 -17.434 -29.587 -19.702 758 H4' U 1 H4' U 1 -16.702 -30.406 -21.740 759 H3' U 1 H3' U 1 -15.906 -27.956 -21.296 760 H2' U 1 H2' U 1 -17.915 -26.808 -22.026 761 HO2' U 1 HO2' U 1 -16.123 -25.967 -23.238 762 H1' U 1 H1' U 1 -18.021 -28.439 -24.589 763 H3 U 1 H3 U 1 -22.364 -27.912 -25.444 764 H5 U 1 H5 U 1 -21.957 -26.285 -21.596 765 H6 U 1 H6 U 1 -19.660 -27.001 -21.616 766 HO5' U 1 HO5' U 1 -17.878 -27.443 -20.369 767 H5' U 2 H5' U 2 -14.935 -28.924 -20.135 768 H5'' U 2 H5'' U 2 -14.549 -27.227 -20.464 769 H4' U 2 H4' U 2 -12.574 -27.304 -19.226 770 H3' U 2 H3' U 2 -11.921 -29.751 -20.003 771 H2' U 2 H2' U 2 -13.787 -30.890 -18.925 772 HO2' U 2 HO2' U 2 -11.381 -30.960 -17.531 773 H1' U 2 H1' U 2 -13.184 -29.255 -16.397 774 H3 U 2 H3 U 2 -16.591 -31.095 -14.192 775 H5 U 2 H5 U 2 -18.096 -30.759 -18.093 776 H6 U 2 H6 U 2 -15.945 -29.908 -18.768 777 H5' A 3 H5' A 3 -11.055 -24.986 -18.731 778 H5'' A 3 H5'' A 3 -9.738 -25.562 -19.771 779 H4' A 3 H4' A 3 -9.348 -23.514 -18.249 780 H3' A 3 H3' A 3 -7.498 -24.988 -19.440 781 H2' A 3 H2' A 3 -7.658 -26.833 -17.799 782 HO2' A 3 HO2' A 3 -5.689 -26.554 -16.521 783 H1' A 3 H1' A 3 -7.368 -24.580 -15.712 784 H8 A 3 H8 A 3 -8.171 -28.253 -16.359 785 H61 A 3 H61 A 3 -8.905 -29.584 -11.739 786 H62 A 3 H62 A 3 -9.016 -28.687 -10.239 787 H2 A 3 H2 A 3 -8.459 -24.355 -11.269 788 H5' G 4 H5' G 4 -7.606 -22.102 -19.386 789 H5'' G 4 H5'' G 4 -7.010 -21.192 -20.785 790 H4' G 4 H4' G 4 -7.536 -19.454 -19.487 791 H3' G 4 H3' G 4 -4.750 -19.921 -19.276 792 H2' G 4 H2' G 4 -4.785 -20.301 -16.915 793 HO2' G 4 HO2' G 4 -4.579 -17.682 -17.563 794 H1' G 4 H1' G 4 -7.306 -18.529 -16.927 795 H8 G 4 H8 G 4 -7.875 -18.076 -14.526 796 H1 G 4 H1 G 4 -6.028 -23.924 -12.654 797 H21 G 4 H21 G 4 -5.077 -24.337 -15.968 798 H22 G 4 H22 G 4 -5.181 -25.034 -14.366 799 H5' G 5 H5' G 5 -5.387 -14.875 -19.376 800 H5'' G 5 H5'' G 5 -6.467 -16.056 -18.606 801 H4' G 5 H4' G 5 -7.586 -14.055 -20.505 802 H3' G 5 H3' G 5 -6.448 -13.311 -17.879 803 H2' G 5 H2' G 5 -8.467 -12.320 -17.080 804 HO2' G 5 HO2' G 5 -8.888 -11.920 -19.697 805 H1' G 5 H1' G 5 -10.200 -14.302 -17.829 806 H8 G 5 H8 G 5 -7.641 -16.651 -17.313 807 H1 G 5 H1 G 5 -8.912 -13.666 -11.778 808 H21 G 5 H21 G 5 -10.445 -11.288 -13.785 809 H22 G 5 H22 G 5 -10.012 -11.796 -12.168 810 H5' U 6 H5' U 6 -3.505 -13.144 -20.328 811 H5'' U 6 H5'' U 6 -4.449 -14.459 -19.604 812 H4' U 6 H4' U 6 -1.694 -13.913 -19.353 813 H3' U 6 H3' U 6 -3.027 -16.197 -19.250 814 H2' U 6 H2' U 6 -4.239 -15.891 -17.203 815 HO2' U 6 HO2' U 6 -3.213 -17.642 -16.490 816 H1' U 6 H1' U 6 -1.881 -14.637 -15.765 817 H3 U 6 H3 U 6 -4.403 -12.921 -12.540 818 H5 U 6 H5 U 6 -7.006 -12.879 -15.834 819 H6 U 6 H6 U 6 -5.250 -13.879 -17.140 820 H5' C 7 H5' C 7 -1.764 -18.499 -22.340 821 H5'' C 7 H5'' C 7 -1.211 -16.812 -22.386 822 H4' C 7 H4' C 7 -3.996 -17.839 -21.885 823 H3' C 7 H3' C 7 -2.740 -16.556 -24.257 824 HO3' C 7 HO3' C 7 -5.150 -17.935 -24.094 825 H2' C 7 H2' C 7 -4.571 -15.051 -24.555 826 HO2' C 7 HO2' C 7 -6.213 -15.693 -22.532 827 H1' C 7 H1' C 7 -4.907 -14.328 -21.910 828 H41 C 7 H41 C 7 0.616 -11.259 -23.833 829 H42 C 7 H42 C 7 -0.676 -10.085 -23.961 830 H5 C 7 H5 C 7 0.231 -13.578 -23.246 831 H6 C 7 H6 C 7 -1.464 -15.228 -22.653 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -21.023 -9.516 12.404 2 H2 ALA 1 H2 ALA 1 -20.753 -9.503 10.730 3 H3 ALA 1 H3 ALA 1 -20.744 -10.970 11.577 4 HA ALA 1 HA ALA 1 -23.075 -10.739 12.093 5 HB1 ALA 1 HB1 ALA 1 -22.922 -8.231 10.423 6 HB2 ALA 1 HB2 ALA 1 -23.128 -8.294 12.174 7 HB3 ALA 1 HB3 ALA 1 -24.384 -8.934 11.114 8 H SER 2 H SER 2 -22.384 -9.322 8.901 9 HA SER 2 HA SER 2 -23.261 -11.851 7.687 10 HB2 SER 2 HB3 SER 2 -23.552 -10.421 5.616 11 HB3 SER 2 HB2 SER 2 -24.628 -10.019 6.956 12 HG SER 2 HG SER 2 -23.233 -8.318 5.720 13 H LYS 3 H LYS 3 -20.676 -9.587 8.005 14 HA LYS 3 HA LYS 3 -18.964 -11.321 6.356 15 HB2 LYS 3 HB3 LYS 3 -18.773 -8.333 6.787 16 HB3 LYS 3 HB2 LYS 3 -17.548 -9.300 5.975 17 HG2 LYS 3 HG3 LYS 3 -20.404 -9.007 5.066 18 HG3 LYS 3 HG2 LYS 3 -19.024 -8.125 4.406 19 HD2 LYS 3 HD3 LYS 3 -18.014 -10.167 3.643 20 HD3 LYS 3 HD2 LYS 3 -19.253 -11.131 4.447 21 HE2 LYS 3 HE3 LYS 3 -20.947 -10.262 2.965 22 HE3 LYS 3 HE2 LYS 3 -19.779 -9.172 2.219 23 HZ1 LYS 3 HZ1 LYS 3 -18.576 -11.037 1.361 24 HZ2 LYS 3 HZ2 LYS 3 -20.198 -11.192 0.903 25 HZ3 LYS 3 HZ3 LYS 3 -19.583 -12.136 2.169 26 H SER 4 H SER 4 -18.301 -12.611 8.018 27 HA SER 4 HA SER 4 -16.671 -11.290 10.090 28 HB2 SER 4 HB3 SER 4 -18.242 -13.795 10.658 29 HB3 SER 4 HB2 SER 4 -17.585 -12.619 11.798 30 HG SER 4 HG SER 4 -19.935 -12.547 10.286 31 H GLU 5 H GLU 5 -16.423 -12.972 7.440 32 HA GLU 5 HA GLU 5 -14.998 -15.315 8.333 33 HB2 GLU 5 HB3 GLU 5 -14.727 -15.852 5.993 34 HB3 GLU 5 HB2 GLU 5 -16.386 -15.358 6.284 35 HG2 GLU 5 HG3 GLU 5 -14.291 -13.505 5.185 36 HG3 GLU 5 HG2 GLU 5 -15.320 -14.511 4.170 37 H SER 6 H SER 6 -12.816 -15.768 7.205 38 HA SER 6 HA SER 6 -11.153 -13.397 6.934 39 HB2 SER 6 HB3 SER 6 -10.586 -15.550 8.991 40 HB3 SER 6 HB2 SER 6 -9.488 -14.237 8.563 41 HG SER 6 HG SER 6 -11.981 -13.328 9.181 42 HA PRO 7 HA PRO 7 -9.953 -16.233 3.667 43 HB2 PRO 7 HB3 PRO 7 -8.245 -14.459 2.464 44 HB3 PRO 7 HB2 PRO 7 -9.993 -14.480 2.203 45 HG2 PRO 7 HG3 PRO 7 -8.366 -12.731 4.002 46 HG3 PRO 7 HG2 PRO 7 -9.738 -12.303 2.963 47 HD2 PRO 7 HD3 PRO 7 -10.016 -12.643 5.618 48 HD3 PRO 7 HD2 PRO 7 -11.295 -13.102 4.474 49 H LYS 8 H LYS 8 -8.117 -17.418 3.159 50 HA LYS 8 HA LYS 8 -6.071 -17.436 5.209 51 HB2 LYS 8 HB3 LYS 8 -6.432 -19.277 2.832 52 HB3 LYS 8 HB2 LYS 8 -5.339 -19.535 4.183 53 HG2 LYS 8 HG3 LYS 8 -8.344 -19.414 4.377 54 HG3 LYS 8 HG2 LYS 8 -7.381 -20.892 4.331 55 HD2 LYS 8 HD3 LYS 8 -7.100 -18.744 6.429 56 HD3 LYS 8 HD2 LYS 8 -8.086 -20.195 6.620 57 HE2 LYS 8 HE3 LYS 8 -6.109 -21.591 6.341 58 HE3 LYS 8 HE2 LYS 8 -5.115 -20.156 6.092 59 HZ1 LYS 8 HZ1 LYS 8 -4.962 -21.022 8.361 60 HZ2 LYS 8 HZ2 LYS 8 -6.625 -20.773 8.578 61 HZ3 LYS 8 HZ3 LYS 8 -5.595 -19.449 8.331 62 H GLU 9 H GLU 9 -5.383 -18.247 1.868 63 HA GLU 9 HA GLU 9 -4.144 -15.793 1.196 64 HB2 GLU 9 HB3 GLU 9 -2.396 -16.511 2.703 65 HB3 GLU 9 HB2 GLU 9 -2.320 -18.090 1.931 66 HG2 GLU 9 HG3 GLU 9 -1.489 -17.076 -0.112 67 HG3 GLU 9 HG2 GLU 9 -1.626 -15.474 0.610 68 HA PRO 10 HA PRO 10 -3.079 -19.104 -2.271 69 HB2 PRO 10 HB3 PRO 10 -4.658 -21.395 -1.966 70 HB3 PRO 10 HB2 PRO 10 -2.919 -21.280 -1.685 71 HG2 PRO 10 HG3 PRO 10 -5.168 -21.172 0.263 72 HG3 PRO 10 HG2 PRO 10 -3.551 -21.878 0.444 73 HD2 PRO 10 HD3 PRO 10 -4.188 -19.548 1.589 74 HD3 PRO 10 HD2 PRO 10 -2.574 -19.826 0.904 75 H GLU 11 H GLU 11 -4.084 -18.103 -3.823 76 HA GLU 11 HA GLU 11 -6.831 -17.435 -3.894 77 HB2 GLU 11 HB3 GLU 11 -5.168 -16.159 -5.121 78 HB3 GLU 11 HB2 GLU 11 -4.728 -17.570 -6.067 79 HG2 GLU 11 HG3 GLU 11 -7.046 -17.557 -7.008 80 HG3 GLU 11 HG2 GLU 11 -7.297 -16.012 -6.190 81 H GLN 12 H GLN 12 -4.957 -20.011 -5.458 82 HA GLN 12 HA GLN 12 -7.093 -20.964 -7.050 83 HB2 GLN 12 HB3 GLN 12 -5.666 -22.751 -7.638 84 HB3 GLN 12 HB2 GLN 12 -4.623 -21.361 -7.383 85 HG2 GLN 12 HG3 GLN 12 -4.247 -22.259 -5.043 86 HG3 GLN 12 HG2 GLN 12 -5.005 -23.744 -5.619 87 HE21 GLN 12 HE21 GLN 12 -3.218 -24.999 -5.455 88 HE22 GLN 12 HE22 GLN 12 -1.835 -24.819 -6.481 89 H LEU 13 H LEU 13 -6.099 -21.629 -3.780 90 HA LEU 13 HA LEU 13 -7.709 -23.914 -3.330 91 HB2 LEU 13 HB3 LEU 13 -6.046 -23.478 -1.728 92 HB3 LEU 13 HB2 LEU 13 -6.528 -21.800 -1.559 93 HG LEU 13 HG LEU 13 -8.705 -22.676 -0.569 94 HD11 LEU 13 HD11 LEU 13 -7.073 -25.196 -0.387 95 HD12 LEU 13 HD12 LEU 13 -8.546 -24.957 -1.328 96 HD13 LEU 13 HD13 LEU 13 -8.606 -24.901 0.434 97 HD21 LEU 13 HD21 LEU 13 -7.716 -22.947 1.644 98 HD22 LEU 13 HD22 LEU 13 -6.985 -21.611 0.753 99 HD23 LEU 13 HD23 LEU 13 -6.125 -23.144 0.906 100 H ARG 14 H ARG 14 -8.220 -20.470 -3.054 101 HA ARG 14 HA ARG 14 -10.913 -20.770 -2.041 102 HB2 ARG 14 HB3 ARG 14 -9.308 -18.340 -2.849 103 HB3 ARG 14 HB2 ARG 14 -10.918 -18.273 -2.153 104 HG2 ARG 14 HG3 ARG 14 -10.097 -19.307 -0.111 105 HG3 ARG 14 HG2 ARG 14 -8.480 -19.420 -0.814 106 HD2 ARG 14 HD3 ARG 14 -10.005 -16.862 -0.363 107 HD3 ARG 14 HD2 ARG 14 -8.740 -17.484 0.695 108 HE ARG 14 HE ARG 14 -7.263 -17.295 -1.350 109 HH11 ARG 14 HH11 ARG 14 -10.065 -15.242 -0.891 110 HH12 ARG 14 HH12 ARG 14 -9.400 -13.914 -1.796 111 HH21 ARG 14 HH21 ARG 14 -6.381 -15.527 -2.530 112 HH22 ARG 14 HH22 ARG 14 -7.321 -14.080 -2.720 113 H LYS 15 H LYS 15 -9.488 -20.956 -5.008 114 HA LYS 15 HA LYS 15 -11.721 -19.710 -6.431 115 HB2 LYS 15 HB3 LYS 15 -9.323 -19.196 -7.081 116 HB3 LYS 15 HB2 LYS 15 -9.216 -20.853 -7.665 117 HG2 LYS 15 HG3 LYS 15 -11.189 -20.347 -9.143 118 HG3 LYS 15 HG2 LYS 15 -11.000 -18.656 -8.683 119 HD2 LYS 15 HD3 LYS 15 -8.939 -20.374 -10.063 120 HD3 LYS 15 HD2 LYS 15 -9.904 -19.101 -10.808 121 HE2 LYS 15 HE3 LYS 15 -7.938 -18.692 -8.564 122 HE3 LYS 15 HE2 LYS 15 -7.591 -18.406 -10.266 123 HZ1 LYS 15 HZ1 LYS 15 -9.367 -16.725 -10.274 124 HZ2 LYS 15 HZ2 LYS 15 -8.136 -16.352 -9.173 125 HZ3 LYS 15 HZ3 LYS 15 -9.611 -16.977 -8.616 126 H LEU 16 H LEU 16 -13.170 -20.816 -7.497 127 HA LEU 16 HA LEU 16 -13.033 -23.738 -7.482 128 HB2 LEU 16 HB3 LEU 16 -15.130 -21.682 -7.426 129 HB3 LEU 16 HB2 LEU 16 -15.510 -23.065 -8.421 130 HG LEU 16 HG LEU 16 -14.908 -23.026 -5.464 131 HD11 LEU 16 HD11 LEU 16 -17.181 -22.364 -6.273 132 HD12 LEU 16 HD12 LEU 16 -17.152 -23.753 -5.189 133 HD13 LEU 16 HD13 LEU 16 -17.353 -23.992 -6.926 134 HD21 LEU 16 HD21 LEU 16 -15.356 -25.405 -7.259 135 HD22 LEU 16 HD22 LEU 16 -15.274 -25.447 -5.498 136 HD23 LEU 16 HD23 LEU 16 -13.853 -24.989 -6.436 137 H PHE 17 H PHE 17 -12.818 -24.884 -9.282 138 HA PHE 17 HA PHE 17 -12.725 -23.545 -11.879 139 HB2 PHE 17 HB3 PHE 17 -10.891 -25.089 -11.311 140 HB3 PHE 17 HB2 PHE 17 -12.049 -26.389 -11.071 141 HD1 PHE 17 HD1 PHE 17 -11.681 -27.972 -12.705 142 HD2 PHE 17 HD2 PHE 17 -11.703 -23.860 -13.786 143 HE1 PHE 17 HE1 PHE 17 -11.431 -28.594 -15.074 144 HE2 PHE 17 HE2 PHE 17 -11.455 -24.473 -16.152 145 HZ PHE 17 HZ PHE 17 -11.309 -26.841 -16.802 146 H ILE 18 H ILE 18 -14.586 -23.390 -12.937 147 HA ILE 18 HA ILE 18 -16.686 -25.378 -12.375 148 HB ILE 18 HB ILE 18 -17.108 -22.709 -13.708 149 HG12 ILE 18 HG12 ILE 18 -16.117 -22.171 -11.589 150 HG13 ILE 18 HG13 ILE 18 -17.850 -21.892 -11.459 151 HG21 ILE 18 HG21 ILE 18 -18.958 -24.557 -12.210 152 HG22 ILE 18 HG22 ILE 18 -18.886 -24.349 -13.959 153 HG23 ILE 18 HG23 ILE 18 -19.409 -23.013 -12.932 154 HD11 ILE 18 HD11 ILE 18 -18.080 -24.059 -10.313 155 HD12 ILE 18 HD12 ILE 18 -17.025 -22.933 -9.457 156 HD13 ILE 18 HD13 ILE 18 -16.328 -24.257 -10.392 157 H GLY 19 H GLY 19 -16.348 -26.962 -13.877 158 HA2 GLY 19 HA3 GLY 19 -16.068 -26.075 -16.676 159 HA3 GLY 19 HA2 GLY 19 -15.481 -27.610 -16.056 160 H GLY 20 H GLY 20 -17.400 -26.837 -18.248 161 HA2 GLY 20 HA3 GLY 20 -19.018 -28.219 -19.210 162 HA3 GLY 20 HA2 GLY 20 -19.263 -28.985 -17.647 163 H LEU 21 H LEU 21 -19.421 -25.558 -18.539 164 HA LEU 21 HA LEU 21 -22.166 -25.551 -17.505 165 HB2 LEU 21 HB3 LEU 21 -21.766 -23.018 -17.379 166 HB3 LEU 21 HB2 LEU 21 -20.999 -24.050 -16.191 167 HG LEU 21 HG LEU 21 -18.935 -23.931 -17.764 168 HD11 LEU 21 HD11 LEU 21 -20.185 -22.823 -19.609 169 HD12 LEU 21 HD12 LEU 21 -18.733 -21.965 -19.092 170 HD13 LEU 21 HD13 LEU 21 -20.320 -21.393 -18.586 171 HD21 LEU 21 HD21 LEU 21 -19.840 -21.553 -16.150 172 HD22 LEU 21 HD22 LEU 21 -18.179 -21.910 -16.621 173 HD23 LEU 21 HD23 LEU 21 -19.037 -22.991 -15.524 174 H SER 22 H SER 22 -23.612 -23.911 -18.497 175 HA SER 22 HA SER 22 -24.051 -24.520 -21.187 176 HB2 SER 22 HB3 SER 22 -25.859 -23.864 -19.710 177 HB3 SER 22 HB2 SER 22 -25.127 -22.284 -19.450 178 HG SER 22 HG SER 22 -26.758 -22.066 -20.949 179 H PHE 23 H PHE 23 -23.873 -23.256 -23.075 180 HA PHE 23 HA PHE 23 -21.552 -21.611 -23.219 181 HB2 PHE 23 HB3 PHE 23 -23.749 -22.074 -25.244 182 HB3 PHE 23 HB2 PHE 23 -22.240 -21.232 -25.575 183 HD1 PHE 23 HD1 PHE 23 -23.878 -24.409 -25.289 184 HD2 PHE 23 HD2 PHE 23 -20.086 -22.489 -25.412 185 HE1 PHE 23 HE1 PHE 23 -22.813 -26.558 -25.844 186 HE2 PHE 23 HE2 PHE 23 -19.011 -24.632 -25.967 187 HZ PHE 23 HZ PHE 23 -20.376 -26.671 -26.184 188 H GLU 24 H GLU 24 -24.718 -21.013 -22.291 189 HA GLU 24 HA GLU 24 -24.659 -18.189 -23.004 190 HB2 GLU 24 HB3 GLU 24 -26.724 -19.675 -21.378 191 HB3 GLU 24 HB2 GLU 24 -26.907 -18.105 -22.153 192 HG2 GLU 24 HG3 GLU 24 -26.620 -19.221 -24.351 193 HG3 GLU 24 HG2 GLU 24 -26.605 -20.768 -23.508 194 H THR 25 H THR 25 -23.502 -20.164 -20.613 195 HA THR 25 HA THR 25 -23.891 -18.470 -18.345 196 HB THR 25 HB THR 25 -21.923 -20.726 -18.776 197 HG1 THR 25 HG1 THR 25 -24.617 -20.612 -18.170 198 HG21 THR 25 HG21 THR 25 -21.229 -19.256 -16.954 199 HG22 THR 25 HG22 THR 25 -21.805 -20.799 -16.323 200 HG23 THR 25 HG23 THR 25 -22.836 -19.370 -16.235 201 H THR 26 H THR 26 -23.143 -16.451 -18.790 202 HA THR 26 HA THR 26 -20.311 -16.136 -19.439 203 HB THR 26 HB THR 26 -21.862 -14.754 -20.733 204 HG1 THR 26 HG1 THR 26 -20.911 -12.648 -20.091 205 HG21 THR 26 HG21 THR 26 -22.643 -13.556 -18.075 206 HG22 THR 26 HG22 THR 26 -23.665 -14.559 -19.104 207 HG23 THR 26 HG23 THR 26 -23.150 -12.966 -19.658 208 H ASP 27 H ASP 27 -19.181 -14.374 -18.171 209 HA ASP 27 HA ASP 27 -18.723 -15.415 -15.657 210 HB2 ASP 27 HB3 ASP 27 -17.231 -13.600 -15.308 211 HB3 ASP 27 HB2 ASP 27 -17.184 -13.971 -17.020 212 H GLU 28 H GLU 28 -20.559 -12.531 -16.500 213 HA GLU 28 HA GLU 28 -21.180 -11.743 -13.883 214 HB2 GLU 28 HB3 GLU 28 -22.953 -10.376 -14.941 215 HB3 GLU 28 HB2 GLU 28 -21.392 -10.215 -15.729 216 HG2 GLU 28 HG3 GLU 28 -22.138 -11.818 -17.451 217 HG3 GLU 28 HG2 GLU 28 -23.727 -11.844 -16.689 218 H SER 29 H SER 29 -22.763 -14.028 -16.039 219 HA SER 29 HA SER 29 -25.068 -14.280 -14.315 220 HB2 SER 29 HB3 SER 29 -25.094 -14.658 -16.832 221 HB3 SER 29 HB2 SER 29 -24.207 -16.153 -16.537 222 HG SER 29 HG SER 29 -26.851 -15.464 -15.851 223 H LEU 30 H LEU 30 -22.034 -15.854 -14.928 224 HA LEU 30 HA LEU 30 -22.485 -18.242 -13.482 225 HB2 LEU 30 HB3 LEU 30 -20.684 -17.752 -15.207 226 HB3 LEU 30 HB2 LEU 30 -19.835 -16.871 -13.958 227 HG LEU 30 HG LEU 30 -19.074 -19.255 -14.457 228 HD11 LEU 30 HD11 LEU 30 -18.594 -19.734 -12.118 229 HD12 LEU 30 HD12 LEU 30 -19.778 -18.524 -11.626 230 HD13 LEU 30 HD13 LEU 30 -18.329 -18.035 -12.501 231 HD21 LEU 30 HD21 LEU 30 -21.258 -20.301 -14.566 232 HD22 LEU 30 HD22 LEU 30 -21.559 -19.890 -12.878 233 HD23 LEU 30 HD23 LEU 30 -20.281 -21.033 -13.293 234 H ARG 31 H ARG 31 -21.056 -15.107 -12.609 235 HA ARG 31 HA ARG 31 -20.425 -15.859 -9.957 236 HB2 ARG 31 HB3 ARG 31 -19.763 -13.683 -9.602 237 HB3 ARG 31 HB2 ARG 31 -19.666 -13.754 -11.353 238 HG2 ARG 31 HG3 ARG 31 -21.819 -12.652 -11.540 239 HG3 ARG 31 HG2 ARG 31 -21.976 -12.656 -9.778 240 HD2 ARG 31 HD3 ARG 31 -19.623 -11.350 -11.097 241 HD3 ARG 31 HD2 ARG 31 -21.164 -10.501 -10.963 242 HE ARG 31 HE ARG 31 -20.813 -11.288 -8.448 243 HH11 ARG 31 HH11 ARG 31 -18.576 -9.787 -10.690 244 HH12 ARG 31 HH12 ARG 31 -17.650 -8.995 -9.448 245 HH21 ARG 31 HH21 ARG 31 -19.609 -10.268 -6.810 246 HH22 ARG 31 HH22 ARG 31 -18.246 -9.265 -7.227 247 H SER 32 H SER 32 -23.289 -14.374 -11.423 248 HA SER 32 HA SER 32 -24.590 -13.712 -9.029 249 HB2 SER 32 HB3 SER 32 -25.771 -14.357 -11.737 250 HB3 SER 32 HB2 SER 32 -26.632 -13.570 -10.412 251 HG SER 32 HG SER 32 -24.765 -12.549 -12.166 252 H HIS 33 H HIS 33 -24.352 -16.732 -10.762 253 HA HIS 33 HA HIS 33 -26.318 -18.036 -9.131 254 HB2 HIS 33 HB3 HIS 33 -24.310 -19.013 -11.140 255 HB3 HIS 33 HB2 HIS 33 -25.189 -20.145 -10.118 256 HD2 HIS 33 HD2 HIS 33 -25.753 -17.847 -13.180 257 HE1 HIS 33 HE1 HIS 33 -29.318 -19.992 -12.412 258 HE2 HIS 33 HE2 HIS 33 -28.178 -18.340 -13.966 259 H PHE 34 H PHE 34 -22.747 -17.945 -9.213 260 HA PHE 34 HA PHE 34 -22.600 -19.817 -7.049 261 HB2 PHE 34 HB3 PHE 34 -20.590 -18.306 -8.646 262 HB3 PHE 34 HB2 PHE 34 -20.097 -19.007 -7.107 263 HD1 PHE 34 HD1 PHE 34 -19.850 -21.350 -6.837 264 HD2 PHE 34 HD2 PHE 34 -21.383 -19.754 -10.468 265 HE1 PHE 34 HE1 PHE 34 -19.585 -23.547 -7.909 266 HE2 PHE 34 HE2 PHE 34 -21.122 -21.948 -11.547 267 HZ PHE 34 HZ PHE 34 -20.223 -23.847 -10.268 268 H GLU 35 H GLU 35 -22.919 -16.403 -7.213 269 HA GLU 35 HA GLU 35 -21.778 -15.875 -4.644 270 HB2 GLU 35 HB3 GLU 35 -23.567 -14.242 -6.426 271 HB3 GLU 35 HB2 GLU 35 -23.023 -13.679 -4.851 272 HG2 GLU 35 HG3 GLU 35 -20.677 -14.017 -5.639 273 HG3 GLU 35 HG2 GLU 35 -21.332 -14.347 -7.240 274 H GLN 36 H GLN 36 -24.164 -17.817 -5.206 275 HA GLN 36 HA GLN 36 -26.158 -16.813 -3.362 276 HB2 GLN 36 HB3 GLN 36 -25.868 -19.361 -4.936 277 HB3 GLN 36 HB2 GLN 36 -27.132 -19.146 -3.734 278 HG2 GLN 36 HG3 GLN 36 -28.041 -17.282 -4.975 279 HG3 GLN 36 HG2 GLN 36 -26.716 -17.380 -6.135 280 HE21 GLN 36 HE21 GLN 36 -26.621 -19.132 -7.539 281 HE22 GLN 36 HE22 GLN 36 -28.020 -20.077 -7.925 282 H TRP 37 H TRP 37 -23.438 -18.987 -3.344 283 HA TRP 37 HA TRP 37 -24.114 -19.830 -0.609 284 HB2 TRP 37 HB3 TRP 37 -22.224 -21.129 -2.594 285 HB3 TRP 37 HB2 TRP 37 -22.556 -21.712 -0.968 286 HD1 TRP 37 HD1 TRP 37 -24.759 -23.093 -0.586 287 HE1 TRP 37 HE1 TRP 37 -26.567 -24.039 -2.151 288 HE3 TRP 37 HE3 TRP 37 -23.477 -20.628 -4.878 289 HZ2 TRP 37 HZ2 TRP 37 -27.335 -23.783 -4.849 290 HZ3 TRP 37 HZ3 TRP 37 -24.799 -21.047 -6.908 291 HH2 TRP 37 HH2 TRP 37 -26.686 -22.591 -6.893 292 H GLY 38 H GLY 38 -22.664 -17.378 -1.813 293 HA2 GLY 38 HA3 GLY 38 -21.075 -16.690 0.294 294 HA3 GLY 38 HA2 GLY 38 -19.992 -17.583 -0.762 295 H THR 39 H THR 39 -18.787 -15.590 -0.897 296 HA THR 39 HA THR 39 -19.971 -13.696 -2.827 297 HB THR 39 HB THR 39 -18.189 -13.186 -0.453 298 HG1 THR 39 HG1 THR 39 -20.798 -12.547 -1.244 299 HG21 THR 39 HG21 THR 39 -17.165 -11.953 -2.244 300 HG22 THR 39 HG22 THR 39 -18.059 -10.822 -1.227 301 HG23 THR 39 HG23 THR 39 -18.730 -11.336 -2.776 302 H LEU 40 H LEU 40 -18.915 -13.587 -4.726 303 HA LEU 40 HA LEU 40 -16.338 -14.933 -4.931 304 HB2 LEU 40 HB3 LEU 40 -18.017 -13.744 -7.135 305 HB3 LEU 40 HB2 LEU 40 -16.670 -14.851 -7.318 306 HG LEU 40 HG LEU 40 -19.201 -15.571 -5.887 307 HD11 LEU 40 HD11 LEU 40 -19.742 -16.860 -7.927 308 HD12 LEU 40 HD12 LEU 40 -18.445 -15.994 -8.746 309 HD13 LEU 40 HD13 LEU 40 -19.832 -15.110 -8.119 310 HD21 LEU 40 HD21 LEU 40 -18.381 -17.876 -6.339 311 HD22 LEU 40 HD22 LEU 40 -17.409 -16.943 -5.199 312 HD23 LEU 40 HD23 LEU 40 -16.857 -17.152 -6.859 313 H THR 41 H THR 41 -14.708 -13.688 -4.328 314 HA THR 41 HA THR 41 -14.599 -10.861 -4.718 315 HB THR 41 HB THR 41 -12.233 -11.101 -3.973 316 HG1 THR 41 HG1 THR 41 -12.454 -13.742 -3.270 317 HG21 THR 41 HG21 THR 41 -12.727 -11.922 -1.718 318 HG22 THR 41 HG22 THR 41 -14.224 -12.647 -2.305 319 HG23 THR 41 HG23 THR 41 -14.029 -10.892 -2.313 320 H ASP 42 H ASP 42 -13.785 -13.658 -6.503 321 HA ASP 42 HA ASP 42 -12.986 -12.010 -8.775 322 HB2 ASP 42 HB3 ASP 42 -10.878 -12.732 -7.837 323 HB3 ASP 42 HB2 ASP 42 -11.447 -14.388 -7.725 324 H CYS 43 H CYS 43 -14.140 -12.594 -10.506 325 HA CYS 43 HA CYS 43 -14.970 -15.370 -10.787 326 HB2 CYS 43 HB3 CYS 43 -17.318 -14.590 -11.332 327 HB3 CYS 43 HB2 CYS 43 -16.860 -14.509 -9.635 328 HG CYS 43 HG CYS 43 -16.937 -11.904 -9.344 329 H VAL 44 H VAL 44 -14.901 -16.042 -12.834 330 HA VAL 44 HA VAL 44 -15.209 -14.267 -15.060 331 HB VAL 44 HB VAL 44 -12.951 -13.607 -14.343 332 HG11 VAL 44 HG11 VAL 44 -12.263 -15.660 -13.248 333 HG12 VAL 44 HG12 VAL 44 -11.087 -15.194 -14.479 334 HG13 VAL 44 HG13 VAL 44 -12.230 -16.498 -14.800 335 HG21 VAL 44 HG21 VAL 44 -12.969 -15.192 -16.909 336 HG22 VAL 44 HG22 VAL 44 -11.796 -13.949 -16.477 337 HG23 VAL 44 HG23 VAL 44 -13.491 -13.519 -16.712 338 H VAL 45 H VAL 45 -15.708 -15.400 -16.857 339 HA VAL 45 HA VAL 45 -15.174 -18.290 -16.834 340 HB VAL 45 HB VAL 45 -16.921 -18.525 -18.528 341 HG11 VAL 45 HG11 VAL 45 -17.552 -18.736 -16.204 342 HG12 VAL 45 HG12 VAL 45 -18.859 -17.982 -17.117 343 HG13 VAL 45 HG13 VAL 45 -17.814 -16.996 -16.093 344 HG21 VAL 45 HG21 VAL 45 -16.706 -16.365 -19.622 345 HG22 VAL 45 HG22 VAL 45 -17.348 -15.562 -18.188 346 HG23 VAL 45 HG23 VAL 45 -18.374 -16.653 -19.120 347 H MET 46 H MET 46 -14.301 -19.226 -18.755 348 HA MET 46 HA MET 46 -12.586 -17.378 -20.172 349 HB2 MET 46 HB3 MET 46 -12.855 -20.379 -20.469 350 HB3 MET 46 HB2 MET 46 -11.618 -19.383 -21.221 351 HG2 MET 46 HG3 MET 46 -12.012 -19.889 -18.284 352 HG3 MET 46 HG2 MET 46 -10.685 -20.452 -19.297 353 HE1 MET 46 HE1 MET 46 -9.086 -19.474 -17.325 354 HE2 MET 46 HE2 MET 46 -10.539 -18.914 -16.495 355 HE3 MET 46 HE3 MET 46 -9.195 -17.804 -16.765 356 H ARG 47 H ARG 47 -12.687 -16.913 -22.354 357 HA ARG 47 HA ARG 47 -15.315 -17.498 -23.553 358 HB2 ARG 47 HB3 ARG 47 -13.495 -15.102 -23.830 359 HB3 ARG 47 HB2 ARG 47 -14.767 -15.435 -24.994 360 HG2 ARG 47 HG3 ARG 47 -15.486 -13.768 -23.399 361 HG3 ARG 47 HG2 ARG 47 -16.440 -15.238 -23.217 362 HD2 ARG 47 HD3 ARG 47 -15.652 -15.653 -21.148 363 HD3 ARG 47 HD2 ARG 47 -14.043 -15.040 -21.518 364 HE ARG 47 HE ARG 47 -14.655 -13.008 -20.690 365 HH11 ARG 47 HH11 ARG 47 -17.625 -14.718 -21.453 366 HH12 ARG 47 HH12 ARG 47 -18.625 -13.658 -20.512 367 HH21 ARG 47 HH21 ARG 47 -15.954 -11.646 -19.418 368 HH22 ARG 47 HH22 ARG 47 -17.668 -11.927 -19.313 369 H ASP 48 H ASP 48 -15.379 -17.807 -25.852 370 HA ASP 48 HA ASP 48 -13.378 -19.473 -26.912 371 HB2 ASP 48 HB3 ASP 48 -15.809 -19.291 -27.671 372 HB3 ASP 48 HB2 ASP 48 -15.326 -17.826 -28.516 373 HA PRO 49 HA PRO 49 -10.386 -16.444 -28.162 374 HB2 PRO 49 HB3 PRO 49 -9.105 -17.877 -30.087 375 HB3 PRO 49 HB2 PRO 49 -8.867 -18.148 -28.357 376 HG2 PRO 49 HG3 PRO 49 -10.599 -19.643 -30.290 377 HG3 PRO 49 HG2 PRO 49 -9.533 -20.277 -29.020 378 HD2 PRO 49 HD3 PRO 49 -12.200 -20.078 -28.687 379 HD3 PRO 49 HD2 PRO 49 -11.061 -19.834 -27.345 380 H ASN 50 H ASN 50 -12.767 -17.789 -30.238 381 HA ASN 50 HA ASN 50 -12.099 -15.903 -32.399 382 HB2 ASN 50 HB3 ASN 50 -14.178 -18.071 -32.601 383 HB3 ASN 50 HB2 ASN 50 -13.281 -17.284 -33.893 384 HD21 ASN 50 HD21 ASN 50 -13.218 -19.679 -31.389 385 HD22 ASN 50 HD22 ASN 50 -11.805 -20.524 -31.965 386 H THR 51 H THR 51 -14.960 -17.287 -30.789 387 HA THR 51 HA THR 51 -16.652 -15.170 -31.729 388 HB THR 51 HB THR 51 -18.443 -16.283 -30.643 389 HG1 THR 51 HG1 THR 51 -17.831 -18.092 -29.127 390 HG21 THR 51 HG21 THR 51 -17.519 -17.527 -32.546 391 HG22 THR 51 HG22 THR 51 -18.185 -18.619 -31.332 392 HG23 THR 51 HG23 THR 51 -16.439 -18.396 -31.454 393 H LYS 52 H LYS 52 -14.864 -15.840 -28.823 394 HA LYS 52 HA LYS 52 -14.494 -14.701 -26.901 395 HB2 LYS 52 HB3 LYS 52 -15.745 -12.389 -28.401 396 HB3 LYS 52 HB2 LYS 52 -14.903 -12.253 -26.863 397 HG2 LYS 52 HG3 LYS 52 -13.653 -13.258 -29.410 398 HG3 LYS 52 HG2 LYS 52 -13.531 -11.603 -28.813 399 HD2 LYS 52 HD3 LYS 52 -12.763 -13.814 -26.978 400 HD3 LYS 52 HD2 LYS 52 -11.670 -13.425 -28.306 401 HE2 LYS 52 HE3 LYS 52 -10.967 -12.177 -26.402 402 HE3 LYS 52 HE2 LYS 52 -11.702 -11.053 -27.539 403 HZ1 LYS 52 HZ1 LYS 52 -12.410 -10.567 -25.306 404 HZ2 LYS 52 HZ2 LYS 52 -12.968 -12.148 -25.081 405 HZ3 LYS 52 HZ3 LYS 52 -13.742 -11.129 -26.192 406 H ARG 53 H ARG 53 -17.001 -16.134 -27.459 407 HA ARG 53 HA ARG 53 -18.908 -14.741 -25.733 408 HB2 ARG 53 HB3 ARG 53 -19.096 -16.912 -27.726 409 HB3 ARG 53 HB2 ARG 53 -20.146 -17.077 -26.328 410 HG2 ARG 53 HG3 ARG 53 -21.322 -15.978 -28.112 411 HG3 ARG 53 HG2 ARG 53 -21.071 -14.848 -26.782 412 HD2 ARG 53 HD3 ARG 53 -19.180 -13.863 -27.976 413 HD3 ARG 53 HD2 ARG 53 -19.422 -15.002 -29.300 414 HE ARG 53 HE ARG 53 -21.833 -13.691 -28.955 415 HH11 ARG 53 HH11 ARG 53 -18.543 -12.849 -29.809 416 HH12 ARG 53 HH12 ARG 53 -19.005 -11.465 -30.755 417 HH21 ARG 53 HH21 ARG 53 -22.453 -11.885 -30.214 418 HH22 ARG 53 HH22 ARG 53 -21.223 -10.911 -30.980 419 H SER 54 H SER 54 -18.089 -18.204 -25.951 420 HA SER 54 HA SER 54 -17.391 -18.224 -23.131 421 HB2 SER 54 HB3 SER 54 -19.086 -20.133 -22.798 422 HB3 SER 54 HB2 SER 54 -19.717 -18.486 -22.864 423 HG SER 54 HG SER 54 -20.978 -19.368 -24.320 424 H ARG 55 H ARG 55 -16.244 -20.016 -22.474 425 HA ARG 55 HA ARG 55 -15.248 -21.758 -24.613 426 HB2 ARG 55 HB3 ARG 55 -14.143 -20.634 -22.133 427 HB3 ARG 55 HB2 ARG 55 -13.734 -22.316 -22.406 428 HG2 ARG 55 HG3 ARG 55 -13.225 -20.060 -24.328 429 HG3 ARG 55 HG2 ARG 55 -12.028 -20.805 -23.267 430 HD2 ARG 55 HD3 ARG 55 -12.617 -22.998 -24.398 431 HD3 ARG 55 HD2 ARG 55 -13.476 -22.028 -25.593 432 HE ARG 55 HE ARG 55 -10.899 -20.995 -25.361 433 HH11 ARG 55 HH11 ARG 55 -12.443 -23.953 -26.405 434 HH12 ARG 55 HH12 ARG 55 -11.202 -24.349 -27.560 435 HH21 ARG 55 HH21 ARG 55 -9.252 -21.511 -26.835 436 HH22 ARG 55 HH22 ARG 55 -9.382 -22.952 -27.812 437 H GLY 56 H GLY 56 -17.498 -21.782 -22.143 438 HA2 GLY 56 HA3 GLY 56 -18.901 -23.588 -21.627 439 HA3 GLY 56 HA2 GLY 56 -17.693 -24.684 -22.284 440 H PHE 57 H PHE 57 -16.552 -22.294 -20.102 441 HA PHE 57 HA PHE 57 -16.988 -23.622 -17.658 442 HB2 PHE 57 HB3 PHE 57 -14.864 -24.624 -17.207 443 HB3 PHE 57 HB2 PHE 57 -15.406 -25.252 -18.758 444 HD1 PHE 57 HD1 PHE 57 -12.799 -23.632 -16.987 445 HD2 PHE 57 HD2 PHE 57 -14.440 -24.185 -20.866 446 HE1 PHE 57 HE1 PHE 57 -10.664 -22.923 -17.984 447 HE2 PHE 57 HE2 PHE 57 -12.310 -23.483 -21.876 448 HZ PHE 57 HZ PHE 57 -10.418 -22.850 -20.435 449 H GLY 58 H GLY 58 -15.708 -22.641 -15.874 450 HA2 GLY 58 HA3 GLY 58 -14.240 -20.215 -16.464 451 HA3 GLY 58 HA2 GLY 58 -15.828 -19.938 -15.764 452 H PHE 59 H PHE 59 -14.304 -18.886 -14.155 453 HA PHE 59 HA PHE 59 -13.678 -20.830 -12.039 454 HB2 PHE 59 HB3 PHE 59 -11.941 -18.542 -12.968 455 HB3 PHE 59 HB2 PHE 59 -11.720 -19.357 -11.426 456 HD1 PHE 59 HD1 PHE 59 -10.861 -21.609 -11.322 457 HD2 PHE 59 HD2 PHE 59 -11.361 -19.622 -15.047 458 HE1 PHE 59 HE1 PHE 59 -9.410 -23.276 -12.400 459 HE2 PHE 59 HE2 PHE 59 -9.918 -21.290 -16.138 460 HZ PHE 59 HZ PHE 59 -8.938 -23.118 -14.814 461 H VAL 60 H VAL 60 -13.772 -19.987 -9.911 462 HA VAL 60 HA VAL 60 -14.874 -17.336 -9.501 463 HB VAL 60 HB VAL 60 -16.649 -18.533 -7.954 464 HG11 VAL 60 HG11 VAL 60 -16.999 -18.033 -10.894 465 HG12 VAL 60 HG12 VAL 60 -17.038 -16.808 -9.625 466 HG13 VAL 60 HG13 VAL 60 -18.280 -18.062 -9.681 467 HG21 VAL 60 HG21 VAL 60 -16.374 -20.397 -10.299 468 HG22 VAL 60 HG22 VAL 60 -17.687 -20.406 -9.121 469 HG23 VAL 60 HG23 VAL 60 -16.046 -20.797 -8.617 470 H THR 61 H THR 61 -13.665 -16.515 -8.007 471 HA THR 61 HA THR 61 -12.549 -18.228 -5.905 472 HB THR 61 HB THR 61 -11.857 -15.333 -6.335 473 HG1 THR 61 HG1 THR 61 -11.257 -15.990 -8.295 474 HG21 THR 61 HG21 THR 61 -11.021 -16.411 -4.309 475 HG22 THR 61 HG22 THR 61 -9.694 -16.033 -5.407 476 HG23 THR 61 HG23 THR 61 -10.290 -17.688 -5.281 477 H TYR 62 H TYR 62 -13.659 -18.288 -4.064 478 HA TYR 62 HA TYR 62 -15.631 -16.274 -3.452 479 HB2 TYR 62 HB3 TYR 62 -14.762 -18.842 -2.167 480 HB3 TYR 62 HB2 TYR 62 -15.805 -17.724 -1.297 481 HD1 TYR 62 HD1 TYR 62 -18.093 -17.349 -2.013 482 HD2 TYR 62 HD2 TYR 62 -15.584 -20.071 -4.102 483 HE1 TYR 62 HE1 TYR 62 -20.066 -18.316 -3.106 484 HE2 TYR 62 HE2 TYR 62 -17.554 -21.043 -5.199 485 HH TYR 62 HH TYR 62 -20.674 -19.585 -5.005 486 H ALA 63 H ALA 63 -15.711 -15.639 -1.006 487 HA ALA 63 HA ALA 63 -13.444 -13.953 -0.565 488 HB1 ALA 63 HB1 ALA 63 -15.758 -13.283 -0.005 489 HB2 ALA 63 HB2 ALA 63 -14.662 -13.160 1.376 490 HB3 ALA 63 HB3 ALA 63 -15.783 -14.519 1.260 491 H THR 64 H THR 64 -14.611 -16.996 0.668 492 HA THR 64 HA THR 64 -12.037 -17.444 1.925 493 HB THR 64 HB THR 64 -13.250 -16.498 3.777 494 HG1 THR 64 HG1 THR 64 -12.961 -18.167 5.206 495 HG21 THR 64 HG21 THR 64 -15.379 -18.568 3.239 496 HG22 THR 64 HG22 THR 64 -15.528 -16.832 2.953 497 HG23 THR 64 HG23 THR 64 -15.350 -17.445 4.600 498 H VAL 65 H VAL 65 -11.819 -19.684 2.660 499 HA VAL 65 HA VAL 65 -12.425 -21.525 0.642 500 HB VAL 65 HB VAL 65 -10.488 -21.840 1.990 501 HG11 VAL 65 HG11 VAL 65 -11.212 -20.738 4.019 502 HG12 VAL 65 HG12 VAL 65 -10.584 -22.342 4.394 503 HG13 VAL 65 HG13 VAL 65 -12.326 -22.060 4.370 504 HG21 VAL 65 HG21 VAL 65 -11.480 -23.909 1.212 505 HG22 VAL 65 HG22 VAL 65 -12.473 -24.003 2.667 506 HG23 VAL 65 HG23 VAL 65 -10.719 -24.145 2.786 507 H GLU 66 H GLU 66 -14.081 -20.730 3.613 508 HA GLU 66 HA GLU 66 -15.667 -23.001 3.940 509 HB2 GLU 66 HB3 GLU 66 -16.316 -20.128 4.615 510 HB3 GLU 66 HB2 GLU 66 -17.158 -21.536 5.250 511 HG2 GLU 66 HG3 GLU 66 -14.250 -20.894 5.682 512 HG3 GLU 66 HG2 GLU 66 -15.550 -20.631 6.845 513 H GLU 67 H GLU 67 -16.130 -20.158 1.928 514 HA GLU 67 HA GLU 67 -18.848 -20.733 1.290 515 HB2 GLU 67 HB3 GLU 67 -16.960 -19.002 -0.294 516 HB3 GLU 67 HB2 GLU 67 -18.714 -18.903 -0.231 517 HG2 GLU 67 HG3 GLU 67 -18.467 -18.354 2.215 518 HG3 GLU 67 HG2 GLU 67 -16.744 -18.176 1.905 519 H VAL 68 H VAL 68 -15.740 -21.387 -0.222 520 HA VAL 68 HA VAL 68 -16.637 -22.416 -2.670 521 HB VAL 68 HB VAL 68 -14.187 -23.002 -1.018 522 HG11 VAL 68 HG11 VAL 68 -14.734 -25.071 -2.220 523 HG12 VAL 68 HG12 VAL 68 -13.289 -24.305 -2.879 524 HG13 VAL 68 HG13 VAL 68 -14.826 -24.166 -3.732 525 HG21 VAL 68 HG21 VAL 68 -14.325 -20.844 -2.153 526 HG22 VAL 68 HG22 VAL 68 -14.592 -21.673 -3.689 527 HG23 VAL 68 HG23 VAL 68 -13.055 -21.854 -2.843 528 H ASP 69 H ASP 69 -16.101 -24.016 0.442 529 HA ASP 69 HA ASP 69 -16.682 -26.624 -0.411 530 HB2 ASP 69 HB3 ASP 69 -15.555 -26.152 1.709 531 HB3 ASP 69 HB2 ASP 69 -17.019 -25.399 2.333 532 H ALA 70 H ALA 70 -18.777 -24.067 0.868 533 HA ALA 70 HA ALA 70 -21.115 -25.630 1.073 534 HB1 ALA 70 HB1 ALA 70 -22.326 -23.512 1.117 535 HB2 ALA 70 HB2 ALA 70 -20.880 -22.664 0.570 536 HB3 ALA 70 HB3 ALA 70 -20.898 -23.445 2.153 537 H ALA 71 H ALA 71 -19.713 -23.773 -1.580 538 HA ALA 71 HA ALA 71 -21.877 -24.063 -3.383 539 HB1 ALA 71 HB1 ALA 71 -20.279 -23.421 -5.108 540 HB2 ALA 71 HB2 ALA 71 -18.946 -23.677 -3.983 541 HB3 ALA 71 HB3 ALA 71 -20.116 -22.390 -3.688 542 H MET 72 H MET 72 -19.110 -26.056 -2.576 543 HA MET 72 HA MET 72 -19.431 -27.903 -4.713 544 HB2 MET 72 HB3 MET 72 -18.107 -28.264 -2.017 545 HB3 MET 72 HB2 MET 72 -17.991 -29.398 -3.353 546 HG2 MET 72 HG3 MET 72 -16.963 -27.525 -4.698 547 HG3 MET 72 HG2 MET 72 -16.888 -26.615 -3.193 548 HE1 MET 72 HE1 MET 72 -14.221 -26.613 -4.237 549 HE2 MET 72 HE2 MET 72 -14.580 -27.905 -5.382 550 HE3 MET 72 HE3 MET 72 -13.245 -28.083 -4.243 551 H ASN 73 H ASN 73 -20.641 -27.741 -1.400 552 HA ASN 73 HA ASN 73 -21.895 -30.295 -1.414 553 HB2 ASN 73 HB3 ASN 73 -22.279 -27.843 0.295 554 HB3 ASN 73 HB2 ASN 73 -23.284 -29.274 0.492 555 HD21 ASN 73 HD21 ASN 73 -20.198 -27.855 1.017 556 HD22 ASN 73 HD22 ASN 73 -19.523 -29.150 1.935 557 H ALA 74 H ALA 74 -22.655 -27.356 -2.899 558 HA ALA 74 HA ALA 74 -25.508 -27.729 -2.979 559 HB1 ALA 74 HB1 ALA 74 -23.749 -25.823 -4.516 560 HB2 ALA 74 HB2 ALA 74 -24.516 -25.486 -2.960 561 HB3 ALA 74 HB3 ALA 74 -25.506 -25.752 -4.400 562 H ARG 75 H ARG 75 -23.006 -29.245 -4.485 563 HA ARG 75 HA ARG 75 -23.937 -29.475 -7.155 564 HB2 ARG 75 HB3 ARG 75 -21.615 -30.016 -6.334 565 HB3 ARG 75 HB2 ARG 75 -22.273 -31.475 -5.608 566 HG2 ARG 75 HG3 ARG 75 -22.905 -32.318 -7.779 567 HG3 ARG 75 HG2 ARG 75 -22.373 -30.820 -8.544 568 HD2 ARG 75 HD3 ARG 75 -20.082 -31.263 -7.751 569 HD3 ARG 75 HD2 ARG 75 -20.635 -32.791 -7.065 570 HE ARG 75 HE ARG 75 -21.377 -32.826 -9.731 571 HH11 ARG 75 HH11 ARG 75 -18.383 -32.578 -7.919 572 HH12 ARG 75 HH12 ARG 75 -17.440 -33.407 -9.127 573 HH21 ARG 75 HH21 ARG 75 -20.138 -33.874 -11.332 574 HH22 ARG 75 HH22 ARG 75 -18.426 -34.085 -11.094 575 HA PRO 76 HA PRO 76 -24.183 -31.103 -8.820 576 HB2 PRO 76 HB3 PRO 76 -26.806 -31.276 -10.056 577 HB3 PRO 76 HB2 PRO 76 -25.402 -32.318 -10.276 578 HG2 PRO 76 HG3 PRO 76 -27.692 -33.115 -9.022 579 HG3 PRO 76 HG2 PRO 76 -26.094 -33.814 -8.704 580 HD2 PRO 76 HD3 PRO 76 -27.634 -31.795 -7.128 581 HD3 PRO 76 HD2 PRO 76 -26.623 -33.141 -6.559 582 H HIS 77 H HIS 77 -23.684 -29.085 -9.142 583 HA HIS 77 HA HIS 77 -25.384 -26.910 -8.416 584 HB2 HIS 77 HB3 HIS 77 -22.827 -27.062 -8.263 585 HB3 HIS 77 HB2 HIS 77 -22.820 -26.759 -9.997 586 HD2 HIS 77 HD2 HIS 77 -22.335 -24.825 -6.968 587 HE1 HIS 77 HE1 HIS 77 -24.374 -22.200 -9.613 588 HE2 HIS 77 HE2 HIS 77 -22.881 -22.349 -7.553 589 H LYS 78 H LYS 78 -26.591 -25.617 -9.743 590 HA LYS 78 HA LYS 78 -26.697 -26.413 -12.588 591 HB2 LYS 78 HB3 LYS 78 -28.666 -27.220 -11.457 592 HB3 LYS 78 HB2 LYS 78 -28.933 -25.663 -10.691 593 HG2 LYS 78 HG3 LYS 78 -30.517 -26.011 -12.478 594 HG3 LYS 78 HG2 LYS 78 -29.433 -24.679 -12.877 595 HD2 LYS 78 HD3 LYS 78 -29.801 -26.080 -14.820 596 HD3 LYS 78 HD2 LYS 78 -28.121 -26.188 -14.299 597 HE2 LYS 78 HE3 LYS 78 -29.013 -28.371 -14.919 598 HE3 LYS 78 HE2 LYS 78 -28.574 -28.314 -13.214 599 HZ1 LYS 78 HZ1 LYS 78 -30.697 -29.436 -13.616 600 HZ2 LYS 78 HZ2 LYS 78 -31.339 -28.007 -14.264 601 HZ3 LYS 78 HZ3 LYS 78 -30.885 -28.069 -12.631 602 H VAL 79 H VAL 79 -25.831 -24.790 -13.762 603 HA VAL 79 HA VAL 79 -26.473 -22.019 -12.970 604 HB VAL 79 HB VAL 79 -24.044 -22.977 -14.478 605 HG11 VAL 79 HG11 VAL 79 -23.234 -20.673 -14.248 606 HG12 VAL 79 HG12 VAL 79 -24.771 -20.217 -13.517 607 HG13 VAL 79 HG13 VAL 79 -24.719 -20.755 -15.195 608 HG21 VAL 79 HG21 VAL 79 -22.775 -22.295 -12.501 609 HG22 VAL 79 HG22 VAL 79 -23.891 -23.616 -12.166 610 HG23 VAL 79 HG23 VAL 79 -24.292 -21.973 -11.660 611 H ASP 80 H ASP 80 -27.665 -20.884 -14.289 612 HA ASP 80 HA ASP 80 -28.797 -20.125 -16.102 613 HB2 ASP 80 HB3 ASP 80 -26.681 -19.938 -17.275 614 HB3 ASP 80 HB2 ASP 80 -26.690 -21.657 -17.644 615 H GLY 81 H GLY 81 -27.799 -23.415 -16.767 616 HA2 GLY 81 HA3 GLY 81 -30.250 -24.696 -16.512 617 HA3 GLY 81 HA2 GLY 81 -30.134 -24.176 -18.193 618 H ARG 82 H ARG 82 -27.460 -25.012 -16.152 619 HA ARG 82 HA ARG 82 -27.050 -27.570 -17.454 620 HB2 ARG 82 HB3 ARG 82 -26.002 -25.927 -18.958 621 HB3 ARG 82 HB2 ARG 82 -25.078 -25.276 -17.613 622 HG2 ARG 82 HG3 ARG 82 -23.708 -26.720 -18.989 623 HG3 ARG 82 HG2 ARG 82 -23.920 -27.404 -17.374 624 HD2 ARG 82 HD3 ARG 82 -24.137 -29.095 -19.137 625 HD3 ARG 82 HD2 ARG 82 -25.616 -28.908 -18.194 626 HE ARG 82 HE ARG 82 -25.838 -27.233 -20.405 627 HH11 ARG 82 HH11 ARG 82 -25.579 -30.672 -19.773 628 HH12 ARG 82 HH12 ARG 82 -26.500 -31.121 -21.185 629 HH21 ARG 82 HH21 ARG 82 -27.024 -27.817 -22.245 630 HH22 ARG 82 HH22 ARG 82 -27.329 -29.496 -22.581 631 H VAL 83 H VAL 83 -26.498 -28.935 -15.854 632 HA VAL 83 HA VAL 83 -25.534 -27.889 -13.353 633 HB VAL 83 HB VAL 83 -26.942 -29.697 -12.988 634 HG11 VAL 83 HG11 VAL 83 -25.412 -31.248 -15.059 635 HG12 VAL 83 HG12 VAL 83 -27.033 -30.572 -15.231 636 HG13 VAL 83 HG13 VAL 83 -26.737 -31.873 -14.074 637 HG21 VAL 83 HG21 VAL 83 -24.153 -30.830 -12.853 638 HG22 VAL 83 HG22 VAL 83 -25.564 -31.468 -12.008 639 HG23 VAL 83 HG23 VAL 83 -24.951 -29.862 -11.612 640 H VAL 84 H VAL 84 -23.561 -27.558 -12.791 641 HA VAL 84 HA VAL 84 -21.446 -28.321 -14.671 642 HB VAL 84 HB VAL 84 -20.168 -26.470 -13.741 643 HG11 VAL 84 HG11 VAL 84 -21.707 -25.979 -15.556 644 HG12 VAL 84 HG12 VAL 84 -21.607 -24.612 -14.446 645 HG13 VAL 84 HG13 VAL 84 -23.004 -25.688 -14.398 646 HG21 VAL 84 HG21 VAL 84 -21.149 -24.965 -12.063 647 HG22 VAL 84 HG22 VAL 84 -20.919 -26.594 -11.425 648 HG23 VAL 84 HG23 VAL 84 -22.528 -26.053 -11.904 649 H GLU 85 H GLU 85 -19.216 -28.222 -13.427 650 HA GLU 85 HA GLU 85 -19.397 -29.846 -10.983 651 HB2 GLU 85 HB3 GLU 85 -18.771 -31.331 -12.814 652 HB3 GLU 85 HB2 GLU 85 -17.480 -30.238 -13.294 653 HG2 GLU 85 HG3 GLU 85 -16.299 -30.672 -11.227 654 HG3 GLU 85 HG2 GLU 85 -17.618 -31.696 -10.664 655 HA PRO 86 HA PRO 86 -16.698 -26.410 -9.929 656 HB2 PRO 86 HB3 PRO 86 -17.634 -26.186 -7.365 657 HB3 PRO 86 HB2 PRO 86 -18.397 -25.441 -8.770 658 HG2 PRO 86 HG3 PRO 86 -19.354 -27.632 -7.128 659 HG3 PRO 86 HG2 PRO 86 -20.208 -26.733 -8.390 660 HD2 PRO 86 HD3 PRO 86 -18.911 -29.349 -8.536 661 HD3 PRO 86 HD2 PRO 86 -20.030 -28.585 -9.681 662 H LYS 87 H LYS 87 -14.689 -27.245 -9.814 663 HA LYS 87 HA LYS 87 -14.011 -28.905 -7.468 664 HB2 LYS 87 HB3 LYS 87 -12.642 -28.730 -10.158 665 HB3 LYS 87 HB2 LYS 87 -12.071 -29.687 -8.800 666 HG2 LYS 87 HG3 LYS 87 -14.075 -31.057 -8.898 667 HG3 LYS 87 HG2 LYS 87 -14.695 -30.073 -10.227 668 HD2 LYS 87 HD3 LYS 87 -12.151 -31.696 -10.278 669 HD3 LYS 87 HD2 LYS 87 -13.678 -32.159 -11.032 670 HE2 LYS 87 HE3 LYS 87 -13.575 -30.198 -12.476 671 HE3 LYS 87 HE2 LYS 87 -12.072 -29.694 -11.704 672 HZ1 LYS 87 HZ1 LYS 87 -11.684 -30.823 -13.815 673 HZ2 LYS 87 HZ2 LYS 87 -12.453 -32.213 -13.230 674 HZ3 LYS 87 HZ3 LYS 87 -11.004 -31.687 -12.525 675 H ARG 88 H ARG 88 -11.759 -28.586 -6.678 676 HA ARG 88 HA ARG 88 -11.209 -25.857 -6.148 677 HB2 ARG 88 HB3 ARG 88 -10.386 -28.328 -5.122 678 HB3 ARG 88 HB2 ARG 88 -8.918 -27.585 -5.744 679 HG2 ARG 88 HG3 ARG 88 -9.258 -27.061 -3.394 680 HG3 ARG 88 HG2 ARG 88 -9.337 -25.604 -4.390 681 HD2 ARG 88 HD3 ARG 88 -11.698 -25.540 -4.266 682 HD3 ARG 88 HD2 ARG 88 -11.773 -27.161 -3.581 683 HE ARG 88 HE ARG 88 -10.661 -24.843 -2.135 684 HH11 ARG 88 HH11 ARG 88 -12.485 -27.830 -2.247 685 HH12 ARG 88 HH12 ARG 88 -13.018 -27.724 -0.593 686 HH21 ARG 88 HH21 ARG 88 -11.318 -24.736 0.060 687 HH22 ARG 88 HH22 ARG 88 -12.333 -25.982 0.723 688 H ALA 89 H ALA 89 -9.719 -24.477 -7.016 689 HA ALA 89 HA ALA 89 -8.824 -25.062 -9.670 690 HB1 ALA 89 HB1 ALA 89 -9.586 -22.827 -9.046 691 HB2 ALA 89 HB2 ALA 89 -7.932 -22.800 -9.658 692 HB3 ALA 89 HB3 ALA 89 -8.234 -22.678 -7.925 693 H VAL 90 H VAL 90 -6.719 -25.130 -10.411 694 HA VAL 90 HA VAL 90 -4.684 -25.865 -8.415 695 HB VAL 90 HB VAL 90 -5.388 -27.725 -9.898 696 HG11 VAL 90 HG11 VAL 90 -6.025 -26.457 -11.853 697 HG12 VAL 90 HG12 VAL 90 -4.818 -27.671 -12.282 698 HG13 VAL 90 HG13 VAL 90 -4.347 -25.979 -12.119 699 HG21 VAL 90 HG21 VAL 90 -2.568 -26.788 -10.405 700 HG22 VAL 90 HG22 VAL 90 -3.166 -28.429 -10.647 701 HG23 VAL 90 HG23 VAL 90 -3.120 -27.738 -9.025 702 H SER 91 H SER 91 -2.426 -25.269 -9.080 703 HA SER 91 HA SER 91 -2.201 -22.589 -9.768 704 HB2 SER 91 HB3 SER 91 -0.419 -23.753 -8.595 705 HB3 SER 91 HB2 SER 91 -0.129 -24.782 -9.997 706 HG SER 91 HG SER 91 0.588 -22.133 -9.539 707 H ARG 92 H ARG 92 -2.144 -21.488 -11.602 708 HA ARG 92 HA ARG 92 -2.616 -22.716 -14.125 709 HB2 ARG 92 HB3 ARG 92 -2.062 -20.302 -14.952 710 HB3 ARG 92 HB2 ARG 92 -3.524 -20.582 -14.018 711 HG2 ARG 92 HG3 ARG 92 -1.210 -19.930 -12.366 712 HG3 ARG 92 HG2 ARG 92 -1.641 -18.659 -13.514 713 HD2 ARG 92 HD3 ARG 92 -3.872 -18.543 -12.670 714 HD3 ARG 92 HD2 ARG 92 -3.639 -19.993 -11.693 715 HE ARG 92 HE ARG 92 -1.772 -18.341 -10.681 716 HH11 ARG 92 HH11 ARG 92 -5.154 -17.756 -11.434 717 HH12 ARG 92 HH12 ARG 92 -5.402 -16.689 -10.078 718 HH21 ARG 92 HH21 ARG 92 -2.092 -16.940 -8.927 719 HH22 ARG 92 HH22 ARG 92 -3.659 -16.224 -8.653 720 H GLU 93 H GLU 93 0.136 -22.412 -12.311 721 HA GLU 93 HA GLU 93 1.999 -22.219 -14.529 722 HB2 GLU 93 HB3 GLU 93 2.388 -22.700 -11.574 723 HB3 GLU 93 HB2 GLU 93 3.699 -22.569 -12.736 724 HG2 GLU 93 HG3 GLU 93 3.124 -20.288 -13.207 725 HG3 GLU 93 HG2 GLU 93 1.681 -20.405 -12.199 726 H ASP 94 H ASP 94 0.808 -24.606 -12.217 727 HA ASP 94 HA ASP 94 2.446 -26.732 -13.183 728 HB2 ASP 94 HB3 ASP 94 -0.003 -26.663 -11.424 729 HB3 ASP 94 HB2 ASP 94 0.749 -28.177 -11.915 730 H SER 95 H SER 95 -0.927 -25.793 -13.674 731 HA SER 95 HA SER 95 -1.141 -27.825 -15.778 732 HB2 SER 95 HB3 SER 95 -3.334 -26.181 -14.490 733 HB3 SER 95 HB2 SER 95 -3.554 -27.526 -15.609 734 HG SER 95 HG SER 95 -2.068 -28.527 -13.752 735 H GLN 96 H GLN 96 -0.321 -26.987 -17.606 736 HA GLN 96 HA GLN 96 -1.428 -24.408 -18.511 737 HB2 GLN 96 HB3 GLN 96 1.198 -25.724 -19.230 738 HB3 GLN 96 HB2 GLN 96 0.571 -24.274 -20.000 739 HG2 GLN 96 HG3 GLN 96 0.632 -23.120 -17.830 740 HG3 GLN 96 HG2 GLN 96 1.320 -24.570 -17.100 741 HE21 GLN 96 HE21 GLN 96 3.423 -25.168 -17.603 742 HE22 GLN 96 HE22 GLN 96 4.542 -24.073 -18.346 743 H ARG 97 H ARG 97 -0.247 -27.559 -19.669 744 HA ARG 97 HA ARG 97 -2.196 -27.381 -21.869 745 HB2 ARG 97 HB3 ARG 97 0.418 -28.817 -21.587 746 HB3 ARG 97 HB2 ARG 97 -0.809 -29.481 -22.652 747 HG2 ARG 97 HG3 ARG 97 0.618 -28.204 -24.010 748 HG3 ARG 97 HG2 ARG 97 -0.845 -27.242 -23.813 749 HD2 ARG 97 HD3 ARG 97 1.193 -26.716 -21.788 750 HD3 ARG 97 HD2 ARG 97 1.718 -26.358 -23.430 751 HE ARG 97 HE ARG 97 -0.847 -25.260 -22.993 752 HH11 ARG 97 HH11 ARG 97 2.502 -24.801 -22.072 753 HH12 ARG 97 HH12 ARG 97 2.335 -23.079 -21.860 754 HH21 ARG 97 HH21 ARG 97 -1.080 -23.024 -22.707 755 HH22 ARG 97 HH22 ARG 97 0.280 -22.071 -22.186 756 H5' U 1 H5' U 1 -16.511 -28.600 -19.871 757 H5'' U 1 H5'' U 1 -18.163 -28.242 -20.396 758 H4' U 1 H4' U 1 -15.974 -29.451 -22.071 759 H3' U 1 H3' U 1 -15.991 -26.847 -21.582 760 H2' U 1 H2' U 1 -18.277 -26.344 -22.098 761 HO2' U 1 HO2' U 1 -16.592 -25.559 -23.876 762 H1' U 1 H1' U 1 -18.299 -28.136 -24.546 763 H3 U 1 H3 U 1 -22.703 -28.800 -24.665 764 H5 U 1 H5 U 1 -22.132 -26.994 -20.917 765 H6 U 1 H6 U 1 -19.762 -27.060 -21.330 766 HO5' U 1 HO5' U 1 -16.980 -30.827 -20.458 767 H5' U 2 H5' U 2 -15.093 -26.884 -20.131 768 H5'' U 2 H5'' U 2 -13.752 -26.014 -20.900 769 H4' U 2 H4' U 2 -12.593 -26.343 -19.070 770 H3' U 2 H3' U 2 -12.017 -28.628 -20.479 771 H2' U 2 H2' U 2 -13.412 -30.135 -19.255 772 HO2' U 2 HO2' U 2 -10.923 -29.799 -18.071 773 H1' U 2 H1' U 2 -12.900 -28.488 -16.712 774 H3 U 2 H3 U 2 -15.853 -30.706 -14.239 775 H5 U 2 H5 U 2 -17.512 -30.988 -18.080 776 H6 U 2 H6 U 2 -15.601 -29.789 -18.911 777 H5' A 3 H5' A 3 -10.100 -24.782 -18.973 778 H5'' A 3 H5'' A 3 -8.758 -24.699 -20.130 779 H4' A 3 H4' A 3 -8.338 -23.283 -18.223 780 H3' A 3 H3' A 3 -6.409 -24.825 -19.260 781 H2' A 3 H2' A 3 -6.869 -26.735 -17.777 782 HO2' A 3 HO2' A 3 -4.805 -25.045 -16.834 783 H1' A 3 H1' A 3 -6.966 -24.565 -15.584 784 H8 A 3 H8 A 3 -7.852 -28.204 -16.494 785 H61 A 3 H61 A 3 -8.953 -29.666 -11.972 786 H62 A 3 H62 A 3 -9.128 -28.814 -10.454 787 H2 A 3 H2 A 3 -8.282 -24.486 -11.285 788 H5' G 4 H5' G 4 -7.348 -22.074 -18.593 789 H5'' G 4 H5'' G 4 -7.513 -21.265 -20.164 790 H4' G 4 H4' G 4 -7.342 -19.302 -19.213 791 H3' G 4 H3' G 4 -4.653 -20.000 -19.033 792 H2' G 4 H2' G 4 -4.707 -20.581 -16.696 793 HO2' G 4 HO2' G 4 -4.400 -17.796 -17.034 794 H1' G 4 H1' G 4 -6.844 -18.368 -16.423 795 H8 G 4 H8 G 4 -7.907 -18.333 -14.129 796 H1 G 4 H1 G 4 -5.481 -24.081 -12.644 797 H21 G 4 H21 G 4 -4.133 -23.996 -15.832 798 H22 G 4 H22 G 4 -4.315 -24.873 -14.330 799 H5' G 5 H5' G 5 -5.735 -14.969 -19.342 800 H5'' G 5 H5'' G 5 -6.590 -16.169 -18.354 801 H4' G 5 H4' G 5 -8.071 -14.639 -20.440 802 H3' G 5 H3' G 5 -6.897 -13.351 -18.083 803 H2' G 5 H2' G 5 -8.916 -12.702 -17.055 804 HO2' G 5 HO2' G 5 -10.201 -13.306 -19.534 805 H1' G 5 H1' G 5 -10.494 -14.907 -17.578 806 H8 G 5 H8 G 5 -7.663 -16.902 -16.980 807 H1 G 5 H1 G 5 -9.132 -13.622 -11.669 808 H21 G 5 H21 G 5 -10.966 -11.602 -13.808 809 H22 G 5 H22 G 5 -10.443 -11.927 -12.171 810 H5' U 6 H5' U 6 -4.806 -12.332 -19.987 811 H5'' U 6 H5'' U 6 -5.200 -13.266 -18.533 812 H4' U 6 H4' U 6 -3.250 -10.984 -18.511 813 H3' U 6 H3' U 6 -2.575 -13.044 -20.061 814 H2' U 6 H2' U 6 -2.963 -14.826 -18.487 815 HO2' U 6 HO2' U 6 -0.948 -15.478 -17.802 816 H1' U 6 H1' U 6 -1.680 -13.170 -16.259 817 H3 U 6 H3 U 6 -2.773 -16.144 -13.154 818 H5 U 6 H5 U 6 -6.102 -16.237 -15.711 819 H6 U 6 H6 U 6 -4.977 -14.644 -17.115 820 H5' C 7 H5' C 7 -2.269 -10.411 -17.572 821 H5'' C 7 H5'' C 7 -1.905 -8.697 -17.289 822 H4' C 7 H4' C 7 0.466 -9.606 -16.680 823 H3' C 7 H3' C 7 -1.146 -12.127 -16.526 824 HO3' C 7 HO3' C 7 0.384 -12.418 -17.871 825 H2' C 7 H2' C 7 -0.189 -12.649 -14.406 826 HO2' C 7 HO2' C 7 1.528 -10.494 -14.229 827 H1' C 7 H1' C 7 -0.210 -10.037 -13.364 828 H41 C 7 H41 C 7 -6.195 -12.719 -12.481 829 H42 C 7 H42 C 7 -5.563 -12.309 -10.903 830 H5 C 7 H5 C 7 -4.950 -12.372 -14.529 831 H6 C 7 H6 C 7 -2.850 -11.574 -15.477 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -1.151 -15.521 7.690 2 H2 ALA 1 H2 ALA 1 0.331 -15.784 8.469 3 H3 ALA 1 H3 ALA 1 0.298 -15.385 6.820 4 HA ALA 1 HA ALA 1 0.952 -13.517 8.259 5 HB1 ALA 1 HB1 ALA 1 -0.522 -11.885 7.205 6 HB2 ALA 1 HB2 ALA 1 -1.655 -13.167 6.780 7 HB3 ALA 1 HB3 ALA 1 -0.047 -13.136 6.055 8 H SER 2 H SER 2 0.357 -12.007 9.871 9 HA SER 2 HA SER 2 -1.656 -13.008 11.724 10 HB2 SER 2 HB3 SER 2 -0.764 -11.110 13.180 11 HB3 SER 2 HB2 SER 2 0.376 -12.400 12.800 12 HG SER 2 HG SER 2 1.535 -11.065 11.631 13 H LYS 3 H LYS 3 -0.946 -10.147 9.786 14 HA LYS 3 HA LYS 3 -3.779 -9.397 10.053 15 HB2 LYS 3 HB3 LYS 3 -3.201 -7.052 9.854 16 HB3 LYS 3 HB2 LYS 3 -2.336 -7.752 11.210 17 HG2 LYS 3 HG3 LYS 3 -1.069 -7.419 8.510 18 HG3 LYS 3 HG2 LYS 3 -1.074 -6.133 9.713 19 HD2 LYS 3 HD3 LYS 3 -0.036 -8.883 10.341 20 HD3 LYS 3 HD2 LYS 3 0.985 -7.661 9.588 21 HE2 LYS 3 HE3 LYS 3 1.372 -7.595 11.943 22 HE3 LYS 3 HE2 LYS 3 0.468 -6.149 11.503 23 HZ1 LYS 3 HZ1 LYS 3 -0.702 -8.601 12.702 24 HZ2 LYS 3 HZ2 LYS 3 -1.541 -7.176 12.335 25 HZ3 LYS 3 HZ3 LYS 3 -0.356 -7.173 13.539 26 H SER 4 H SER 4 -4.847 -8.884 8.183 27 HA SER 4 HA SER 4 -3.342 -8.611 5.716 28 HB2 SER 4 HB3 SER 4 -5.389 -10.809 6.106 29 HB3 SER 4 HB2 SER 4 -4.637 -10.380 4.569 30 HG SER 4 HG SER 4 -2.765 -10.771 6.482 31 H GLU 5 H GLU 5 -4.150 -6.514 5.698 32 HA GLU 5 HA GLU 5 -6.922 -5.894 5.655 33 HB2 GLU 5 HB3 GLU 5 -5.113 -4.238 6.072 34 HB3 GLU 5 HB2 GLU 5 -4.607 -4.402 4.396 35 HG2 GLU 5 HG3 GLU 5 -6.724 -3.510 3.641 36 HG3 GLU 5 HG2 GLU 5 -7.296 -3.409 5.307 37 H SER 6 H SER 6 -4.491 -6.444 3.148 38 HA SER 6 HA SER 6 -6.636 -7.077 1.240 39 HB2 SER 6 HB3 SER 6 -3.653 -6.774 0.764 40 HB3 SER 6 HB2 SER 6 -4.891 -6.982 -0.475 41 HG SER 6 HG SER 6 -5.608 -4.965 -0.138 42 HA PRO 7 HA PRO 7 -5.751 -11.140 2.922 43 HB2 PRO 7 HB3 PRO 7 -7.698 -12.480 1.565 44 HB3 PRO 7 HB2 PRO 7 -8.004 -11.512 3.012 45 HG2 PRO 7 HG3 PRO 7 -8.368 -10.778 0.130 46 HG3 PRO 7 HG2 PRO 7 -9.442 -10.469 1.507 47 HD2 PRO 7 HD3 PRO 7 -7.820 -8.564 0.513 48 HD3 PRO 7 HD2 PRO 7 -8.185 -8.674 2.247 49 H LYS 8 H LYS 8 -3.685 -11.166 1.756 50 HA LYS 8 HA LYS 8 -3.693 -12.573 -0.774 51 HB2 LYS 8 HB3 LYS 8 -1.943 -10.974 -0.577 52 HB3 LYS 8 HB2 LYS 8 -1.469 -11.573 1.004 53 HG2 LYS 8 HG3 LYS 8 0.097 -12.165 -0.829 54 HG3 LYS 8 HG2 LYS 8 -0.532 -13.551 0.056 55 HD2 LYS 8 HD3 LYS 8 -0.533 -14.095 -2.270 56 HD3 LYS 8 HD2 LYS 8 -2.206 -13.868 -1.768 57 HE2 LYS 8 HE3 LYS 8 -2.259 -11.682 -2.767 58 HE3 LYS 8 HE2 LYS 8 -0.534 -11.760 -3.126 59 HZ1 LYS 8 HZ1 LYS 8 -1.867 -12.253 -5.084 60 HZ2 LYS 8 HZ2 LYS 8 -2.618 -13.540 -4.281 61 HZ3 LYS 8 HZ3 LYS 8 -0.959 -13.607 -4.620 62 H GLU 9 H GLU 9 -4.870 -14.305 -0.070 63 HA GLU 9 HA GLU 9 -3.282 -16.355 1.316 64 HB2 GLU 9 HB3 GLU 9 -6.305 -16.133 1.196 65 HB3 GLU 9 HB2 GLU 9 -5.383 -17.346 2.076 66 HG2 GLU 9 HG3 GLU 9 -4.519 -15.664 3.572 67 HG3 GLU 9 HG2 GLU 9 -5.316 -14.392 2.649 68 HA PRO 10 HA PRO 10 -3.184 -18.644 -2.373 69 HB2 PRO 10 HB3 PRO 10 -4.355 -21.080 -1.657 70 HB3 PRO 10 HB2 PRO 10 -2.649 -20.662 -1.501 71 HG2 PRO 10 HG3 PRO 10 -4.809 -20.622 0.547 72 HG3 PRO 10 HG2 PRO 10 -3.093 -21.030 0.727 73 HD2 PRO 10 HD3 PRO 10 -4.062 -18.674 1.571 74 HD3 PRO 10 HD2 PRO 10 -2.444 -18.801 0.847 75 H GLU 11 H GLU 11 -4.606 -17.514 -3.666 76 HA GLU 11 HA GLU 11 -7.417 -17.865 -3.614 77 HB2 GLU 11 HB3 GLU 11 -7.407 -16.193 -5.105 78 HB3 GLU 11 HB2 GLU 11 -5.673 -16.132 -4.857 79 HG2 GLU 11 HG3 GLU 11 -7.049 -17.718 -7.003 80 HG3 GLU 11 HG2 GLU 11 -6.352 -16.117 -7.225 81 H GLN 12 H GLN 12 -4.915 -19.798 -4.575 82 HA GLN 12 HA GLN 12 -5.941 -21.354 -6.636 83 HB2 GLN 12 HB3 GLN 12 -3.696 -21.670 -6.090 84 HB3 GLN 12 HB2 GLN 12 -4.028 -21.784 -4.370 85 HG2 GLN 12 HG3 GLN 12 -4.982 -23.995 -4.691 86 HG3 GLN 12 HG2 GLN 12 -4.682 -23.879 -6.425 87 HE21 GLN 12 HE21 GLN 12 -3.321 -25.707 -6.355 88 HE22 GLN 12 HE22 GLN 12 -1.721 -25.600 -5.697 89 H LEU 13 H LEU 13 -6.261 -21.748 -3.100 90 HA LEU 13 HA LEU 13 -8.002 -24.023 -3.514 91 HB2 LEU 13 HB3 LEU 13 -7.898 -24.351 -1.131 92 HB3 LEU 13 HB2 LEU 13 -6.290 -24.090 -1.769 93 HG LEU 13 HG LEU 13 -6.600 -21.646 -0.965 94 HD11 LEU 13 HD11 LEU 13 -8.663 -23.042 0.736 95 HD12 LEU 13 HD12 LEU 13 -8.980 -21.773 -0.445 96 HD13 LEU 13 HD13 LEU 13 -8.034 -21.415 1.000 97 HD21 LEU 13 HD21 LEU 13 -5.757 -22.265 1.243 98 HD22 LEU 13 HD22 LEU 13 -5.012 -23.233 -0.031 99 HD23 LEU 13 HD23 LEU 13 -6.282 -23.929 0.976 100 H ARG 14 H ARG 14 -8.345 -20.678 -3.163 101 HA ARG 14 HA ARG 14 -11.076 -20.877 -2.150 102 HB2 ARG 14 HB3 ARG 14 -9.411 -18.457 -2.862 103 HB3 ARG 14 HB2 ARG 14 -11.050 -18.393 -2.227 104 HG2 ARG 14 HG3 ARG 14 -10.132 -19.733 -0.252 105 HG3 ARG 14 HG2 ARG 14 -8.540 -19.265 -0.854 106 HD2 ARG 14 HD3 ARG 14 -10.760 -17.351 -0.188 107 HD3 ARG 14 HD2 ARG 14 -9.431 -17.752 0.894 108 HE ARG 14 HE ARG 14 -8.709 -16.696 -1.722 109 HH11 ARG 14 HH11 ARG 14 -9.263 -16.073 1.671 110 HH12 ARG 14 HH12 ARG 14 -8.337 -14.608 1.696 111 HH21 ARG 14 HH21 ARG 14 -7.526 -14.732 -1.729 112 HH22 ARG 14 HH22 ARG 14 -7.362 -13.824 -0.253 113 H LYS 15 H LYS 15 -9.560 -21.136 -5.040 114 HA LYS 15 HA LYS 15 -11.694 -19.864 -6.581 115 HB2 LYS 15 HB3 LYS 15 -9.260 -19.552 -7.189 116 HB3 LYS 15 HB2 LYS 15 -9.231 -21.250 -7.638 117 HG2 LYS 15 HG3 LYS 15 -11.157 -20.699 -9.209 118 HG3 LYS 15 HG2 LYS 15 -10.751 -19.007 -8.918 119 HD2 LYS 15 HD3 LYS 15 -8.890 -21.111 -10.028 120 HD3 LYS 15 HD2 LYS 15 -9.696 -19.856 -10.961 121 HE2 LYS 15 HE3 LYS 15 -7.523 -19.052 -10.641 122 HE3 LYS 15 HE2 LYS 15 -8.488 -18.193 -9.447 123 HZ1 LYS 15 HZ1 LYS 15 -6.872 -20.618 -8.880 124 HZ2 LYS 15 HZ2 LYS 15 -7.703 -19.679 -7.744 125 HZ3 LYS 15 HZ3 LYS 15 -6.361 -19.037 -8.556 126 H LEU 16 H LEU 16 -13.274 -20.981 -7.444 127 HA LEU 16 HA LEU 16 -13.186 -23.901 -7.434 128 HB2 LEU 16 HB3 LEU 16 -15.245 -21.831 -7.267 129 HB3 LEU 16 HB2 LEU 16 -15.678 -23.142 -8.337 130 HG LEU 16 HG LEU 16 -15.046 -23.281 -5.392 131 HD11 LEU 16 HD11 LEU 16 -17.316 -22.580 -6.069 132 HD12 LEU 16 HD12 LEU 16 -17.291 -24.099 -5.180 133 HD13 LEU 16 HD13 LEU 16 -17.498 -24.104 -6.931 134 HD21 LEU 16 HD21 LEU 16 -15.468 -25.550 -7.327 135 HD22 LEU 16 HD22 LEU 16 -15.439 -25.701 -5.570 136 HD23 LEU 16 HD23 LEU 16 -13.991 -25.186 -6.434 137 H PHE 17 H PHE 17 -12.957 -25.040 -9.231 138 HA PHE 17 HA PHE 17 -12.758 -23.684 -11.807 139 HB2 PHE 17 HB3 PHE 17 -11.039 -25.342 -11.122 140 HB3 PHE 17 HB2 PHE 17 -12.282 -26.576 -11.045 141 HD1 PHE 17 HD1 PHE 17 -11.731 -28.103 -12.671 142 HD2 PHE 17 HD2 PHE 17 -11.705 -23.966 -13.630 143 HE1 PHE 17 HE1 PHE 17 -11.321 -28.661 -15.023 144 HE2 PHE 17 HE2 PHE 17 -11.293 -24.508 -15.992 145 HZ PHE 17 HZ PHE 17 -11.088 -26.854 -16.698 146 H ILE 18 H ILE 18 -14.624 -23.403 -12.890 147 HA ILE 18 HA ILE 18 -16.743 -25.415 -12.521 148 HB ILE 18 HB ILE 18 -17.114 -22.668 -13.704 149 HG12 ILE 18 HG12 ILE 18 -16.267 -22.281 -11.499 150 HG13 ILE 18 HG13 ILE 18 -18.011 -22.047 -11.441 151 HG21 ILE 18 HG21 ILE 18 -18.870 -24.276 -14.187 152 HG22 ILE 18 HG22 ILE 18 -19.458 -23.039 -13.077 153 HG23 ILE 18 HG23 ILE 18 -19.035 -24.640 -12.469 154 HD11 ILE 18 HD11 ILE 18 -18.267 -24.278 -10.474 155 HD12 ILE 18 HD12 ILE 18 -17.225 -23.246 -9.492 156 HD13 ILE 18 HD13 ILE 18 -16.517 -24.490 -10.522 157 H GLY 19 H GLY 19 -16.475 -26.905 -14.057 158 HA2 GLY 19 HA3 GLY 19 -16.068 -25.928 -16.813 159 HA3 GLY 19 HA2 GLY 19 -15.507 -27.487 -16.228 160 H GLY 20 H GLY 20 -17.280 -26.756 -18.477 161 HA2 GLY 20 HA3 GLY 20 -18.868 -28.099 -19.515 162 HA3 GLY 20 HA2 GLY 20 -19.170 -28.888 -17.976 163 H LEU 21 H LEU 21 -19.264 -25.407 -18.484 164 HA LEU 21 HA LEU 21 -22.052 -25.470 -17.614 165 HB2 LEU 21 HB3 LEU 21 -21.705 -22.968 -17.322 166 HB3 LEU 21 HB2 LEU 21 -20.867 -24.037 -16.216 167 HG LEU 21 HG LEU 21 -18.854 -23.739 -17.842 168 HD11 LEU 21 HD11 LEU 21 -20.210 -22.554 -19.567 169 HD12 LEU 21 HD12 LEU 21 -18.774 -21.677 -19.038 170 HD13 LEU 21 HD13 LEU 21 -20.361 -21.205 -18.440 171 HD21 LEU 21 HD21 LEU 21 -19.807 -21.522 -16.036 172 HD22 LEU 21 HD22 LEU 21 -18.149 -21.758 -16.590 173 HD23 LEU 21 HD23 LEU 21 -18.909 -22.958 -15.544 174 H SER 22 H SER 22 -23.441 -23.685 -18.501 175 HA SER 22 HA SER 22 -23.920 -24.188 -21.210 176 HB2 SER 22 HB3 SER 22 -25.722 -23.560 -19.741 177 HB3 SER 22 HB2 SER 22 -24.935 -22.035 -19.342 178 HG SER 22 HG SER 22 -26.538 -21.639 -20.836 179 H PHE 23 H PHE 23 -23.603 -22.951 -23.051 180 HA PHE 23 HA PHE 23 -21.278 -21.293 -23.057 181 HB2 PHE 23 HB3 PHE 23 -23.285 -21.815 -25.262 182 HB3 PHE 23 HB2 PHE 23 -21.702 -21.067 -25.466 183 HD1 PHE 23 HD1 PHE 23 -23.528 -24.132 -25.303 184 HD2 PHE 23 HD2 PHE 23 -19.651 -22.431 -24.893 185 HE1 PHE 23 HE1 PHE 23 -22.523 -26.359 -25.595 186 HE2 PHE 23 HE2 PHE 23 -18.639 -24.652 -25.190 187 HZ PHE 23 HZ PHE 23 -20.076 -26.619 -25.541 188 H GLU 24 H GLU 24 -24.431 -20.722 -22.250 189 HA GLU 24 HA GLU 24 -24.289 -17.879 -22.967 190 HB2 GLU 24 HB3 GLU 24 -26.626 -19.393 -21.785 191 HB3 GLU 24 HB2 GLU 24 -26.652 -17.789 -22.516 192 HG2 GLU 24 HG3 GLU 24 -26.008 -18.795 -24.671 193 HG3 GLU 24 HG2 GLU 24 -26.086 -20.386 -23.919 194 H THR 25 H THR 25 -23.302 -19.861 -20.622 195 HA THR 25 HA THR 25 -23.846 -18.156 -18.350 196 HB THR 25 HB THR 25 -21.936 -20.486 -18.652 197 HG1 THR 25 HG1 THR 25 -24.640 -20.294 -18.158 198 HG21 THR 25 HG21 THR 25 -21.247 -19.010 -16.837 199 HG22 THR 25 HG22 THR 25 -21.910 -20.510 -16.187 200 HG23 THR 25 HG23 THR 25 -22.880 -19.038 -16.173 201 H THR 26 H THR 26 -22.941 -16.169 -18.627 202 HA THR 26 HA THR 26 -20.063 -16.104 -19.199 203 HB THR 26 HB THR 26 -21.504 -14.754 -20.732 204 HG1 THR 26 HG1 THR 26 -19.736 -13.613 -20.875 205 HG21 THR 26 HG21 THR 26 -22.450 -12.642 -19.890 206 HG22 THR 26 HG22 THR 26 -22.030 -13.122 -18.245 207 HG23 THR 26 HG23 THR 26 -23.221 -14.050 -19.160 208 H ASP 27 H ASP 27 -19.359 -13.751 -18.133 209 HA ASP 27 HA ASP 27 -18.604 -14.310 -15.582 210 HB2 ASP 27 HB3 ASP 27 -17.646 -12.516 -16.857 211 HB3 ASP 27 HB2 ASP 27 -19.154 -11.620 -16.829 212 H GLU 28 H GLU 28 -21.290 -12.108 -16.378 213 HA GLU 28 HA GLU 28 -22.132 -11.786 -13.715 214 HB2 GLU 28 HB3 GLU 28 -24.211 -10.864 -14.696 215 HB3 GLU 28 HB2 GLU 28 -22.754 -10.182 -15.404 216 HG2 GLU 28 HG3 GLU 28 -23.008 -11.505 -17.376 217 HG3 GLU 28 HG2 GLU 28 -24.338 -12.408 -16.654 218 H SER 29 H SER 29 -23.092 -14.071 -16.238 219 HA SER 29 HA SER 29 -25.363 -15.095 -14.896 220 HB2 SER 29 HB3 SER 29 -23.712 -16.782 -16.748 221 HB3 SER 29 HB2 SER 29 -25.467 -16.661 -16.616 222 HG SER 29 HG SER 29 -25.338 -14.590 -17.576 223 H LEU 30 H LEU 30 -21.944 -15.814 -14.817 224 HA LEU 30 HA LEU 30 -22.255 -18.311 -13.427 225 HB2 LEU 30 HB3 LEU 30 -20.341 -17.789 -14.940 226 HB3 LEU 30 HB2 LEU 30 -19.779 -16.617 -13.763 227 HG LEU 30 HG LEU 30 -19.618 -18.516 -12.103 228 HD11 LEU 30 HD11 LEU 30 -19.502 -20.778 -12.998 229 HD12 LEU 30 HD12 LEU 30 -19.965 -20.181 -14.592 230 HD13 LEU 30 HD13 LEU 30 -21.100 -20.077 -13.246 231 HD21 LEU 30 HD21 LEU 30 -17.650 -17.599 -13.192 232 HD22 LEU 30 HD22 LEU 30 -17.906 -18.655 -14.581 233 HD23 LEU 30 HD23 LEU 30 -17.501 -19.347 -13.010 234 H ARG 31 H ARG 31 -21.201 -15.024 -12.555 235 HA ARG 31 HA ARG 31 -20.535 -15.709 -9.912 236 HB2 ARG 31 HB3 ARG 31 -19.938 -13.534 -9.632 237 HB3 ARG 31 HB2 ARG 31 -20.047 -13.524 -11.384 238 HG2 ARG 31 HG3 ARG 31 -22.222 -12.518 -11.299 239 HG3 ARG 31 HG2 ARG 31 -22.272 -12.696 -9.542 240 HD2 ARG 31 HD3 ARG 31 -21.756 -10.407 -10.195 241 HD3 ARG 31 HD2 ARG 31 -20.434 -11.147 -9.304 242 HE ARG 31 HE ARG 31 -20.172 -11.278 -12.180 243 HH11 ARG 31 HH11 ARG 31 -19.502 -9.458 -9.259 244 HH12 ARG 31 HH12 ARG 31 -18.173 -8.577 -9.965 245 HH21 ARG 31 HH21 ARG 31 -18.429 -10.112 -13.113 246 HH22 ARG 31 HH22 ARG 31 -17.577 -8.939 -12.141 247 H SER 32 H SER 32 -23.557 -14.542 -11.350 248 HA SER 32 HA SER 32 -24.826 -13.983 -8.891 249 HB2 SER 32 HB3 SER 32 -26.013 -14.610 -11.598 250 HB3 SER 32 HB2 SER 32 -26.917 -13.971 -10.223 251 HG SER 32 HG SER 32 -25.150 -12.268 -10.284 252 H HIS 33 H HIS 33 -24.492 -16.942 -10.748 253 HA HIS 33 HA HIS 33 -26.409 -18.284 -9.030 254 HB2 HIS 33 HB3 HIS 33 -24.912 -19.108 -11.494 255 HB3 HIS 33 HB2 HIS 33 -25.664 -20.323 -10.461 256 HD2 HIS 33 HD2 HIS 33 -28.512 -19.308 -9.875 257 HE1 HIS 33 HE1 HIS 33 -28.804 -18.269 -13.962 258 HE2 HIS 33 HE2 HIS 33 -30.060 -18.448 -11.769 259 H PHE 34 H PHE 34 -23.187 -17.512 -8.798 260 HA PHE 34 HA PHE 34 -22.739 -19.822 -7.034 261 HB2 PHE 34 HB3 PHE 34 -20.850 -18.207 -8.692 262 HB3 PHE 34 HB2 PHE 34 -20.259 -18.978 -7.224 263 HD1 PHE 34 HD1 PHE 34 -19.904 -21.314 -7.117 264 HD2 PHE 34 HD2 PHE 34 -21.783 -19.604 -10.528 265 HE1 PHE 34 HE1 PHE 34 -19.654 -23.447 -8.316 266 HE2 PHE 34 HE2 PHE 34 -21.536 -21.733 -11.736 267 HZ PHE 34 HZ PHE 34 -20.471 -23.666 -10.634 268 H GLU 35 H GLU 35 -23.037 -16.372 -7.123 269 HA GLU 35 HA GLU 35 -21.845 -15.872 -4.572 270 HB2 GLU 35 HB3 GLU 35 -23.730 -14.260 -6.281 271 HB3 GLU 35 HB2 GLU 35 -23.200 -13.711 -4.699 272 HG2 GLU 35 HG3 GLU 35 -20.844 -13.933 -5.528 273 HG3 GLU 35 HG2 GLU 35 -21.518 -14.200 -7.137 274 H GLN 36 H GLN 36 -24.213 -17.845 -5.080 275 HA GLN 36 HA GLN 36 -26.121 -16.863 -3.124 276 HB2 GLN 36 HB3 GLN 36 -26.029 -19.232 -4.966 277 HB3 GLN 36 HB2 GLN 36 -27.210 -19.117 -3.671 278 HG2 GLN 36 HG3 GLN 36 -28.225 -17.216 -4.624 279 HG3 GLN 36 HG2 GLN 36 -26.868 -16.945 -5.712 280 HE21 GLN 36 HE21 GLN 36 -26.647 -19.739 -6.460 281 HE22 GLN 36 HE22 GLN 36 -27.971 -20.065 -7.520 282 H TRP 37 H TRP 37 -23.363 -18.878 -3.287 283 HA TRP 37 HA TRP 37 -23.953 -19.879 -0.581 284 HB2 TRP 37 HB3 TRP 37 -22.293 -21.193 -2.746 285 HB3 TRP 37 HB2 TRP 37 -22.410 -21.770 -1.087 286 HD1 TRP 37 HD1 TRP 37 -24.655 -22.975 -0.354 287 HE1 TRP 37 HE1 TRP 37 -26.632 -23.943 -1.669 288 HE3 TRP 37 HE3 TRP 37 -23.702 -20.844 -4.889 289 HZ2 TRP 37 HZ2 TRP 37 -27.645 -23.838 -4.301 290 HZ3 TRP 37 HZ3 TRP 37 -25.223 -21.338 -6.759 291 HH2 TRP 37 HH2 TRP 37 -27.151 -22.801 -6.471 292 H GLY 38 H GLY 38 -22.558 -17.449 -1.850 293 HA2 GLY 38 HA3 GLY 38 -20.912 -16.799 0.226 294 HA3 GLY 38 HA2 GLY 38 -19.855 -17.686 -0.859 295 H THR 39 H THR 39 -18.765 -15.544 -0.688 296 HA THR 39 HA THR 39 -19.888 -13.546 -2.541 297 HB THR 39 HB THR 39 -17.782 -13.331 -0.381 298 HG1 THR 39 HG1 THR 39 -19.503 -12.932 0.761 299 HG21 THR 39 HG21 THR 39 -18.736 -11.244 -2.338 300 HG22 THR 39 HG22 THR 39 -17.103 -11.900 -2.182 301 HG23 THR 39 HG23 THR 39 -17.780 -10.901 -0.894 302 H LEU 40 H LEU 40 -18.948 -13.440 -4.561 303 HA LEU 40 HA LEU 40 -16.391 -14.799 -4.912 304 HB2 LEU 40 HB3 LEU 40 -17.947 -13.456 -7.098 305 HB3 LEU 40 HB2 LEU 40 -16.770 -14.746 -7.230 306 HG LEU 40 HG LEU 40 -19.594 -14.910 -6.290 307 HD11 LEU 40 HD11 LEU 40 -19.698 -16.692 -7.988 308 HD12 LEU 40 HD12 LEU 40 -18.061 -16.246 -8.470 309 HD13 LEU 40 HD13 LEU 40 -19.373 -15.081 -8.624 310 HD21 LEU 40 HD21 LEU 40 -18.480 -16.176 -4.658 311 HD22 LEU 40 HD22 LEU 40 -17.400 -16.889 -5.849 312 HD23 LEU 40 HD23 LEU 40 -19.109 -17.330 -5.834 313 H THR 41 H THR 41 -14.679 -13.633 -4.419 314 HA THR 41 HA THR 41 -14.593 -10.783 -4.789 315 HB THR 41 HB THR 41 -12.282 -10.942 -4.001 316 HG1 THR 41 HG1 THR 41 -11.250 -12.722 -4.455 317 HG21 THR 41 HG21 THR 41 -12.690 -11.939 -1.802 318 HG22 THR 41 HG22 THR 41 -14.133 -12.741 -2.428 319 HG23 THR 41 HG23 THR 41 -14.073 -10.979 -2.327 320 H ASP 42 H ASP 42 -13.601 -13.650 -6.487 321 HA ASP 42 HA ASP 42 -12.945 -12.005 -8.811 322 HB2 ASP 42 HB3 ASP 42 -11.125 -14.011 -7.535 323 HB3 ASP 42 HB2 ASP 42 -11.080 -13.780 -9.280 324 H CYS 43 H CYS 43 -14.847 -12.606 -9.751 325 HA CYS 43 HA CYS 43 -15.094 -15.442 -10.511 326 HB2 CYS 43 HB3 CYS 43 -17.455 -14.649 -11.190 327 HB3 CYS 43 HB2 CYS 43 -17.103 -14.793 -9.469 328 HG CYS 43 HG CYS 43 -17.324 -11.926 -11.308 329 H VAL 44 H VAL 44 -15.081 -15.972 -12.694 330 HA VAL 44 HA VAL 44 -15.194 -13.976 -14.744 331 HB VAL 44 HB VAL 44 -12.940 -13.533 -13.791 332 HG11 VAL 44 HG11 VAL 44 -12.390 -15.764 -13.018 333 HG12 VAL 44 HG12 VAL 44 -11.141 -15.166 -14.110 334 HG13 VAL 44 HG13 VAL 44 -12.320 -16.345 -14.681 335 HG21 VAL 44 HG21 VAL 44 -12.781 -14.713 -16.560 336 HG22 VAL 44 HG22 VAL 44 -11.747 -13.459 -15.871 337 HG23 VAL 44 HG23 VAL 44 -13.449 -13.125 -16.183 338 H VAL 45 H VAL 45 -15.332 -14.887 -16.797 339 HA VAL 45 HA VAL 45 -15.231 -17.838 -16.878 340 HB VAL 45 HB VAL 45 -16.944 -17.784 -18.627 341 HG11 VAL 45 HG11 VAL 45 -17.708 -16.319 -16.111 342 HG12 VAL 45 HG12 VAL 45 -17.639 -18.067 -16.332 343 HG13 VAL 45 HG13 VAL 45 -18.837 -17.114 -17.209 344 HG21 VAL 45 HG21 VAL 45 -17.046 -14.817 -18.099 345 HG22 VAL 45 HG22 VAL 45 -18.173 -15.722 -19.107 346 HG23 VAL 45 HG23 VAL 45 -16.479 -15.593 -19.577 347 H MET 46 H MET 46 -14.585 -18.777 -18.934 348 HA MET 46 HA MET 46 -12.671 -17.036 -20.323 349 HB2 MET 46 HB3 MET 46 -12.865 -20.056 -20.382 350 HB3 MET 46 HB2 MET 46 -11.601 -19.081 -21.112 351 HG2 MET 46 HG3 MET 46 -12.178 -19.332 -18.172 352 HG3 MET 46 HG2 MET 46 -10.856 -20.102 -19.047 353 HE1 MET 46 HE1 MET 46 -9.182 -19.156 -17.268 354 HE2 MET 46 HE2 MET 46 -10.481 -18.324 -16.407 355 HE3 MET 46 HE3 MET 46 -9.023 -17.445 -16.864 356 H ARG 47 H ARG 47 -12.872 -16.592 -22.458 357 HA ARG 47 HA ARG 47 -15.229 -17.742 -23.801 358 HB2 ARG 47 HB3 ARG 47 -13.883 -15.069 -24.226 359 HB3 ARG 47 HB2 ARG 47 -15.117 -15.723 -25.295 360 HG2 ARG 47 HG3 ARG 47 -16.307 -14.281 -23.951 361 HG3 ARG 47 HG2 ARG 47 -16.572 -15.839 -23.168 362 HD2 ARG 47 HD3 ARG 47 -15.001 -15.342 -21.459 363 HD3 ARG 47 HD2 ARG 47 -14.405 -13.927 -22.329 364 HE ARG 47 HE ARG 47 -17.196 -13.742 -21.735 365 HH11 ARG 47 HH11 ARG 47 -13.989 -13.321 -20.365 366 HH12 ARG 47 HH12 ARG 47 -14.505 -12.124 -19.212 367 HH21 ARG 47 HH21 ARG 47 -17.864 -12.163 -20.235 368 HH22 ARG 47 HH22 ARG 47 -16.710 -11.451 -19.148 369 H ASP 48 H ASP 48 -15.030 -17.863 -26.169 370 HA ASP 48 HA ASP 48 -12.620 -19.162 -26.987 371 HB2 ASP 48 HB3 ASP 48 -15.005 -19.558 -27.870 372 HB3 ASP 48 HB2 ASP 48 -14.766 -18.088 -28.801 373 HA PRO 49 HA PRO 49 -10.496 -15.454 -28.260 374 HB2 PRO 49 HB3 PRO 49 -8.554 -16.544 -29.756 375 HB3 PRO 49 HB2 PRO 49 -8.584 -16.706 -27.996 376 HG2 PRO 49 HG3 PRO 49 -9.517 -18.655 -30.086 377 HG3 PRO 49 HG2 PRO 49 -8.492 -18.957 -28.665 378 HD2 PRO 49 HD3 PRO 49 -11.141 -19.488 -28.676 379 HD3 PRO 49 HD2 PRO 49 -10.296 -18.932 -27.214 380 H ASN 50 H ASN 50 -12.219 -17.510 -30.341 381 HA ASN 50 HA ASN 50 -11.722 -15.759 -32.662 382 HB2 ASN 50 HB3 ASN 50 -13.197 -18.380 -32.791 383 HB3 ASN 50 HB2 ASN 50 -12.364 -17.524 -34.082 384 HD21 ASN 50 HD21 ASN 50 -12.026 -19.542 -31.290 385 HD22 ASN 50 HD22 ASN 50 -10.394 -20.073 -31.616 386 H THR 51 H THR 51 -14.312 -17.526 -30.991 387 HA THR 51 HA THR 51 -16.345 -15.944 -32.306 388 HB THR 51 HB THR 51 -17.937 -17.391 -31.306 389 HG1 THR 51 HG1 THR 51 -17.024 -18.962 -29.646 390 HG21 THR 51 HG21 THR 51 -17.071 -19.638 -31.795 391 HG22 THR 51 HG22 THR 51 -15.425 -18.996 -31.806 392 HG23 THR 51 HG23 THR 51 -16.585 -18.477 -33.033 393 H LYS 52 H LYS 52 -14.728 -16.080 -29.245 394 HA LYS 52 HA LYS 52 -14.706 -14.765 -27.417 395 HB2 LYS 52 HB3 LYS 52 -16.383 -12.874 -29.076 396 HB3 LYS 52 HB2 LYS 52 -15.646 -12.481 -27.528 397 HG2 LYS 52 HG3 LYS 52 -14.193 -13.200 -30.068 398 HG3 LYS 52 HG2 LYS 52 -14.315 -11.597 -29.343 399 HD2 LYS 52 HD3 LYS 52 -13.059 -13.973 -27.973 400 HD3 LYS 52 HD2 LYS 52 -12.151 -12.786 -28.909 401 HE2 LYS 52 HE3 LYS 52 -12.817 -11.026 -27.407 402 HE3 LYS 52 HE2 LYS 52 -13.872 -12.128 -26.525 403 HZ1 LYS 52 HZ1 LYS 52 -11.661 -11.663 -25.476 404 HZ2 LYS 52 HZ2 LYS 52 -10.943 -12.532 -26.742 405 HZ3 LYS 52 HZ3 LYS 52 -12.026 -13.298 -25.689 406 H ARG 53 H ARG 53 -16.861 -16.720 -28.057 407 HA ARG 53 HA ARG 53 -18.917 -15.828 -26.156 408 HB2 ARG 53 HB3 ARG 53 -18.795 -17.976 -28.233 409 HB3 ARG 53 HB2 ARG 53 -19.800 -18.252 -26.821 410 HG2 ARG 53 HG3 ARG 53 -21.179 -17.385 -28.549 411 HG3 ARG 53 HG2 ARG 53 -20.986 -16.125 -27.331 412 HD2 ARG 53 HD3 ARG 53 -19.389 -14.972 -28.692 413 HD3 ARG 53 HD2 ARG 53 -19.352 -16.299 -29.854 414 HE ARG 53 HE ARG 53 -21.987 -15.252 -29.540 415 HH11 ARG 53 HH11 ARG 53 -18.899 -14.604 -31.056 416 HH12 ARG 53 HH12 ARG 53 -19.582 -13.718 -32.387 417 HH21 ARG 53 HH21 ARG 53 -22.902 -14.078 -31.275 418 HH22 ARG 53 HH22 ARG 53 -21.867 -13.394 -32.489 419 H SER 54 H SER 54 -19.532 -17.412 -24.453 420 HA SER 54 HA SER 54 -17.393 -18.108 -22.839 421 HB2 SER 54 HB3 SER 54 -19.731 -17.893 -22.048 422 HB3 SER 54 HB2 SER 54 -20.132 -19.402 -22.867 423 HG SER 54 HG SER 54 -19.454 -19.306 -20.467 424 H ARG 55 H ARG 55 -16.061 -19.802 -22.660 425 HA ARG 55 HA ARG 55 -16.081 -21.733 -24.819 426 HB2 ARG 55 HB3 ARG 55 -14.099 -20.606 -23.042 427 HB3 ARG 55 HB2 ARG 55 -13.977 -22.361 -23.082 428 HG2 ARG 55 HG3 ARG 55 -13.973 -22.177 -25.602 429 HG3 ARG 55 HG2 ARG 55 -13.787 -20.437 -25.385 430 HD2 ARG 55 HD3 ARG 55 -11.920 -22.445 -24.153 431 HD3 ARG 55 HD2 ARG 55 -11.666 -21.774 -25.760 432 HE ARG 55 HE ARG 55 -11.884 -19.552 -24.298 433 HH11 ARG 55 HH11 ARG 55 -10.071 -22.495 -23.735 434 HH12 ARG 55 HH12 ARG 55 -8.754 -21.687 -22.931 435 HH21 ARG 55 HH21 ARG 55 -10.159 -18.480 -23.245 436 HH22 ARG 55 HH22 ARG 55 -8.814 -19.396 -22.631 437 H GLY 56 H GLY 56 -17.939 -21.748 -22.327 438 HA2 GLY 56 HA3 GLY 56 -19.192 -23.532 -21.540 439 HA3 GLY 56 HA2 GLY 56 -18.049 -24.628 -22.296 440 H PHE 57 H PHE 57 -16.697 -22.226 -20.255 441 HA PHE 57 HA PHE 57 -16.980 -23.582 -17.782 442 HB2 PHE 57 HB3 PHE 57 -14.856 -24.567 -17.470 443 HB3 PHE 57 HB2 PHE 57 -15.368 -25.092 -19.067 444 HD1 PHE 57 HD1 PHE 57 -12.688 -23.983 -17.243 445 HD2 PHE 57 HD2 PHE 57 -14.582 -23.358 -20.998 446 HE1 PHE 57 HE1 PHE 57 -10.580 -23.101 -18.157 447 HE2 PHE 57 HE2 PHE 57 -12.475 -22.487 -21.924 448 HZ PHE 57 HZ PHE 57 -10.471 -22.355 -20.502 449 H GLY 58 H GLY 58 -15.751 -22.552 -16.049 450 HA2 GLY 58 HA3 GLY 58 -14.399 -20.063 -16.595 451 HA3 GLY 58 HA2 GLY 58 -16.021 -19.848 -15.952 452 H PHE 59 H PHE 59 -14.589 -18.752 -14.269 453 HA PHE 59 HA PHE 59 -13.920 -20.728 -12.204 454 HB2 PHE 59 HB3 PHE 59 -12.237 -18.369 -13.041 455 HB3 PHE 59 HB2 PHE 59 -11.999 -19.248 -11.537 456 HD1 PHE 59 HD1 PHE 59 -11.231 -21.567 -11.563 457 HD2 PHE 59 HD2 PHE 59 -11.535 -19.274 -15.134 458 HE1 PHE 59 HE1 PHE 59 -9.784 -23.181 -12.719 459 HE2 PHE 59 HE2 PHE 59 -10.093 -20.891 -16.301 460 HZ PHE 59 HZ PHE 59 -9.214 -22.848 -15.092 461 H VAL 60 H VAL 60 -14.074 -20.022 -10.092 462 HA VAL 60 HA VAL 60 -15.359 -17.458 -9.553 463 HB VAL 60 HB VAL 60 -17.347 -18.587 -9.779 464 HG11 VAL 60 HG11 VAL 60 -17.732 -20.909 -9.086 465 HG12 VAL 60 HG12 VAL 60 -16.037 -21.029 -8.620 466 HG13 VAL 60 HG13 VAL 60 -16.469 -20.761 -10.306 467 HG21 VAL 60 HG21 VAL 60 -18.236 -19.047 -7.594 468 HG22 VAL 60 HG22 VAL 60 -17.140 -17.667 -7.518 469 HG23 VAL 60 HG23 VAL 60 -16.609 -19.244 -6.940 470 H THR 61 H THR 61 -13.977 -16.626 -8.174 471 HA THR 61 HA THR 61 -12.789 -18.328 -6.104 472 HB THR 61 HB THR 61 -12.066 -15.462 -6.747 473 HG1 THR 61 HG1 THR 61 -11.616 -16.563 -8.608 474 HG21 THR 61 HG21 THR 61 -9.938 -16.053 -5.678 475 HG22 THR 61 HG22 THR 61 -10.547 -17.678 -5.359 476 HG23 THR 61 HG23 THR 61 -11.294 -16.285 -4.575 477 H TYR 62 H TYR 62 -13.846 -18.386 -4.251 478 HA TYR 62 HA TYR 62 -15.723 -16.320 -3.499 479 HB2 TYR 62 HB3 TYR 62 -14.851 -18.922 -2.254 480 HB3 TYR 62 HB2 TYR 62 -15.905 -17.800 -1.402 481 HD1 TYR 62 HD1 TYR 62 -18.201 -17.583 -1.982 482 HD2 TYR 62 HD2 TYR 62 -15.640 -20.030 -4.333 483 HE1 TYR 62 HE1 TYR 62 -20.163 -18.564 -3.089 484 HE2 TYR 62 HE2 TYR 62 -17.598 -21.006 -5.447 485 HH TYR 62 HH TYR 62 -20.760 -19.710 -5.081 486 H ALA 63 H ALA 63 -15.647 -15.713 -1.041 487 HA ALA 63 HA ALA 63 -13.273 -14.124 -0.764 488 HB1 ALA 63 HB1 ALA 63 -15.579 -14.480 1.149 489 HB2 ALA 63 HB2 ALA 63 -15.490 -13.273 -0.135 490 HB3 ALA 63 HB3 ALA 63 -14.352 -13.214 1.214 491 H THR 64 H THR 64 -14.579 -17.035 0.665 492 HA THR 64 HA THR 64 -11.985 -17.601 1.837 493 HB THR 64 HB THR 64 -13.004 -16.534 3.713 494 HG1 THR 64 HG1 THR 64 -12.149 -18.136 4.779 495 HG21 THR 64 HG21 THR 64 -15.391 -18.324 3.283 496 HG22 THR 64 HG22 THR 64 -15.327 -16.585 2.994 497 HG23 THR 64 HG23 THR 64 -15.172 -17.213 4.635 498 H VAL 65 H VAL 65 -11.807 -19.837 2.541 499 HA VAL 65 HA VAL 65 -12.540 -21.566 0.489 500 HB VAL 65 HB VAL 65 -10.577 -21.925 1.849 501 HG11 VAL 65 HG11 VAL 65 -12.466 -22.584 4.104 502 HG12 VAL 65 HG12 VAL 65 -11.445 -21.150 3.989 503 HG13 VAL 65 HG13 VAL 65 -10.711 -22.748 4.145 504 HG21 VAL 65 HG21 VAL 65 -12.523 -24.215 2.111 505 HG22 VAL 65 HG22 VAL 65 -10.768 -24.335 2.247 506 HG23 VAL 65 HG23 VAL 65 -11.503 -23.866 0.715 507 H GLU 66 H GLU 66 -14.195 -20.942 3.539 508 HA GLU 66 HA GLU 66 -15.724 -23.307 3.617 509 HB2 GLU 66 HB3 GLU 66 -17.161 -22.173 5.207 510 HB3 GLU 66 HB2 GLU 66 -15.476 -21.823 5.561 511 HG2 GLU 66 HG3 GLU 66 -15.674 -19.640 4.569 512 HG3 GLU 66 HG2 GLU 66 -17.325 -19.989 4.059 513 H GLU 67 H GLU 67 -16.099 -20.368 1.825 514 HA GLU 67 HA GLU 67 -18.853 -20.764 1.176 515 HB2 GLU 67 HB3 GLU 67 -16.854 -19.092 -0.333 516 HB3 GLU 67 HB2 GLU 67 -18.602 -18.904 -0.300 517 HG2 GLU 67 HG3 GLU 67 -18.360 -18.430 2.173 518 HG3 GLU 67 HG2 GLU 67 -16.627 -18.311 1.873 519 H VAL 68 H VAL 68 -15.759 -21.378 -0.427 520 HA VAL 68 HA VAL 68 -16.702 -22.537 -2.793 521 HB VAL 68 HB VAL 68 -14.217 -23.048 -1.158 522 HG11 VAL 68 HG11 VAL 68 -13.332 -24.378 -3.016 523 HG12 VAL 68 HG12 VAL 68 -14.894 -24.282 -3.831 524 HG13 VAL 68 HG13 VAL 68 -14.750 -25.146 -2.301 525 HG21 VAL 68 HG21 VAL 68 -14.390 -20.912 -2.329 526 HG22 VAL 68 HG22 VAL 68 -14.673 -21.769 -3.846 527 HG23 VAL 68 HG23 VAL 68 -13.121 -21.922 -3.022 528 H ASP 69 H ASP 69 -16.058 -23.950 0.375 529 HA ASP 69 HA ASP 69 -16.722 -26.600 -0.228 530 HB2 ASP 69 HB3 ASP 69 -15.564 -26.014 1.827 531 HB3 ASP 69 HB2 ASP 69 -16.956 -25.089 2.383 532 H ALA 70 H ALA 70 -18.743 -23.885 0.822 533 HA ALA 70 HA ALA 70 -21.105 -25.361 1.253 534 HB1 ALA 70 HB1 ALA 70 -20.826 -22.467 0.450 535 HB2 ALA 70 HB2 ALA 70 -20.771 -23.086 2.102 536 HB3 ALA 70 HB3 ALA 70 -22.255 -23.220 1.157 537 H ALA 71 H ALA 71 -19.772 -23.793 -1.614 538 HA ALA 71 HA ALA 71 -22.009 -24.279 -3.294 539 HB1 ALA 71 HB1 ALA 71 -19.117 -23.856 -4.042 540 HB2 ALA 71 HB2 ALA 71 -20.328 -22.587 -3.828 541 HB3 ALA 71 HB3 ALA 71 -20.497 -23.758 -5.137 542 H MET 72 H MET 72 -19.147 -26.121 -2.433 543 HA MET 72 HA MET 72 -19.514 -28.172 -4.363 544 HB2 MET 72 HB3 MET 72 -18.068 -28.236 -1.714 545 HB3 MET 72 HB2 MET 72 -18.000 -29.506 -2.923 546 HG2 MET 72 HG3 MET 72 -17.140 -27.657 -4.502 547 HG3 MET 72 HG2 MET 72 -16.853 -26.752 -3.021 548 HE1 MET 72 HE1 MET 72 -14.320 -26.827 -4.318 549 HE2 MET 72 HE2 MET 72 -14.840 -28.085 -5.442 550 HE3 MET 72 HE3 MET 72 -13.402 -28.328 -4.449 551 H ASN 73 H ASN 73 -20.687 -27.665 -1.086 552 HA ASN 73 HA ASN 73 -21.948 -30.207 -0.831 553 HB2 ASN 73 HB3 ASN 73 -22.306 -27.573 0.583 554 HB3 ASN 73 HB2 ASN 73 -23.384 -28.926 0.903 555 HD21 ASN 73 HD21 ASN 73 -20.231 -27.606 1.361 556 HD22 ASN 73 HD22 ASN 73 -19.661 -28.811 2.462 557 H ALA 74 H ALA 74 -22.652 -27.426 -2.633 558 HA ALA 74 HA ALA 74 -25.519 -27.924 -2.726 559 HB1 ALA 74 HB1 ALA 74 -23.881 -25.750 -4.020 560 HB2 ALA 74 HB2 ALA 74 -24.726 -25.621 -2.475 561 HB3 ALA 74 HB3 ALA 74 -25.641 -25.837 -3.970 562 H ARG 75 H ARG 75 -22.992 -29.306 -4.223 563 HA ARG 75 HA ARG 75 -23.961 -29.210 -6.933 564 HB2 ARG 75 HB3 ARG 75 -22.154 -30.644 -7.507 565 HB3 ARG 75 HB2 ARG 75 -21.528 -29.501 -6.331 566 HG2 ARG 75 HG3 ARG 75 -21.750 -31.208 -4.579 567 HG3 ARG 75 HG2 ARG 75 -22.331 -32.352 -5.791 568 HD2 ARG 75 HD3 ARG 75 -19.637 -30.993 -5.798 569 HD3 ARG 75 HD2 ARG 75 -19.941 -32.656 -5.304 570 HE ARG 75 HE ARG 75 -20.766 -31.966 -8.004 571 HH11 ARG 75 HH11 ARG 75 -18.272 -33.302 -5.934 572 HH12 ARG 75 HH12 ARG 75 -17.502 -34.194 -7.218 573 HH21 ARG 75 HH21 ARG 75 -19.752 -33.121 -9.705 574 HH22 ARG 75 HH22 ARG 75 -18.343 -34.085 -9.367 575 HA PRO 76 HA PRO 76 -23.630 -31.075 -8.752 576 HB2 PRO 76 HB3 PRO 76 -25.828 -31.316 -10.384 577 HB3 PRO 76 HB2 PRO 76 -24.749 -32.651 -9.971 578 HG2 PRO 76 HG3 PRO 76 -27.395 -31.916 -8.785 579 HG3 PRO 76 HG2 PRO 76 -26.757 -33.519 -9.199 580 HD2 PRO 76 HD3 PRO 76 -26.778 -32.625 -6.669 581 HD3 PRO 76 HD2 PRO 76 -25.456 -33.636 -7.288 582 H HIS 77 H HIS 77 -23.318 -29.061 -9.383 583 HA HIS 77 HA HIS 77 -25.036 -26.994 -8.366 584 HB2 HIS 77 HB3 HIS 77 -22.418 -27.051 -8.589 585 HB3 HIS 77 HB2 HIS 77 -22.741 -26.469 -10.219 586 HD2 HIS 77 HD2 HIS 77 -22.273 -25.136 -6.734 587 HE1 HIS 77 HE1 HIS 77 -24.196 -22.090 -8.959 588 HE2 HIS 77 HE2 HIS 77 -22.805 -22.605 -6.903 589 H LYS 78 H LYS 78 -25.839 -25.239 -9.720 590 HA LYS 78 HA LYS 78 -26.453 -25.999 -12.469 591 HB2 LYS 78 HB3 LYS 78 -28.323 -26.903 -11.216 592 HB3 LYS 78 HB2 LYS 78 -28.525 -25.389 -10.347 593 HG2 LYS 78 HG3 LYS 78 -30.229 -25.556 -12.013 594 HG3 LYS 78 HG2 LYS 78 -29.101 -24.286 -12.488 595 HD2 LYS 78 HD3 LYS 78 -29.570 -25.531 -14.447 596 HD3 LYS 78 HD2 LYS 78 -27.953 -26.011 -13.927 597 HE2 LYS 78 HE3 LYS 78 -29.209 -27.964 -14.589 598 HE3 LYS 78 HE2 LYS 78 -28.919 -28.005 -12.851 599 HZ1 LYS 78 HZ1 LYS 78 -31.441 -27.030 -14.072 600 HZ2 LYS 78 HZ2 LYS 78 -31.147 -27.341 -12.431 601 HZ3 LYS 78 HZ3 LYS 78 -31.207 -28.623 -13.539 602 H VAL 79 H VAL 79 -25.764 -24.305 -13.595 603 HA VAL 79 HA VAL 79 -26.542 -21.631 -12.663 604 HB VAL 79 HB VAL 79 -24.290 -21.566 -12.100 605 HG11 VAL 79 HG11 VAL 79 -23.689 -23.090 -14.624 606 HG12 VAL 79 HG12 VAL 79 -23.609 -23.692 -12.965 607 HG13 VAL 79 HG13 VAL 79 -22.477 -22.454 -13.512 608 HG21 VAL 79 HG21 VAL 79 -23.157 -20.151 -13.752 609 HG22 VAL 79 HG22 VAL 79 -24.836 -19.667 -13.509 610 HG23 VAL 79 HG23 VAL 79 -24.381 -20.579 -14.948 611 H ASP 80 H ASP 80 -27.395 -20.336 -14.103 612 HA ASP 80 HA ASP 80 -28.443 -19.633 -15.982 613 HB2 ASP 80 HB3 ASP 80 -26.287 -19.647 -17.105 614 HB3 ASP 80 HB2 ASP 80 -26.423 -21.375 -17.410 615 H GLY 81 H GLY 81 -27.618 -23.027 -16.445 616 HA2 GLY 81 HA3 GLY 81 -30.105 -24.156 -16.031 617 HA3 GLY 81 HA2 GLY 81 -30.066 -23.711 -17.735 618 H ARG 82 H ARG 82 -27.259 -24.632 -15.900 619 HA ARG 82 HA ARG 82 -27.083 -27.159 -17.363 620 HB2 ARG 82 HB3 ARG 82 -25.872 -25.560 -18.715 621 HB3 ARG 82 HB2 ARG 82 -25.012 -24.955 -17.309 622 HG2 ARG 82 HG3 ARG 82 -23.597 -26.370 -18.694 623 HG3 ARG 82 HG2 ARG 82 -23.838 -27.069 -17.091 624 HD2 ARG 82 HD3 ARG 82 -25.504 -28.579 -17.971 625 HD3 ARG 82 HD2 ARG 82 -25.366 -27.842 -19.567 626 HE ARG 82 HE ARG 82 -22.904 -28.637 -19.313 627 HH11 ARG 82 HH11 ARG 82 -25.732 -30.342 -18.141 628 HH12 ARG 82 HH12 ARG 82 -25.031 -31.917 -18.387 629 HH21 ARG 82 HH21 ARG 82 -21.996 -30.725 -19.658 630 HH22 ARG 82 HH22 ARG 82 -22.936 -32.130 -19.239 631 H VAL 83 H VAL 83 -26.346 -28.781 -16.134 632 HA VAL 83 HA VAL 83 -25.560 -28.311 -13.408 633 HB VAL 83 HB VAL 83 -25.504 -30.871 -15.022 634 HG11 VAL 83 HG11 VAL 83 -25.318 -30.419 -12.046 635 HG12 VAL 83 HG12 VAL 83 -24.024 -30.988 -13.100 636 HG13 VAL 83 HG13 VAL 83 -25.450 -31.991 -12.835 637 HG21 VAL 83 HG21 VAL 83 -27.579 -29.803 -13.110 638 HG22 VAL 83 HG22 VAL 83 -27.600 -31.399 -13.860 639 HG23 VAL 83 HG23 VAL 83 -27.750 -29.953 -14.859 640 H VAL 84 H VAL 84 -23.556 -27.932 -12.714 641 HA VAL 84 HA VAL 84 -21.343 -28.487 -14.579 642 HB VAL 84 HB VAL 84 -20.196 -26.504 -13.733 643 HG11 VAL 84 HG11 VAL 84 -21.573 -26.276 -15.707 644 HG12 VAL 84 HG12 VAL 84 -21.664 -24.806 -14.734 645 HG13 VAL 84 HG13 VAL 84 -22.995 -25.964 -14.710 646 HG21 VAL 84 HG21 VAL 84 -21.147 -26.438 -11.484 647 HG22 VAL 84 HG22 VAL 84 -22.721 -26.005 -12.154 648 HG23 VAL 84 HG23 VAL 84 -21.362 -24.892 -12.305 649 H GLU 85 H GLU 85 -19.198 -28.513 -13.484 650 HA GLU 85 HA GLU 85 -19.371 -29.894 -10.891 651 HB2 GLU 85 HB3 GLU 85 -18.716 -31.500 -12.557 652 HB3 GLU 85 HB2 GLU 85 -17.524 -30.396 -13.231 653 HG2 GLU 85 HG3 GLU 85 -16.345 -30.513 -11.000 654 HG3 GLU 85 HG2 GLU 85 -17.428 -31.846 -10.602 655 HA PRO 86 HA PRO 86 -16.606 -26.481 -9.965 656 HB2 PRO 86 HB3 PRO 86 -17.545 -26.197 -7.395 657 HB3 PRO 86 HB2 PRO 86 -18.253 -25.426 -8.816 658 HG2 PRO 86 HG3 PRO 86 -19.374 -27.499 -7.161 659 HG3 PRO 86 HG2 PRO 86 -20.120 -26.661 -8.529 660 HD2 PRO 86 HD3 PRO 86 -18.820 -29.302 -8.428 661 HD3 PRO 86 HD2 PRO 86 -19.962 -28.651 -9.622 662 H LYS 87 H LYS 87 -14.600 -27.376 -9.803 663 HA LYS 87 HA LYS 87 -14.060 -29.021 -7.416 664 HB2 LYS 87 HB3 LYS 87 -12.260 -30.087 -8.614 665 HB3 LYS 87 HB2 LYS 87 -13.719 -30.183 -9.582 666 HG2 LYS 87 HG3 LYS 87 -12.951 -28.498 -11.065 667 HG3 LYS 87 HG2 LYS 87 -11.580 -28.123 -10.018 668 HD2 LYS 87 HD3 LYS 87 -10.796 -29.453 -11.850 669 HD3 LYS 87 HD2 LYS 87 -10.754 -30.442 -10.390 670 HE2 LYS 87 HE3 LYS 87 -11.668 -31.856 -11.993 671 HE3 LYS 87 HE2 LYS 87 -13.068 -31.257 -11.122 672 HZ1 LYS 87 HZ1 LYS 87 -13.635 -31.119 -13.352 673 HZ2 LYS 87 HZ2 LYS 87 -12.126 -30.484 -13.805 674 HZ3 LYS 87 HZ3 LYS 87 -13.221 -29.531 -12.932 675 H ARG 88 H ARG 88 -12.018 -28.735 -6.357 676 HA ARG 88 HA ARG 88 -11.222 -26.093 -5.884 677 HB2 ARG 88 HB3 ARG 88 -10.523 -28.677 -4.944 678 HB3 ARG 88 HB2 ARG 88 -9.026 -27.902 -5.433 679 HG2 ARG 88 HG3 ARG 88 -9.282 -27.427 -3.149 680 HG3 ARG 88 HG2 ARG 88 -9.731 -25.943 -3.992 681 HD2 ARG 88 HD3 ARG 88 -11.998 -26.240 -3.565 682 HD3 ARG 88 HD2 ARG 88 -11.810 -27.963 -3.243 683 HE ARG 88 HE ARG 88 -10.485 -26.180 -1.370 684 HH11 ARG 88 HH11 ARG 88 -13.325 -28.090 -2.113 685 HH12 ARG 88 HH12 ARG 88 -13.856 -28.194 -0.464 686 HH21 ARG 88 HH21 ARG 88 -11.179 -26.333 0.820 687 HH22 ARG 88 HH22 ARG 88 -12.644 -27.191 1.198 688 H ALA 89 H ALA 89 -9.934 -24.739 -6.977 689 HA ALA 89 HA ALA 89 -8.961 -25.573 -9.545 690 HB1 ALA 89 HB1 ALA 89 -8.733 -22.908 -8.166 691 HB2 ALA 89 HB2 ALA 89 -10.035 -23.406 -9.246 692 HB3 ALA 89 HB3 ALA 89 -8.393 -23.232 -9.864 693 H VAL 90 H VAL 90 -6.885 -25.574 -10.289 694 HA VAL 90 HA VAL 90 -4.778 -25.836 -8.292 695 HB VAL 90 HB VAL 90 -4.668 -26.339 -11.275 696 HG11 VAL 90 HG11 VAL 90 -2.480 -25.868 -10.325 697 HG12 VAL 90 HG12 VAL 90 -2.606 -27.569 -10.772 698 HG13 VAL 90 HG13 VAL 90 -2.739 -27.090 -9.080 699 HG21 VAL 90 HG21 VAL 90 -6.232 -27.861 -10.197 700 HG22 VAL 90 HG22 VAL 90 -5.006 -28.299 -9.007 701 HG23 VAL 90 HG23 VAL 90 -4.777 -28.720 -10.704 702 H SER 91 H SER 91 -3.131 -24.344 -8.080 703 HA SER 91 HA SER 91 -3.462 -21.748 -9.027 704 HB2 SER 91 HB3 SER 91 -2.042 -22.244 -7.100 705 HB3 SER 91 HB2 SER 91 -0.911 -23.115 -8.135 706 HG SER 91 HG SER 91 -1.219 -20.403 -7.736 707 H ARG 92 H ARG 92 -2.710 -20.626 -10.806 708 HA ARG 92 HA ARG 92 -2.157 -22.090 -13.162 709 HB2 ARG 92 HB3 ARG 92 -1.838 -19.980 -14.257 710 HB3 ARG 92 HB2 ARG 92 -3.132 -19.763 -13.087 711 HG2 ARG 92 HG3 ARG 92 -1.798 -18.503 -11.664 712 HG3 ARG 92 HG2 ARG 92 -0.304 -19.065 -12.415 713 HD2 ARG 92 HD3 ARG 92 -1.036 -17.881 -14.503 714 HD3 ARG 92 HD2 ARG 92 -2.345 -17.172 -13.556 715 HE ARG 92 HE ARG 92 0.209 -16.766 -12.339 716 HH11 ARG 92 HH11 ARG 92 -1.835 -15.645 -14.943 717 HH12 ARG 92 HH12 ARG 92 -1.256 -14.009 -14.879 718 HH21 ARG 92 HH21 ARG 92 1.003 -14.618 -12.253 719 HH22 ARG 92 HH22 ARG 92 0.356 -13.426 -13.336 720 H GLU 93 H GLU 93 -0.196 -20.836 -10.637 721 HA GLU 93 HA GLU 93 2.316 -20.853 -11.969 722 HB2 GLU 93 HB3 GLU 93 1.753 -21.174 -9.016 723 HB3 GLU 93 HB2 GLU 93 3.258 -20.641 -9.746 724 HG2 GLU 93 HG3 GLU 93 0.641 -19.154 -9.825 725 HG3 GLU 93 HG2 GLU 93 2.010 -18.787 -8.777 726 H ASP 94 H ASP 94 0.441 -23.177 -10.158 727 HA ASP 94 HA ASP 94 2.549 -25.168 -10.154 728 HB2 ASP 94 HB3 ASP 94 -0.248 -25.066 -9.054 729 HB3 ASP 94 HB2 ASP 94 0.661 -26.572 -9.096 730 H SER 95 H SER 95 -0.008 -24.223 -12.169 731 HA SER 95 HA SER 95 -0.682 -26.758 -13.266 732 HB2 SER 95 HB3 SER 95 -2.161 -24.753 -13.386 733 HB3 SER 95 HB2 SER 95 -1.021 -24.016 -14.509 734 HG SER 95 HG SER 95 -2.061 -26.579 -15.067 735 H GLN 96 H GLN 96 0.925 -27.935 -14.100 736 HA GLN 96 HA GLN 96 2.646 -26.654 -16.120 737 HB2 GLN 96 HB3 GLN 96 3.851 -27.480 -14.113 738 HB3 GLN 96 HB2 GLN 96 3.255 -29.100 -14.448 739 HG2 GLN 96 HG3 GLN 96 4.459 -29.128 -16.555 740 HG3 GLN 96 HG2 GLN 96 5.026 -27.484 -16.266 741 HE21 GLN 96 HE21 GLN 96 6.579 -27.118 -14.675 742 HE22 GLN 96 HE22 GLN 96 7.552 -28.402 -14.036 743 H ARG 97 H ARG 97 1.603 -29.966 -15.283 744 HA ARG 97 HA ARG 97 1.024 -30.398 -18.132 745 HB2 ARG 97 HB3 ARG 97 2.648 -31.946 -17.000 746 HB3 ARG 97 HB2 ARG 97 1.340 -32.471 -15.948 747 HG2 ARG 97 HG3 ARG 97 1.562 -34.093 -17.658 748 HG3 ARG 97 HG2 ARG 97 0.093 -33.178 -18.003 749 HD2 ARG 97 HD3 ARG 97 1.246 -33.458 -20.064 750 HD3 ARG 97 HD2 ARG 97 1.448 -31.776 -19.578 751 HE ARG 97 HE ARG 97 3.615 -33.375 -18.666 752 HH11 ARG 97 HH11 ARG 97 2.327 -31.796 -21.507 753 HH12 ARG 97 HH12 ARG 97 3.867 -31.676 -22.300 754 HH21 ARG 97 HH21 ARG 97 5.651 -33.217 -19.692 755 HH22 ARG 97 HH22 ARG 97 5.765 -32.480 -21.270 756 H5' U 1 H5' U 1 -16.063 -29.720 -20.435 757 H5'' U 1 H5'' U 1 -16.721 -28.081 -20.543 758 H4' U 1 H4' U 1 -15.068 -29.504 -22.380 759 H3' U 1 H3' U 1 -15.138 -26.929 -21.664 760 H2' U 1 H2' U 1 -16.975 -25.980 -22.741 761 HO2' U 1 HO2' U 1 -15.529 -25.265 -24.266 762 H1' U 1 H1' U 1 -17.568 -27.830 -24.897 763 H3 U 1 H3 U 1 -21.801 -28.730 -23.694 764 H5 U 1 H5 U 1 -20.298 -26.445 -20.509 765 H6 U 1 H6 U 1 -18.126 -26.584 -21.530 766 HO5' U 1 HO5' U 1 -18.042 -29.790 -22.186 767 H5' U 2 H5' U 2 -14.479 -27.147 -19.951 768 H5'' U 2 H5'' U 2 -13.317 -25.846 -20.268 769 H4' U 2 H4' U 2 -12.034 -26.412 -18.565 770 H3' U 2 H3' U 2 -11.506 -28.716 -19.901 771 H2' U 2 H2' U 2 -13.313 -30.010 -18.992 772 HO2' U 2 HO2' U 2 -12.315 -31.412 -17.698 773 H1' U 2 H1' U 2 -12.834 -28.642 -16.280 774 H3 U 2 H3 U 2 -16.444 -30.183 -14.224 775 H5 U 2 H5 U 2 -17.333 -30.931 -18.255 776 H6 U 2 H6 U 2 -15.256 -29.858 -18.830 777 H5' A 3 H5' A 3 -9.728 -24.189 -19.584 778 H5'' A 3 H5'' A 3 -8.336 -25.253 -19.853 779 H4' A 3 H4' A 3 -8.472 -23.041 -18.181 780 H3' A 3 H3' A 3 -6.417 -24.386 -19.238 781 H2' A 3 H2' A 3 -6.701 -26.345 -17.771 782 HO2' A 3 HO2' A 3 -4.517 -25.642 -17.612 783 H1' A 3 H1' A 3 -6.948 -24.206 -15.560 784 H8 A 3 H8 A 3 -7.268 -27.919 -16.407 785 H61 A 3 H61 A 3 -8.490 -29.454 -11.952 786 H62 A 3 H62 A 3 -8.916 -28.621 -10.475 787 H2 A 3 H2 A 3 -8.708 -24.231 -11.361 788 H5' G 4 H5' G 4 -7.088 -21.539 -18.943 789 H5'' G 4 H5'' G 4 -6.599 -20.480 -20.280 790 H4' G 4 H4' G 4 -7.407 -18.866 -18.988 791 H3' G 4 H3' G 4 -4.697 -18.773 -18.636 792 H2' G 4 H2' G 4 -4.808 -20.094 -16.542 793 HO2' G 4 HO2' G 4 -4.906 -18.259 -14.865 794 H1' G 4 H1' G 4 -7.225 -18.224 -16.098 795 H8 G 4 H8 G 4 -8.334 -18.424 -13.901 796 H1 G 4 H1 G 4 -5.558 -24.061 -12.615 797 H21 G 4 H21 G 4 -4.119 -23.718 -15.755 798 H22 G 4 H22 G 4 -4.289 -24.685 -14.309 799 H5' G 5 H5' G 5 -7.276 -16.144 -19.272 800 H5'' G 5 H5'' G 5 -6.986 -14.809 -20.400 801 H4' G 5 H4' G 5 -8.656 -13.784 -19.381 802 H3' G 5 H3' G 5 -6.608 -13.448 -17.185 803 H2' G 5 H2' G 5 -8.360 -12.399 -15.911 804 HO2' G 5 HO2' G 5 -10.271 -11.747 -16.836 805 H1' G 5 H1' G 5 -10.327 -14.289 -16.672 806 H8 G 5 H8 G 5 -7.711 -16.584 -15.991 807 H1 G 5 H1 G 5 -9.452 -13.588 -10.590 808 H21 G 5 H21 G 5 -10.983 -11.319 -12.718 809 H22 G 5 H22 G 5 -10.622 -11.783 -11.071 810 H5' U 6 H5' U 6 -6.538 -11.875 -15.014 811 H5'' U 6 H5'' U 6 -6.451 -10.301 -15.832 812 H4' U 6 H4' U 6 -4.947 -9.740 -14.316 813 H3' U 6 H3' U 6 -3.383 -10.485 -16.297 814 H2' U 6 H2' U 6 -3.376 -12.867 -15.840 815 HO2' U 6 HO2' U 6 -1.181 -12.058 -15.830 816 H1' U 6 H1' U 6 -2.857 -12.334 -12.879 817 H3 U 6 H3 U 6 -3.879 -16.396 -11.440 818 H5 U 6 H5 U 6 -5.689 -16.297 -15.229 819 H6 U 6 H6 U 6 -4.937 -14.024 -15.445 820 H5' C 7 H5' C 7 1.409 -9.786 -13.778 821 H5'' C 7 H5'' C 7 0.074 -10.811 -14.336 822 H4' C 7 H4' C 7 0.567 -10.353 -11.769 823 H3' C 7 H3' C 7 -2.085 -10.842 -13.094 824 HO3' C 7 HO3' C 7 -1.760 -12.617 -11.483 825 H2' C 7 H2' C 7 -3.189 -10.396 -11.038 826 HO2' C 7 HO2' C 7 -1.361 -10.050 -9.216 827 H1' C 7 H1' C 7 -1.383 -8.375 -10.135 828 H41 C 7 H41 C 7 -6.332 -5.607 -13.546 829 H42 C 7 H42 C 7 -6.158 -4.725 -12.045 830 H5 C 7 H5 C 7 -4.958 -7.522 -14.113 831 H6 C 7 H6 C 7 -3.130 -8.952 -13.368 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -9.878 -13.822 13.646 2 H2 ALA 1 H2 ALA 1 -9.018 -14.954 12.720 3 H3 ALA 1 H3 ALA 1 -8.184 -13.817 13.659 4 HA ALA 1 HA ALA 1 -8.177 -16.022 14.659 5 HB1 ALA 1 HB1 ALA 1 -7.989 -14.026 16.060 6 HB2 ALA 1 HB2 ALA 1 -8.840 -15.326 16.891 7 HB3 ALA 1 HB3 ALA 1 -9.744 -13.971 16.217 8 H SER 2 H SER 2 -11.345 -14.775 15.674 9 HA SER 2 HA SER 2 -12.438 -17.439 15.475 10 HB2 SER 2 HB3 SER 2 -13.697 -14.825 16.332 11 HB3 SER 2 HB2 SER 2 -14.486 -16.401 16.428 12 HG SER 2 HG SER 2 -12.307 -16.877 17.619 13 H LYS 3 H LYS 3 -12.391 -14.577 13.547 14 HA LYS 3 HA LYS 3 -14.616 -15.226 11.891 15 HB2 LYS 3 HB3 LYS 3 -13.666 -12.961 11.960 16 HB3 LYS 3 HB2 LYS 3 -12.151 -13.562 11.307 17 HG2 LYS 3 HG3 LYS 3 -13.481 -12.428 9.611 18 HG3 LYS 3 HG2 LYS 3 -13.253 -14.131 9.217 19 HD2 LYS 3 HD3 LYS 3 -15.527 -13.585 8.748 20 HD3 LYS 3 HD2 LYS 3 -15.510 -14.573 10.207 21 HE2 LYS 3 HE3 LYS 3 -15.713 -12.545 11.571 22 HE3 LYS 3 HE2 LYS 3 -15.749 -11.567 10.103 23 HZ1 LYS 3 HZ1 LYS 3 -17.764 -12.794 9.434 24 HZ2 LYS 3 HZ2 LYS 3 -17.978 -11.927 10.873 25 HZ3 LYS 3 HZ3 LYS 3 -17.749 -13.607 10.925 26 H SER 4 H SER 4 -14.545 -16.151 9.772 27 HA SER 4 HA SER 4 -13.257 -18.603 9.707 28 HB2 SER 4 HB3 SER 4 -14.316 -17.082 7.320 29 HB3 SER 4 HB2 SER 4 -14.146 -18.832 7.478 30 HG SER 4 HG SER 4 -16.303 -18.001 7.862 31 H GLU 5 H GLU 5 -12.269 -15.533 8.281 32 HA GLU 5 HA GLU 5 -9.711 -16.778 7.560 33 HB2 GLU 5 HB3 GLU 5 -9.671 -15.593 5.446 34 HB3 GLU 5 HB2 GLU 5 -11.113 -16.599 5.533 35 HG2 GLU 5 HG3 GLU 5 -12.524 -14.783 5.795 36 HG3 GLU 5 HG2 GLU 5 -11.225 -13.725 6.342 37 H SER 6 H SER 6 -8.251 -14.848 6.695 38 HA SER 6 HA SER 6 -8.700 -12.303 7.901 39 HB2 SER 6 HB3 SER 6 -7.877 -13.578 9.863 40 HB3 SER 6 HB2 SER 6 -6.405 -13.968 8.976 41 HG SER 6 HG SER 6 -5.674 -11.994 9.262 42 HA PRO 7 HA PRO 7 -4.812 -11.985 5.306 43 HB2 PRO 7 HB3 PRO 7 -3.073 -13.980 5.020 44 HB3 PRO 7 HB2 PRO 7 -3.283 -13.163 6.573 45 HG2 PRO 7 HG3 PRO 7 -4.164 -15.859 5.725 46 HG3 PRO 7 HG2 PRO 7 -3.774 -15.260 7.344 47 HD2 PRO 7 HD3 PRO 7 -6.364 -15.533 6.132 48 HD3 PRO 7 HD2 PRO 7 -5.976 -14.928 7.753 49 H LYS 8 H LYS 8 -7.040 -14.230 4.310 50 HA LYS 8 HA LYS 8 -7.619 -15.325 2.419 51 HB2 LYS 8 HB3 LYS 8 -6.024 -13.043 1.365 52 HB3 LYS 8 HB2 LYS 8 -6.412 -14.348 0.258 53 HG2 LYS 8 HG3 LYS 8 -8.052 -12.646 0.009 54 HG3 LYS 8 HG2 LYS 8 -8.814 -14.016 0.817 55 HD2 LYS 8 HD3 LYS 8 -8.670 -12.908 2.944 56 HD3 LYS 8 HD2 LYS 8 -7.730 -11.589 2.240 57 HE2 LYS 8 HE3 LYS 8 -10.056 -10.934 2.556 58 HE3 LYS 8 HE2 LYS 8 -9.633 -10.969 0.847 59 HZ1 LYS 8 HZ1 LYS 8 -11.805 -11.955 1.290 60 HZ2 LYS 8 HZ2 LYS 8 -11.092 -13.124 2.290 61 HZ3 LYS 8 HZ3 LYS 8 -10.738 -13.095 0.628 62 H GLU 9 H GLU 9 -4.461 -14.523 1.210 63 HA GLU 9 HA GLU 9 -2.501 -15.588 1.045 64 HB2 GLU 9 HB3 GLU 9 -3.774 -17.851 2.565 65 HB3 GLU 9 HB2 GLU 9 -2.094 -17.825 2.045 66 HG2 GLU 9 HG3 GLU 9 -3.378 -15.805 3.870 67 HG3 GLU 9 HG2 GLU 9 -2.381 -17.163 4.392 68 HA PRO 10 HA PRO 10 -3.005 -18.842 -2.083 69 HB2 PRO 10 HB3 PRO 10 -4.473 -21.142 -1.593 70 HB3 PRO 10 HB2 PRO 10 -2.799 -20.874 -1.102 71 HG2 PRO 10 HG3 PRO 10 -5.076 -21.147 0.580 72 HG3 PRO 10 HG2 PRO 10 -3.416 -20.771 1.064 73 HD2 PRO 10 HD3 PRO 10 -5.724 -18.951 0.647 74 HD3 PRO 10 HD2 PRO 10 -4.327 -18.781 1.732 75 H GLU 11 H GLU 11 -4.018 -17.929 -3.762 76 HA GLU 11 HA GLU 11 -6.804 -17.655 -4.110 77 HB2 GLU 11 HB3 GLU 11 -5.193 -16.336 -5.390 78 HB3 GLU 11 HB2 GLU 11 -4.559 -17.790 -6.143 79 HG2 GLU 11 HG3 GLU 11 -7.099 -18.028 -6.901 80 HG3 GLU 11 HG2 GLU 11 -7.034 -16.275 -6.720 81 H GLN 12 H GLN 12 -4.578 -20.272 -4.764 82 HA GLN 12 HA GLN 12 -6.001 -21.698 -6.677 83 HB2 GLN 12 HB3 GLN 12 -3.761 -22.333 -6.224 84 HB3 GLN 12 HB2 GLN 12 -4.096 -22.582 -4.517 85 HG2 GLN 12 HG3 GLN 12 -5.391 -24.540 -5.003 86 HG3 GLN 12 HG2 GLN 12 -5.252 -24.257 -6.731 87 HE21 GLN 12 HE21 GLN 12 -4.316 -26.270 -7.053 88 HE22 GLN 12 HE22 GLN 12 -2.674 -26.592 -6.626 89 H LEU 13 H LEU 13 -6.049 -22.209 -3.136 90 HA LEU 13 HA LEU 13 -8.047 -24.243 -3.481 91 HB2 LEU 13 HB3 LEU 13 -7.796 -24.687 -1.148 92 HB3 LEU 13 HB2 LEU 13 -6.217 -24.478 -1.873 93 HG LEU 13 HG LEU 13 -6.331 -22.071 -0.932 94 HD11 LEU 13 HD11 LEU 13 -8.382 -23.422 0.821 95 HD12 LEU 13 HD12 LEU 13 -8.688 -22.084 -0.287 96 HD13 LEU 13 HD13 LEU 13 -7.646 -21.847 1.116 97 HD21 LEU 13 HD21 LEU 13 -5.448 -22.869 1.225 98 HD22 LEU 13 HD22 LEU 13 -4.784 -23.753 -0.148 99 HD23 LEU 13 HD23 LEU 13 -6.041 -24.487 0.846 100 H ARG 14 H ARG 14 -8.182 -20.933 -3.243 101 HA ARG 14 HA ARG 14 -10.853 -20.985 -2.029 102 HB2 ARG 14 HB3 ARG 14 -8.999 -18.675 -2.610 103 HB3 ARG 14 HB2 ARG 14 -10.628 -18.499 -1.969 104 HG2 ARG 14 HG3 ARG 14 -9.920 -19.947 -0.047 105 HG3 ARG 14 HG2 ARG 14 -8.270 -19.816 -0.659 106 HD2 ARG 14 HD3 ARG 14 -8.360 -17.400 -0.436 107 HD3 ARG 14 HD2 ARG 14 -10.032 -17.500 0.116 108 HE ARG 14 HE ARG 14 -8.008 -18.933 1.666 109 HH11 ARG 14 HH11 ARG 14 -10.124 -16.174 1.338 110 HH12 ARG 14 HH12 ARG 14 -9.997 -15.702 3.004 111 HH21 ARG 14 HH21 ARG 14 -7.854 -18.371 3.852 112 HH22 ARG 14 HH22 ARG 14 -8.733 -17.003 4.456 113 H LYS 15 H LYS 15 -9.462 -21.236 -4.968 114 HA LYS 15 HA LYS 15 -11.563 -19.748 -6.359 115 HB2 LYS 15 HB3 LYS 15 -9.285 -19.252 -7.059 116 HB3 LYS 15 HB2 LYS 15 -8.991 -20.955 -7.376 117 HG2 LYS 15 HG3 LYS 15 -10.561 -20.944 -9.187 118 HG3 LYS 15 HG2 LYS 15 -11.038 -19.288 -8.815 119 HD2 LYS 15 HD3 LYS 15 -9.519 -19.370 -10.716 120 HD3 LYS 15 HD2 LYS 15 -8.791 -18.510 -9.362 121 HE2 LYS 15 HE3 LYS 15 -8.272 -21.412 -9.847 122 HE3 LYS 15 HE2 LYS 15 -7.358 -20.176 -10.694 123 HZ1 LYS 15 HZ1 LYS 15 -6.568 -19.327 -8.613 124 HZ2 LYS 15 HZ2 LYS 15 -6.250 -20.991 -8.684 125 HZ3 LYS 15 HZ3 LYS 15 -7.533 -20.419 -7.743 126 H LEU 16 H LEU 16 -13.088 -20.758 -7.492 127 HA LEU 16 HA LEU 16 -13.120 -23.690 -7.405 128 HB2 LEU 16 HB3 LEU 16 -14.960 -21.980 -6.483 129 HB3 LEU 16 HB2 LEU 16 -15.503 -22.076 -8.142 130 HG LEU 16 HG LEU 16 -15.915 -24.424 -7.967 131 HD11 LEU 16 HD11 LEU 16 -14.648 -24.204 -5.245 132 HD12 LEU 16 HD12 LEU 16 -14.042 -25.110 -6.629 133 HD13 LEU 16 HD13 LEU 16 -15.528 -25.617 -5.826 134 HD21 LEU 16 HD21 LEU 16 -17.647 -22.929 -7.105 135 HD22 LEU 16 HD22 LEU 16 -16.914 -23.003 -5.502 136 HD23 LEU 16 HD23 LEU 16 -17.616 -24.453 -6.218 137 H PHE 17 H PHE 17 -12.924 -24.797 -9.224 138 HA PHE 17 HA PHE 17 -12.923 -23.437 -11.795 139 HB2 PHE 17 HB3 PHE 17 -11.155 -25.052 -11.412 140 HB3 PHE 17 HB2 PHE 17 -12.328 -26.297 -10.998 141 HD1 PHE 17 HD1 PHE 17 -12.155 -27.955 -12.583 142 HD2 PHE 17 HD2 PHE 17 -12.214 -23.893 -13.848 143 HE1 PHE 17 HE1 PHE 17 -12.204 -28.687 -14.930 144 HE2 PHE 17 HE2 PHE 17 -12.263 -24.618 -16.196 145 HZ PHE 17 HZ PHE 17 -12.256 -27.018 -16.741 146 H ILE 18 H ILE 18 -14.689 -23.284 -12.998 147 HA ILE 18 HA ILE 18 -16.917 -25.133 -12.433 148 HB ILE 18 HB ILE 18 -17.204 -22.459 -13.783 149 HG12 ILE 18 HG12 ILE 18 -16.173 -21.961 -11.648 150 HG13 ILE 18 HG13 ILE 18 -17.877 -21.527 -11.577 151 HG21 ILE 18 HG21 ILE 18 -19.131 -24.214 -12.273 152 HG22 ILE 18 HG22 ILE 18 -19.058 -23.994 -14.021 153 HG23 ILE 18 HG23 ILE 18 -19.516 -22.646 -12.980 154 HD11 ILE 18 HD11 ILE 18 -16.607 -23.988 -10.405 155 HD12 ILE 18 HD12 ILE 18 -18.333 -23.620 -10.378 156 HD13 ILE 18 HD13 ILE 18 -17.192 -22.574 -9.522 157 H GLY 19 H GLY 19 -16.423 -26.733 -13.952 158 HA2 GLY 19 HA3 GLY 19 -16.198 -25.811 -16.747 159 HA3 GLY 19 HA2 GLY 19 -15.570 -27.339 -16.146 160 H GLY 20 H GLY 20 -17.485 -26.660 -18.333 161 HA2 GLY 20 HA3 GLY 20 -19.031 -28.219 -19.214 162 HA3 GLY 20 HA2 GLY 20 -19.413 -28.732 -17.577 163 H LEU 21 H LEU 21 -19.268 -25.353 -18.259 164 HA LEU 21 HA LEU 21 -22.142 -25.189 -17.826 165 HB2 LEU 21 HB3 LEU 21 -21.678 -22.703 -17.686 166 HB3 LEU 21 HB2 LEU 21 -20.994 -23.703 -16.422 167 HG LEU 21 HG LEU 21 -18.845 -23.635 -17.923 168 HD11 LEU 21 HD11 LEU 21 -20.174 -21.065 -18.744 169 HD12 LEU 21 HD12 LEU 21 -19.988 -22.467 -19.794 170 HD13 LEU 21 HD13 LEU 21 -18.563 -21.624 -19.187 171 HD21 LEU 21 HD21 LEU 21 -19.781 -21.284 -16.287 172 HD22 LEU 21 HD22 LEU 21 -18.107 -21.645 -16.709 173 HD23 LEU 21 HD23 LEU 21 -19.011 -22.745 -15.669 174 H SER 22 H SER 22 -23.325 -23.500 -19.144 175 HA SER 22 HA SER 22 -23.138 -24.381 -21.858 176 HB2 SER 22 HB3 SER 22 -24.955 -22.318 -20.592 177 HB3 SER 22 HB2 SER 22 -25.165 -23.035 -22.188 178 HG SER 22 HG SER 22 -26.393 -23.976 -20.360 179 H PHE 23 H PHE 23 -23.213 -22.840 -23.701 180 HA PHE 23 HA PHE 23 -21.097 -20.909 -23.505 181 HB2 PHE 23 HB3 PHE 23 -22.989 -21.405 -25.814 182 HB3 PHE 23 HB2 PHE 23 -21.439 -20.569 -25.886 183 HD1 PHE 23 HD1 PHE 23 -23.111 -23.696 -26.146 184 HD2 PHE 23 HD2 PHE 23 -19.348 -21.907 -25.283 185 HE1 PHE 23 HE1 PHE 23 -21.997 -25.843 -26.582 186 HE2 PHE 23 HE2 PHE 23 -18.226 -24.051 -25.722 187 HZ PHE 23 HZ PHE 23 -19.554 -26.025 -26.365 188 H GLU 24 H GLU 24 -24.279 -20.905 -22.746 189 HA GLU 24 HA GLU 24 -24.854 -18.126 -23.319 190 HB2 GLU 24 HB3 GLU 24 -26.448 -19.927 -21.512 191 HB3 GLU 24 HB2 GLU 24 -27.015 -18.589 -22.506 192 HG2 GLU 24 HG3 GLU 24 -26.607 -19.896 -24.518 193 HG3 GLU 24 HG2 GLU 24 -26.009 -21.231 -23.536 194 H THR 25 H THR 25 -23.376 -20.016 -20.936 195 HA THR 25 HA THR 25 -23.922 -18.381 -18.667 196 HB THR 25 HB THR 25 -21.784 -20.472 -19.126 197 HG1 THR 25 HG1 THR 25 -24.376 -20.535 -17.925 198 HG21 THR 25 HG21 THR 25 -22.755 -19.202 -16.555 199 HG22 THR 25 HG22 THR 25 -21.179 -18.941 -17.303 200 HG23 THR 25 HG23 THR 25 -21.605 -20.534 -16.677 201 H THR 26 H THR 26 -23.162 -16.437 -18.410 202 HA THR 26 HA THR 26 -20.470 -15.801 -19.397 203 HB THR 26 HB THR 26 -22.078 -14.563 -20.701 204 HG1 THR 26 HG1 THR 26 -21.554 -12.315 -19.592 205 HG21 THR 26 HG21 THR 26 -23.192 -13.601 -18.067 206 HG22 THR 26 HG22 THR 26 -23.989 -14.679 -19.212 207 HG23 THR 26 HG23 THR 26 -23.671 -13.001 -19.654 208 H ASP 27 H ASP 27 -19.600 -13.810 -18.135 209 HA ASP 27 HA ASP 27 -18.973 -14.600 -15.584 210 HB2 ASP 27 HB3 ASP 27 -17.704 -12.917 -16.781 211 HB3 ASP 27 HB2 ASP 27 -19.052 -11.788 -16.693 212 H GLU 28 H GLU 28 -21.482 -12.274 -16.522 213 HA GLU 28 HA GLU 28 -22.212 -11.592 -13.897 214 HB2 GLU 28 HB3 GLU 28 -24.170 -10.548 -14.871 215 HB3 GLU 28 HB2 GLU 28 -22.752 -10.204 -15.852 216 HG2 GLU 28 HG3 GLU 28 -23.416 -11.885 -17.457 217 HG3 GLU 28 HG2 GLU 28 -24.806 -12.313 -16.462 218 H SER 29 H SER 29 -23.365 -14.162 -16.060 219 HA SER 29 HA SER 29 -25.525 -14.783 -14.232 220 HB2 SER 29 HB3 SER 29 -26.079 -16.599 -15.791 221 HB3 SER 29 HB2 SER 29 -25.886 -15.073 -16.649 222 HG SER 29 HG SER 29 -24.673 -17.355 -17.124 223 H LEU 30 H LEU 30 -22.286 -15.793 -14.891 224 HA LEU 30 HA LEU 30 -22.449 -18.325 -13.588 225 HB2 LEU 30 HB3 LEU 30 -20.725 -17.563 -15.306 226 HB3 LEU 30 HB2 LEU 30 -19.964 -16.667 -14.010 227 HG LEU 30 HG LEU 30 -18.954 -18.923 -14.607 228 HD11 LEU 30 HD11 LEU 30 -18.384 -17.772 -12.547 229 HD12 LEU 30 HD12 LEU 30 -18.488 -19.512 -12.283 230 HD13 LEU 30 HD13 LEU 30 -19.801 -18.460 -11.753 231 HD21 LEU 30 HD21 LEU 30 -21.020 -20.173 -14.853 232 HD22 LEU 30 HD22 LEU 30 -21.397 -19.914 -13.149 233 HD23 LEU 30 HD23 LEU 30 -19.999 -20.889 -13.605 234 H ARG 31 H ARG 31 -21.148 -15.141 -12.600 235 HA ARG 31 HA ARG 31 -20.412 -16.085 -10.034 236 HB2 ARG 31 HB3 ARG 31 -19.675 -13.956 -9.546 237 HB3 ARG 31 HB2 ARG 31 -19.593 -13.953 -11.300 238 HG2 ARG 31 HG3 ARG 31 -21.608 -12.680 -11.458 239 HG3 ARG 31 HG2 ARG 31 -21.904 -12.865 -9.722 240 HD2 ARG 31 HD3 ARG 31 -19.353 -11.611 -10.604 241 HD3 ARG 31 HD2 ARG 31 -20.837 -10.659 -10.694 242 HE ARG 31 HE ARG 31 -21.062 -11.481 -8.233 243 HH11 ARG 31 HH11 ARG 31 -18.077 -10.535 -9.823 244 HH12 ARG 31 HH12 ARG 31 -17.361 -9.902 -8.373 245 HH21 ARG 31 HH21 ARG 31 -20.120 -10.690 -6.333 246 HH22 ARG 31 HH22 ARG 31 -18.521 -10.000 -6.375 247 H SER 32 H SER 32 -23.340 -14.533 -11.269 248 HA SER 32 HA SER 32 -24.465 -13.906 -8.776 249 HB2 SER 32 HB3 SER 32 -25.827 -14.497 -11.411 250 HB3 SER 32 HB2 SER 32 -26.625 -13.794 -10.002 251 HG SER 32 HG SER 32 -24.978 -12.624 -11.851 252 H HIS 33 H HIS 33 -24.471 -16.888 -10.644 253 HA HIS 33 HA HIS 33 -26.333 -18.213 -8.939 254 HB2 HIS 33 HB3 HIS 33 -24.409 -19.134 -11.045 255 HB3 HIS 33 HB2 HIS 33 -25.158 -20.313 -9.973 256 HD2 HIS 33 HD2 HIS 33 -25.914 -18.379 -13.156 257 HE1 HIS 33 HE1 HIS 33 -29.543 -20.099 -11.832 258 HE2 HIS 33 HE2 HIS 33 -28.437 -18.724 -13.651 259 H PHE 34 H PHE 34 -22.790 -18.029 -9.059 260 HA PHE 34 HA PHE 34 -22.565 -19.921 -6.905 261 HB2 PHE 34 HB3 PHE 34 -20.586 -18.366 -8.526 262 HB3 PHE 34 HB2 PHE 34 -20.077 -19.191 -7.052 263 HD1 PHE 34 HD1 PHE 34 -20.135 -21.604 -6.894 264 HD2 PHE 34 HD2 PHE 34 -21.242 -19.606 -10.481 265 HE1 PHE 34 HE1 PHE 34 -19.984 -23.730 -8.119 266 HE2 PHE 34 HE2 PHE 34 -21.091 -21.727 -11.713 267 HZ PHE 34 HZ PHE 34 -20.466 -23.794 -10.531 268 H GLU 35 H GLU 35 -23.057 -16.562 -7.053 269 HA GLU 35 HA GLU 35 -21.792 -15.929 -4.565 270 HB2 GLU 35 HB3 GLU 35 -23.772 -14.457 -6.277 271 HB3 GLU 35 HB2 GLU 35 -23.278 -13.849 -4.703 272 HG2 GLU 35 HG3 GLU 35 -20.901 -14.005 -5.537 273 HG3 GLU 35 HG2 GLU 35 -21.582 -14.281 -7.139 274 H GLN 36 H GLN 36 -24.252 -17.914 -5.131 275 HA GLN 36 HA GLN 36 -26.113 -17.025 -3.121 276 HB2 GLN 36 HB3 GLN 36 -25.876 -19.570 -4.711 277 HB3 GLN 36 HB2 GLN 36 -27.116 -19.316 -3.493 278 HG2 GLN 36 HG3 GLN 36 -28.029 -17.471 -4.737 279 HG3 GLN 36 HG2 GLN 36 -26.707 -17.558 -5.901 280 HE21 GLN 36 HE21 GLN 36 -26.610 -19.313 -7.313 281 HE22 GLN 36 HE22 GLN 36 -28.014 -20.237 -7.710 282 H TRP 37 H TRP 37 -23.411 -19.237 -3.317 283 HA TRP 37 HA TRP 37 -23.915 -20.081 -0.550 284 HB2 TRP 37 HB3 TRP 37 -22.153 -21.362 -2.657 285 HB3 TRP 37 HB2 TRP 37 -22.357 -21.948 -1.012 286 HD1 TRP 37 HD1 TRP 37 -24.519 -23.322 -0.455 287 HE1 TRP 37 HE1 TRP 37 -26.435 -24.277 -1.870 288 HE3 TRP 37 HE3 TRP 37 -23.580 -20.877 -4.845 289 HZ2 TRP 37 HZ2 TRP 37 -27.416 -24.040 -4.499 290 HZ3 TRP 37 HZ3 TRP 37 -25.056 -21.308 -6.763 291 HH2 TRP 37 HH2 TRP 37 -26.933 -22.856 -6.594 292 H GLY 38 H GLY 38 -22.461 -17.648 -1.905 293 HA2 GLY 38 HA3 GLY 38 -20.788 -17.005 0.180 294 HA3 GLY 38 HA2 GLY 38 -19.775 -17.876 -0.956 295 H THR 39 H THR 39 -18.746 -15.652 -0.678 296 HA THR 39 HA THR 39 -19.886 -13.744 -2.612 297 HB THR 39 HB THR 39 -17.956 -13.363 -0.317 298 HG1 THR 39 HG1 THR 39 -20.664 -12.815 -0.785 299 HG21 THR 39 HG21 THR 39 -18.014 -10.942 -0.930 300 HG22 THR 39 HG22 THR 39 -18.790 -11.396 -2.450 301 HG23 THR 39 HG23 THR 39 -17.157 -11.962 -2.087 302 H LEU 40 H LEU 40 -18.900 -13.667 -4.560 303 HA LEU 40 HA LEU 40 -16.311 -14.961 -4.854 304 HB2 LEU 40 HB3 LEU 40 -18.012 -13.723 -7.010 305 HB3 LEU 40 HB2 LEU 40 -16.701 -14.869 -7.218 306 HG LEU 40 HG LEU 40 -19.258 -15.500 -5.788 307 HD11 LEU 40 HD11 LEU 40 -19.811 -15.084 -8.056 308 HD12 LEU 40 HD12 LEU 40 -19.798 -16.829 -7.795 309 HD13 LEU 40 HD13 LEU 40 -18.446 -16.047 -8.608 310 HD21 LEU 40 HD21 LEU 40 -18.438 -17.851 -6.257 311 HD22 LEU 40 HD22 LEU 40 -17.621 -16.937 -4.990 312 HD23 LEU 40 HD23 LEU 40 -16.871 -17.102 -6.574 313 H THR 41 H THR 41 -14.684 -13.719 -4.250 314 HA THR 41 HA THR 41 -14.622 -10.886 -4.550 315 HB THR 41 HB THR 41 -12.211 -11.148 -3.893 316 HG1 THR 41 HG1 THR 41 -11.363 -13.141 -3.648 317 HG21 THR 41 HG21 THR 41 -13.972 -10.882 -2.201 318 HG22 THR 41 HG22 THR 41 -12.677 -11.930 -1.622 319 HG23 THR 41 HG23 THR 41 -14.201 -12.631 -2.169 320 H ASP 42 H ASP 42 -13.648 -13.622 -6.450 321 HA ASP 42 HA ASP 42 -12.888 -11.804 -8.617 322 HB2 ASP 42 HB3 ASP 42 -10.805 -12.611 -7.514 323 HB3 ASP 42 HB2 ASP 42 -11.281 -14.258 -7.885 324 H CYS 43 H CYS 43 -14.471 -12.219 -10.026 325 HA CYS 43 HA CYS 43 -14.986 -15.048 -10.637 326 HB2 CYS 43 HB3 CYS 43 -17.179 -14.370 -11.477 327 HB3 CYS 43 HB2 CYS 43 -16.973 -13.831 -9.814 328 HG CYS 43 HG CYS 43 -17.161 -11.987 -12.658 329 H VAL 44 H VAL 44 -15.056 -15.685 -12.814 330 HA VAL 44 HA VAL 44 -14.870 -13.871 -14.970 331 HB VAL 44 HB VAL 44 -12.600 -13.532 -14.100 332 HG11 VAL 44 HG11 VAL 44 -10.937 -15.336 -14.222 333 HG12 VAL 44 HG12 VAL 44 -12.217 -16.473 -14.646 334 HG13 VAL 44 HG13 VAL 44 -12.220 -15.691 -13.065 335 HG21 VAL 44 HG21 VAL 44 -12.591 -15.024 -16.718 336 HG22 VAL 44 HG22 VAL 44 -11.398 -13.843 -16.171 337 HG23 VAL 44 HG23 VAL 44 -13.053 -13.335 -16.509 338 H VAL 45 H VAL 45 -15.297 -14.862 -16.869 339 HA VAL 45 HA VAL 45 -15.146 -17.807 -16.926 340 HB VAL 45 HB VAL 45 -17.040 -17.784 -18.532 341 HG11 VAL 45 HG11 VAL 45 -17.460 -18.238 -16.180 342 HG12 VAL 45 HG12 VAL 45 -18.807 -17.352 -16.895 343 HG13 VAL 45 HG13 VAL 45 -17.646 -16.512 -15.868 344 HG21 VAL 45 HG21 VAL 45 -18.428 -15.779 -18.745 345 HG22 VAL 45 HG22 VAL 45 -16.802 -15.515 -19.377 346 HG23 VAL 45 HG23 VAL 45 -17.251 -14.867 -17.800 347 H MET 46 H MET 46 -14.265 -18.740 -18.696 348 HA MET 46 HA MET 46 -12.621 -16.992 -20.298 349 HB2 MET 46 HB3 MET 46 -12.825 -19.975 -20.014 350 HB3 MET 46 HB2 MET 46 -11.838 -19.236 -21.262 351 HG2 MET 46 HG3 MET 46 -10.481 -19.802 -19.364 352 HG3 MET 46 HG2 MET 46 -10.565 -18.055 -19.552 353 HE1 MET 46 HE1 MET 46 -9.504 -19.497 -16.938 354 HE2 MET 46 HE2 MET 46 -10.241 -18.450 -15.720 355 HE3 MET 46 HE3 MET 46 -9.568 -17.750 -17.196 356 H ARG 47 H ARG 47 -12.814 -16.579 -22.411 357 HA ARG 47 HA ARG 47 -15.304 -17.524 -23.664 358 HB2 ARG 47 HB3 ARG 47 -13.689 -15.185 -24.657 359 HB3 ARG 47 HB2 ARG 47 -15.393 -15.528 -24.917 360 HG2 ARG 47 HG3 ARG 47 -14.172 -14.679 -22.296 361 HG3 ARG 47 HG2 ARG 47 -15.002 -13.613 -23.426 362 HD2 ARG 47 HD3 ARG 47 -17.009 -15.119 -23.177 363 HD3 ARG 47 HD2 ARG 47 -16.152 -15.897 -21.847 364 HE ARG 47 HE ARG 47 -16.048 -13.480 -20.934 365 HH11 ARG 47 HH11 ARG 47 -18.682 -14.909 -22.735 366 HH12 ARG 47 HH12 ARG 47 -19.898 -13.867 -22.055 367 HH21 ARG 47 HH21 ARG 47 -17.645 -12.099 -20.007 368 HH22 ARG 47 HH22 ARG 47 -19.309 -12.286 -20.489 369 H ASP 48 H ASP 48 -15.275 -18.176 -25.803 370 HA ASP 48 HA ASP 48 -13.101 -19.688 -26.694 371 HB2 ASP 48 HB3 ASP 48 -15.579 -19.746 -27.432 372 HB3 ASP 48 HB2 ASP 48 -15.126 -18.454 -28.536 373 HA PRO 49 HA PRO 49 -10.440 -16.465 -28.153 374 HB2 PRO 49 HB3 PRO 49 -8.894 -17.926 -29.851 375 HB3 PRO 49 HB2 PRO 49 -8.715 -17.959 -28.094 376 HG2 PRO 49 HG3 PRO 49 -10.145 -19.882 -29.891 377 HG3 PRO 49 HG2 PRO 49 -9.076 -20.222 -28.514 378 HD2 PRO 49 HD3 PRO 49 -11.761 -20.334 -28.306 379 HD3 PRO 49 HD2 PRO 49 -10.737 -19.783 -26.962 380 H ASN 50 H ASN 50 -12.548 -18.278 -30.163 381 HA ASN 50 HA ASN 50 -11.991 -16.539 -32.477 382 HB2 ASN 50 HB3 ASN 50 -13.807 -18.944 -32.498 383 HB3 ASN 50 HB2 ASN 50 -13.019 -18.159 -33.861 384 HD21 ASN 50 HD21 ASN 50 -12.634 -20.263 -31.139 385 HD22 ASN 50 HD22 ASN 50 -11.130 -20.977 -31.657 386 H THR 51 H THR 51 -14.722 -17.988 -30.717 387 HA THR 51 HA THR 51 -16.589 -16.208 -31.980 388 HB THR 51 HB THR 51 -18.307 -17.400 -30.861 389 HG1 THR 51 HG1 THR 51 -17.775 -18.852 -29.097 390 HG21 THR 51 HG21 THR 51 -16.043 -19.342 -31.350 391 HG22 THR 51 HG22 THR 51 -17.153 -18.721 -32.574 392 HG23 THR 51 HG23 THR 51 -17.758 -19.751 -31.276 393 H LYS 52 H LYS 52 -14.888 -16.407 -28.964 394 HA LYS 52 HA LYS 52 -14.672 -15.047 -27.177 395 HB2 LYS 52 HB3 LYS 52 -16.026 -12.955 -28.889 396 HB3 LYS 52 HB2 LYS 52 -15.095 -12.658 -27.429 397 HG2 LYS 52 HG3 LYS 52 -14.033 -13.751 -30.028 398 HG3 LYS 52 HG2 LYS 52 -13.799 -12.120 -29.405 399 HD2 LYS 52 HD3 LYS 52 -12.818 -14.650 -28.079 400 HD3 LYS 52 HD2 LYS 52 -11.829 -13.566 -29.057 401 HE2 LYS 52 HE3 LYS 52 -12.330 -11.743 -27.461 402 HE3 LYS 52 HE2 LYS 52 -13.214 -12.896 -26.465 403 HZ1 LYS 52 HZ1 LYS 52 -10.318 -13.026 -27.130 404 HZ2 LYS 52 HZ2 LYS 52 -11.162 -14.167 -26.203 405 HZ3 LYS 52 HZ3 LYS 52 -10.981 -12.582 -25.632 406 H ARG 53 H ARG 53 -17.115 -16.660 -27.640 407 HA ARG 53 HA ARG 53 -19.147 -15.134 -26.184 408 HB2 ARG 53 HB3 ARG 53 -19.167 -17.549 -27.882 409 HB3 ARG 53 HB2 ARG 53 -20.246 -17.602 -26.498 410 HG2 ARG 53 HG3 ARG 53 -21.421 -16.805 -28.444 411 HG3 ARG 53 HG2 ARG 53 -21.297 -15.520 -27.244 412 HD2 ARG 53 HD3 ARG 53 -19.526 -14.467 -28.469 413 HD3 ARG 53 HD2 ARG 53 -19.441 -15.821 -29.596 414 HE ARG 53 HE ARG 53 -22.045 -14.700 -29.593 415 HH11 ARG 53 HH11 ARG 53 -18.786 -14.043 -30.688 416 HH12 ARG 53 HH12 ARG 53 -19.302 -13.114 -32.062 417 HH21 ARG 53 HH21 ARG 53 -22.729 -13.479 -31.390 418 HH22 ARG 53 HH22 ARG 53 -21.541 -12.786 -32.461 419 H SER 54 H SER 54 -18.161 -18.533 -25.935 420 HA SER 54 HA SER 54 -17.219 -18.184 -23.237 421 HB2 SER 54 HB3 SER 54 -19.671 -18.347 -22.896 422 HB3 SER 54 HB2 SER 54 -19.677 -19.889 -23.749 423 HG SER 54 HG SER 54 -19.435 -19.650 -21.238 424 H ARG 55 H ARG 55 -16.121 -20.045 -22.461 425 HA ARG 55 HA ARG 55 -15.307 -21.857 -24.614 426 HB2 ARG 55 HB3 ARG 55 -14.057 -20.996 -22.037 427 HB3 ARG 55 HB2 ARG 55 -13.536 -22.466 -22.822 428 HG2 ARG 55 HG3 ARG 55 -13.130 -21.064 -24.888 429 HG3 ARG 55 HG2 ARG 55 -13.343 -19.661 -23.836 430 HD2 ARG 55 HD3 ARG 55 -11.579 -20.656 -22.348 431 HD3 ARG 55 HD2 ARG 55 -11.282 -21.836 -23.618 432 HE ARG 55 HE ARG 55 -11.098 -19.050 -24.419 433 HH11 ARG 55 HH11 ARG 55 -9.464 -21.958 -23.393 434 HH12 ARG 55 HH12 ARG 55 -7.881 -21.413 -23.862 435 HH21 ARG 55 HH21 ARG 55 -8.983 -18.301 -25.049 436 HH22 ARG 55 HH22 ARG 55 -7.609 -19.337 -24.799 437 H GLY 56 H GLY 56 -17.510 -21.831 -22.176 438 HA2 GLY 56 HA3 GLY 56 -18.848 -23.633 -21.515 439 HA3 GLY 56 HA2 GLY 56 -17.641 -24.740 -22.161 440 H PHE 57 H PHE 57 -16.402 -22.276 -20.155 441 HA PHE 57 HA PHE 57 -16.847 -23.514 -17.639 442 HB2 PHE 57 HB3 PHE 57 -14.495 -24.130 -17.143 443 HB3 PHE 57 HB2 PHE 57 -15.219 -25.136 -18.386 444 HD1 PHE 57 HD1 PHE 57 -12.924 -22.269 -17.859 445 HD2 PHE 57 HD2 PHE 57 -14.225 -25.372 -20.452 446 HE1 PHE 57 HE1 PHE 57 -11.027 -21.797 -19.356 447 HE2 PHE 57 HE2 PHE 57 -12.344 -24.896 -21.973 448 HZ PHE 57 HZ PHE 57 -10.742 -23.106 -21.423 449 H GLY 58 H GLY 58 -15.707 -22.431 -15.884 450 HA2 GLY 58 HA3 GLY 58 -14.350 -19.940 -16.439 451 HA3 GLY 58 HA2 GLY 58 -15.973 -19.742 -15.786 452 H PHE 59 H PHE 59 -14.369 -18.656 -14.146 453 HA PHE 59 HA PHE 59 -13.906 -20.637 -12.030 454 HB2 PHE 59 HB3 PHE 59 -11.959 -18.510 -12.923 455 HB3 PHE 59 HB2 PHE 59 -11.827 -19.366 -11.392 456 HD1 PHE 59 HD1 PHE 59 -11.052 -21.621 -11.295 457 HD2 PHE 59 HD2 PHE 59 -11.623 -19.686 -15.034 458 HE1 PHE 59 HE1 PHE 59 -9.804 -23.420 -12.415 459 HE2 PHE 59 HE2 PHE 59 -10.377 -21.475 -16.165 460 HZ PHE 59 HZ PHE 59 -9.465 -23.351 -14.853 461 H VAL 60 H VAL 60 -13.972 -19.835 -9.924 462 HA VAL 60 HA VAL 60 -14.896 -17.105 -9.473 463 HB VAL 60 HB VAL 60 -16.726 -18.162 -7.953 464 HG11 VAL 60 HG11 VAL 60 -17.085 -16.589 -9.753 465 HG12 VAL 60 HG12 VAL 60 -18.329 -17.843 -9.743 466 HG13 VAL 60 HG13 VAL 60 -17.022 -17.907 -10.925 467 HG21 VAL 60 HG21 VAL 60 -17.798 -20.108 -9.015 468 HG22 VAL 60 HG22 VAL 60 -16.216 -20.478 -8.334 469 HG23 VAL 60 HG23 VAL 60 -16.395 -20.264 -10.074 470 H THR 61 H THR 61 -13.605 -16.382 -7.992 471 HA THR 61 HA THR 61 -12.554 -18.203 -5.952 472 HB THR 61 HB THR 61 -11.757 -15.339 -6.530 473 HG1 THR 61 HG1 THR 61 -10.801 -16.187 -8.218 474 HG21 THR 61 HG21 THR 61 -11.161 -16.109 -4.284 475 HG22 THR 61 HG22 THR 61 -9.720 -15.920 -5.284 476 HG23 THR 61 HG23 THR 61 -10.372 -17.529 -4.970 477 H TYR 62 H TYR 62 -13.428 -18.224 -4.002 478 HA TYR 62 HA TYR 62 -15.499 -16.295 -3.365 479 HB2 TYR 62 HB3 TYR 62 -14.580 -18.869 -2.105 480 HB3 TYR 62 HB2 TYR 62 -15.713 -17.803 -1.288 481 HD1 TYR 62 HD1 TYR 62 -17.985 -17.742 -1.889 482 HD2 TYR 62 HD2 TYR 62 -15.239 -19.896 -4.318 483 HE1 TYR 62 HE1 TYR 62 -19.863 -18.763 -3.092 484 HE2 TYR 62 HE2 TYR 62 -17.115 -20.927 -5.530 485 HH TYR 62 HH TYR 62 -20.354 -19.813 -5.163 486 H ALA 63 H ALA 63 -15.611 -15.687 -0.934 487 HA ALA 63 HA ALA 63 -13.336 -14.006 -0.467 488 HB1 ALA 63 HB1 ALA 63 -15.767 -14.503 1.254 489 HB2 ALA 63 HB2 ALA 63 -15.608 -13.244 0.028 490 HB3 ALA 63 HB3 ALA 63 -14.592 -13.204 1.470 491 H THR 64 H THR 64 -14.697 -16.918 0.936 492 HA THR 64 HA THR 64 -12.113 -17.465 2.167 493 HB THR 64 HB THR 64 -13.208 -16.623 4.080 494 HG1 THR 64 HG1 THR 64 -12.324 -18.498 4.751 495 HG21 THR 64 HG21 THR 64 -15.452 -17.171 4.772 496 HG22 THR 64 HG22 THR 64 -15.628 -18.299 3.430 497 HG23 THR 64 HG23 THR 64 -15.495 -16.569 3.114 498 H VAL 65 H VAL 65 -11.807 -19.716 2.641 499 HA VAL 65 HA VAL 65 -12.677 -21.408 0.579 500 HB VAL 65 HB VAL 65 -10.547 -21.692 1.758 501 HG11 VAL 65 HG11 VAL 65 -10.461 -22.684 3.986 502 HG12 VAL 65 HG12 VAL 65 -12.221 -22.617 4.087 503 HG13 VAL 65 HG13 VAL 65 -11.285 -21.122 4.007 504 HG21 VAL 65 HG21 VAL 65 -11.459 -23.580 0.544 505 HG22 VAL 65 HG22 VAL 65 -12.360 -24.088 1.973 506 HG23 VAL 65 HG23 VAL 65 -10.597 -24.132 1.981 507 H GLU 66 H GLU 66 -14.032 -20.647 3.663 508 HA GLU 66 HA GLU 66 -15.619 -22.885 4.176 509 HB2 GLU 66 HB3 GLU 66 -16.325 -19.989 4.679 510 HB3 GLU 66 HB2 GLU 66 -17.038 -21.382 5.478 511 HG2 GLU 66 HG3 GLU 66 -14.154 -20.555 5.675 512 HG3 GLU 66 HG2 GLU 66 -15.399 -20.216 6.875 513 H GLU 67 H GLU 67 -16.114 -20.148 2.040 514 HA GLU 67 HA GLU 67 -18.833 -20.781 1.436 515 HB2 GLU 67 HB3 GLU 67 -16.982 -19.083 -0.220 516 HB3 GLU 67 HB2 GLU 67 -18.733 -18.986 -0.106 517 HG2 GLU 67 HG3 GLU 67 -18.456 -18.321 2.284 518 HG3 GLU 67 HG2 GLU 67 -16.723 -18.230 1.984 519 H VAL 68 H VAL 68 -15.710 -21.337 -0.093 520 HA VAL 68 HA VAL 68 -16.517 -22.498 -2.484 521 HB VAL 68 HB VAL 68 -14.118 -23.040 -0.738 522 HG11 VAL 68 HG11 VAL 68 -14.761 -24.257 -3.421 523 HG12 VAL 68 HG12 VAL 68 -14.485 -25.109 -1.904 524 HG13 VAL 68 HG13 VAL 68 -13.153 -24.262 -2.694 525 HG21 VAL 68 HG21 VAL 68 -14.232 -20.870 -1.861 526 HG22 VAL 68 HG22 VAL 68 -14.433 -21.687 -3.413 527 HG23 VAL 68 HG23 VAL 68 -12.927 -21.863 -2.514 528 H ASP 69 H ASP 69 -16.059 -23.993 0.693 529 HA ASP 69 HA ASP 69 -16.588 -26.639 -0.028 530 HB2 ASP 69 HB3 ASP 69 -15.664 -25.896 2.172 531 HB3 ASP 69 HB2 ASP 69 -17.273 -25.331 2.613 532 H ALA 70 H ALA 70 -18.789 -24.083 1.059 533 HA ALA 70 HA ALA 70 -21.106 -25.673 1.197 534 HB1 ALA 70 HB1 ALA 70 -20.913 -22.717 0.634 535 HB2 ALA 70 HB2 ALA 70 -20.915 -23.458 2.236 536 HB3 ALA 70 HB3 ALA 70 -22.340 -23.583 1.202 537 H ALA 71 H ALA 71 -19.703 -23.780 -1.430 538 HA ALA 71 HA ALA 71 -21.815 -24.131 -3.278 539 HB1 ALA 71 HB1 ALA 71 -20.215 -23.407 -4.960 540 HB2 ALA 71 HB2 ALA 71 -18.889 -23.648 -3.821 541 HB3 ALA 71 HB3 ALA 71 -20.098 -22.399 -3.516 542 H MET 72 H MET 72 -18.996 -26.052 -2.458 543 HA MET 72 HA MET 72 -19.192 -27.840 -4.652 544 HB2 MET 72 HB3 MET 72 -17.941 -28.216 -1.924 545 HB3 MET 72 HB2 MET 72 -17.782 -29.356 -3.249 546 HG2 MET 72 HG3 MET 72 -16.734 -27.509 -4.586 547 HG3 MET 72 HG2 MET 72 -16.735 -26.547 -3.111 548 HE1 MET 72 HE1 MET 72 -14.318 -27.773 -5.157 549 HE2 MET 72 HE2 MET 72 -13.020 -27.924 -3.973 550 HE3 MET 72 HE3 MET 72 -14.028 -26.476 -3.997 551 H ASN 73 H ASN 73 -20.473 -27.882 -1.354 552 HA ASN 73 HA ASN 73 -21.666 -30.451 -1.526 553 HB2 ASN 73 HB3 ASN 73 -22.259 -28.087 0.255 554 HB3 ASN 73 HB2 ASN 73 -23.119 -29.615 0.385 555 HD21 ASN 73 HD21 ASN 73 -20.202 -27.916 1.015 556 HD22 ASN 73 HD22 ASN 73 -19.432 -29.157 1.936 557 H ALA 74 H ALA 74 -22.429 -27.535 -2.998 558 HA ALA 74 HA ALA 74 -25.294 -27.906 -3.058 559 HB1 ALA 74 HB1 ALA 74 -23.547 -25.884 -4.449 560 HB2 ALA 74 HB2 ALA 74 -24.345 -25.662 -2.889 561 HB3 ALA 74 HB3 ALA 74 -25.307 -25.844 -4.359 562 H ARG 75 H ARG 75 -23.243 -29.781 -4.402 563 HA ARG 75 HA ARG 75 -24.026 -29.623 -7.180 564 HB2 ARG 75 HB3 ARG 75 -22.508 -31.338 -7.606 565 HB3 ARG 75 HB2 ARG 75 -21.763 -30.485 -6.267 566 HG2 ARG 75 HG3 ARG 75 -23.361 -33.027 -6.032 567 HG3 ARG 75 HG2 ARG 75 -21.602 -32.921 -6.055 568 HD2 ARG 75 HD3 ARG 75 -21.709 -31.504 -4.027 569 HD3 ARG 75 HD2 ARG 75 -23.454 -31.750 -3.985 570 HE ARG 75 HE ARG 75 -21.843 -34.165 -4.008 571 HH11 ARG 75 HH11 ARG 75 -23.633 -31.827 -2.105 572 HH12 ARG 75 HH12 ARG 75 -23.691 -32.835 -0.688 573 HH21 ARG 75 HH21 ARG 75 -21.921 -35.482 -2.159 574 HH22 ARG 75 HH22 ARG 75 -22.719 -34.920 -0.723 575 HA PRO 76 HA PRO 76 -24.198 -31.258 -8.920 576 HB2 PRO 76 HB3 PRO 76 -26.834 -31.306 -10.206 577 HB3 PRO 76 HB2 PRO 76 -25.413 -32.299 -10.538 578 HG2 PRO 76 HG3 PRO 76 -27.632 -33.302 -9.379 579 HG3 PRO 76 HG2 PRO 76 -26.007 -33.899 -8.995 580 HD2 PRO 76 HD3 PRO 76 -27.751 -32.020 -7.449 581 HD3 PRO 76 HD2 PRO 76 -26.716 -33.339 -6.863 582 H HIS 77 H HIS 77 -23.645 -29.217 -9.260 583 HA HIS 77 HA HIS 77 -25.318 -27.053 -8.436 584 HB2 HIS 77 HB3 HIS 77 -22.731 -27.210 -8.428 585 HB3 HIS 77 HB2 HIS 77 -22.847 -26.748 -10.125 586 HD2 HIS 77 HD2 HIS 77 -22.559 -25.128 -6.767 587 HE1 HIS 77 HE1 HIS 77 -24.249 -22.238 -9.380 588 HE2 HIS 77 HE2 HIS 77 -23.368 -22.668 -7.028 589 H LYS 78 H LYS 78 -26.369 -25.520 -9.693 590 HA LYS 78 HA LYS 78 -26.667 -26.220 -12.535 591 HB2 LYS 78 HB3 LYS 78 -28.648 -26.879 -11.176 592 HB3 LYS 78 HB2 LYS 78 -28.857 -25.199 -10.717 593 HG2 LYS 78 HG3 LYS 78 -30.349 -25.397 -12.438 594 HG3 LYS 78 HG2 LYS 78 -28.923 -24.777 -13.273 595 HD2 LYS 78 HD3 LYS 78 -29.411 -26.499 -14.668 596 HD3 LYS 78 HD2 LYS 78 -28.420 -27.379 -13.501 597 HE2 LYS 78 HE3 LYS 78 -31.424 -27.178 -13.445 598 HE3 LYS 78 HE2 LYS 78 -30.511 -28.562 -14.041 599 HZ1 LYS 78 HZ1 LYS 78 -30.567 -27.537 -11.249 600 HZ2 LYS 78 HZ2 LYS 78 -29.565 -28.792 -11.788 601 HZ3 LYS 78 HZ3 LYS 78 -31.249 -28.983 -11.817 602 H VAL 79 H VAL 79 -25.858 -24.657 -13.738 603 HA VAL 79 HA VAL 79 -26.426 -21.859 -13.000 604 HB VAL 79 HB VAL 79 -23.877 -22.939 -14.215 605 HG11 VAL 79 HG11 VAL 79 -23.074 -20.625 -14.205 606 HG12 VAL 79 HG12 VAL 79 -24.667 -20.081 -13.678 607 HG13 VAL 79 HG13 VAL 79 -24.469 -20.824 -15.266 608 HG21 VAL 79 HG21 VAL 79 -23.953 -23.283 -11.843 609 HG22 VAL 79 HG22 VAL 79 -24.411 -21.597 -11.583 610 HG23 VAL 79 HG23 VAL 79 -22.813 -21.990 -12.218 611 H ASP 80 H ASP 80 -27.592 -20.851 -14.501 612 HA ASP 80 HA ASP 80 -28.635 -20.311 -16.434 613 HB2 ASP 80 HB3 ASP 80 -26.024 -21.347 -17.423 614 HB3 ASP 80 HB2 ASP 80 -27.316 -21.135 -18.595 615 H GLY 81 H GLY 81 -29.062 -22.958 -15.124 616 HA2 GLY 81 HA3 GLY 81 -30.543 -24.701 -15.548 617 HA3 GLY 81 HA2 GLY 81 -30.661 -24.157 -17.217 618 H ARG 82 H ARG 82 -27.498 -24.504 -16.094 619 HA ARG 82 HA ARG 82 -27.223 -27.082 -17.493 620 HB2 ARG 82 HB3 ARG 82 -26.174 -25.218 -18.694 621 HB3 ARG 82 HB2 ARG 82 -25.268 -24.783 -17.254 622 HG2 ARG 82 HG3 ARG 82 -23.840 -25.935 -18.808 623 HG3 ARG 82 HG2 ARG 82 -24.083 -26.934 -17.376 624 HD2 ARG 82 HD3 ARG 82 -24.215 -28.260 -19.419 625 HD3 ARG 82 HD2 ARG 82 -25.755 -28.248 -18.562 626 HE ARG 82 HE ARG 82 -25.813 -26.183 -20.438 627 HH11 ARG 82 HH11 ARG 82 -25.572 -29.676 -20.412 628 HH12 ARG 82 HH12 ARG 82 -26.422 -29.879 -21.917 629 HH21 ARG 82 HH21 ARG 82 -26.958 -26.435 -22.410 630 HH22 ARG 82 HH22 ARG 82 -27.226 -28.030 -23.041 631 H VAL 83 H VAL 83 -26.421 -28.729 -16.336 632 HA VAL 83 HA VAL 83 -25.694 -28.342 -13.584 633 HB VAL 83 HB VAL 83 -25.461 -30.835 -15.284 634 HG11 VAL 83 HG11 VAL 83 -25.404 -32.034 -13.154 635 HG12 VAL 83 HG12 VAL 83 -25.426 -30.497 -12.287 636 HG13 VAL 83 HG13 VAL 83 -24.045 -30.919 -13.303 637 HG21 VAL 83 HG21 VAL 83 -27.756 -30.022 -15.173 638 HG22 VAL 83 HG22 VAL 83 -27.657 -29.954 -13.414 639 HG23 VAL 83 HG23 VAL 83 -27.571 -31.509 -14.242 640 H VAL 84 H VAL 84 -23.800 -27.413 -13.131 641 HA VAL 84 HA VAL 84 -21.492 -27.953 -14.849 642 HB VAL 84 HB VAL 84 -20.394 -26.084 -13.780 643 HG11 VAL 84 HG11 VAL 84 -21.884 -25.569 -15.623 644 HG12 VAL 84 HG12 VAL 84 -21.900 -24.264 -14.437 645 HG13 VAL 84 HG13 VAL 84 -23.242 -25.409 -14.509 646 HG21 VAL 84 HG21 VAL 84 -22.834 -25.852 -12.017 647 HG22 VAL 84 HG22 VAL 84 -21.462 -24.742 -12.048 648 HG23 VAL 84 HG23 VAL 84 -21.238 -26.404 -11.505 649 H GLU 85 H GLU 85 -19.347 -27.875 -13.454 650 HA GLU 85 HA GLU 85 -19.680 -29.561 -11.078 651 HB2 GLU 85 HB3 GLU 85 -19.123 -31.005 -13.018 652 HB3 GLU 85 HB2 GLU 85 -17.655 -30.073 -13.269 653 HG2 GLU 85 HG3 GLU 85 -16.812 -30.779 -11.103 654 HG3 GLU 85 HG2 GLU 85 -18.301 -31.675 -10.803 655 HA PRO 86 HA PRO 86 -16.833 -26.202 -9.985 656 HB2 PRO 86 HB3 PRO 86 -17.773 -25.835 -7.489 657 HB3 PRO 86 HB2 PRO 86 -18.572 -25.157 -8.910 658 HG2 PRO 86 HG3 PRO 86 -19.312 -27.524 -7.265 659 HG3 PRO 86 HG2 PRO 86 -20.357 -26.356 -8.090 660 HD2 PRO 86 HD3 PRO 86 -19.705 -28.904 -9.021 661 HD3 PRO 86 HD2 PRO 86 -20.381 -27.586 -9.997 662 H LYS 87 H LYS 87 -14.839 -26.793 -9.489 663 HA LYS 87 HA LYS 87 -14.395 -28.631 -7.234 664 HB2 LYS 87 HB3 LYS 87 -13.067 -28.778 -9.947 665 HB3 LYS 87 HB2 LYS 87 -12.592 -29.729 -8.546 666 HG2 LYS 87 HG3 LYS 87 -14.718 -30.857 -8.532 667 HG3 LYS 87 HG2 LYS 87 -15.311 -29.826 -9.834 668 HD2 LYS 87 HD3 LYS 87 -12.994 -31.745 -10.039 669 HD3 LYS 87 HD2 LYS 87 -14.626 -32.043 -10.640 670 HE2 LYS 87 HE3 LYS 87 -14.347 -29.944 -12.030 671 HE3 LYS 87 HE2 LYS 87 -12.640 -29.991 -11.590 672 HZ1 LYS 87 HZ1 LYS 87 -12.525 -32.227 -12.557 673 HZ2 LYS 87 HZ2 LYS 87 -12.975 -31.065 -13.702 674 HZ3 LYS 87 HZ3 LYS 87 -14.146 -32.101 -13.039 675 H ARG 88 H ARG 88 -12.128 -28.555 -6.446 676 HA ARG 88 HA ARG 88 -11.231 -25.945 -5.931 677 HB2 ARG 88 HB3 ARG 88 -10.592 -28.512 -5.074 678 HB3 ARG 88 HB2 ARG 88 -9.122 -27.971 -5.866 679 HG2 ARG 88 HG3 ARG 88 -8.841 -27.392 -3.627 680 HG3 ARG 88 HG2 ARG 88 -9.310 -25.884 -4.416 681 HD2 ARG 88 HD3 ARG 88 -11.424 -25.902 -3.487 682 HD3 ARG 88 HD2 ARG 88 -11.401 -27.644 -3.217 683 HE ARG 88 HE ARG 88 -9.438 -26.269 -1.660 684 HH11 ARG 88 HH11 ARG 88 -12.824 -27.147 -1.795 685 HH12 ARG 88 HH12 ARG 88 -13.038 -27.119 -0.069 686 HH21 ARG 88 HH21 ARG 88 -9.701 -26.250 0.604 687 HH22 ARG 88 HH22 ARG 88 -11.257 -26.594 1.300 688 H ALA 89 H ALA 89 -10.252 -24.543 -7.258 689 HA ALA 89 HA ALA 89 -9.466 -25.409 -9.874 690 HB1 ALA 89 HB1 ALA 89 -9.134 -23.058 -10.354 691 HB2 ALA 89 HB2 ALA 89 -9.268 -22.667 -8.639 692 HB3 ALA 89 HB3 ALA 89 -10.663 -23.302 -9.510 693 H VAL 90 H VAL 90 -7.643 -26.500 -10.031 694 HA VAL 90 HA VAL 90 -5.311 -26.274 -8.544 695 HB VAL 90 HB VAL 90 -5.565 -27.099 -11.439 696 HG11 VAL 90 HG11 VAL 90 -3.539 -28.417 -11.046 697 HG12 VAL 90 HG12 VAL 90 -3.422 -27.747 -9.419 698 HG13 VAL 90 HG13 VAL 90 -3.249 -26.692 -10.822 699 HG21 VAL 90 HG21 VAL 90 -5.743 -28.757 -8.926 700 HG22 VAL 90 HG22 VAL 90 -5.739 -29.387 -10.574 701 HG23 VAL 90 HG23 VAL 90 -7.070 -28.372 -10.022 702 H SER 91 H SER 91 -3.411 -25.081 -8.761 703 HA SER 91 HA SER 91 -3.586 -22.464 -9.548 704 HB2 SER 91 HB3 SER 91 -1.095 -24.179 -9.459 705 HB3 SER 91 HB2 SER 91 -1.125 -22.415 -9.444 706 HG SER 91 HG SER 91 -0.964 -23.255 -7.335 707 H ARG 92 H ARG 92 -3.393 -21.334 -11.383 708 HA ARG 92 HA ARG 92 -3.585 -22.630 -13.885 709 HB2 ARG 92 HB3 ARG 92 -3.480 -20.374 -14.850 710 HB3 ARG 92 HB2 ARG 92 -4.580 -20.432 -13.479 711 HG2 ARG 92 HG3 ARG 92 -2.729 -19.520 -12.067 712 HG3 ARG 92 HG2 ARG 92 -1.802 -19.292 -13.550 713 HD2 ARG 92 HD3 ARG 92 -3.485 -17.787 -14.413 714 HD3 ARG 92 HD2 ARG 92 -4.505 -18.076 -13.002 715 HE ARG 92 HE ARG 92 -1.921 -16.650 -12.981 716 HH11 ARG 92 HH11 ARG 92 -5.045 -17.339 -11.571 717 HH12 ARG 92 HH12 ARG 92 -4.855 -16.223 -10.253 718 HH21 ARG 92 HH21 ARG 92 -1.667 -15.154 -11.269 719 HH22 ARG 92 HH22 ARG 92 -2.939 -14.956 -10.104 720 H GLU 93 H GLU 93 -0.897 -21.725 -11.987 721 HA GLU 93 HA GLU 93 1.093 -21.500 -13.967 722 HB2 GLU 93 HB3 GLU 93 1.272 -22.517 -11.124 723 HB3 GLU 93 HB2 GLU 93 2.663 -22.199 -12.146 724 HG2 GLU 93 HG3 GLU 93 2.425 -20.349 -10.705 725 HG3 GLU 93 HG2 GLU 93 1.885 -19.821 -12.297 726 H ASP 94 H ASP 94 -0.247 -24.246 -12.215 727 HA ASP 94 HA ASP 94 1.547 -26.189 -13.238 728 HB2 ASP 94 HB3 ASP 94 -1.154 -26.391 -11.913 729 HB3 ASP 94 HB2 ASP 94 -0.257 -27.809 -12.440 730 H SER 95 H SER 95 -1.724 -25.195 -14.142 731 HA SER 95 HA SER 95 -1.555 -26.995 -16.464 732 HB2 SER 95 HB3 SER 95 -4.043 -25.870 -15.165 733 HB3 SER 95 HB2 SER 95 -3.972 -27.100 -16.428 734 HG SER 95 HG SER 95 -2.440 -27.855 -14.369 735 H GLN 96 H GLN 96 -0.718 -25.743 -18.060 736 HA GLN 96 HA GLN 96 -1.768 -23.075 -18.553 737 HB2 GLN 96 HB3 GLN 96 0.215 -24.738 -20.117 738 HB3 GLN 96 HB2 GLN 96 -0.163 -23.049 -20.422 739 HG2 GLN 96 HG3 GLN 96 0.800 -22.379 -18.357 740 HG3 GLN 96 HG2 GLN 96 0.967 -24.053 -17.827 741 HE21 GLN 96 HE21 GLN 96 2.553 -25.346 -18.750 742 HE22 GLN 96 HE22 GLN 96 3.910 -24.673 -19.591 743 H ARG 97 H ARG 97 -2.241 -26.313 -19.626 744 HA ARG 97 HA ARG 97 -4.283 -25.418 -21.488 745 HB2 ARG 97 HB3 ARG 97 -3.383 -27.343 -23.048 746 HB3 ARG 97 HB2 ARG 97 -2.741 -25.714 -23.148 747 HG2 ARG 97 HG3 ARG 97 -0.835 -26.989 -23.206 748 HG3 ARG 97 HG2 ARG 97 -0.944 -26.582 -21.496 749 HD2 ARG 97 HD3 ARG 97 -2.121 -29.126 -22.556 750 HD3 ARG 97 HD2 ARG 97 -0.403 -29.012 -22.187 751 HE ARG 97 HE ARG 97 -2.587 -28.675 -20.224 752 HH11 ARG 97 HH11 ARG 97 0.737 -29.478 -21.023 753 HH12 ARG 97 HH12 ARG 97 1.119 -30.039 -19.420 754 HH21 ARG 97 HH21 ARG 97 -2.092 -29.422 -18.127 755 HH22 ARG 97 HH22 ARG 97 -0.490 -30.008 -17.769 756 H5' U 1 H5' U 1 -17.219 -29.518 -20.229 757 H5'' U 1 H5'' U 1 -18.207 -28.092 -20.581 758 H4' U 1 H4' U 1 -16.526 -29.737 -22.359 759 H3' U 1 H3' U 1 -16.142 -27.224 -21.716 760 H2' U 1 H2' U 1 -18.352 -26.378 -22.196 761 HO2' U 1 HO2' U 1 -16.482 -25.633 -23.825 762 H1' U 1 H1' U 1 -18.452 -27.829 -24.866 763 H3 U 1 H3 U 1 -22.889 -27.950 -25.266 764 H5 U 1 H5 U 1 -22.320 -26.479 -21.378 765 H6 U 1 H6 U 1 -19.964 -26.878 -21.650 766 HO5' U 1 HO5' U 1 -18.830 -30.803 -21.188 767 H5' U 2 H5' U 2 -14.643 -28.933 -20.714 768 H5'' U 2 H5'' U 2 -15.466 -27.394 -20.392 769 H4' U 2 H4' U 2 -13.129 -26.616 -19.590 770 H3' U 2 H3' U 2 -12.144 -29.024 -20.233 771 H2' U 2 H2' U 2 -13.478 -30.406 -18.809 772 HO2' U 2 HO2' U 2 -11.133 -29.580 -17.638 773 H1' U 2 H1' U 2 -13.417 -28.352 -16.558 774 H3 U 2 H3 U 2 -16.291 -30.991 -14.360 775 H5 U 2 H5 U 2 -18.020 -30.643 -18.164 776 H6 U 2 H6 U 2 -16.059 -29.436 -18.863 777 H5' A 3 H5' A 3 -10.900 -25.945 -17.929 778 H5'' A 3 H5'' A 3 -11.231 -24.570 -18.996 779 H4' A 3 H4' A 3 -9.555 -23.409 -18.140 780 H3' A 3 H3' A 3 -7.921 -24.894 -19.577 781 H2' A 3 H2' A 3 -8.097 -26.867 -18.095 782 HO2' A 3 HO2' A 3 -5.821 -26.060 -18.509 783 H1' A 3 H1' A 3 -7.448 -24.888 -15.828 784 H8 A 3 H8 A 3 -8.519 -28.397 -16.753 785 H61 A 3 H61 A 3 -9.392 -30.036 -12.259 786 H62 A 3 H62 A 3 -9.479 -29.256 -10.693 787 H2 A 3 H2 A 3 -8.702 -24.883 -11.396 788 H5' G 4 H5' G 4 -8.454 -22.198 -18.979 789 H5'' G 4 H5'' G 4 -8.570 -21.190 -20.435 790 H4' G 4 H4' G 4 -8.115 -19.416 -19.245 791 H3' G 4 H3' G 4 -5.497 -20.542 -19.353 792 H2' G 4 H2' G 4 -5.288 -20.862 -17.010 793 HO2' G 4 HO2' G 4 -4.447 -18.519 -17.698 794 H1' G 4 H1' G 4 -7.446 -18.690 -16.668 795 H8 G 4 H8 G 4 -8.012 -18.434 -14.239 796 H1 G 4 H1 G 4 -6.341 -24.477 -12.893 797 H21 G 4 H21 G 4 -5.447 -24.646 -16.240 798 H22 G 4 H22 G 4 -5.563 -25.465 -14.699 799 H5' G 5 H5' G 5 -5.944 -15.417 -19.909 800 H5'' G 5 H5'' G 5 -6.695 -16.486 -18.709 801 H4' G 5 H4' G 5 -8.331 -14.687 -20.457 802 H3' G 5 H3' G 5 -6.687 -13.787 -18.172 803 H2' G 5 H2' G 5 -8.520 -12.815 -16.994 804 HO2' G 5 HO2' G 5 -9.981 -11.871 -18.200 805 H1' G 5 H1' G 5 -10.344 -14.841 -17.333 806 H8 G 5 H8 G 5 -7.505 -17.014 -17.238 807 H1 G 5 H1 G 5 -8.477 -14.293 -11.508 808 H21 G 5 H21 G 5 -10.463 -12.053 -13.257 809 H22 G 5 H22 G 5 -9.814 -12.560 -11.714 810 H5' U 6 H5' U 6 -5.220 -13.784 -21.392 811 H5'' U 6 H5'' U 6 -5.705 -14.314 -19.770 812 H4' U 6 H4' U 6 -2.988 -14.208 -21.014 813 H3' U 6 H3' U 6 -4.535 -16.371 -20.794 814 H2' U 6 H2' U 6 -4.887 -16.321 -18.414 815 HO2' U 6 HO2' U 6 -2.461 -17.502 -17.960 816 H1' U 6 H1' U 6 -1.954 -15.579 -17.956 817 H3 U 6 H3 U 6 -2.422 -13.971 -13.813 818 H5 U 6 H5 U 6 -6.395 -14.412 -15.103 819 H6 U 6 H6 U 6 -5.543 -15.108 -17.239 820 H5' C 7 H5' C 7 0.953 -16.622 -22.705 821 H5'' C 7 H5'' C 7 -0.033 -17.297 -21.395 822 H4' C 7 H4' C 7 1.544 -15.444 -20.767 823 H3' C 7 H3' C 7 -1.374 -15.377 -20.064 824 HO3' C 7 HO3' C 7 0.084 -16.808 -19.089 825 H2' C 7 H2' C 7 -1.090 -13.233 -19.072 826 HO2' C 7 HO2' C 7 1.678 -13.877 -19.200 827 H1' C 7 H1' C 7 0.680 -12.202 -21.007 828 H41 C 7 H41 C 7 -5.409 -11.371 -23.404 829 H42 C 7 H42 C 7 -5.118 -9.964 -22.405 830 H5 C 7 H5 C 7 -3.870 -13.246 -23.513 831 H6 C 7 H6 C 7 -1.758 -14.138 -22.686 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 4.330 -3.257 13.115 2 H2 ALA 1 H2 ALA 1 2.969 -3.453 12.120 3 H3 ALA 1 H3 ALA 1 4.122 -2.260 11.759 4 HA ALA 1 HA ALA 1 5.769 -3.893 11.269 5 HB1 ALA 1 HB1 ALA 1 5.053 -5.558 12.913 6 HB2 ALA 1 HB2 ALA 1 5.237 -6.269 11.310 7 HB3 ALA 1 HB3 ALA 1 3.628 -5.910 11.934 8 H SER 2 H SER 2 5.669 -5.384 9.256 9 HA SER 2 HA SER 2 3.844 -4.118 7.373 10 HB2 SER 2 HB3 SER 2 6.276 -4.345 6.839 11 HB3 SER 2 HB2 SER 2 6.071 -6.096 6.829 12 HG SER 2 HG SER 2 4.349 -4.573 5.239 13 H LYS 3 H LYS 3 1.938 -5.002 7.027 14 HA LYS 3 HA LYS 3 1.543 -7.853 7.533 15 HB2 LYS 3 HB3 LYS 3 -0.846 -7.357 7.402 16 HB3 LYS 3 HB2 LYS 3 -0.057 -6.280 8.545 17 HG2 LYS 3 HG3 LYS 3 -0.084 -4.481 6.941 18 HG3 LYS 3 HG2 LYS 3 -0.749 -5.551 5.706 19 HD2 LYS 3 HD3 LYS 3 -2.759 -5.868 7.088 20 HD3 LYS 3 HD2 LYS 3 -2.090 -4.761 8.290 21 HE2 LYS 3 HE3 LYS 3 -3.694 -3.620 6.857 22 HE3 LYS 3 HE2 LYS 3 -2.073 -2.966 6.631 23 HZ1 LYS 3 HZ1 LYS 3 -3.206 -3.267 4.526 24 HZ2 LYS 3 HZ2 LYS 3 -3.417 -4.919 4.835 25 HZ3 LYS 3 HZ3 LYS 3 -1.854 -4.286 4.617 26 H SER 4 H SER 4 -0.296 -8.702 5.900 27 HA SER 4 HA SER 4 0.907 -8.532 3.269 28 HB2 SER 4 HB3 SER 4 -1.443 -10.162 4.263 29 HB3 SER 4 HB2 SER 4 -0.644 -10.351 2.702 30 HG SER 4 HG SER 4 0.601 -10.688 5.242 31 H GLU 5 H GLU 5 0.320 -6.944 1.940 32 HA GLU 5 HA GLU 5 -2.048 -5.409 2.303 33 HB2 GLU 5 HB3 GLU 5 -0.161 -5.539 -0.057 34 HB3 GLU 5 HB2 GLU 5 -1.398 -4.313 0.188 35 HG2 GLU 5 HG3 GLU 5 1.014 -4.802 1.918 36 HG3 GLU 5 HG2 GLU 5 0.757 -3.449 0.818 37 H SER 6 H SER 6 -4.028 -5.838 1.640 38 HA SER 6 HA SER 6 -5.794 -7.040 0.883 39 HB2 SER 6 HB3 SER 6 -3.917 -7.846 -1.360 40 HB3 SER 6 HB2 SER 6 -5.656 -8.144 -1.334 41 HG SER 6 HG SER 6 -4.257 -5.717 -1.612 42 HA PRO 7 HA PRO 7 -5.333 -10.670 3.305 43 HB2 PRO 7 HB3 PRO 7 -7.309 -12.155 1.900 44 HB3 PRO 7 HB2 PRO 7 -7.516 -11.242 3.395 45 HG2 PRO 7 HG3 PRO 7 -8.143 -10.466 0.603 46 HG3 PRO 7 HG2 PRO 7 -8.914 -9.956 2.115 47 HD2 PRO 7 HD3 PRO 7 -7.303 -8.311 0.739 48 HD3 PRO 7 HD2 PRO 7 -7.319 -8.316 2.517 49 H LYS 8 H LYS 8 -3.441 -11.663 2.884 50 HA LYS 8 HA LYS 8 -2.913 -12.782 0.276 51 HB2 LYS 8 HB3 LYS 8 -1.213 -11.575 1.793 52 HB3 LYS 8 HB2 LYS 8 -1.130 -13.088 2.681 53 HG2 LYS 8 HG3 LYS 8 -0.699 -13.045 -0.278 54 HG3 LYS 8 HG2 LYS 8 0.601 -12.603 0.825 55 HD2 LYS 8 HD3 LYS 8 -0.923 -15.189 1.045 56 HD3 LYS 8 HD2 LYS 8 0.543 -15.017 0.075 57 HE2 LYS 8 HE3 LYS 8 1.788 -14.335 2.051 58 HE3 LYS 8 HE2 LYS 8 0.324 -14.439 3.027 59 HZ1 LYS 8 HZ1 LYS 8 1.372 -16.773 1.542 60 HZ2 LYS 8 HZ2 LYS 8 0.281 -16.750 2.845 61 HZ3 LYS 8 HZ3 LYS 8 1.919 -16.388 3.102 62 H GLU 9 H GLU 9 -4.350 -14.350 0.076 63 HA GLU 9 HA GLU 9 -3.828 -16.812 1.558 64 HB2 GLU 9 HB3 GLU 9 -5.785 -15.599 2.566 65 HB3 GLU 9 HB2 GLU 9 -6.596 -15.712 1.014 66 HG2 GLU 9 HG3 GLU 9 -6.688 -18.096 1.169 67 HG3 GLU 9 HG2 GLU 9 -5.698 -18.080 2.631 68 HA PRO 10 HA PRO 10 -3.129 -18.164 -2.560 69 HB2 PRO 10 HB3 PRO 10 -4.164 -20.775 -2.098 70 HB3 PRO 10 HB2 PRO 10 -2.476 -20.264 -2.071 71 HG2 PRO 10 HG3 PRO 10 -4.370 -20.659 0.171 72 HG3 PRO 10 HG2 PRO 10 -2.605 -20.815 0.146 73 HD2 PRO 10 HD3 PRO 10 -3.814 -18.732 1.333 74 HD3 PRO 10 HD2 PRO 10 -2.276 -18.538 0.466 75 H GLU 11 H GLU 11 -4.481 -17.231 -3.960 76 HA GLU 11 HA GLU 11 -7.277 -17.430 -3.971 77 HB2 GLU 11 HB3 GLU 11 -5.949 -15.686 -5.151 78 HB3 GLU 11 HB2 GLU 11 -5.453 -16.898 -6.323 79 HG2 GLU 11 HG3 GLU 11 -7.717 -17.181 -7.069 80 HG3 GLU 11 HG2 GLU 11 -8.304 -16.098 -5.807 81 H GLN 12 H GLN 12 -4.816 -19.541 -5.075 82 HA GLN 12 HA GLN 12 -6.022 -21.102 -6.986 83 HB2 GLN 12 HB3 GLN 12 -3.769 -21.527 -6.474 84 HB3 GLN 12 HB2 GLN 12 -4.109 -21.748 -4.763 85 HG2 GLN 12 HG3 GLN 12 -5.295 -23.831 -5.295 86 HG3 GLN 12 HG2 GLN 12 -4.877 -23.614 -6.994 87 HE21 GLN 12 HE21 GLN 12 -3.737 -25.552 -7.002 88 HE22 GLN 12 HE22 GLN 12 -2.180 -25.699 -6.271 89 H LEU 13 H LEU 13 -6.115 -21.778 -3.453 90 HA LEU 13 HA LEU 13 -7.982 -23.917 -3.966 91 HB2 LEU 13 HB3 LEU 13 -7.459 -24.735 -1.925 92 HB3 LEU 13 HB2 LEU 13 -6.051 -23.719 -2.154 93 HG LEU 13 HG LEU 13 -8.469 -22.733 -0.661 94 HD11 LEU 13 HD11 LEU 13 -7.745 -24.801 0.407 95 HD12 LEU 13 HD12 LEU 13 -7.349 -23.399 1.404 96 HD13 LEU 13 HD13 LEU 13 -6.088 -24.199 0.464 97 HD21 LEU 13 HD21 LEU 13 -5.556 -21.967 -0.593 98 HD22 LEU 13 HD22 LEU 13 -6.842 -21.237 0.366 99 HD23 LEU 13 HD23 LEU 13 -6.844 -21.064 -1.388 100 H ARG 14 H ARG 14 -8.287 -20.640 -3.510 101 HA ARG 14 HA ARG 14 -10.941 -20.840 -2.291 102 HB2 ARG 14 HB3 ARG 14 -9.510 -18.361 -3.262 103 HB3 ARG 14 HB2 ARG 14 -10.946 -18.424 -2.251 104 HG2 ARG 14 HG3 ARG 14 -9.518 -19.630 -0.546 105 HG3 ARG 14 HG2 ARG 14 -8.131 -19.154 -1.529 106 HD2 ARG 14 HD3 ARG 14 -10.133 -17.352 -0.192 107 HD3 ARG 14 HD2 ARG 14 -8.428 -17.535 0.209 108 HE ARG 14 HE ARG 14 -8.761 -16.688 -2.480 109 HH11 ARG 14 HH11 ARG 14 -8.829 -15.591 0.824 110 HH12 ARG 14 HH12 ARG 14 -8.543 -13.926 0.425 111 HH21 ARG 14 HH21 ARG 14 -8.356 -14.492 -3.038 112 HH22 ARG 14 HH22 ARG 14 -8.219 -13.305 -1.776 113 H LYS 15 H LYS 15 -9.476 -20.948 -5.280 114 HA LYS 15 HA LYS 15 -11.766 -19.843 -6.706 115 HB2 LYS 15 HB3 LYS 15 -9.349 -19.364 -7.371 116 HB3 LYS 15 HB2 LYS 15 -9.276 -21.032 -7.921 117 HG2 LYS 15 HG3 LYS 15 -11.152 -20.569 -9.460 118 HG3 LYS 15 HG2 LYS 15 -11.115 -18.881 -8.949 119 HD2 LYS 15 HD3 LYS 15 -8.900 -20.400 -10.322 120 HD3 LYS 15 HD2 LYS 15 -9.905 -19.135 -11.029 121 HE2 LYS 15 HE3 LYS 15 -8.055 -18.749 -8.682 122 HE3 LYS 15 HE2 LYS 15 -7.648 -18.359 -10.350 123 HZ1 LYS 15 HZ1 LYS 15 -9.835 -17.130 -8.751 124 HZ2 LYS 15 HZ2 LYS 15 -9.486 -16.771 -10.370 125 HZ3 LYS 15 HZ3 LYS 15 -8.359 -16.397 -9.161 126 H LEU 16 H LEU 16 -13.138 -21.039 -7.858 127 HA LEU 16 HA LEU 16 -12.930 -23.960 -7.599 128 HB2 LEU 16 HB3 LEU 16 -14.891 -22.332 -6.720 129 HB3 LEU 16 HB2 LEU 16 -15.470 -22.627 -8.345 130 HG LEU 16 HG LEU 16 -15.617 -24.991 -7.943 131 HD11 LEU 16 HD11 LEU 16 -15.116 -25.888 -5.672 132 HD12 LEU 16 HD12 LEU 16 -14.353 -24.344 -5.289 133 HD13 LEU 16 HD13 LEU 16 -13.693 -25.360 -6.570 134 HD21 LEU 16 HD21 LEU 16 -16.763 -23.396 -5.654 135 HD22 LEU 16 HD22 LEU 16 -17.294 -25.003 -6.151 136 HD23 LEU 16 HD23 LEU 16 -17.504 -23.628 -7.238 137 H PHE 17 H PHE 17 -12.680 -25.099 -9.392 138 HA PHE 17 HA PHE 17 -12.668 -23.779 -11.975 139 HB2 PHE 17 HB3 PHE 17 -10.865 -25.340 -11.443 140 HB3 PHE 17 HB2 PHE 17 -12.030 -26.628 -11.164 141 HD1 PHE 17 HD1 PHE 17 -11.781 -28.234 -12.778 142 HD2 PHE 17 HD2 PHE 17 -11.641 -24.139 -13.918 143 HE1 PHE 17 HE1 PHE 17 -11.606 -28.901 -15.139 144 HE2 PHE 17 HE2 PHE 17 -11.467 -24.797 -16.281 145 HZ PHE 17 HZ PHE 17 -11.449 -27.181 -16.894 146 H ILE 18 H ILE 18 -14.529 -23.528 -12.998 147 HA ILE 18 HA ILE 18 -16.677 -25.483 -12.522 148 HB ILE 18 HB ILE 18 -17.003 -22.718 -13.677 149 HG12 ILE 18 HG12 ILE 18 -16.048 -22.406 -11.489 150 HG13 ILE 18 HG13 ILE 18 -17.770 -22.052 -11.393 151 HG21 ILE 18 HG21 ILE 18 -18.830 -24.256 -14.110 152 HG22 ILE 18 HG22 ILE 18 -19.334 -23.004 -12.974 153 HG23 ILE 18 HG23 ILE 18 -18.952 -24.623 -12.390 154 HD11 ILE 18 HD11 ILE 18 -18.170 -24.243 -10.409 155 HD12 ILE 18 HD12 ILE 18 -17.009 -23.311 -9.464 156 HD13 ILE 18 HD13 ILE 18 -16.447 -24.609 -10.518 157 H GLY 19 H GLY 19 -16.541 -26.989 -14.111 158 HA2 GLY 19 HA3 GLY 19 -16.358 -25.955 -16.871 159 HA3 GLY 19 HA2 GLY 19 -15.653 -27.487 -16.370 160 H GLY 20 H GLY 20 -17.508 -27.119 -18.493 161 HA2 GLY 20 HA3 GLY 20 -19.154 -28.554 -19.297 162 HA3 GLY 20 HA2 GLY 20 -19.413 -29.134 -17.657 163 H LEU 21 H LEU 21 -19.407 -25.742 -18.423 164 HA LEU 21 HA LEU 21 -22.211 -25.651 -17.625 165 HB2 LEU 21 HB3 LEU 21 -21.773 -23.154 -17.459 166 HB3 LEU 21 HB2 LEU 21 -20.989 -24.189 -16.285 167 HG LEU 21 HG LEU 21 -18.936 -24.050 -17.864 168 HD11 LEU 21 HD11 LEU 21 -20.088 -23.010 -19.749 169 HD12 LEU 21 HD12 LEU 21 -18.784 -21.988 -19.143 170 HD13 LEU 21 HD13 LEU 21 -20.458 -21.608 -18.748 171 HD21 LEU 21 HD21 LEU 21 -19.027 -23.080 -15.637 172 HD22 LEU 21 HD22 LEU 21 -19.861 -21.664 -16.274 173 HD23 LEU 21 HD23 LEU 21 -18.200 -21.999 -16.757 174 H SER 22 H SER 22 -23.236 -23.508 -18.692 175 HA SER 22 HA SER 22 -23.661 -24.367 -21.410 176 HB2 SER 22 HB3 SER 22 -25.601 -23.857 -20.091 177 HB3 SER 22 HB2 SER 22 -24.957 -22.280 -19.646 178 HG SER 22 HG SER 22 -26.306 -21.794 -21.240 179 H PHE 23 H PHE 23 -23.472 -23.025 -23.260 180 HA PHE 23 HA PHE 23 -21.266 -21.199 -23.205 181 HB2 PHE 23 HB3 PHE 23 -23.253 -21.871 -25.383 182 HB3 PHE 23 HB2 PHE 23 -21.872 -20.802 -25.608 183 HD1 PHE 23 HD1 PHE 23 -23.013 -24.209 -25.465 184 HD2 PHE 23 HD2 PHE 23 -19.564 -21.721 -25.345 185 HE1 PHE 23 HE1 PHE 23 -21.595 -26.154 -25.981 186 HE2 PHE 23 HE2 PHE 23 -18.141 -23.660 -25.862 187 HZ PHE 23 HZ PHE 23 -19.157 -25.882 -26.182 188 H GLU 24 H GLU 24 -24.440 -20.918 -22.345 189 HA GLU 24 HA GLU 24 -24.724 -18.109 -23.088 190 HB2 GLU 24 HB3 GLU 24 -26.631 -19.714 -21.394 191 HB3 GLU 24 HB2 GLU 24 -26.978 -18.326 -22.420 192 HG2 GLU 24 HG3 GLU 24 -26.612 -19.651 -24.404 193 HG3 GLU 24 HG2 GLU 24 -26.129 -21.032 -23.427 194 H THR 25 H THR 25 -23.423 -20.005 -20.665 195 HA THR 25 HA THR 25 -23.830 -18.289 -18.415 196 HB THR 25 HB THR 25 -21.633 -20.320 -18.869 197 HG1 THR 25 HG1 THR 25 -24.345 -20.587 -18.297 198 HG21 THR 25 HG21 THR 25 -21.225 -18.809 -16.988 199 HG22 THR 25 HG22 THR 25 -21.587 -20.438 -16.417 200 HG23 THR 25 HG23 THR 25 -22.820 -19.181 -16.332 201 H THR 26 H THR 26 -23.022 -16.287 -18.380 202 HA THR 26 HA THR 26 -20.278 -15.891 -19.352 203 HB THR 26 HB THR 26 -21.880 -14.688 -20.767 204 HG1 THR 26 HG1 THR 26 -19.986 -13.604 -20.643 205 HG21 THR 26 HG21 THR 26 -23.687 -14.358 -19.191 206 HG22 THR 26 HG22 THR 26 -23.176 -12.804 -19.850 207 HG23 THR 26 HG23 THR 26 -22.682 -13.278 -18.223 208 H ASP 27 H ASP 27 -19.586 -13.563 -18.234 209 HA ASP 27 HA ASP 27 -18.731 -14.290 -15.722 210 HB2 ASP 27 HB3 ASP 27 -17.621 -12.513 -16.821 211 HB3 ASP 27 HB2 ASP 27 -19.097 -11.565 -16.949 212 H GLU 28 H GLU 28 -21.468 -12.132 -16.447 213 HA GLU 28 HA GLU 28 -22.143 -11.722 -13.735 214 HB2 GLU 28 HB3 GLU 28 -24.246 -10.793 -14.556 215 HB3 GLU 28 HB2 GLU 28 -22.874 -10.187 -15.468 216 HG2 GLU 28 HG3 GLU 28 -23.391 -11.606 -17.320 217 HG3 GLU 28 HG2 GLU 28 -24.652 -12.423 -16.397 218 H SER 29 H SER 29 -23.163 -14.131 -16.094 219 HA SER 29 HA SER 29 -25.265 -15.210 -14.503 220 HB2 SER 29 HB3 SER 29 -23.681 -16.689 -16.611 221 HB3 SER 29 HB2 SER 29 -25.352 -16.967 -16.118 222 HG SER 29 HG SER 29 -25.971 -15.486 -17.464 223 H LEU 30 H LEU 30 -21.842 -15.802 -14.875 224 HA LEU 30 HA LEU 30 -21.736 -18.262 -13.467 225 HB2 LEU 30 HB3 LEU 30 -20.014 -17.241 -15.065 226 HB3 LEU 30 HB2 LEU 30 -19.495 -16.258 -13.716 227 HG LEU 30 HG LEU 30 -18.096 -18.292 -14.180 228 HD11 LEU 30 HD11 LEU 30 -17.836 -18.926 -11.838 229 HD12 LEU 30 HD12 LEU 30 -19.366 -18.137 -11.453 230 HD13 LEU 30 HD13 LEU 30 -17.999 -17.179 -12.021 231 HD21 LEU 30 HD21 LEU 30 -18.936 -20.456 -13.398 232 HD22 LEU 30 HD22 LEU 30 -19.876 -19.837 -14.755 233 HD23 LEU 30 HD23 LEU 30 -20.519 -19.733 -13.117 234 H ARG 31 H ARG 31 -20.966 -14.913 -12.489 235 HA ARG 31 HA ARG 31 -20.325 -15.703 -9.852 236 HB2 ARG 31 HB3 ARG 31 -19.844 -13.509 -9.402 237 HB3 ARG 31 HB2 ARG 31 -19.685 -13.521 -11.149 238 HG2 ARG 31 HG3 ARG 31 -21.920 -12.554 -11.358 239 HG3 ARG 31 HG2 ARG 31 -22.079 -12.573 -9.594 240 HD2 ARG 31 HD3 ARG 31 -19.861 -11.116 -11.019 241 HD3 ARG 31 HD2 ARG 31 -21.407 -10.360 -10.625 242 HE ARG 31 HE ARG 31 -20.759 -11.240 -8.245 243 HH11 ARG 31 HH11 ARG 31 -18.655 -9.723 -10.614 244 HH12 ARG 31 HH12 ARG 31 -17.581 -9.083 -9.409 245 HH21 ARG 31 HH21 ARG 31 -19.348 -10.414 -6.685 246 HH22 ARG 31 HH22 ARG 31 -17.962 -9.473 -7.172 247 H SER 32 H SER 32 -23.319 -14.441 -11.304 248 HA SER 32 HA SER 32 -24.630 -13.986 -8.851 249 HB2 SER 32 HB3 SER 32 -25.803 -14.567 -11.575 250 HB3 SER 32 HB2 SER 32 -26.703 -13.940 -10.193 251 HG SER 32 HG SER 32 -24.944 -12.666 -11.898 252 H HIS 33 H HIS 33 -24.356 -16.852 -10.873 253 HA HIS 33 HA HIS 33 -26.263 -18.333 -9.310 254 HB2 HIS 33 HB3 HIS 33 -24.517 -18.926 -11.643 255 HB3 HIS 33 HB2 HIS 33 -25.069 -20.279 -10.664 256 HD2 HIS 33 HD2 HIS 33 -27.834 -20.739 -10.692 257 HE1 HIS 33 HE1 HIS 33 -28.518 -18.219 -14.021 258 HE2 HIS 33 HE2 HIS 33 -29.573 -19.872 -12.408 259 H PHE 34 H PHE 34 -22.976 -17.537 -8.907 260 HA PHE 34 HA PHE 34 -22.649 -19.812 -7.077 261 HB2 PHE 34 HB3 PHE 34 -20.690 -18.189 -8.631 262 HB3 PHE 34 HB2 PHE 34 -20.170 -18.928 -7.118 263 HD1 PHE 34 HD1 PHE 34 -20.104 -21.344 -6.870 264 HD2 PHE 34 HD2 PHE 34 -21.183 -19.533 -10.565 265 HE1 PHE 34 HE1 PHE 34 -19.774 -23.496 -8.013 266 HE2 PHE 34 HE2 PHE 34 -20.855 -21.683 -11.716 267 HZ PHE 34 HZ PHE 34 -20.157 -23.670 -10.439 268 H GLU 35 H GLU 35 -22.990 -16.374 -7.134 269 HA GLU 35 HA GLU 35 -21.777 -15.893 -4.587 270 HB2 GLU 35 HB3 GLU 35 -23.557 -14.214 -6.335 271 HB3 GLU 35 HB2 GLU 35 -23.018 -13.670 -4.753 272 HG2 GLU 35 HG3 GLU 35 -20.682 -13.955 -5.509 273 HG3 GLU 35 HG2 GLU 35 -21.290 -14.357 -7.114 274 H GLN 36 H GLN 36 -24.124 -17.833 -5.021 275 HA GLN 36 HA GLN 36 -26.117 -16.802 -3.188 276 HB2 GLN 36 HB3 GLN 36 -25.812 -19.374 -4.721 277 HB3 GLN 36 HB2 GLN 36 -27.083 -19.139 -3.529 278 HG2 GLN 36 HG3 GLN 36 -28.028 -17.346 -4.809 279 HG3 GLN 36 HG2 GLN 36 -26.665 -17.371 -5.928 280 HE21 GLN 36 HE21 GLN 36 -26.480 -19.055 -7.398 281 HE22 GLN 36 HE22 GLN 36 -27.815 -20.074 -7.807 282 H TRP 37 H TRP 37 -23.430 -19.031 -3.226 283 HA TRP 37 HA TRP 37 -24.040 -19.866 -0.481 284 HB2 TRP 37 HB3 TRP 37 -22.204 -21.084 -2.555 285 HB3 TRP 37 HB2 TRP 37 -22.368 -21.676 -0.905 286 HD1 TRP 37 HD1 TRP 37 -24.527 -23.079 -0.314 287 HE1 TRP 37 HE1 TRP 37 -26.380 -24.148 -1.733 288 HE3 TRP 37 HE3 TRP 37 -23.586 -20.731 -4.751 289 HZ2 TRP 37 HZ2 TRP 37 -27.322 -24.011 -4.386 290 HZ3 TRP 37 HZ3 TRP 37 -25.011 -21.262 -6.680 291 HH2 TRP 37 HH2 TRP 37 -26.838 -22.866 -6.503 292 H GLY 38 H GLY 38 -22.570 -17.397 -1.744 293 HA2 GLY 38 HA3 GLY 38 -21.028 -16.701 0.411 294 HA3 GLY 38 HA2 GLY 38 -19.929 -17.579 -0.640 295 H THR 39 H THR 39 -18.818 -15.475 -0.583 296 HA THR 39 HA THR 39 -20.003 -13.518 -2.446 297 HB THR 39 HB THR 39 -17.998 -13.191 -0.213 298 HG1 THR 39 HG1 THR 39 -20.685 -12.519 -0.639 299 HG21 THR 39 HG21 THR 39 -18.791 -11.194 -2.332 300 HG22 THR 39 HG22 THR 39 -17.180 -11.861 -2.045 301 HG23 THR 39 HG23 THR 39 -17.919 -10.790 -0.852 302 H LEU 40 H LEU 40 -19.081 -13.455 -4.437 303 HA LEU 40 HA LEU 40 -16.513 -14.775 -4.787 304 HB2 LEU 40 HB3 LEU 40 -18.490 -13.678 -6.785 305 HB3 LEU 40 HB2 LEU 40 -16.922 -14.303 -7.222 306 HG LEU 40 HG LEU 40 -17.486 -16.489 -6.644 307 HD11 LEU 40 HD11 LEU 40 -19.398 -17.246 -5.545 308 HD12 LEU 40 HD12 LEU 40 -20.134 -15.647 -5.570 309 HD13 LEU 40 HD13 LEU 40 -18.723 -15.952 -4.556 310 HD21 LEU 40 HD21 LEU 40 -18.353 -15.745 -8.768 311 HD22 LEU 40 HD22 LEU 40 -19.838 -15.200 -7.988 312 HD23 LEU 40 HD23 LEU 40 -19.446 -16.919 -8.036 313 H THR 41 H THR 41 -14.754 -13.636 -4.508 314 HA THR 41 HA THR 41 -14.714 -10.765 -4.830 315 HB THR 41 HB THR 41 -12.359 -10.942 -4.161 316 HG1 THR 41 HG1 THR 41 -11.739 -12.876 -5.142 317 HG21 THR 41 HG21 THR 41 -14.075 -10.948 -2.409 318 HG22 THR 41 HG22 THR 41 -12.679 -11.918 -1.938 319 HG23 THR 41 HG23 THR 41 -14.156 -12.709 -2.494 320 H ASP 42 H ASP 42 -14.046 -13.585 -6.622 321 HA ASP 42 HA ASP 42 -13.230 -12.022 -8.950 322 HB2 ASP 42 HB3 ASP 42 -11.761 -14.500 -8.006 323 HB3 ASP 42 HB2 ASP 42 -11.454 -13.640 -9.504 324 H CYS 43 H CYS 43 -14.320 -12.694 -10.709 325 HA CYS 43 HA CYS 43 -15.247 -15.462 -10.858 326 HB2 CYS 43 HB3 CYS 43 -17.548 -14.783 -11.373 327 HB3 CYS 43 HB2 CYS 43 -17.085 -14.216 -9.775 328 HG CYS 43 HG CYS 43 -17.378 -12.334 -12.620 329 H VAL 44 H VAL 44 -15.450 -16.190 -13.000 330 HA VAL 44 HA VAL 44 -15.343 -14.373 -15.205 331 HB VAL 44 HB VAL 44 -13.003 -14.248 -14.285 332 HG11 VAL 44 HG11 VAL 44 -12.865 -17.100 -15.251 333 HG12 VAL 44 HG12 VAL 44 -12.769 -16.560 -13.575 334 HG13 VAL 44 HG13 VAL 44 -11.495 -16.128 -14.716 335 HG21 VAL 44 HG21 VAL 44 -13.557 -13.703 -16.629 336 HG22 VAL 44 HG22 VAL 44 -13.208 -15.374 -17.075 337 HG23 VAL 44 HG23 VAL 44 -11.926 -14.342 -16.441 338 H VAL 45 H VAL 45 -15.564 -15.368 -17.184 339 HA VAL 45 HA VAL 45 -15.576 -18.321 -17.229 340 HB VAL 45 HB VAL 45 -17.218 -16.446 -18.958 341 HG11 VAL 45 HG11 VAL 45 -18.320 -18.475 -19.761 342 HG12 VAL 45 HG12 VAL 45 -17.226 -19.454 -18.782 343 HG13 VAL 45 HG13 VAL 45 -16.592 -18.491 -20.117 344 HG21 VAL 45 HG21 VAL 45 -19.171 -17.340 -17.760 345 HG22 VAL 45 HG22 VAL 45 -18.077 -16.465 -16.689 346 HG23 VAL 45 HG23 VAL 45 -18.089 -18.231 -16.687 347 H MET 46 H MET 46 -14.339 -19.252 -18.910 348 HA MET 46 HA MET 46 -12.581 -17.407 -20.288 349 HB2 MET 46 HB3 MET 46 -12.692 -20.428 -20.455 350 HB3 MET 46 HB2 MET 46 -11.481 -19.415 -21.213 351 HG2 MET 46 HG3 MET 46 -11.968 -19.776 -18.277 352 HG3 MET 46 HG2 MET 46 -10.587 -20.353 -19.210 353 HE1 MET 46 HE1 MET 46 -8.975 -19.361 -17.509 354 HE2 MET 46 HE2 MET 46 -10.318 -18.743 -16.539 355 HE3 MET 46 HE3 MET 46 -8.985 -17.674 -16.971 356 H ARG 47 H ARG 47 -12.551 -17.007 -22.472 357 HA ARG 47 HA ARG 47 -15.085 -17.707 -23.802 358 HB2 ARG 47 HB3 ARG 47 -13.393 -15.213 -24.071 359 HB3 ARG 47 HB2 ARG 47 -14.763 -15.584 -25.104 360 HG2 ARG 47 HG3 ARG 47 -15.653 -14.120 -23.556 361 HG3 ARG 47 HG2 ARG 47 -16.111 -15.697 -22.913 362 HD2 ARG 47 HD3 ARG 47 -15.309 -14.285 -21.128 363 HD3 ARG 47 HD2 ARG 47 -14.178 -15.612 -21.392 364 HE ARG 47 HE ARG 47 -13.653 -12.993 -22.620 365 HH11 ARG 47 HH11 ARG 47 -12.840 -15.439 -20.252 366 HH12 ARG 47 HH12 ARG 47 -11.225 -14.844 -19.993 367 HH21 ARG 47 HH21 ARG 47 -11.553 -12.149 -22.224 368 HH22 ARG 47 HH22 ARG 47 -10.507 -12.951 -21.090 369 H ASP 48 H ASP 48 -15.046 -17.946 -26.100 370 HA ASP 48 HA ASP 48 -12.913 -19.408 -27.188 371 HB2 ASP 48 HB3 ASP 48 -15.348 -19.238 -28.033 372 HB3 ASP 48 HB2 ASP 48 -14.833 -17.746 -28.810 373 HA PRO 49 HA PRO 49 -10.028 -16.138 -27.992 374 HB2 PRO 49 HB3 PRO 49 -8.560 -17.334 -29.954 375 HB3 PRO 49 HB2 PRO 49 -8.401 -17.725 -28.238 376 HG2 PRO 49 HG3 PRO 49 -9.921 -19.162 -30.377 377 HG3 PRO 49 HG2 PRO 49 -8.905 -19.828 -29.084 378 HD2 PRO 49 HD3 PRO 49 -11.599 -19.797 -28.931 379 HD3 PRO 49 HD2 PRO 49 -10.567 -19.607 -27.496 380 H ASN 50 H ASN 50 -12.212 -17.378 -30.322 381 HA ASN 50 HA ASN 50 -11.482 -15.286 -32.262 382 HB2 ASN 50 HB3 ASN 50 -13.381 -17.550 -32.830 383 HB3 ASN 50 HB2 ASN 50 -12.423 -16.603 -33.964 384 HD21 ASN 50 HD21 ASN 50 -12.419 -19.177 -31.641 385 HD22 ASN 50 HD22 ASN 50 -10.903 -19.881 -32.128 386 H THR 51 H THR 51 -14.296 -16.845 -30.737 387 HA THR 51 HA THR 51 -16.033 -14.753 -31.743 388 HB THR 51 HB THR 51 -17.866 -16.077 -30.980 389 HG1 THR 51 HG1 THR 51 -17.146 -18.143 -29.789 390 HG21 THR 51 HG21 THR 51 -15.680 -17.933 -31.927 391 HG22 THR 51 HG22 THR 51 -16.699 -16.935 -32.967 392 HG23 THR 51 HG23 THR 51 -17.416 -18.240 -32.023 393 H LYS 52 H LYS 52 -14.554 -15.714 -28.751 394 HA LYS 52 HA LYS 52 -14.416 -14.796 -26.694 395 HB2 LYS 52 HB3 LYS 52 -15.510 -12.343 -28.079 396 HB3 LYS 52 HB2 LYS 52 -14.899 -12.367 -26.432 397 HG2 LYS 52 HG3 LYS 52 -13.317 -12.968 -28.923 398 HG3 LYS 52 HG2 LYS 52 -13.234 -11.493 -27.958 399 HD2 LYS 52 HD3 LYS 52 -12.555 -14.258 -26.958 400 HD3 LYS 52 HD2 LYS 52 -11.376 -13.065 -27.504 401 HE2 LYS 52 HE3 LYS 52 -13.299 -12.688 -25.211 402 HE3 LYS 52 HE2 LYS 52 -11.608 -13.153 -25.044 403 HZ1 LYS 52 HZ1 LYS 52 -12.635 -10.593 -26.157 404 HZ2 LYS 52 HZ2 LYS 52 -11.002 -11.047 -26.139 405 HZ3 LYS 52 HZ3 LYS 52 -11.832 -10.810 -24.679 406 H ARG 53 H ARG 53 -16.890 -16.214 -27.517 407 HA ARG 53 HA ARG 53 -18.849 -14.862 -25.820 408 HB2 ARG 53 HB3 ARG 53 -19.022 -17.007 -27.851 409 HB3 ARG 53 HB2 ARG 53 -20.144 -17.120 -26.502 410 HG2 ARG 53 HG3 ARG 53 -21.189 -15.948 -28.323 411 HG3 ARG 53 HG2 ARG 53 -20.917 -14.831 -26.986 412 HD2 ARG 53 HD3 ARG 53 -18.801 -14.129 -28.159 413 HD3 ARG 53 HD2 ARG 53 -19.348 -15.072 -29.543 414 HE ARG 53 HE ARG 53 -21.310 -13.181 -28.640 415 HH11 ARG 53 HH11 ARG 53 -18.458 -13.594 -30.617 416 HH12 ARG 53 HH12 ARG 53 -18.785 -12.214 -31.619 417 HH21 ARG 53 HH21 ARG 53 -21.730 -11.343 -29.930 418 HH22 ARG 53 HH22 ARG 53 -20.627 -10.913 -31.201 419 H SER 54 H SER 54 -18.036 -18.350 -26.027 420 HA SER 54 HA SER 54 -17.160 -18.350 -23.276 421 HB2 SER 54 HB3 SER 54 -19.613 -18.361 -22.993 422 HB3 SER 54 HB2 SER 54 -19.717 -19.804 -24.000 423 HG SER 54 HG SER 54 -19.481 -19.815 -21.459 424 H ARG 55 H ARG 55 -15.978 -20.131 -22.742 425 HA ARG 55 HA ARG 55 -15.533 -22.074 -24.893 426 HB2 ARG 55 HB3 ARG 55 -13.836 -20.838 -22.851 427 HB3 ARG 55 HB2 ARG 55 -13.603 -22.572 -23.009 428 HG2 ARG 55 HG3 ARG 55 -13.249 -22.265 -25.437 429 HG3 ARG 55 HG2 ARG 55 -13.378 -20.521 -25.202 430 HD2 ARG 55 HD3 ARG 55 -11.040 -21.314 -25.303 431 HD3 ARG 55 HD2 ARG 55 -11.435 -20.522 -23.779 432 HE ARG 55 HE ARG 55 -11.615 -22.776 -22.807 433 HH11 ARG 55 HH11 ARG 55 -9.927 -22.458 -25.848 434 HH12 ARG 55 HH12 ARG 55 -8.868 -23.809 -25.554 435 HH21 ARG 55 HH21 ARG 55 -10.232 -24.552 -22.401 436 HH22 ARG 55 HH22 ARG 55 -9.027 -24.991 -23.572 437 H GLY 56 H GLY 56 -17.591 -21.890 -22.504 438 HA2 GLY 56 HA3 GLY 56 -18.945 -23.591 -21.708 439 HA3 GLY 56 HA2 GLY 56 -17.825 -24.752 -22.392 440 H PHE 57 H PHE 57 -16.458 -22.379 -20.330 441 HA PHE 57 HA PHE 57 -16.939 -23.672 -17.848 442 HB2 PHE 57 HB3 PHE 57 -14.822 -24.650 -17.382 443 HB3 PHE 57 HB2 PHE 57 -15.295 -25.259 -18.963 444 HD1 PHE 57 HD1 PHE 57 -12.752 -23.675 -17.076 445 HD2 PHE 57 HD2 PHE 57 -14.333 -24.042 -21.009 446 HE1 PHE 57 HE1 PHE 57 -10.627 -22.864 -18.005 447 HE2 PHE 57 HE2 PHE 57 -12.206 -23.244 -21.942 448 HZ PHE 57 HZ PHE 57 -10.349 -22.650 -20.441 449 H GLY 58 H GLY 58 -15.691 -22.667 -16.077 450 HA2 GLY 58 HA3 GLY 58 -14.317 -20.191 -16.667 451 HA3 GLY 58 HA2 GLY 58 -15.915 -19.979 -15.963 452 H PHE 59 H PHE 59 -14.577 -18.897 -14.298 453 HA PHE 59 HA PHE 59 -13.789 -20.834 -12.245 454 HB2 PHE 59 HB3 PHE 59 -12.147 -18.476 -13.168 455 HB3 PHE 59 HB2 PHE 59 -11.895 -19.271 -11.620 456 HD1 PHE 59 HD1 PHE 59 -11.174 -21.644 -11.566 457 HD2 PHE 59 HD2 PHE 59 -11.314 -19.391 -15.170 458 HE1 PHE 59 HE1 PHE 59 -9.673 -23.270 -12.637 459 HE2 PHE 59 HE2 PHE 59 -9.817 -21.017 -16.250 460 HZ PHE 59 HZ PHE 59 -8.992 -22.954 -14.981 461 H VAL 60 H VAL 60 -13.874 -20.032 -10.125 462 HA VAL 60 HA VAL 60 -15.178 -17.469 -9.667 463 HB VAL 60 HB VAL 60 -17.139 -18.735 -9.944 464 HG11 VAL 60 HG11 VAL 60 -17.554 -20.886 -8.916 465 HG12 VAL 60 HG12 VAL 60 -15.946 -20.868 -8.193 466 HG13 VAL 60 HG13 VAL 60 -16.124 -20.958 -9.946 467 HG21 VAL 60 HG21 VAL 60 -16.497 -18.736 -7.009 468 HG22 VAL 60 HG22 VAL 60 -18.110 -18.815 -7.720 469 HG23 VAL 60 HG23 VAL 60 -17.113 -17.374 -7.946 470 H THR 61 H THR 61 -14.294 -16.536 -7.959 471 HA THR 61 HA THR 61 -12.913 -18.278 -6.014 472 HB THR 61 HB THR 61 -12.201 -15.406 -6.594 473 HG1 THR 61 HG1 THR 61 -12.005 -17.138 -8.373 474 HG21 THR 61 HG21 THR 61 -10.090 -15.996 -5.541 475 HG22 THR 61 HG22 THR 61 -10.629 -17.663 -5.344 476 HG23 THR 61 HG23 THR 61 -11.430 -16.367 -4.454 477 H TYR 62 H TYR 62 -13.872 -18.314 -4.117 478 HA TYR 62 HA TYR 62 -15.810 -16.290 -3.392 479 HB2 TYR 62 HB3 TYR 62 -14.917 -18.882 -2.139 480 HB3 TYR 62 HB2 TYR 62 -16.006 -17.779 -1.307 481 HD1 TYR 62 HD1 TYR 62 -18.276 -17.491 -2.034 482 HD2 TYR 62 HD2 TYR 62 -15.664 -20.112 -4.132 483 HE1 TYR 62 HE1 TYR 62 -20.207 -18.492 -3.176 484 HE2 TYR 62 HE2 TYR 62 -17.592 -21.121 -5.283 485 HH TYR 62 HH TYR 62 -20.756 -19.742 -5.097 486 H ALA 63 H ALA 63 -15.760 -15.629 -0.969 487 HA ALA 63 HA ALA 63 -13.400 -14.043 -0.641 488 HB1 ALA 63 HB1 ALA 63 -15.680 -14.482 1.289 489 HB2 ALA 63 HB2 ALA 63 -15.649 -13.260 0.014 490 HB3 ALA 63 HB3 ALA 63 -14.493 -13.177 1.344 491 H THR 64 H THR 64 -14.644 -17.001 0.664 492 HA THR 64 HA THR 64 -12.043 -17.613 1.782 493 HB THR 64 HB THR 64 -13.083 -16.663 3.728 494 HG1 THR 64 HG1 THR 64 -11.969 -18.715 3.988 495 HG21 THR 64 HG21 THR 64 -15.221 -17.424 4.609 496 HG22 THR 64 HG22 THR 64 -15.410 -18.516 3.238 497 HG23 THR 64 HG23 THR 64 -15.414 -16.768 2.981 498 H VAL 65 H VAL 65 -11.795 -19.895 2.205 499 HA VAL 65 HA VAL 65 -12.891 -21.446 0.119 500 HB VAL 65 HB VAL 65 -11.705 -23.348 1.146 501 HG11 VAL 65 HG11 VAL 65 -9.447 -22.400 0.964 502 HG12 VAL 65 HG12 VAL 65 -10.133 -20.777 1.043 503 HG13 VAL 65 HG13 VAL 65 -10.508 -21.828 -0.323 504 HG21 VAL 65 HG21 VAL 65 -10.358 -22.987 3.164 505 HG22 VAL 65 HG22 VAL 65 -12.084 -22.824 3.493 506 HG23 VAL 65 HG23 VAL 65 -11.075 -21.384 3.348 507 H GLU 66 H GLU 66 -14.009 -20.813 3.293 508 HA GLU 66 HA GLU 66 -15.568 -23.109 3.759 509 HB2 GLU 66 HB3 GLU 66 -16.004 -20.250 4.638 510 HB3 GLU 66 HB2 GLU 66 -16.866 -21.640 5.284 511 HG2 GLU 66 HG3 GLU 66 -13.882 -21.280 5.416 512 HG3 GLU 66 HG2 GLU 66 -15.001 -20.847 6.708 513 H GLU 67 H GLU 67 -16.083 -20.249 1.824 514 HA GLU 67 HA GLU 67 -18.859 -20.790 1.331 515 HB2 GLU 67 HB3 GLU 67 -17.067 -19.013 -0.314 516 HB3 GLU 67 HB2 GLU 67 -18.810 -18.901 -0.104 517 HG2 GLU 67 HG3 GLU 67 -18.389 -18.391 2.311 518 HG3 GLU 67 HG2 GLU 67 -16.677 -18.288 1.913 519 H VAL 68 H VAL 68 -15.791 -21.377 -0.258 520 HA VAL 68 HA VAL 68 -16.691 -22.544 -2.638 521 HB VAL 68 HB VAL 68 -14.224 -22.983 -0.966 522 HG11 VAL 68 HG11 VAL 68 -14.955 -24.409 -3.521 523 HG12 VAL 68 HG12 VAL 68 -14.572 -25.133 -1.961 524 HG13 VAL 68 HG13 VAL 68 -13.313 -24.314 -2.885 525 HG21 VAL 68 HG21 VAL 68 -14.414 -20.899 -2.226 526 HG22 VAL 68 HG22 VAL 68 -14.656 -21.821 -3.712 527 HG23 VAL 68 HG23 VAL 68 -13.117 -21.915 -2.857 528 H ASP 69 H ASP 69 -16.082 -23.951 0.545 529 HA ASP 69 HA ASP 69 -16.741 -26.605 -0.005 530 HB2 ASP 69 HB3 ASP 69 -15.701 -25.847 2.097 531 HB3 ASP 69 HB2 ASP 69 -17.212 -25.067 2.556 532 H ALA 70 H ALA 70 -18.818 -23.919 1.024 533 HA ALA 70 HA ALA 70 -21.208 -25.359 1.229 534 HB1 ALA 70 HB1 ALA 70 -22.335 -23.203 1.063 535 HB2 ALA 70 HB2 ALA 70 -20.846 -22.459 0.478 536 HB3 ALA 70 HB3 ALA 70 -20.926 -23.100 2.119 537 H ALA 71 H ALA 71 -19.706 -23.748 -1.543 538 HA ALA 71 HA ALA 71 -21.858 -24.162 -3.341 539 HB1 ALA 71 HB1 ALA 71 -20.255 -23.628 -5.096 540 HB2 ALA 71 HB2 ALA 71 -18.928 -23.793 -3.945 541 HB3 ALA 71 HB3 ALA 71 -20.114 -22.500 -3.747 542 H MET 72 H MET 72 -18.975 -26.041 -2.541 543 HA MET 72 HA MET 72 -19.302 -28.056 -4.491 544 HB2 MET 72 HB3 MET 72 -18.032 -28.200 -1.752 545 HB3 MET 72 HB2 MET 72 -17.912 -29.457 -2.970 546 HG2 MET 72 HG3 MET 72 -16.810 -27.779 -4.468 547 HG3 MET 72 HG2 MET 72 -16.789 -26.678 -3.092 548 HE1 MET 72 HE1 MET 72 -14.080 -26.734 -3.900 549 HE2 MET 72 HE2 MET 72 -14.351 -28.115 -4.962 550 HE3 MET 72 HE3 MET 72 -13.093 -28.185 -3.727 551 H ASN 73 H ASN 73 -20.419 -27.772 -1.153 552 HA ASN 73 HA ASN 73 -21.627 -30.342 -1.035 553 HB2 ASN 73 HB3 ASN 73 -22.117 -27.877 0.654 554 HB3 ASN 73 HB2 ASN 73 -22.675 -29.502 1.042 555 HD21 ASN 73 HD21 ASN 73 -20.794 -27.601 2.374 556 HD22 ASN 73 HD22 ASN 73 -19.335 -28.500 2.610 557 H ALA 74 H ALA 74 -22.529 -27.487 -2.566 558 HA ALA 74 HA ALA 74 -25.382 -27.865 -2.385 559 HB1 ALA 74 HB1 ALA 74 -23.758 -26.006 -4.116 560 HB2 ALA 74 HB2 ALA 74 -24.452 -25.616 -2.539 561 HB3 ALA 74 HB3 ALA 74 -25.509 -25.960 -3.912 562 H ARG 75 H ARG 75 -22.938 -29.313 -4.127 563 HA ARG 75 HA ARG 75 -23.995 -29.705 -6.674 564 HB2 ARG 75 HB3 ARG 75 -21.771 -30.410 -6.257 565 HB3 ARG 75 HB2 ARG 75 -22.255 -31.407 -4.895 566 HG2 ARG 75 HG3 ARG 75 -23.482 -32.220 -7.411 567 HG3 ARG 75 HG2 ARG 75 -21.718 -32.295 -7.424 568 HD2 ARG 75 HD3 ARG 75 -23.503 -33.545 -5.334 569 HD3 ARG 75 HD2 ARG 75 -22.749 -34.407 -6.677 570 HE ARG 75 HE ARG 75 -20.588 -33.456 -5.596 571 HH11 ARG 75 HH11 ARG 75 -23.409 -34.672 -3.906 572 HH12 ARG 75 HH12 ARG 75 -22.507 -35.170 -2.503 573 HH21 ARG 75 HH21 ARG 75 -19.408 -34.073 -3.760 574 HH22 ARG 75 HH22 ARG 75 -20.224 -34.830 -2.418 575 HA PRO 76 HA PRO 76 -24.489 -31.205 -8.313 576 HB2 PRO 76 HB3 PRO 76 -27.232 -31.163 -9.319 577 HB3 PRO 76 HB2 PRO 76 -25.895 -32.226 -9.765 578 HG2 PRO 76 HG3 PRO 76 -28.044 -33.096 -8.373 579 HG3 PRO 76 HG2 PRO 76 -26.423 -33.782 -8.158 580 HD2 PRO 76 HD3 PRO 76 -27.878 -31.786 -6.465 581 HD3 PRO 76 HD2 PRO 76 -26.882 -33.171 -5.970 582 H HIS 77 H HIS 77 -23.947 -29.255 -8.890 583 HA HIS 77 HA HIS 77 -25.433 -26.944 -8.017 584 HB2 HIS 77 HB3 HIS 77 -22.855 -27.282 -8.162 585 HB3 HIS 77 HB2 HIS 77 -23.058 -26.894 -9.866 586 HD2 HIS 77 HD2 HIS 77 -22.348 -25.156 -6.665 587 HE1 HIS 77 HE1 HIS 77 -24.072 -22.252 -9.229 588 HE2 HIS 77 HE2 HIS 77 -22.657 -22.624 -7.150 589 H LYS 78 H LYS 78 -26.202 -25.283 -9.446 590 HA LYS 78 HA LYS 78 -26.719 -26.142 -12.205 591 HB2 LYS 78 HB3 LYS 78 -28.738 -26.628 -10.914 592 HB3 LYS 78 HB2 LYS 78 -28.759 -24.983 -10.293 593 HG2 LYS 78 HG3 LYS 78 -30.397 -25.194 -12.029 594 HG3 LYS 78 HG2 LYS 78 -29.091 -24.152 -12.595 595 HD2 LYS 78 HD3 LYS 78 -29.664 -25.627 -14.381 596 HD3 LYS 78 HD2 LYS 78 -28.106 -26.147 -13.738 597 HE2 LYS 78 HE3 LYS 78 -29.497 -28.076 -14.156 598 HE3 LYS 78 HE2 LYS 78 -29.265 -27.880 -12.419 599 HZ1 LYS 78 HZ1 LYS 78 -31.669 -27.007 -13.938 600 HZ2 LYS 78 HZ2 LYS 78 -31.450 -26.884 -12.258 601 HZ3 LYS 78 HZ3 LYS 78 -31.564 -28.409 -12.988 602 H VAL 79 H VAL 79 -25.849 -24.681 -13.504 603 HA VAL 79 HA VAL 79 -26.166 -21.829 -12.830 604 HB VAL 79 HB VAL 79 -23.712 -23.118 -14.031 605 HG11 VAL 79 HG11 VAL 79 -24.137 -20.990 -15.121 606 HG12 VAL 79 HG12 VAL 79 -22.744 -20.857 -14.047 607 HG13 VAL 79 HG13 VAL 79 -24.305 -20.202 -13.551 608 HG21 VAL 79 HG21 VAL 79 -23.809 -23.408 -11.645 609 HG22 VAL 79 HG22 VAL 79 -24.106 -21.684 -11.426 610 HG23 VAL 79 HG23 VAL 79 -22.560 -22.237 -12.065 611 H ASP 80 H ASP 80 -27.364 -20.869 -14.317 612 HA ASP 80 HA ASP 80 -28.297 -20.250 -16.295 613 HB2 ASP 80 HB3 ASP 80 -25.837 -19.966 -16.867 614 HB3 ASP 80 HB2 ASP 80 -25.914 -21.546 -17.634 615 H GLY 81 H GLY 81 -29.091 -22.732 -15.172 616 HA2 GLY 81 HA3 GLY 81 -30.530 -24.433 -15.759 617 HA3 GLY 81 HA2 GLY 81 -30.436 -23.873 -17.422 618 H ARG 82 H ARG 82 -27.422 -24.466 -16.001 619 HA ARG 82 HA ARG 82 -27.276 -27.126 -17.260 620 HB2 ARG 82 HB3 ARG 82 -26.132 -25.476 -18.640 621 HB3 ARG 82 HB2 ARG 82 -25.224 -24.902 -17.251 622 HG2 ARG 82 HG3 ARG 82 -23.800 -26.259 -18.603 623 HG3 ARG 82 HG2 ARG 82 -24.139 -27.120 -17.101 624 HD2 ARG 82 HD3 ARG 82 -25.729 -28.531 -18.196 625 HD3 ARG 82 HD2 ARG 82 -25.626 -27.580 -19.677 626 HE ARG 82 HE ARG 82 -23.088 -28.634 -18.904 627 HH11 ARG 82 HH11 ARG 82 -26.136 -29.534 -20.377 628 HH12 ARG 82 HH12 ARG 82 -25.423 -30.725 -21.423 629 HH21 ARG 82 HH21 ARG 82 -22.148 -30.227 -20.268 630 HH22 ARG 82 HH22 ARG 82 -23.163 -31.116 -21.371 631 H VAL 83 H VAL 83 -26.440 -28.723 -16.011 632 HA VAL 83 HA VAL 83 -25.707 -28.166 -13.287 633 HB VAL 83 HB VAL 83 -25.503 -30.747 -14.860 634 HG11 VAL 83 HG11 VAL 83 -24.001 -30.749 -12.940 635 HG12 VAL 83 HG12 VAL 83 -25.359 -31.843 -12.673 636 HG13 VAL 83 HG13 VAL 83 -25.330 -30.265 -11.885 637 HG21 VAL 83 HG21 VAL 83 -27.616 -29.774 -12.938 638 HG22 VAL 83 HG22 VAL 83 -27.554 -31.376 -13.674 639 HG23 VAL 83 HG23 VAL 83 -27.796 -29.950 -14.683 640 H VAL 84 H VAL 84 -23.788 -27.398 -12.735 641 HA VAL 84 HA VAL 84 -21.538 -27.824 -14.561 642 HB VAL 84 HB VAL 84 -20.451 -25.940 -13.464 643 HG11 VAL 84 HG11 VAL 84 -21.979 -24.167 -14.172 644 HG12 VAL 84 HG12 VAL 84 -23.304 -25.328 -14.224 645 HG13 VAL 84 HG13 VAL 84 -21.945 -25.491 -15.336 646 HG21 VAL 84 HG21 VAL 84 -21.623 -24.610 -11.771 647 HG22 VAL 84 HG22 VAL 84 -21.305 -26.250 -11.204 648 HG23 VAL 84 HG23 VAL 84 -22.924 -25.800 -11.741 649 H GLU 85 H GLU 85 -19.417 -28.189 -13.622 650 HA GLU 85 HA GLU 85 -19.588 -29.815 -11.172 651 HB2 GLU 85 HB3 GLU 85 -19.122 -31.144 -13.191 652 HB3 GLU 85 HB2 GLU 85 -17.716 -30.143 -13.522 653 HG2 GLU 85 HG3 GLU 85 -16.741 -30.894 -11.373 654 HG3 GLU 85 HG2 GLU 85 -18.113 -31.985 -11.179 655 HA PRO 86 HA PRO 86 -16.698 -26.569 -10.024 656 HB2 PRO 86 HB3 PRO 86 -17.640 -26.284 -7.497 657 HB3 PRO 86 HB2 PRO 86 -18.430 -25.583 -8.910 658 HG2 PRO 86 HG3 PRO 86 -19.298 -27.804 -7.218 659 HG3 PRO 86 HG2 PRO 86 -20.233 -26.846 -8.375 660 HD2 PRO 86 HD3 PRO 86 -19.033 -29.470 -8.724 661 HD3 PRO 86 HD2 PRO 86 -20.131 -28.594 -9.808 662 H LYS 87 H LYS 87 -14.679 -27.294 -9.742 663 HA LYS 87 HA LYS 87 -14.128 -29.034 -7.418 664 HB2 LYS 87 HB3 LYS 87 -12.656 -29.038 -10.065 665 HB3 LYS 87 HB2 LYS 87 -12.297 -30.059 -8.680 666 HG2 LYS 87 HG3 LYS 87 -14.539 -31.088 -8.921 667 HG3 LYS 87 HG2 LYS 87 -14.774 -30.131 -10.384 668 HD2 LYS 87 HD3 LYS 87 -12.538 -32.102 -9.952 669 HD3 LYS 87 HD2 LYS 87 -14.021 -32.435 -10.848 670 HE2 LYS 87 HE3 LYS 87 -12.023 -30.280 -11.529 671 HE3 LYS 87 HE2 LYS 87 -12.125 -31.853 -12.311 672 HZ1 LYS 87 HZ1 LYS 87 -14.128 -29.677 -12.379 673 HZ2 LYS 87 HZ2 LYS 87 -14.467 -31.254 -12.897 674 HZ3 LYS 87 HZ3 LYS 87 -13.271 -30.345 -13.682 675 H ARG 88 H ARG 88 -11.902 -28.790 -6.556 676 HA ARG 88 HA ARG 88 -11.257 -26.085 -6.088 677 HB2 ARG 88 HB3 ARG 88 -10.558 -28.489 -4.949 678 HB3 ARG 88 HB2 ARG 88 -9.054 -27.985 -5.704 679 HG2 ARG 88 HG3 ARG 88 -9.014 -27.177 -3.482 680 HG3 ARG 88 HG2 ARG 88 -9.316 -25.783 -4.524 681 HD2 ARG 88 HD3 ARG 88 -11.676 -25.881 -4.033 682 HD3 ARG 88 HD2 ARG 88 -11.452 -27.349 -3.087 683 HE ARG 88 HE ARG 88 -10.596 -24.637 -2.329 684 HH11 ARG 88 HH11 ARG 88 -10.986 -28.020 -1.489 685 HH12 ARG 88 HH12 ARG 88 -10.962 -27.725 0.228 686 HH21 ARG 88 HH21 ARG 88 -10.568 -24.255 -0.081 687 HH22 ARG 88 HH22 ARG 88 -10.757 -25.579 1.030 688 H ALA 89 H ALA 89 -9.810 -24.714 -7.020 689 HA ALA 89 HA ALA 89 -8.932 -25.414 -9.667 690 HB1 ALA 89 HB1 ALA 89 -8.277 -23.087 -9.866 691 HB2 ALA 89 HB2 ALA 89 -8.553 -22.847 -8.141 692 HB3 ALA 89 HB3 ALA 89 -9.907 -23.222 -9.207 693 H VAL 90 H VAL 90 -6.776 -24.830 -10.422 694 HA VAL 90 HA VAL 90 -4.682 -25.625 -8.516 695 HB VAL 90 HB VAL 90 -4.649 -25.882 -11.532 696 HG11 VAL 90 HG11 VAL 90 -2.810 -27.045 -9.449 697 HG12 VAL 90 HG12 VAL 90 -2.429 -25.723 -10.553 698 HG13 VAL 90 HG13 VAL 90 -2.729 -27.342 -11.187 699 HG21 VAL 90 HG21 VAL 90 -6.358 -27.338 -10.609 700 HG22 VAL 90 HG22 VAL 90 -5.196 -28.001 -9.460 701 HG23 VAL 90 HG23 VAL 90 -4.987 -28.285 -11.188 702 H SER 91 H SER 91 -2.684 -24.433 -8.594 703 HA SER 91 HA SER 91 -2.845 -21.710 -9.192 704 HB2 SER 91 HB3 SER 91 -0.251 -21.915 -9.153 705 HB3 SER 91 HB2 SER 91 -1.153 -22.282 -7.684 706 HG SER 91 HG SER 91 0.438 -23.870 -8.174 707 H ARG 92 H ARG 92 -2.495 -20.549 -11.010 708 HA ARG 92 HA ARG 92 -2.832 -21.908 -13.451 709 HB2 ARG 92 HB3 ARG 92 -2.567 -19.670 -14.525 710 HB3 ARG 92 HB2 ARG 92 -3.767 -19.708 -13.245 711 HG2 ARG 92 HG3 ARG 92 -1.052 -18.896 -12.435 712 HG3 ARG 92 HG2 ARG 92 -1.910 -17.787 -13.505 713 HD2 ARG 92 HD3 ARG 92 -3.787 -17.718 -11.953 714 HD3 ARG 92 HD2 ARG 92 -2.975 -18.869 -10.896 715 HE ARG 92 HE ARG 92 -1.385 -16.536 -11.381 716 HH11 ARG 92 HH11 ARG 92 -4.028 -17.796 -9.445 717 HH12 ARG 92 HH12 ARG 92 -3.769 -16.678 -8.142 718 HH21 ARG 92 HH21 ARG 92 -1.066 -15.056 -9.658 719 HH22 ARG 92 HH22 ARG 92 -2.104 -15.137 -8.262 720 H GLU 93 H GLU 93 -0.024 -20.615 -11.835 721 HA GLU 93 HA GLU 93 1.775 -20.738 -14.005 722 HB2 GLU 93 HB3 GLU 93 2.539 -21.263 -11.138 723 HB3 GLU 93 HB2 GLU 93 3.506 -20.526 -12.405 724 HG2 GLU 93 HG3 GLU 93 2.952 -18.651 -11.275 725 HG3 GLU 93 HG2 GLU 93 1.540 -18.740 -12.325 726 H ASP 94 H ASP 94 0.600 -23.107 -11.735 727 HA ASP 94 HA ASP 94 2.539 -25.123 -12.196 728 HB2 ASP 94 HB3 ASP 94 0.822 -24.910 -10.277 729 HB3 ASP 94 HB2 ASP 94 -0.311 -25.648 -11.386 730 H SER 95 H SER 95 -0.568 -24.351 -13.625 731 HA SER 95 HA SER 95 -0.722 -26.889 -14.960 732 HB2 SER 95 HB3 SER 95 -2.678 -25.464 -14.018 733 HB3 SER 95 HB2 SER 95 -2.550 -24.574 -15.533 734 HG SER 95 HG SER 95 -3.192 -26.319 -16.648 735 H GLN 96 H GLN 96 0.527 -23.782 -15.664 736 HA GLN 96 HA GLN 96 0.350 -23.911 -18.506 737 HB2 GLN 96 HB3 GLN 96 2.107 -22.291 -16.660 738 HB3 GLN 96 HB2 GLN 96 2.148 -22.134 -18.411 739 HG2 GLN 96 HG3 GLN 96 -0.294 -21.685 -16.713 740 HG3 GLN 96 HG2 GLN 96 0.787 -20.412 -17.277 741 HE21 GLN 96 HE21 GLN 96 0.789 -19.839 -19.438 742 HE22 GLN 96 HE22 GLN 96 -0.468 -20.324 -20.532 743 H ARG 97 H ARG 97 1.120 -25.851 -19.234 744 HA ARG 97 HA ARG 97 4.035 -26.105 -19.207 745 HB2 ARG 97 HB3 ARG 97 3.209 -27.685 -17.512 746 HB3 ARG 97 HB2 ARG 97 2.126 -28.401 -18.697 747 HG2 ARG 97 HG3 ARG 97 4.078 -29.097 -20.028 748 HG3 ARG 97 HG2 ARG 97 5.136 -28.433 -18.781 749 HD2 ARG 97 HD3 ARG 97 4.883 -30.849 -18.537 750 HD3 ARG 97 HD2 ARG 97 4.212 -29.990 -17.150 751 HE ARG 97 HE ARG 97 2.001 -30.440 -18.034 752 HH11 ARG 97 HH11 ARG 97 4.647 -32.234 -19.467 753 HH12 ARG 97 HH12 ARG 97 3.636 -33.529 -20.034 754 HH21 ARG 97 HH21 ARG 97 0.662 -32.160 -18.750 755 HH22 ARG 97 HH22 ARG 97 1.364 -33.467 -19.650 756 H5' U 1 H5' U 1 -16.900 -30.246 -21.002 757 H5'' U 1 H5'' U 1 -16.252 -28.705 -20.416 758 H4' U 1 H4' U 1 -15.541 -29.379 -22.707 759 H3' U 1 H3' U 1 -15.799 -26.872 -21.832 760 H2' U 1 H2' U 1 -18.067 -26.448 -22.435 761 HO2' U 1 HO2' U 1 -16.332 -25.385 -24.026 762 H1' U 1 H1' U 1 -17.840 -27.938 -25.067 763 H3 U 1 H3 U 1 -22.206 -28.689 -25.541 764 H5 U 1 H5 U 1 -21.915 -27.321 -21.583 765 H6 U 1 H6 U 1 -19.523 -27.310 -21.843 766 HO5' U 1 HO5' U 1 -18.836 -29.463 -20.893 767 H5' U 2 H5' U 2 -14.592 -28.105 -20.905 768 H5'' U 2 H5'' U 2 -15.061 -26.502 -20.310 769 H4' U 2 H4' U 2 -12.661 -26.340 -19.430 770 H3' U 2 H3' U 2 -12.055 -28.657 -20.639 771 H2' U 2 H2' U 2 -13.660 -30.045 -19.481 772 HO2' U 2 HO2' U 2 -11.181 -29.946 -18.156 773 H1' U 2 H1' U 2 -12.976 -28.561 -16.878 774 H3 U 2 H3 U 2 -16.292 -30.284 -14.454 775 H5 U 2 H5 U 2 -17.568 -31.019 -18.379 776 H6 U 2 H6 U 2 -15.586 -29.896 -19.156 777 H5' A 3 H5' A 3 -9.936 -25.750 -17.204 778 H5'' A 3 H5'' A 3 -10.492 -25.077 -18.748 779 H4' A 3 H4' A 3 -9.057 -23.414 -18.559 780 H3' A 3 H3' A 3 -7.343 -25.114 -19.595 781 H2' A 3 H2' A 3 -6.612 -26.356 -17.709 782 HO2' A 3 HO2' A 3 -5.124 -23.943 -17.706 783 H1' A 3 H1' A 3 -6.587 -24.152 -15.700 784 H8 A 3 H8 A 3 -7.739 -27.598 -16.788 785 H61 A 3 H61 A 3 -9.038 -29.284 -12.416 786 H62 A 3 H62 A 3 -9.211 -28.533 -10.844 787 H2 A 3 H2 A 3 -8.143 -24.204 -11.361 788 H5' G 4 H5' G 4 -4.821 -20.464 -19.593 789 H5'' G 4 H5'' G 4 -5.715 -21.498 -18.463 790 H4' G 4 H4' G 4 -7.112 -19.039 -19.235 791 H3' G 4 H3' G 4 -4.413 -18.591 -18.687 792 H2' G 4 H2' G 4 -4.538 -19.251 -16.375 793 HO2' G 4 HO2' G 4 -4.065 -17.004 -16.310 794 H1' G 4 H1' G 4 -7.378 -18.073 -16.480 795 H8 G 4 H8 G 4 -8.110 -17.893 -14.090 796 H1 G 4 H1 G 4 -5.646 -23.627 -12.629 797 H21 G 4 H21 G 4 -4.340 -23.541 -15.836 798 H22 G 4 H22 G 4 -4.518 -24.423 -14.336 799 H5' G 5 H5' G 5 -5.758 -13.986 -16.614 800 H5'' G 5 H5'' G 5 -6.210 -15.668 -16.963 801 H4' G 5 H4' G 5 -7.459 -14.031 -18.894 802 H3' G 5 H3' G 5 -7.501 -12.736 -16.219 803 H2' G 5 H2' G 5 -9.868 -12.592 -16.169 804 HO2' G 5 HO2' G 5 -9.979 -13.480 -18.867 805 H1' G 5 H1' G 5 -10.471 -15.075 -17.246 806 H8 G 5 H8 G 5 -8.498 -16.856 -15.417 807 H1 G 5 H1 G 5 -11.316 -12.887 -11.235 808 H21 G 5 H21 G 5 -11.963 -10.933 -14.025 809 H22 G 5 H22 G 5 -12.121 -11.134 -12.294 810 H5' U 6 H5' U 6 -4.673 -11.836 -18.746 811 H5'' U 6 H5'' U 6 -5.624 -12.624 -17.471 812 H4' U 6 H4' U 6 -3.066 -11.090 -17.037 813 H3' U 6 H3' U 6 -2.974 -13.509 -18.212 814 H2' U 6 H2' U 6 -4.232 -14.706 -16.522 815 HO2' U 6 HO2' U 6 -2.111 -15.655 -16.656 816 H1' U 6 H1' U 6 -2.671 -13.112 -14.404 817 H3 U 6 H3 U 6 -4.762 -15.147 -11.042 818 H5 U 6 H5 U 6 -7.822 -14.696 -13.879 819 H6 U 6 H6 U 6 -6.198 -13.728 -15.367 820 H5' C 7 H5' C 7 1.161 -14.100 -20.007 821 H5'' C 7 H5'' C 7 1.103 -12.461 -20.683 822 H4' C 7 H4' C 7 0.195 -14.701 -21.910 823 H3' C 7 H3' C 7 -0.398 -11.806 -22.371 824 HO3' C 7 HO3' C 7 0.245 -13.189 -24.486 825 H2' C 7 H2' C 7 -2.210 -12.364 -23.824 826 HO2' C 7 HO2' C 7 -2.540 -14.528 -24.515 827 H1' C 7 H1' C 7 -3.278 -14.418 -22.274 828 H41 C 7 H41 C 7 -5.180 -8.730 -19.488 829 H42 C 7 H42 C 7 -6.533 -9.293 -20.443 830 H5 C 7 H5 C 7 -3.035 -9.862 -19.445 831 H6 C 7 H6 C 7 -1.756 -11.742 -20.327 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -21.611 -8.939 -1.117 2 H2 ALA 1 H2 ALA 1 -22.034 -7.301 -1.197 3 H3 ALA 1 H3 ALA 1 -22.949 -8.368 -0.243 4 HA ALA 1 HA ALA 1 -21.537 -7.040 1.152 5 HB1 ALA 1 HB1 ALA 1 -22.005 -9.353 1.818 6 HB2 ALA 1 HB2 ALA 1 -20.408 -8.833 2.355 7 HB3 ALA 1 HB3 ALA 1 -20.566 -9.889 0.951 8 H SER 2 H SER 2 -20.019 -5.582 0.785 9 HA SER 2 HA SER 2 -17.723 -6.259 -0.892 10 HB2 SER 2 HB3 SER 2 -18.519 -3.581 0.275 11 HB3 SER 2 HB2 SER 2 -17.326 -3.869 -0.993 12 HG SER 2 HG SER 2 -19.795 -3.315 -1.396 13 H LYS 3 H LYS 3 -16.144 -7.243 0.203 14 HA LYS 3 HA LYS 3 -15.678 -6.732 2.999 15 HB2 LYS 3 HB3 LYS 3 -14.056 -8.368 1.041 16 HB3 LYS 3 HB2 LYS 3 -13.902 -8.400 2.790 17 HG2 LYS 3 HG3 LYS 3 -16.343 -9.241 1.242 18 HG3 LYS 3 HG2 LYS 3 -15.131 -10.330 1.915 19 HD2 LYS 3 HD3 LYS 3 -16.814 -8.411 3.525 20 HD3 LYS 3 HD2 LYS 3 -17.153 -10.131 3.325 21 HE2 LYS 3 HE3 LYS 3 -15.004 -10.670 4.368 22 HE3 LYS 3 HE2 LYS 3 -14.672 -8.950 4.570 23 HZ1 LYS 3 HZ1 LYS 3 -16.633 -8.785 5.986 24 HZ2 LYS 3 HZ2 LYS 3 -15.520 -9.901 6.611 25 HZ3 LYS 3 HZ3 LYS 3 -16.913 -10.451 5.816 26 H SER 4 H SER 4 -13.877 -5.768 3.924 27 HA SER 4 HA SER 4 -12.373 -3.948 2.215 28 HB2 SER 4 HB3 SER 4 -13.280 -3.085 4.344 29 HB3 SER 4 HB2 SER 4 -12.352 -4.293 5.231 30 HG SER 4 HG SER 4 -11.109 -2.433 3.497 31 H GLU 5 H GLU 5 -11.907 -6.668 4.401 32 HA GLU 5 HA GLU 5 -9.159 -6.968 3.406 33 HB2 GLU 5 HB3 GLU 5 -10.518 -7.945 5.909 34 HB3 GLU 5 HB2 GLU 5 -8.977 -8.595 5.368 35 HG2 GLU 5 HG3 GLU 5 -9.543 -5.718 6.046 36 HG3 GLU 5 HG2 GLU 5 -8.668 -6.874 7.051 37 H SER 6 H SER 6 -9.048 -8.280 1.736 38 HA SER 6 HA SER 6 -10.956 -10.408 1.337 39 HB2 SER 6 HB3 SER 6 -8.467 -9.654 -0.219 40 HB3 SER 6 HB2 SER 6 -9.663 -10.847 -0.727 41 HG SER 6 HG SER 6 -9.979 -8.042 -0.436 42 HA PRO 7 HA PRO 7 -8.389 -13.156 3.753 43 HB2 PRO 7 HB3 PRO 7 -10.464 -15.143 3.450 44 HB3 PRO 7 HB2 PRO 7 -10.041 -14.205 4.882 45 HG2 PRO 7 HG3 PRO 7 -12.383 -13.899 3.498 46 HG3 PRO 7 HG2 PRO 7 -11.631 -12.618 4.466 47 HD2 PRO 7 HD3 PRO 7 -11.566 -13.041 1.501 48 HD3 PRO 7 HD2 PRO 7 -11.733 -11.529 2.422 49 H LYS 8 H LYS 8 -9.077 -13.303 0.536 50 HA LYS 8 HA LYS 8 -8.296 -16.046 0.106 51 HB2 LYS 8 HB3 LYS 8 -8.442 -15.273 -2.375 52 HB3 LYS 8 HB2 LYS 8 -9.904 -15.495 -1.432 53 HG2 LYS 8 HG3 LYS 8 -10.412 -13.494 -2.347 54 HG3 LYS 8 HG2 LYS 8 -9.511 -12.903 -0.954 55 HD2 LYS 8 HD3 LYS 8 -8.780 -11.742 -2.942 56 HD3 LYS 8 HD2 LYS 8 -7.481 -12.787 -2.360 57 HE2 LYS 8 HE3 LYS 8 -8.087 -14.468 -4.034 58 HE3 LYS 8 HE2 LYS 8 -9.391 -13.431 -4.609 59 HZ1 LYS 8 HZ1 LYS 8 -6.508 -12.706 -4.651 60 HZ2 LYS 8 HZ2 LYS 8 -7.788 -11.796 -5.299 61 HZ3 LYS 8 HZ3 LYS 8 -7.376 -13.295 -5.987 62 H GLU 9 H GLU 9 -6.242 -15.575 1.268 63 HA GLU 9 HA GLU 9 -4.157 -14.162 -0.001 64 HB2 GLU 9 HB3 GLU 9 -3.939 -16.550 1.842 65 HB3 GLU 9 HB2 GLU 9 -2.639 -15.439 1.437 66 HG2 GLU 9 HG3 GLU 9 -3.731 -13.644 2.575 67 HG3 GLU 9 HG2 GLU 9 -5.175 -14.625 2.832 68 HA PRO 10 HA PRO 10 -3.236 -18.052 -2.485 69 HB2 PRO 10 HB3 PRO 10 -4.312 -20.466 -1.764 70 HB3 PRO 10 HB2 PRO 10 -2.748 -19.879 -1.204 71 HG2 PRO 10 HG3 PRO 10 -5.189 -20.252 0.292 72 HG3 PRO 10 HG2 PRO 10 -3.576 -19.833 0.890 73 HD2 PRO 10 HD3 PRO 10 -5.881 -18.095 0.422 74 HD3 PRO 10 HD2 PRO 10 -4.384 -17.756 1.311 75 H GLU 11 H GLU 11 -4.425 -17.313 -4.151 76 HA GLU 11 HA GLU 11 -7.265 -17.450 -4.235 77 HB2 GLU 11 HB3 GLU 11 -5.879 -15.732 -5.419 78 HB3 GLU 11 HB2 GLU 11 -5.345 -16.989 -6.526 79 HG2 GLU 11 HG3 GLU 11 -7.606 -17.309 -7.313 80 HG3 GLU 11 HG2 GLU 11 -8.203 -16.138 -6.138 81 H GLN 12 H GLN 12 -4.688 -19.560 -5.161 82 HA GLN 12 HA GLN 12 -5.908 -21.190 -7.054 83 HB2 GLN 12 HB3 GLN 12 -3.636 -21.607 -6.683 84 HB3 GLN 12 HB2 GLN 12 -3.836 -21.678 -4.937 85 HG2 GLN 12 HG3 GLN 12 -5.088 -23.808 -5.243 86 HG3 GLN 12 HG2 GLN 12 -4.673 -23.745 -6.956 87 HE21 GLN 12 HE21 GLN 12 -3.560 -25.702 -6.756 88 HE22 GLN 12 HE22 GLN 12 -1.992 -25.778 -6.023 89 H LEU 13 H LEU 13 -5.855 -21.628 -3.516 90 HA LEU 13 HA LEU 13 -7.523 -23.956 -3.789 91 HB2 LEU 13 HB3 LEU 13 -7.121 -24.314 -1.442 92 HB3 LEU 13 HB2 LEU 13 -5.622 -23.943 -2.262 93 HG LEU 13 HG LEU 13 -5.985 -21.541 -1.368 94 HD11 LEU 13 HD11 LEU 13 -7.694 -23.110 0.555 95 HD12 LEU 13 HD12 LEU 13 -8.280 -21.894 -0.579 96 HD13 LEU 13 HD13 LEU 13 -7.195 -21.427 0.732 97 HD21 LEU 13 HD21 LEU 13 -4.823 -22.153 0.694 98 HD22 LEU 13 HD22 LEU 13 -4.193 -23.044 -0.691 99 HD23 LEU 13 HD23 LEU 13 -5.278 -23.839 0.450 100 H ARG 14 H ARG 14 -8.113 -20.680 -3.469 101 HA ARG 14 HA ARG 14 -10.731 -21.160 -2.217 102 HB2 ARG 14 HB3 ARG 14 -9.166 -18.617 -2.644 103 HB3 ARG 14 HB2 ARG 14 -10.849 -18.629 -2.136 104 HG2 ARG 14 HG3 ARG 14 -10.123 -20.071 -0.194 105 HG3 ARG 14 HG2 ARG 14 -8.460 -19.697 -0.669 106 HD2 ARG 14 HD3 ARG 14 -8.728 -17.413 -0.225 107 HD3 ARG 14 HD2 ARG 14 -10.483 -17.538 -0.186 108 HE ARG 14 HE ARG 14 -10.281 -17.847 2.047 109 HH11 ARG 14 HH11 ARG 14 -7.413 -19.243 0.588 110 HH12 ARG 14 HH12 ARG 14 -6.703 -19.683 2.117 111 HH21 ARG 14 HH21 ARG 14 -9.343 -18.413 4.034 112 HH22 ARG 14 HH22 ARG 14 -7.801 -19.227 4.063 113 H LYS 15 H LYS 15 -9.379 -21.074 -5.209 114 HA LYS 15 HA LYS 15 -11.643 -19.741 -6.489 115 HB2 LYS 15 HB3 LYS 15 -9.293 -19.298 -7.279 116 HB3 LYS 15 HB2 LYS 15 -9.220 -20.969 -7.819 117 HG2 LYS 15 HG3 LYS 15 -11.178 -20.513 -9.286 118 HG3 LYS 15 HG2 LYS 15 -11.062 -18.814 -8.826 119 HD2 LYS 15 HD3 LYS 15 -8.893 -20.421 -10.173 120 HD3 LYS 15 HD2 LYS 15 -9.959 -19.268 -10.974 121 HE2 LYS 15 HE3 LYS 15 -8.045 -18.603 -8.744 122 HE3 LYS 15 HE2 LYS 15 -7.731 -18.339 -10.457 123 HZ1 LYS 15 HZ1 LYS 15 -9.669 -16.849 -10.506 124 HZ2 LYS 15 HZ2 LYS 15 -8.470 -16.310 -9.438 125 HZ3 LYS 15 HZ3 LYS 15 -9.869 -17.058 -8.837 126 H LEU 16 H LEU 16 -13.114 -20.777 -7.687 127 HA LEU 16 HA LEU 16 -13.140 -23.707 -7.491 128 HB2 LEU 16 HB3 LEU 16 -14.964 -22.060 -6.552 129 HB3 LEU 16 HB2 LEU 16 -15.494 -22.014 -8.216 130 HG LEU 16 HG LEU 16 -15.978 -24.360 -8.217 131 HD11 LEU 16 HD11 LEU 16 -14.749 -24.357 -5.472 132 HD12 LEU 16 HD12 LEU 16 -14.146 -25.191 -6.902 133 HD13 LEU 16 HD13 LEU 16 -15.662 -25.701 -6.152 134 HD21 LEU 16 HD21 LEU 16 -16.977 -23.043 -5.695 135 HD22 LEU 16 HD22 LEU 16 -17.695 -24.457 -6.467 136 HD23 LEU 16 HD23 LEU 16 -17.695 -22.901 -7.299 137 H PHE 17 H PHE 17 -12.866 -24.840 -9.274 138 HA PHE 17 HA PHE 17 -12.857 -23.539 -11.874 139 HB2 PHE 17 HB3 PHE 17 -11.042 -25.079 -11.433 140 HB3 PHE 17 HB2 PHE 17 -12.173 -26.355 -10.997 141 HD1 PHE 17 HD1 PHE 17 -12.386 -28.021 -12.549 142 HD2 PHE 17 HD2 PHE 17 -11.661 -24.049 -13.896 143 HE1 PHE 17 HE1 PHE 17 -12.410 -28.806 -14.881 144 HE2 PHE 17 HE2 PHE 17 -11.683 -24.831 -16.225 145 HZ PHE 17 HZ PHE 17 -12.057 -27.210 -16.722 146 H ILE 18 H ILE 18 -14.581 -23.497 -13.143 147 HA ILE 18 HA ILE 18 -16.792 -25.349 -12.524 148 HB ILE 18 HB ILE 18 -17.101 -22.728 -13.971 149 HG12 ILE 18 HG12 ILE 18 -16.088 -22.164 -11.843 150 HG13 ILE 18 HG13 ILE 18 -17.793 -21.728 -11.810 151 HG21 ILE 18 HG21 ILE 18 -18.935 -24.303 -14.163 152 HG22 ILE 18 HG22 ILE 18 -19.417 -22.912 -13.192 153 HG23 ILE 18 HG23 ILE 18 -19.023 -24.442 -12.406 154 HD11 ILE 18 HD11 ILE 18 -16.543 -24.149 -10.537 155 HD12 ILE 18 HD12 ILE 18 -18.267 -23.774 -10.544 156 HD13 ILE 18 HD13 ILE 18 -17.134 -22.705 -9.713 157 H GLY 19 H GLY 19 -16.369 -26.999 -13.972 158 HA2 GLY 19 HA3 GLY 19 -16.104 -26.229 -16.809 159 HA3 GLY 19 HA2 GLY 19 -15.620 -27.776 -16.132 160 H GLY 20 H GLY 20 -17.488 -27.001 -18.350 161 HA2 GLY 20 HA3 GLY 20 -19.136 -28.508 -19.156 162 HA3 GLY 20 HA2 GLY 20 -19.592 -28.861 -17.498 163 H LEU 21 H LEU 21 -19.155 -25.548 -18.164 164 HA LEU 21 HA LEU 21 -22.012 -25.150 -17.878 165 HB2 LEU 21 HB3 LEU 21 -21.372 -22.717 -17.737 166 HB3 LEU 21 HB2 LEU 21 -20.759 -23.758 -16.471 167 HG LEU 21 HG LEU 21 -18.591 -23.836 -17.892 168 HD11 LEU 21 HD11 LEU 21 -19.633 -22.718 -19.864 169 HD12 LEU 21 HD12 LEU 21 -18.155 -21.952 -19.283 170 HD13 LEU 21 HD13 LEU 21 -19.721 -21.240 -18.907 171 HD21 LEU 21 HD21 LEU 21 -17.779 -21.818 -16.778 172 HD22 LEU 21 HD22 LEU 21 -18.778 -22.796 -15.704 173 HD23 LEU 21 HD23 LEU 21 -19.441 -21.336 -16.439 174 H SER 22 H SER 22 -23.002 -23.332 -19.232 175 HA SER 22 HA SER 22 -22.860 -24.312 -21.935 176 HB2 SER 22 HB3 SER 22 -24.818 -22.846 -22.299 177 HB3 SER 22 HB2 SER 22 -25.029 -23.870 -20.877 178 HG SER 22 HG SER 22 -25.631 -21.723 -20.409 179 H PHE 23 H PHE 23 -23.059 -22.633 -23.754 180 HA PHE 23 HA PHE 23 -20.816 -20.812 -23.557 181 HB2 PHE 23 HB3 PHE 23 -22.725 -21.296 -25.852 182 HB3 PHE 23 HB2 PHE 23 -21.227 -20.374 -25.937 183 HD1 PHE 23 HD1 PHE 23 -22.619 -23.407 -26.728 184 HD2 PHE 23 HD2 PHE 23 -19.161 -21.776 -24.867 185 HE1 PHE 23 HE1 PHE 23 -21.383 -25.484 -27.209 186 HE2 PHE 23 HE2 PHE 23 -17.916 -23.843 -25.346 187 HZ PHE 23 HZ PHE 23 -19.025 -25.706 -26.512 188 H GLU 24 H GLU 24 -23.933 -20.714 -22.639 189 HA GLU 24 HA GLU 24 -24.282 -17.857 -23.147 190 HB2 GLU 24 HB3 GLU 24 -26.196 -19.750 -21.771 191 HB3 GLU 24 HB2 GLU 24 -26.555 -18.160 -22.434 192 HG2 GLU 24 HG3 GLU 24 -26.075 -19.031 -24.696 193 HG3 GLU 24 HG2 GLU 24 -25.815 -20.627 -23.996 194 H THR 25 H THR 25 -22.968 -19.950 -20.932 195 HA THR 25 HA THR 25 -23.493 -18.474 -18.536 196 HB THR 25 HB THR 25 -21.278 -20.468 -19.088 197 HG1 THR 25 HG1 THR 25 -23.736 -21.041 -19.193 198 HG21 THR 25 HG21 THR 25 -20.873 -19.068 -17.118 199 HG22 THR 25 HG22 THR 25 -21.232 -20.729 -16.650 200 HG23 THR 25 HG23 THR 25 -22.467 -19.481 -16.486 201 H THR 26 H THR 26 -22.924 -16.356 -18.910 202 HA THR 26 HA THR 26 -20.146 -15.786 -19.591 203 HB THR 26 HB THR 26 -21.831 -14.474 -20.770 204 HG1 THR 26 HG1 THR 26 -20.589 -12.769 -20.659 205 HG21 THR 26 HG21 THR 26 -23.603 -14.505 -19.106 206 HG22 THR 26 HG22 THR 26 -23.227 -12.849 -19.581 207 HG23 THR 26 HG23 THR 26 -22.640 -13.478 -18.043 208 H ASP 27 H ASP 27 -19.190 -13.890 -18.232 209 HA ASP 27 HA ASP 27 -18.631 -15.034 -15.746 210 HB2 ASP 27 HB3 ASP 27 -17.071 -13.375 -15.490 211 HB3 ASP 27 HB2 ASP 27 -17.351 -13.254 -17.219 212 H GLU 28 H GLU 28 -20.725 -12.325 -16.578 213 HA GLU 28 HA GLU 28 -21.439 -11.649 -13.941 214 HB2 GLU 28 HB3 GLU 28 -23.312 -10.424 -14.930 215 HB3 GLU 28 HB2 GLU 28 -21.821 -10.137 -15.813 216 HG2 GLU 28 HG3 GLU 28 -22.521 -11.696 -17.538 217 HG3 GLU 28 HG2 GLU 28 -24.007 -12.021 -16.650 218 H SER 29 H SER 29 -22.854 -13.951 -16.234 219 HA SER 29 HA SER 29 -25.063 -14.633 -14.566 220 HB2 SER 29 HB3 SER 29 -23.754 -16.210 -16.801 221 HB3 SER 29 HB2 SER 29 -25.310 -16.589 -16.065 222 HG SER 29 HG SER 29 -25.809 -15.423 -17.843 223 H LEU 30 H LEU 30 -21.791 -15.800 -14.980 224 HA LEU 30 HA LEU 30 -22.046 -18.198 -13.507 225 HB2 LEU 30 HB3 LEU 30 -20.174 -17.660 -15.067 226 HB3 LEU 30 HB2 LEU 30 -19.566 -16.516 -13.886 227 HG LEU 30 HG LEU 30 -19.366 -18.449 -12.269 228 HD11 LEU 30 HD11 LEU 30 -20.892 -19.983 -13.380 229 HD12 LEU 30 HD12 LEU 30 -19.285 -20.695 -13.225 230 HD13 LEU 30 HD13 LEU 30 -19.818 -20.053 -14.779 231 HD21 LEU 30 HD21 LEU 30 -17.731 -18.582 -14.798 232 HD22 LEU 30 HD22 LEU 30 -17.277 -19.256 -13.234 233 HD23 LEU 30 HD23 LEU 30 -17.436 -17.509 -13.428 234 H ARG 31 H ARG 31 -20.719 -15.014 -12.577 235 HA ARG 31 HA ARG 31 -20.166 -15.742 -9.930 236 HB2 ARG 31 HB3 ARG 31 -19.494 -13.589 -9.601 237 HB3 ARG 31 HB2 ARG 31 -19.534 -13.574 -11.357 238 HG2 ARG 31 HG3 ARG 31 -21.734 -12.527 -11.304 239 HG3 ARG 31 HG2 ARG 31 -21.714 -12.578 -9.538 240 HD2 ARG 31 HD3 ARG 31 -21.106 -10.372 -10.238 241 HD3 ARG 31 HD2 ARG 31 -19.684 -11.163 -9.570 242 HE ARG 31 HE ARG 31 -19.478 -11.618 -12.246 243 HH11 ARG 31 HH11 ARG 31 -19.930 -8.742 -10.295 244 HH12 ARG 31 HH12 ARG 31 -19.047 -7.712 -11.387 245 HH21 ARG 31 HH21 ARG 31 -18.338 -10.251 -13.708 246 HH22 ARG 31 HH22 ARG 31 -18.170 -8.559 -13.320 247 H SER 32 H SER 32 -23.100 -14.473 -11.425 248 HA SER 32 HA SER 32 -24.488 -13.838 -9.071 249 HB2 SER 32 HB3 SER 32 -25.570 -14.742 -11.748 250 HB3 SER 32 HB2 SER 32 -26.533 -14.014 -10.461 251 HG SER 32 HG SER 32 -24.482 -12.837 -12.026 252 H HIS 33 H HIS 33 -24.175 -16.879 -10.847 253 HA HIS 33 HA HIS 33 -26.086 -18.178 -9.113 254 HB2 HIS 33 HB3 HIS 33 -24.470 -19.111 -11.470 255 HB3 HIS 33 HB2 HIS 33 -25.357 -20.248 -10.458 256 HD2 HIS 33 HD2 HIS 33 -28.013 -18.244 -10.109 257 HE1 HIS 33 HE1 HIS 33 -28.250 -18.818 -14.290 258 HE2 HIS 33 HE2 HIS 33 -29.406 -17.845 -12.256 259 H PHE 34 H PHE 34 -22.851 -17.415 -8.818 260 HA PHE 34 HA PHE 34 -22.481 -19.683 -6.987 261 HB2 PHE 34 HB3 PHE 34 -20.507 -18.084 -8.566 262 HB3 PHE 34 HB2 PHE 34 -19.996 -18.906 -7.091 263 HD1 PHE 34 HD1 PHE 34 -20.157 -21.355 -6.925 264 HD2 PHE 34 HD2 PHE 34 -20.983 -19.300 -10.554 265 HE1 PHE 34 HE1 PHE 34 -19.966 -23.472 -8.162 266 HE2 PHE 34 HE2 PHE 34 -20.790 -21.410 -11.796 267 HZ PHE 34 HZ PHE 34 -20.293 -23.505 -10.604 268 H GLU 35 H GLU 35 -22.882 -16.289 -7.122 269 HA GLU 35 HA GLU 35 -21.767 -15.724 -4.542 270 HB2 GLU 35 HB3 GLU 35 -23.666 -14.181 -6.306 271 HB3 GLU 35 HB2 GLU 35 -23.131 -13.596 -4.740 272 HG2 GLU 35 HG3 GLU 35 -20.811 -13.644 -5.524 273 HG3 GLU 35 HG2 GLU 35 -21.368 -14.200 -7.102 274 H GLN 36 H GLN 36 -24.197 -17.657 -5.306 275 HA GLN 36 HA GLN 36 -26.257 -16.784 -3.538 276 HB2 GLN 36 HB3 GLN 36 -25.745 -19.404 -4.923 277 HB3 GLN 36 HB2 GLN 36 -27.153 -19.100 -3.916 278 HG2 GLN 36 HG3 GLN 36 -27.842 -17.300 -5.403 279 HG3 GLN 36 HG2 GLN 36 -26.408 -17.564 -6.394 280 HE21 GLN 36 HE21 GLN 36 -26.249 -19.468 -7.598 281 HE22 GLN 36 HE22 GLN 36 -27.653 -20.381 -8.046 282 H TRP 37 H TRP 37 -23.653 -19.177 -3.372 283 HA TRP 37 HA TRP 37 -24.400 -19.791 -0.608 284 HB2 TRP 37 HB3 TRP 37 -22.487 -21.208 -2.481 285 HB3 TRP 37 HB2 TRP 37 -22.841 -21.710 -0.832 286 HD1 TRP 37 HD1 TRP 37 -25.095 -23.003 -0.397 287 HE1 TRP 37 HE1 TRP 37 -26.897 -23.991 -1.942 288 HE3 TRP 37 HE3 TRP 37 -23.653 -20.848 -4.799 289 HZ2 TRP 37 HZ2 TRP 37 -27.595 -23.896 -4.677 290 HZ3 TRP 37 HZ3 TRP 37 -24.931 -21.362 -6.833 291 HH2 TRP 37 HH2 TRP 37 -26.856 -22.853 -6.778 292 H GLY 38 H GLY 38 -22.601 -17.528 -2.004 293 HA2 GLY 38 HA3 GLY 38 -21.116 -16.883 0.261 294 HA3 GLY 38 HA2 GLY 38 -20.058 -17.823 -0.777 295 H THR 39 H THR 39 -19.021 -15.553 -0.388 296 HA THR 39 HA THR 39 -19.979 -13.613 -2.382 297 HB THR 39 HB THR 39 -18.104 -13.407 -0.029 298 HG1 THR 39 HG1 THR 39 -20.723 -12.907 -0.465 299 HG21 THR 39 HG21 THR 39 -17.885 -10.988 -0.601 300 HG22 THR 39 HG22 THR 39 -18.627 -11.338 -2.165 301 HG23 THR 39 HG23 THR 39 -17.077 -12.068 -1.738 302 H LEU 40 H LEU 40 -18.947 -13.481 -4.333 303 HA LEU 40 HA LEU 40 -16.397 -14.865 -4.599 304 HB2 LEU 40 HB3 LEU 40 -17.841 -13.425 -6.809 305 HB3 LEU 40 HB2 LEU 40 -16.654 -14.709 -6.942 306 HG LEU 40 HG LEU 40 -19.528 -14.906 -6.193 307 HD11 LEU 40 HD11 LEU 40 -17.826 -16.234 -8.246 308 HD12 LEU 40 HD12 LEU 40 -19.095 -15.037 -8.506 309 HD13 LEU 40 HD13 LEU 40 -19.508 -16.646 -7.914 310 HD21 LEU 40 HD21 LEU 40 -17.377 -16.899 -5.618 311 HD22 LEU 40 HD22 LEU 40 -19.082 -17.328 -5.736 312 HD23 LEU 40 HD23 LEU 40 -18.540 -16.198 -4.495 313 H THR 41 H THR 41 -14.664 -13.767 -4.067 314 HA THR 41 HA THR 41 -14.482 -10.908 -4.267 315 HB THR 41 HB THR 41 -12.119 -11.259 -3.577 316 HG1 THR 41 HG1 THR 41 -12.556 -13.991 -3.154 317 HG21 THR 41 HG21 THR 41 -12.593 -12.202 -1.367 318 HG22 THR 41 HG22 THR 41 -14.118 -12.855 -1.969 319 HG23 THR 41 HG23 THR 41 -13.881 -11.108 -1.877 320 H ASP 42 H ASP 42 -13.806 -13.649 -6.189 321 HA ASP 42 HA ASP 42 -13.029 -11.971 -8.445 322 HB2 ASP 42 HB3 ASP 42 -10.905 -12.687 -7.564 323 HB3 ASP 42 HB2 ASP 42 -11.465 -14.332 -7.388 324 H CYS 43 H CYS 43 -13.684 -12.860 -10.435 325 HA CYS 43 HA CYS 43 -14.545 -15.546 -10.740 326 HB2 CYS 43 HB3 CYS 43 -16.457 -14.620 -9.388 327 HB3 CYS 43 HB2 CYS 43 -16.778 -13.505 -10.710 328 HG CYS 43 HG CYS 43 -16.628 -16.746 -11.581 329 H VAL 44 H VAL 44 -14.813 -16.029 -12.902 330 HA VAL 44 HA VAL 44 -15.219 -14.078 -14.926 331 HB VAL 44 HB VAL 44 -12.894 -13.487 -14.228 332 HG11 VAL 44 HG11 VAL 44 -11.058 -15.015 -14.779 333 HG12 VAL 44 HG12 VAL 44 -12.231 -16.259 -15.209 334 HG13 VAL 44 HG13 VAL 44 -12.125 -15.683 -13.544 335 HG21 VAL 44 HG21 VAL 44 -13.661 -13.040 -16.504 336 HG22 VAL 44 HG22 VAL 44 -13.107 -14.638 -17.009 337 HG23 VAL 44 HG23 VAL 44 -11.941 -13.429 -16.469 338 H VAL 45 H VAL 45 -15.492 -15.067 -16.957 339 HA VAL 45 HA VAL 45 -15.298 -18.000 -16.930 340 HB VAL 45 HB VAL 45 -16.862 -17.974 -18.841 341 HG11 VAL 45 HG11 VAL 45 -17.794 -16.538 -16.370 342 HG12 VAL 45 HG12 VAL 45 -17.752 -18.281 -16.635 343 HG13 VAL 45 HG13 VAL 45 -18.859 -17.274 -17.567 344 HG21 VAL 45 HG21 VAL 45 -17.011 -15.007 -18.323 345 HG22 VAL 45 HG22 VAL 45 -18.056 -15.913 -19.417 346 HG23 VAL 45 HG23 VAL 45 -16.331 -15.783 -19.753 347 H MET 46 H MET 46 -14.507 -19.051 -18.841 348 HA MET 46 HA MET 46 -12.530 -17.450 -20.273 349 HB2 MET 46 HB3 MET 46 -13.060 -20.431 -20.320 350 HB3 MET 46 HB2 MET 46 -11.745 -19.618 -21.165 351 HG2 MET 46 HG3 MET 46 -12.160 -19.794 -18.195 352 HG3 MET 46 HG2 MET 46 -10.892 -20.568 -19.146 353 HE1 MET 46 HE1 MET 46 -9.414 -19.449 -17.102 354 HE2 MET 46 HE2 MET 46 -10.807 -18.532 -16.516 355 HE3 MET 46 HE3 MET 46 -9.292 -17.702 -16.868 356 H ARG 47 H ARG 47 -12.627 -17.096 -22.496 357 HA ARG 47 HA ARG 47 -15.235 -17.810 -23.657 358 HB2 ARG 47 HB3 ARG 47 -13.698 -15.256 -24.195 359 HB3 ARG 47 HB2 ARG 47 -15.276 -15.683 -24.843 360 HG2 ARG 47 HG3 ARG 47 -15.692 -14.125 -23.148 361 HG3 ARG 47 HG2 ARG 47 -16.103 -15.688 -22.447 362 HD2 ARG 47 HD3 ARG 47 -14.880 -14.309 -20.854 363 HD3 ARG 47 HD2 ARG 47 -13.957 -15.745 -21.285 364 HE ARG 47 HE ARG 47 -13.228 -13.525 -22.914 365 HH11 ARG 47 HH11 ARG 47 -12.790 -14.921 -19.730 366 HH12 ARG 47 HH12 ARG 47 -11.265 -14.135 -19.455 367 HH21 ARG 47 HH21 ARG 47 -11.211 -12.464 -22.529 368 HH22 ARG 47 HH22 ARG 47 -10.383 -12.732 -21.024 369 H ASP 48 H ASP 48 -15.340 -18.148 -25.857 370 HA ASP 48 HA ASP 48 -13.129 -19.396 -27.083 371 HB2 ASP 48 HB3 ASP 48 -15.645 -19.693 -27.578 372 HB3 ASP 48 HB2 ASP 48 -15.481 -18.236 -28.548 373 HA PRO 49 HA PRO 49 -10.986 -15.807 -28.570 374 HB2 PRO 49 HB3 PRO 49 -9.623 -16.977 -30.632 375 HB3 PRO 49 HB2 PRO 49 -9.145 -17.114 -28.938 376 HG2 PRO 49 HG3 PRO 49 -10.663 -19.049 -30.643 377 HG3 PRO 49 HG2 PRO 49 -9.373 -19.364 -29.465 378 HD2 PRO 49 HD3 PRO 49 -11.977 -19.764 -28.883 379 HD3 PRO 49 HD2 PRO 49 -10.811 -19.210 -27.661 380 H ASN 50 H ASN 50 -13.164 -17.694 -30.465 381 HA ASN 50 HA ASN 50 -13.120 -15.722 -32.650 382 HB2 ASN 50 HB3 ASN 50 -14.648 -18.312 -32.713 383 HB3 ASN 50 HB2 ASN 50 -14.053 -17.353 -34.063 384 HD21 ASN 50 HD21 ASN 50 -13.258 -19.629 -31.577 385 HD22 ASN 50 HD22 ASN 50 -11.727 -20.134 -32.250 386 H THR 51 H THR 51 -15.436 -17.657 -30.749 387 HA THR 51 HA THR 51 -17.645 -16.033 -31.608 388 HB THR 51 HB THR 51 -19.054 -17.474 -30.353 389 HG1 THR 51 HG1 THR 51 -18.069 -19.001 -28.821 390 HG21 THR 51 HG21 THR 51 -18.041 -18.543 -32.310 391 HG22 THR 51 HG22 THR 51 -18.331 -19.719 -31.026 392 HG23 THR 51 HG23 THR 51 -16.700 -19.107 -31.312 393 H LYS 52 H LYS 52 -15.562 -16.180 -28.810 394 HA LYS 52 HA LYS 52 -15.341 -14.889 -26.952 395 HB2 LYS 52 HB3 LYS 52 -17.106 -12.935 -28.456 396 HB3 LYS 52 HB2 LYS 52 -16.134 -12.563 -27.040 397 HG2 LYS 52 HG3 LYS 52 -15.001 -13.514 -29.659 398 HG3 LYS 52 HG2 LYS 52 -15.150 -11.819 -29.200 399 HD2 LYS 52 HD3 LYS 52 -13.708 -13.749 -27.422 400 HD3 LYS 52 HD2 LYS 52 -12.897 -13.059 -28.827 401 HE2 LYS 52 HE3 LYS 52 -12.372 -11.720 -26.906 402 HE3 LYS 52 HE2 LYS 52 -13.438 -10.794 -27.958 403 HZ1 LYS 52 HZ1 LYS 52 -14.375 -12.309 -25.582 404 HZ2 LYS 52 HZ2 LYS 52 -15.271 -11.211 -26.514 405 HZ3 LYS 52 HZ3 LYS 52 -13.988 -10.662 -25.555 406 H ARG 53 H ARG 53 -17.506 -16.819 -27.202 407 HA ARG 53 HA ARG 53 -19.638 -15.650 -25.568 408 HB2 ARG 53 HB3 ARG 53 -19.343 -18.130 -27.175 409 HB3 ARG 53 HB2 ARG 53 -20.334 -18.251 -25.730 410 HG2 ARG 53 HG3 ARG 53 -21.721 -17.798 -27.635 411 HG3 ARG 53 HG2 ARG 53 -21.728 -16.403 -26.558 412 HD2 ARG 53 HD3 ARG 53 -20.349 -15.155 -28.002 413 HD3 ARG 53 HD2 ARG 53 -19.885 -16.586 -28.925 414 HE ARG 53 HE ARG 53 -22.610 -16.403 -29.210 415 HH11 ARG 53 HH11 ARG 53 -19.900 -14.270 -29.887 416 HH12 ARG 53 HH12 ARG 53 -20.661 -13.555 -31.280 417 HH21 ARG 53 HH21 ARG 53 -23.600 -15.452 -31.029 418 HH22 ARG 53 HH22 ARG 53 -22.759 -14.219 -31.917 419 H SER 54 H SER 54 -18.299 -18.890 -25.327 420 HA SER 54 HA SER 54 -16.810 -18.278 -22.949 421 HB2 SER 54 HB3 SER 54 -17.962 -19.713 -21.427 422 HB3 SER 54 HB2 SER 54 -19.207 -18.703 -22.159 423 HG SER 54 HG SER 54 -19.877 -20.850 -22.149 424 H ARG 55 H ARG 55 -16.083 -20.643 -22.079 425 HA ARG 55 HA ARG 55 -15.276 -22.144 -24.477 426 HB2 ARG 55 HB3 ARG 55 -13.692 -21.334 -22.056 427 HB3 ARG 55 HB2 ARG 55 -13.203 -22.678 -23.059 428 HG2 ARG 55 HG3 ARG 55 -13.732 -20.583 -24.822 429 HG3 ARG 55 HG2 ARG 55 -12.844 -19.874 -23.475 430 HD2 ARG 55 HD3 ARG 55 -11.950 -22.326 -24.979 431 HD3 ARG 55 HD2 ARG 55 -11.424 -20.690 -25.363 432 HE ARG 55 HE ARG 55 -10.557 -22.336 -23.155 433 HH11 ARG 55 HH11 ARG 55 -10.830 -19.050 -24.357 434 HH12 ARG 55 HH12 ARG 55 -9.458 -18.475 -23.458 435 HH21 ARG 55 HH21 ARG 55 -8.754 -21.589 -21.991 436 HH22 ARG 55 HH22 ARG 55 -8.279 -19.922 -22.108 437 H GLY 56 H GLY 56 -17.428 -22.413 -22.311 438 HA2 GLY 56 HA3 GLY 56 -18.533 -24.288 -21.521 439 HA3 GLY 56 HA2 GLY 56 -17.182 -25.270 -22.068 440 H PHE 57 H PHE 57 -16.036 -22.725 -20.232 441 HA PHE 57 HA PHE 57 -16.539 -23.821 -17.640 442 HB2 PHE 57 HB3 PHE 57 -14.122 -24.262 -17.104 443 HB3 PHE 57 HB2 PHE 57 -14.867 -25.422 -18.191 444 HD1 PHE 57 HD1 PHE 57 -12.668 -22.426 -18.138 445 HD2 PHE 57 HD2 PHE 57 -13.913 -25.920 -20.213 446 HE1 PHE 57 HE1 PHE 57 -10.838 -22.110 -19.751 447 HE2 PHE 57 HE2 PHE 57 -12.101 -25.595 -21.852 448 HZ PHE 57 HZ PHE 57 -10.561 -23.688 -21.621 449 H GLY 58 H GLY 58 -15.501 -22.634 -15.915 450 HA2 GLY 58 HA3 GLY 58 -14.256 -20.097 -16.533 451 HA3 GLY 58 HA2 GLY 58 -15.898 -19.969 -15.916 452 H PHE 59 H PHE 59 -14.467 -18.737 -14.255 453 HA PHE 59 HA PHE 59 -13.829 -20.622 -12.100 454 HB2 PHE 59 HB3 PHE 59 -12.067 -18.373 -13.069 455 HB3 PHE 59 HB2 PHE 59 -11.866 -19.149 -11.503 456 HD1 PHE 59 HD1 PHE 59 -11.134 -21.481 -11.356 457 HD2 PHE 59 HD2 PHE 59 -11.414 -19.467 -15.092 458 HE1 PHE 59 HE1 PHE 59 -9.744 -23.223 -12.395 459 HE2 PHE 59 HE2 PHE 59 -10.022 -21.205 -16.139 460 HZ PHE 59 HZ PHE 59 -9.184 -23.083 -14.789 461 H VAL 60 H VAL 60 -13.902 -19.780 -10.021 462 HA VAL 60 HA VAL 60 -15.065 -17.154 -9.512 463 HB VAL 60 HB VAL 60 -17.166 -17.948 -9.550 464 HG11 VAL 60 HG11 VAL 60 -16.638 -19.952 -10.717 465 HG12 VAL 60 HG12 VAL 60 -17.779 -20.333 -9.426 466 HG13 VAL 60 HG13 VAL 60 -16.069 -20.718 -9.237 467 HG21 VAL 60 HG21 VAL 60 -16.334 -19.401 -7.053 468 HG22 VAL 60 HG22 VAL 60 -17.969 -18.891 -7.482 469 HG23 VAL 60 HG23 VAL 60 -16.722 -17.686 -7.155 470 H THR 61 H THR 61 -13.843 -16.397 -7.917 471 HA THR 61 HA THR 61 -12.738 -18.294 -5.956 472 HB THR 61 HB THR 61 -11.905 -15.424 -6.239 473 HG1 THR 61 HG1 THR 61 -11.299 -16.008 -8.223 474 HG21 THR 61 HG21 THR 61 -9.810 -16.235 -5.300 475 HG22 THR 61 HG22 THR 61 -10.433 -17.884 -5.303 476 HG23 THR 61 HG23 THR 61 -11.165 -16.667 -4.258 477 H TYR 62 H TYR 62 -13.871 -18.404 -4.129 478 HA TYR 62 HA TYR 62 -15.725 -16.353 -3.363 479 HB2 TYR 62 HB3 TYR 62 -14.829 -18.938 -2.098 480 HB3 TYR 62 HB2 TYR 62 -15.912 -17.831 -1.264 481 HD1 TYR 62 HD1 TYR 62 -18.198 -17.637 -1.888 482 HD2 TYR 62 HD2 TYR 62 -15.578 -20.077 -4.180 483 HE1 TYR 62 HE1 TYR 62 -20.132 -18.629 -3.031 484 HE2 TYR 62 HE2 TYR 62 -17.507 -21.074 -5.332 485 HH TYR 62 HH TYR 62 -20.669 -19.773 -5.060 486 H ALA 63 H ALA 63 -15.631 -15.893 -0.801 487 HA ALA 63 HA ALA 63 -13.242 -14.297 -0.478 488 HB1 ALA 63 HB1 ALA 63 -14.357 -13.503 1.582 489 HB2 ALA 63 HB2 ALA 63 -15.661 -14.657 1.294 490 HB3 ALA 63 HB3 ALA 63 -15.380 -13.342 0.154 491 H THR 64 H THR 64 -14.729 -17.161 0.879 492 HA THR 64 HA THR 64 -12.166 -17.911 2.038 493 HB THR 64 HB THR 64 -13.150 -16.887 3.935 494 HG1 THR 64 HG1 THR 64 -13.341 -18.640 5.330 495 HG21 THR 64 HG21 THR 64 -15.656 -18.482 3.425 496 HG22 THR 64 HG22 THR 64 -15.456 -16.766 3.069 497 HG23 THR 64 HG23 THR 64 -15.388 -17.336 4.738 498 H VAL 65 H VAL 65 -12.011 -20.175 2.513 499 HA VAL 65 HA VAL 65 -12.947 -21.781 0.451 500 HB VAL 65 HB VAL 65 -12.050 -23.694 1.724 501 HG11 VAL 65 HG11 VAL 65 -9.738 -22.898 1.822 502 HG12 VAL 65 HG12 VAL 65 -10.311 -21.232 1.748 503 HG13 VAL 65 HG13 VAL 65 -10.567 -22.316 0.380 504 HG21 VAL 65 HG21 VAL 65 -12.720 -23.031 3.968 505 HG22 VAL 65 HG22 VAL 65 -11.617 -21.658 3.910 506 HG23 VAL 65 HG23 VAL 65 -10.979 -23.301 3.899 507 H GLU 66 H GLU 66 -14.380 -21.173 3.589 508 HA GLU 66 HA GLU 66 -16.026 -23.465 3.670 509 HB2 GLU 66 HB3 GLU 66 -17.331 -22.226 5.369 510 HB3 GLU 66 HB2 GLU 66 -15.603 -22.236 5.690 511 HG2 GLU 66 HG3 GLU 66 -15.425 -19.976 4.786 512 HG3 GLU 66 HG2 GLU 66 -17.161 -19.967 4.479 513 H GLU 67 H GLU 67 -16.254 -20.545 1.881 514 HA GLU 67 HA GLU 67 -19.067 -20.864 1.294 515 HB2 GLU 67 HB3 GLU 67 -17.080 -19.164 -0.199 516 HB3 GLU 67 HB2 GLU 67 -18.826 -18.975 -0.134 517 HG2 GLU 67 HG3 GLU 67 -18.591 -18.485 2.303 518 HG3 GLU 67 HG2 GLU 67 -16.848 -18.474 2.057 519 H VAL 68 H VAL 68 -15.957 -21.461 -0.225 520 HA VAL 68 HA VAL 68 -16.777 -22.448 -2.697 521 HB VAL 68 HB VAL 68 -14.401 -23.122 -0.965 522 HG11 VAL 68 HG11 VAL 68 -15.072 -24.221 -3.686 523 HG12 VAL 68 HG12 VAL 68 -14.799 -25.133 -2.205 524 HG13 VAL 68 HG13 VAL 68 -13.462 -24.277 -2.975 525 HG21 VAL 68 HG21 VAL 68 -13.168 -21.914 -2.684 526 HG22 VAL 68 HG22 VAL 68 -14.451 -20.911 -2.004 527 HG23 VAL 68 HG23 VAL 68 -14.662 -21.664 -3.586 528 H ASP 69 H ASP 69 -16.163 -24.206 0.329 529 HA ASP 69 HA ASP 69 -16.961 -26.715 -0.657 530 HB2 ASP 69 HB3 ASP 69 -16.716 -25.630 2.142 531 HB3 ASP 69 HB2 ASP 69 -17.240 -27.281 1.822 532 H ALA 70 H ALA 70 -18.790 -24.074 0.778 533 HA ALA 70 HA ALA 70 -21.191 -25.486 1.225 534 HB1 ALA 70 HB1 ALA 70 -20.810 -22.570 0.548 535 HB2 ALA 70 HB2 ALA 70 -20.816 -23.274 2.167 536 HB3 ALA 70 HB3 ALA 70 -22.285 -23.295 1.188 537 H ALA 71 H ALA 71 -19.936 -23.756 -1.596 538 HA ALA 71 HA ALA 71 -22.184 -24.196 -3.260 539 HB1 ALA 71 HB1 ALA 71 -19.297 -23.770 -4.033 540 HB2 ALA 71 HB2 ALA 71 -20.493 -22.501 -3.763 541 HB3 ALA 71 HB3 ALA 71 -20.688 -23.624 -5.108 542 H MET 72 H MET 72 -19.305 -26.067 -2.518 543 HA MET 72 HA MET 72 -19.697 -28.059 -4.503 544 HB2 MET 72 HB3 MET 72 -18.245 -28.280 -1.859 545 HB3 MET 72 HB2 MET 72 -18.114 -29.409 -3.196 546 HG2 MET 72 HG3 MET 72 -17.204 -27.509 -4.577 547 HG3 MET 72 HG2 MET 72 -17.162 -26.565 -3.094 548 HE1 MET 72 HE1 MET 72 -14.523 -26.407 -4.158 549 HE2 MET 72 HE2 MET 72 -14.819 -27.728 -5.288 550 HE3 MET 72 HE3 MET 72 -13.456 -27.811 -4.171 551 H ASN 73 H ASN 73 -20.841 -27.643 -1.204 552 HA ASN 73 HA ASN 73 -22.028 -30.233 -0.964 553 HB2 ASN 73 HB3 ASN 73 -22.344 -27.652 0.547 554 HB3 ASN 73 HB2 ASN 73 -23.423 -29.007 0.856 555 HD21 ASN 73 HD21 ASN 73 -20.253 -27.728 1.245 556 HD22 ASN 73 HD22 ASN 73 -19.645 -28.980 2.269 557 H ALA 74 H ALA 74 -22.814 -27.523 -2.766 558 HA ALA 74 HA ALA 74 -25.692 -28.009 -2.699 559 HB1 ALA 74 HB1 ALA 74 -24.137 -25.822 -4.072 560 HB2 ALA 74 HB2 ALA 74 -24.858 -25.701 -2.465 561 HB3 ALA 74 HB3 ALA 74 -25.889 -25.906 -3.886 562 H ARG 75 H ARG 75 -23.464 -29.641 -4.105 563 HA ARG 75 HA ARG 75 -24.174 -29.455 -6.890 564 HB2 ARG 75 HB3 ARG 75 -22.659 -31.309 -7.230 565 HB3 ARG 75 HB2 ARG 75 -21.905 -30.150 -6.147 566 HG2 ARG 75 HG3 ARG 75 -22.578 -31.581 -4.234 567 HG3 ARG 75 HG2 ARG 75 -23.178 -32.771 -5.390 568 HD2 ARG 75 HD3 ARG 75 -20.336 -31.777 -5.189 569 HD3 ARG 75 HD2 ARG 75 -20.928 -33.326 -4.594 570 HE ARG 75 HE ARG 75 -21.265 -32.759 -7.442 571 HH11 ARG 75 HH11 ARG 75 -19.508 -34.425 -4.914 572 HH12 ARG 75 HH12 ARG 75 -18.747 -35.550 -6.001 573 HH21 ARG 75 HH21 ARG 75 -20.270 -34.233 -8.881 574 HH22 ARG 75 HH22 ARG 75 -19.200 -35.453 -8.263 575 HA PRO 76 HA PRO 76 -24.162 -31.111 -8.677 576 HB2 PRO 76 HB3 PRO 76 -26.702 -31.211 -10.130 577 HB3 PRO 76 HB2 PRO 76 -25.244 -32.179 -10.361 578 HG2 PRO 76 HG3 PRO 76 -27.521 -33.217 -9.353 579 HG3 PRO 76 HG2 PRO 76 -25.916 -33.790 -8.864 580 HD2 PRO 76 HD3 PRO 76 -27.780 -31.927 -7.438 581 HD3 PRO 76 HD2 PRO 76 -26.782 -33.242 -6.783 582 H HIS 77 H HIS 77 -23.632 -29.100 -9.069 583 HA HIS 77 HA HIS 77 -25.291 -26.901 -8.337 584 HB2 HIS 77 HB3 HIS 77 -22.719 -27.089 -8.296 585 HB3 HIS 77 HB2 HIS 77 -22.794 -26.731 -10.018 586 HD2 HIS 77 HD2 HIS 77 -22.428 -24.917 -6.796 587 HE1 HIS 77 HE1 HIS 77 -24.100 -22.140 -9.529 588 HE2 HIS 77 HE2 HIS 77 -22.847 -22.410 -7.337 589 H LYS 78 H LYS 78 -26.132 -25.260 -9.730 590 HA LYS 78 HA LYS 78 -26.489 -26.086 -12.530 591 HB2 LYS 78 HB3 LYS 78 -28.510 -26.635 -11.164 592 HB3 LYS 78 HB2 LYS 78 -28.669 -24.929 -10.780 593 HG2 LYS 78 HG3 LYS 78 -30.143 -25.136 -12.511 594 HG3 LYS 78 HG2 LYS 78 -28.686 -24.631 -13.367 595 HD2 LYS 78 HD3 LYS 78 -29.316 -26.401 -14.669 596 HD3 LYS 78 HD2 LYS 78 -28.280 -27.232 -13.507 597 HE2 LYS 78 HE3 LYS 78 -31.282 -27.009 -13.331 598 HE3 LYS 78 HE2 LYS 78 -30.399 -28.425 -13.898 599 HZ1 LYS 78 HZ1 LYS 78 -31.043 -28.731 -11.622 600 HZ2 LYS 78 HZ2 LYS 78 -30.331 -27.265 -11.164 601 HZ3 LYS 78 HZ3 LYS 78 -29.355 -28.552 -11.683 602 H VAL 79 H VAL 79 -25.521 -24.576 -13.717 603 HA VAL 79 HA VAL 79 -25.995 -21.740 -13.030 604 HB VAL 79 HB VAL 79 -23.517 -22.916 -14.299 605 HG11 VAL 79 HG11 VAL 79 -22.612 -20.639 -14.212 606 HG12 VAL 79 HG12 VAL 79 -24.170 -20.048 -13.632 607 HG13 VAL 79 HG13 VAL 79 -24.034 -20.733 -15.251 608 HG21 VAL 79 HG21 VAL 79 -22.372 -22.139 -12.297 609 HG22 VAL 79 HG22 VAL 79 -23.609 -23.338 -11.924 610 HG23 VAL 79 HG23 VAL 79 -23.916 -21.626 -11.617 611 H ASP 80 H ASP 80 -27.098 -20.683 -14.528 612 HA ASP 80 HA ASP 80 -28.181 -20.153 -16.455 613 HB2 ASP 80 HB3 ASP 80 -25.801 -19.927 -17.288 614 HB3 ASP 80 HB2 ASP 80 -25.929 -21.573 -17.898 615 H GLY 81 H GLY 81 -28.819 -22.613 -15.099 616 HA2 GLY 81 HA3 GLY 81 -30.218 -24.417 -15.429 617 HA3 GLY 81 HA2 GLY 81 -30.432 -23.872 -17.087 618 H ARG 82 H ARG 82 -27.252 -24.410 -15.904 619 HA ARG 82 HA ARG 82 -27.094 -26.926 -17.410 620 HB2 ARG 82 HB3 ARG 82 -26.025 -24.968 -18.539 621 HB3 ARG 82 HB2 ARG 82 -24.957 -24.801 -17.154 622 HG2 ARG 82 HG3 ARG 82 -23.876 -25.943 -19.016 623 HG3 ARG 82 HG2 ARG 82 -24.009 -26.977 -17.591 624 HD2 ARG 82 HD3 ARG 82 -24.576 -28.067 -19.795 625 HD3 ARG 82 HD2 ARG 82 -25.794 -28.206 -18.525 626 HE ARG 82 HE ARG 82 -26.394 -25.935 -20.044 627 HH11 ARG 82 HH11 ARG 82 -26.226 -29.404 -20.499 628 HH12 ARG 82 HH12 ARG 82 -27.539 -29.443 -21.641 629 HH21 ARG 82 HH21 ARG 82 -28.098 -25.974 -21.535 630 HH22 ARG 82 HH22 ARG 82 -28.613 -27.483 -22.224 631 H VAL 83 H VAL 83 -26.366 -28.613 -16.272 632 HA VAL 83 HA VAL 83 -25.597 -28.332 -13.537 633 HB VAL 83 HB VAL 83 -25.342 -30.776 -15.303 634 HG11 VAL 83 HG11 VAL 83 -24.045 -30.928 -13.249 635 HG12 VAL 83 HG12 VAL 83 -25.426 -32.023 -13.198 636 HG13 VAL 83 HG13 VAL 83 -25.471 -30.505 -12.302 637 HG21 VAL 83 HG21 VAL 83 -27.640 -29.898 -13.556 638 HG22 VAL 83 HG22 VAL 83 -27.511 -31.457 -14.372 639 HG23 VAL 83 HG23 VAL 83 -27.632 -29.973 -15.318 640 H VAL 84 H VAL 84 -23.681 -27.432 -13.063 641 HA VAL 84 HA VAL 84 -21.384 -28.032 -14.781 642 HB VAL 84 HB VAL 84 -20.269 -26.143 -13.716 643 HG11 VAL 84 HG11 VAL 84 -21.638 -25.699 -15.671 644 HG12 VAL 84 HG12 VAL 84 -21.713 -24.340 -14.549 645 HG13 VAL 84 HG13 VAL 84 -23.059 -25.476 -14.650 646 HG21 VAL 84 HG21 VAL 84 -21.234 -26.322 -11.485 647 HG22 VAL 84 HG22 VAL 84 -22.808 -25.829 -12.112 648 HG23 VAL 84 HG23 VAL 84 -21.455 -24.696 -12.134 649 H GLU 85 H GLU 85 -19.254 -28.164 -13.568 650 HA GLU 85 HA GLU 85 -19.596 -29.651 -11.051 651 HB2 GLU 85 HB3 GLU 85 -19.068 -31.181 -12.921 652 HB3 GLU 85 HB2 GLU 85 -17.599 -30.268 -13.238 653 HG2 GLU 85 HG3 GLU 85 -16.679 -30.905 -11.115 654 HG3 GLU 85 HG2 GLU 85 -18.190 -31.687 -10.652 655 HA PRO 86 HA PRO 86 -16.717 -26.373 -10.024 656 HB2 PRO 86 HB3 PRO 86 -17.691 -26.019 -7.507 657 HB3 PRO 86 HB2 PRO 86 -18.441 -25.337 -8.948 658 HG2 PRO 86 HG3 PRO 86 -19.387 -27.479 -7.218 659 HG3 PRO 86 HG2 PRO 86 -20.267 -26.578 -8.460 660 HD2 PRO 86 HD3 PRO 86 -19.050 -29.216 -8.617 661 HD3 PRO 86 HD2 PRO 86 -20.134 -28.415 -9.772 662 H LYS 87 H LYS 87 -14.693 -27.061 -9.680 663 HA LYS 87 HA LYS 87 -14.181 -28.754 -7.314 664 HB2 LYS 87 HB3 LYS 87 -12.717 -28.824 -9.959 665 HB3 LYS 87 HB2 LYS 87 -12.321 -29.791 -8.545 666 HG2 LYS 87 HG3 LYS 87 -14.581 -30.825 -8.703 667 HG3 LYS 87 HG2 LYS 87 -14.816 -29.953 -10.219 668 HD2 LYS 87 HD3 LYS 87 -12.646 -31.971 -9.644 669 HD3 LYS 87 HD2 LYS 87 -14.082 -32.242 -10.632 670 HE2 LYS 87 HE3 LYS 87 -13.339 -30.585 -12.230 671 HE3 LYS 87 HE2 LYS 87 -11.955 -30.184 -11.213 672 HZ1 LYS 87 HZ1 LYS 87 -12.454 -32.771 -12.586 673 HZ2 LYS 87 HZ2 LYS 87 -11.180 -32.493 -11.502 674 HZ3 LYS 87 HZ3 LYS 87 -11.252 -31.634 -12.964 675 H ARG 88 H ARG 88 -11.995 -28.514 -6.396 676 HA ARG 88 HA ARG 88 -11.262 -25.824 -5.969 677 HB2 ARG 88 HB3 ARG 88 -10.583 -28.332 -4.894 678 HB3 ARG 88 HB2 ARG 88 -9.071 -27.664 -5.486 679 HG2 ARG 88 HG3 ARG 88 -9.301 -27.066 -3.193 680 HG3 ARG 88 HG2 ARG 88 -9.540 -25.606 -4.157 681 HD2 ARG 88 HD3 ARG 88 -11.867 -25.642 -3.825 682 HD3 ARG 88 HD2 ARG 88 -11.841 -27.303 -3.239 683 HE ARG 88 HE ARG 88 -10.490 -25.229 -1.665 684 HH11 ARG 88 HH11 ARG 88 -13.057 -27.576 -2.025 685 HH12 ARG 88 HH12 ARG 88 -13.637 -27.400 -0.394 686 HH21 ARG 88 HH21 ARG 88 -11.209 -25.033 0.512 687 HH22 ARG 88 HH22 ARG 88 -12.594 -25.947 1.044 688 H ALA 89 H ALA 89 -9.978 -24.484 -7.116 689 HA ALA 89 HA ALA 89 -9.055 -25.306 -9.680 690 HB1 ALA 89 HB1 ALA 89 -9.936 -23.066 -9.254 691 HB2 ALA 89 HB2 ALA 89 -8.316 -23.015 -9.948 692 HB3 ALA 89 HB3 ALA 89 -8.548 -22.721 -8.225 693 H VAL 90 H VAL 90 -6.935 -25.184 -10.505 694 HA VAL 90 HA VAL 90 -4.842 -25.828 -8.545 695 HB VAL 90 HB VAL 90 -4.865 -26.343 -11.531 696 HG11 VAL 90 HG11 VAL 90 -2.994 -27.336 -9.382 697 HG12 VAL 90 HG12 VAL 90 -2.613 -26.149 -10.630 698 HG13 VAL 90 HG13 VAL 90 -2.961 -27.817 -11.079 699 HG21 VAL 90 HG21 VAL 90 -6.582 -27.663 -10.433 700 HG22 VAL 90 HG22 VAL 90 -5.407 -28.246 -9.255 701 HG23 VAL 90 HG23 VAL 90 -5.252 -28.695 -10.954 702 H SER 91 H SER 91 -2.902 -24.689 -8.567 703 HA SER 91 HA SER 91 -2.956 -21.999 -9.230 704 HB2 SER 91 HB3 SER 91 -0.350 -22.323 -9.035 705 HB3 SER 91 HB2 SER 91 -1.379 -22.548 -7.619 706 HG SER 91 HG SER 91 0.301 -24.271 -8.462 707 H ARG 92 H ARG 92 -2.819 -20.966 -11.107 708 HA ARG 92 HA ARG 92 -2.284 -22.262 -13.566 709 HB2 ARG 92 HB3 ARG 92 -2.294 -19.979 -14.553 710 HB3 ARG 92 HB2 ARG 92 -3.704 -20.304 -13.556 711 HG2 ARG 92 HG3 ARG 92 -1.433 -19.025 -12.184 712 HG3 ARG 92 HG2 ARG 92 -2.248 -18.054 -13.412 713 HD2 ARG 92 HD3 ARG 92 -4.303 -18.160 -12.296 714 HD3 ARG 92 HD2 ARG 92 -3.790 -19.512 -11.290 715 HE ARG 92 HE ARG 92 -2.106 -17.707 -10.414 716 HH11 ARG 92 HH11 ARG 92 -5.458 -17.177 -11.301 717 HH12 ARG 92 HH12 ARG 92 -5.737 -15.981 -10.069 718 HH21 ARG 92 HH21 ARG 92 -2.456 -16.120 -8.808 719 HH22 ARG 92 HH22 ARG 92 -4.006 -15.332 -8.690 720 H GLU 93 H GLU 93 -0.318 -20.807 -11.187 721 HA GLU 93 HA GLU 93 2.013 -20.286 -12.685 722 HB2 GLU 93 HB3 GLU 93 1.681 -21.102 -9.789 723 HB3 GLU 93 HB2 GLU 93 3.174 -20.500 -10.490 724 HG2 GLU 93 HG3 GLU 93 2.152 -18.716 -9.309 725 HG3 GLU 93 HG2 GLU 93 1.993 -18.379 -11.028 726 H ASP 94 H ASP 94 0.808 -23.158 -11.024 727 HA ASP 94 HA ASP 94 3.016 -24.830 -11.778 728 HB2 ASP 94 HB3 ASP 94 0.339 -25.279 -10.510 729 HB3 ASP 94 HB2 ASP 94 1.214 -26.658 -11.163 730 H SER 95 H SER 95 -0.219 -24.191 -12.949 731 HA SER 95 HA SER 95 -0.445 -26.200 -14.861 732 HB2 SER 95 HB3 SER 95 -2.305 -24.753 -14.086 733 HB3 SER 95 HB2 SER 95 -1.600 -23.403 -14.972 734 HG SER 95 HG SER 95 -2.885 -24.139 -16.485 735 H GLN 96 H GLN 96 0.817 -22.893 -15.181 736 HA GLN 96 HA GLN 96 1.838 -21.781 -16.888 737 HB2 GLN 96 HB3 GLN 96 3.943 -22.838 -17.649 738 HB3 GLN 96 HB2 GLN 96 3.736 -22.881 -15.907 739 HG2 GLN 96 HG3 GLN 96 3.277 -25.183 -15.914 740 HG3 GLN 96 HG2 GLN 96 3.031 -25.208 -17.660 741 HE21 GLN 96 HE21 GLN 96 4.782 -25.161 -19.019 742 HE22 GLN 96 HE22 GLN 96 6.389 -25.519 -18.473 743 H ARG 97 H ARG 97 -0.468 -22.973 -17.768 744 HA ARG 97 HA ARG 97 0.118 -24.133 -20.387 745 HB2 ARG 97 HB3 ARG 97 -1.449 -25.293 -18.823 746 HB3 ARG 97 HB2 ARG 97 -2.510 -23.897 -18.909 747 HG2 ARG 97 HG3 ARG 97 -2.805 -24.282 -21.311 748 HG3 ARG 97 HG2 ARG 97 -1.764 -25.705 -21.196 749 HD2 ARG 97 HD3 ARG 97 -3.334 -26.635 -19.505 750 HD3 ARG 97 HD2 ARG 97 -4.402 -25.266 -19.806 751 HE ARG 97 HE ARG 97 -3.782 -26.619 -22.224 752 HH11 ARG 97 HH11 ARG 97 -5.737 -26.833 -19.330 753 HH12 ARG 97 HH12 ARG 97 -6.917 -27.884 -20.048 754 HH21 ARG 97 HH21 ARG 97 -5.341 -28.018 -23.177 755 HH22 ARG 97 HH22 ARG 97 -6.706 -28.543 -22.227 756 H5' U 1 H5' U 1 -18.086 -30.851 -21.029 757 H5'' U 1 H5'' U 1 -17.034 -29.604 -20.341 758 H4' U 1 H4' U 1 -16.399 -30.566 -22.599 759 H3' U 1 H3' U 1 -15.619 -28.236 -21.652 760 H2' U 1 H2' U 1 -17.607 -26.967 -22.194 761 HO2' U 1 HO2' U 1 -15.779 -25.966 -23.233 762 H1' U 1 H1' U 1 -17.668 -28.180 -24.995 763 H3 U 1 H3 U 1 -21.955 -27.373 -25.911 764 H5 U 1 H5 U 1 -21.628 -26.263 -21.875 765 H6 U 1 H6 U 1 -19.367 -27.095 -21.909 766 HO5' U 1 HO5' U 1 -19.573 -29.333 -21.558 767 H5' U 2 H5' U 2 -14.927 -28.316 -20.284 768 H5'' U 2 H5'' U 2 -13.986 -26.958 -20.927 769 H4' U 2 H4' U 2 -12.381 -27.162 -19.404 770 H3' U 2 H3' U 2 -11.774 -29.587 -20.314 771 H2' U 2 H2' U 2 -13.637 -30.749 -19.263 772 HO2' U 2 HO2' U 2 -11.328 -30.782 -17.613 773 H1' U 2 H1' U 2 -12.994 -29.195 -16.691 774 H3 U 2 H3 U 2 -16.383 -31.009 -14.445 775 H5 U 2 H5 U 2 -17.928 -30.702 -18.335 776 H6 U 2 H6 U 2 -15.788 -29.840 -19.034 777 H5' A 3 H5' A 3 -11.261 -24.974 -17.962 778 H5'' A 3 H5'' A 3 -10.407 -25.249 -19.491 779 H4' A 3 H4' A 3 -9.473 -23.380 -18.208 780 H3' A 3 H3' A 3 -7.928 -24.965 -19.626 781 H2' A 3 H2' A 3 -7.795 -26.756 -17.957 782 HO2' A 3 HO2' A 3 -5.621 -26.072 -16.816 783 H1' A 3 H1' A 3 -7.088 -24.614 -15.878 784 H8 A 3 H8 A 3 -8.005 -28.170 -16.583 785 H61 A 3 H61 A 3 -9.048 -29.632 -12.069 786 H62 A 3 H62 A 3 -9.242 -28.787 -10.550 787 H2 A 3 H2 A 3 -8.593 -24.432 -11.403 788 H5' G 4 H5' G 4 -8.316 -21.909 -18.861 789 H5'' G 4 H5'' G 4 -8.699 -20.839 -20.222 790 H4' G 4 H4' G 4 -7.791 -19.103 -19.238 791 H3' G 4 H3' G 4 -5.348 -20.565 -19.424 792 H2' G 4 H2' G 4 -5.125 -20.904 -17.077 793 HO2' G 4 HO2' G 4 -4.216 -18.470 -17.837 794 H1' G 4 H1' G 4 -6.929 -18.429 -16.732 795 H8 G 4 H8 G 4 -7.735 -18.126 -14.369 796 H1 G 4 H1 G 4 -5.967 -24.055 -12.689 797 H21 G 4 H21 G 4 -5.012 -24.385 -16.007 798 H22 G 4 H22 G 4 -5.135 -25.125 -14.428 799 H5' G 5 H5' G 5 -6.522 -16.324 -18.836 800 H5'' G 5 H5'' G 5 -7.953 -17.352 -18.629 801 H4' G 5 H4' G 5 -8.678 -15.327 -20.433 802 H3' G 5 H3' G 5 -6.767 -14.226 -18.496 803 H2' G 5 H2' G 5 -8.261 -12.707 -17.460 804 HO2' G 5 HO2' G 5 -9.749 -11.751 -18.633 805 H1' G 5 H1' G 5 -10.530 -14.270 -17.332 806 H8 G 5 H8 G 5 -7.795 -16.736 -16.909 807 H1 G 5 H1 G 5 -9.036 -13.416 -11.570 808 H21 G 5 H21 G 5 -10.810 -11.297 -13.657 809 H22 G 5 H22 G 5 -10.281 -11.668 -12.030 810 H5' U 6 H5' U 6 -5.098 -12.856 -17.968 811 H5'' U 6 H5'' U 6 -4.870 -11.816 -19.386 812 H4' U 6 H4' U 6 -2.718 -11.759 -18.978 813 H3' U 6 H3' U 6 -2.687 -13.959 -20.439 814 H2' U 6 H2' U 6 -3.214 -15.571 -18.726 815 HO2' U 6 HO2' U 6 -0.448 -15.195 -19.017 816 H1' U 6 H1' U 6 -1.321 -14.262 -16.735 817 H3 U 6 H3 U 6 -3.132 -16.056 -13.107 818 H5 U 6 H5 U 6 -6.142 -16.597 -15.983 819 H6 U 6 H6 U 6 -4.761 -15.398 -17.545 820 H5' C 7 H5' C 7 2.025 -10.619 -19.287 821 H5'' C 7 H5'' C 7 1.550 -12.329 -19.239 822 H4' C 7 H4' C 7 1.930 -11.413 -17.013 823 H3' C 7 H3' C 7 -0.851 -12.369 -17.646 824 HO3' C 7 HO3' C 7 1.006 -13.363 -15.815 825 H2' C 7 H2' C 7 -1.499 -11.782 -15.409 826 HO2' C 7 HO2' C 7 1.308 -11.489 -14.983 827 H1' C 7 H1' C 7 -0.109 -9.338 -15.351 828 H41 C 7 H41 C 7 -6.099 -8.528 -17.983 829 H42 C 7 H42 C 7 -5.375 -6.936 -17.986 830 H5 C 7 H5 C 7 -4.878 -10.525 -17.348 831 H6 C 7 H6 C 7 -2.726 -11.393 -16.611 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 6.442 -3.155 1.867 2 H2 ALA 1 H2 ALA 1 7.198 -2.831 0.387 3 H3 ALA 1 H3 ALA 1 7.091 -1.617 1.567 4 HA ALA 1 HA ALA 1 9.310 -2.499 1.512 5 HB1 ALA 1 HB1 ALA 1 8.387 -1.769 3.663 6 HB2 ALA 1 HB2 ALA 1 9.527 -3.099 3.864 7 HB3 ALA 1 HB3 ALA 1 7.793 -3.401 3.958 8 H SER 2 H SER 2 10.742 -4.294 1.797 9 HA SER 2 HA SER 2 9.737 -6.695 0.596 10 HB2 SER 2 HB3 SER 2 12.472 -6.090 1.747 11 HB3 SER 2 HB2 SER 2 12.066 -7.469 0.722 12 HG SER 2 HG SER 2 11.341 -5.794 -0.841 13 H LYS 3 H LYS 3 9.421 -8.662 1.482 14 HA LYS 3 HA LYS 3 8.785 -10.181 3.033 15 HB2 LYS 3 HB3 LYS 3 11.272 -9.985 3.559 16 HB3 LYS 3 HB2 LYS 3 10.809 -8.940 4.896 17 HG2 LYS 3 HG3 LYS 3 9.436 -10.780 5.809 18 HG3 LYS 3 HG2 LYS 3 10.017 -11.819 4.507 19 HD2 LYS 3 HD3 LYS 3 11.722 -10.480 6.608 20 HD3 LYS 3 HD2 LYS 3 11.277 -12.186 6.571 21 HE2 LYS 3 HE3 LYS 3 12.892 -10.751 4.465 22 HE3 LYS 3 HE2 LYS 3 13.557 -11.782 5.731 23 HZ1 LYS 3 HZ1 LYS 3 13.360 -12.980 3.658 24 HZ2 LYS 3 HZ2 LYS 3 11.700 -12.650 3.573 25 HZ3 LYS 3 HZ3 LYS 3 12.304 -13.644 4.808 26 H SER 4 H SER 4 7.016 -8.303 2.876 27 HA SER 4 HA SER 4 6.428 -7.324 5.575 28 HB2 SER 4 HB3 SER 4 6.220 -5.728 3.684 29 HB3 SER 4 HB2 SER 4 5.010 -6.778 2.950 30 HG SER 4 HG SER 4 4.832 -5.158 5.241 31 H GLU 5 H GLU 5 4.471 -7.872 6.616 32 HA GLU 5 HA GLU 5 3.568 -10.531 6.084 33 HB2 GLU 5 HB3 GLU 5 2.844 -8.438 8.108 34 HB3 GLU 5 HB2 GLU 5 1.871 -9.892 7.942 35 HG2 GLU 5 HG3 GLU 5 4.832 -9.914 8.449 36 HG3 GLU 5 HG2 GLU 5 3.612 -9.973 9.722 37 H SER 6 H SER 6 2.787 -10.226 3.925 38 HA SER 6 HA SER 6 0.223 -8.860 3.691 39 HB2 SER 6 HB3 SER 6 1.815 -10.400 1.622 40 HB3 SER 6 HB2 SER 6 0.378 -9.429 1.308 41 HG SER 6 HG SER 6 1.521 -7.650 1.448 42 HA PRO 7 HA PRO 7 -1.479 -12.903 4.772 43 HB2 PRO 7 HB3 PRO 7 -3.958 -11.513 5.293 44 HB3 PRO 7 HB2 PRO 7 -2.862 -12.274 6.448 45 HG2 PRO 7 HG3 PRO 7 -3.262 -9.573 6.287 46 HG3 PRO 7 HG2 PRO 7 -1.773 -10.317 6.897 47 HD2 PRO 7 HD3 PRO 7 -2.344 -9.149 4.199 48 HD3 PRO 7 HD2 PRO 7 -0.876 -9.027 5.193 49 H LYS 8 H LYS 8 -1.803 -13.990 2.906 50 HA LYS 8 HA LYS 8 -4.245 -13.365 1.453 51 HB2 LYS 8 HB3 LYS 8 -3.281 -13.386 -0.710 52 HB3 LYS 8 HB2 LYS 8 -2.314 -12.281 0.245 53 HG2 LYS 8 HG3 LYS 8 -1.549 -15.120 -0.402 54 HG3 LYS 8 HG2 LYS 8 -0.988 -13.696 -1.273 55 HD2 LYS 8 HD3 LYS 8 0.133 -12.880 0.705 56 HD3 LYS 8 HD2 LYS 8 -0.526 -14.209 1.663 57 HE2 LYS 8 HE3 LYS 8 0.677 -15.803 0.219 58 HE3 LYS 8 HE2 LYS 8 1.384 -14.448 -0.656 59 HZ1 LYS 8 HZ1 LYS 8 2.868 -15.377 1.043 60 HZ2 LYS 8 HZ2 LYS 8 1.751 -14.965 2.247 61 HZ3 LYS 8 HZ3 LYS 8 2.507 -13.748 1.339 62 H GLU 9 H GLU 9 -5.411 -15.097 1.734 63 HA GLU 9 HA GLU 9 -4.280 -17.726 1.899 64 HB2 GLU 9 HB3 GLU 9 -7.145 -16.789 1.621 65 HB3 GLU 9 HB2 GLU 9 -6.668 -18.463 1.883 66 HG2 GLU 9 HG3 GLU 9 -5.689 -17.886 4.018 67 HG3 GLU 9 HG2 GLU 9 -6.055 -16.183 3.750 68 HA PRO 10 HA PRO 10 -3.369 -18.624 -2.228 69 HB2 PRO 10 HB3 PRO 10 -4.926 -21.129 -1.714 70 HB3 PRO 10 HB2 PRO 10 -3.342 -20.928 -2.473 71 HG2 PRO 10 HG3 PRO 10 -3.540 -21.721 0.060 72 HG3 PRO 10 HG2 PRO 10 -2.265 -20.597 -0.446 73 HD2 PRO 10 HD3 PRO 10 -4.713 -20.083 1.146 74 HD3 PRO 10 HD2 PRO 10 -3.155 -19.235 1.160 75 H GLU 11 H GLU 11 -4.368 -17.477 -3.717 76 HA GLU 11 HA GLU 11 -7.120 -17.204 -4.106 77 HB2 GLU 11 HB3 GLU 11 -5.743 -15.547 -5.043 78 HB3 GLU 11 HB2 GLU 11 -4.695 -16.721 -5.816 79 HG2 GLU 11 HG3 GLU 11 -7.494 -16.645 -6.751 80 HG3 GLU 11 HG2 GLU 11 -6.491 -15.243 -7.128 81 H GLN 12 H GLN 12 -4.788 -19.421 -5.525 82 HA GLN 12 HA GLN 12 -6.389 -20.742 -7.350 83 HB2 GLN 12 HB3 GLN 12 -4.222 -21.432 -7.519 84 HB3 GLN 12 HB2 GLN 12 -3.963 -21.401 -5.781 85 HG2 GLN 12 HG3 GLN 12 -5.192 -23.490 -5.561 86 HG3 GLN 12 HG2 GLN 12 -5.467 -23.515 -7.300 87 HE21 GLN 12 HE21 GLN 12 -4.452 -25.513 -7.394 88 HE22 GLN 12 HE22 GLN 12 -2.725 -25.657 -7.346 89 H LEU 13 H LEU 13 -6.028 -21.391 -3.869 90 HA LEU 13 HA LEU 13 -7.662 -23.745 -4.041 91 HB2 LEU 13 HB3 LEU 13 -6.414 -24.264 -2.291 92 HB3 LEU 13 HB2 LEU 13 -5.817 -22.624 -2.171 93 HG LEU 13 HG LEU 13 -8.494 -23.201 -0.998 94 HD11 LEU 13 HD11 LEU 13 -5.885 -24.010 0.281 95 HD12 LEU 13 HD12 LEU 13 -7.160 -25.102 -0.260 96 HD13 LEU 13 HD13 LEU 13 -7.460 -23.987 1.073 97 HD21 LEU 13 HD21 LEU 13 -7.704 -21.583 0.662 98 HD22 LEU 13 HD22 LEU 13 -7.574 -20.937 -0.974 99 HD23 LEU 13 HD23 LEU 13 -6.134 -21.524 -0.141 100 H ARG 14 H ARG 14 -8.261 -20.422 -3.525 101 HA ARG 14 HA ARG 14 -10.886 -20.962 -2.360 102 HB2 ARG 14 HB3 ARG 14 -9.361 -18.412 -2.857 103 HB3 ARG 14 HB2 ARG 14 -11.057 -18.412 -2.389 104 HG2 ARG 14 HG3 ARG 14 -10.431 -19.717 -0.365 105 HG3 ARG 14 HG2 ARG 14 -8.739 -19.507 -0.818 106 HD2 ARG 14 HD3 ARG 14 -10.666 -17.240 -0.351 107 HD3 ARG 14 HD2 ARG 14 -9.567 -17.873 0.873 108 HE ARG 14 HE ARG 14 -7.879 -17.284 -1.116 109 HH11 ARG 14 HH11 ARG 14 -10.484 -15.444 0.321 110 HH12 ARG 14 HH12 ARG 14 -9.715 -13.907 0.067 111 HH21 ARG 14 HH21 ARG 14 -6.852 -15.268 -1.444 112 HH22 ARG 14 HH22 ARG 14 -7.651 -13.804 -0.939 113 H LYS 15 H LYS 15 -9.419 -20.428 -5.383 114 HA LYS 15 HA LYS 15 -11.763 -19.516 -6.733 115 HB2 LYS 15 HB3 LYS 15 -9.641 -18.896 -7.602 116 HB3 LYS 15 HB2 LYS 15 -9.084 -20.561 -7.609 117 HG2 LYS 15 HG3 LYS 15 -10.555 -21.104 -9.414 118 HG3 LYS 15 HG2 LYS 15 -11.294 -19.501 -9.343 119 HD2 LYS 15 HD3 LYS 15 -8.347 -19.790 -9.757 120 HD3 LYS 15 HD2 LYS 15 -9.459 -19.982 -11.114 121 HE2 LYS 15 HE3 LYS 15 -8.740 -17.713 -11.060 122 HE3 LYS 15 HE2 LYS 15 -10.420 -17.776 -10.551 123 HZ1 LYS 15 HZ1 LYS 15 -9.157 -16.268 -9.183 124 HZ2 LYS 15 HZ2 LYS 15 -8.076 -17.509 -8.756 125 HZ3 LYS 15 HZ3 LYS 15 -9.699 -17.582 -8.260 126 H LEU 16 H LEU 16 -13.358 -20.700 -7.491 127 HA LEU 16 HA LEU 16 -13.146 -23.604 -7.531 128 HB2 LEU 16 HB3 LEU 16 -15.324 -21.621 -7.500 129 HB3 LEU 16 HB2 LEU 16 -15.640 -23.046 -8.460 130 HG LEU 16 HG LEU 16 -15.008 -22.945 -5.511 131 HD11 LEU 16 HD11 LEU 16 -17.305 -22.336 -6.230 132 HD12 LEU 16 HD12 LEU 16 -17.232 -23.775 -5.215 133 HD13 LEU 16 HD13 LEU 16 -17.454 -23.932 -6.958 134 HD21 LEU 16 HD21 LEU 16 -15.433 -25.333 -7.299 135 HD22 LEU 16 HD22 LEU 16 -15.328 -25.374 -5.539 136 HD23 LEU 16 HD23 LEU 16 -13.929 -24.884 -6.496 137 H PHE 17 H PHE 17 -12.847 -24.744 -9.293 138 HA PHE 17 HA PHE 17 -12.791 -23.453 -11.903 139 HB2 PHE 17 HB3 PHE 17 -10.954 -24.969 -11.350 140 HB3 PHE 17 HB2 PHE 17 -12.094 -26.266 -11.018 141 HD1 PHE 17 HD1 PHE 17 -11.915 -27.916 -12.584 142 HD2 PHE 17 HD2 PHE 17 -11.703 -23.860 -13.853 143 HE1 PHE 17 HE1 PHE 17 -11.770 -28.659 -14.921 144 HE2 PHE 17 HE2 PHE 17 -11.555 -24.596 -16.195 145 HZ PHE 17 HZ PHE 17 -11.587 -26.997 -16.734 146 H ILE 18 H ILE 18 -14.621 -23.330 -13.012 147 HA ILE 18 HA ILE 18 -16.717 -25.330 -12.480 148 HB ILE 18 HB ILE 18 -17.130 -22.624 -13.745 149 HG12 ILE 18 HG12 ILE 18 -16.203 -22.197 -11.554 150 HG13 ILE 18 HG13 ILE 18 -17.931 -21.874 -11.506 151 HG21 ILE 18 HG21 ILE 18 -19.455 -22.967 -13.043 152 HG22 ILE 18 HG22 ILE 18 -19.016 -24.549 -12.397 153 HG23 ILE 18 HG23 ILE 18 -18.897 -24.240 -14.129 154 HD11 ILE 18 HD11 ILE 18 -17.197 -23.019 -9.506 155 HD12 ILE 18 HD12 ILE 18 -16.565 -24.347 -10.478 156 HD13 ILE 18 HD13 ILE 18 -18.301 -24.035 -10.434 157 H GLY 19 H GLY 19 -16.304 -26.890 -14.000 158 HA2 GLY 19 HA3 GLY 19 -16.017 -25.971 -16.792 159 HA3 GLY 19 HA2 GLY 19 -15.429 -27.509 -16.182 160 H GLY 20 H GLY 20 -17.295 -26.777 -18.401 161 HA2 GLY 20 HA3 GLY 20 -18.893 -28.186 -19.370 162 HA3 GLY 20 HA2 GLY 20 -19.204 -28.887 -17.790 163 H LEU 21 H LEU 21 -19.198 -25.437 -18.445 164 HA LEU 21 HA LEU 21 -22.013 -25.397 -17.666 165 HB2 LEU 21 HB3 LEU 21 -21.603 -22.896 -17.441 166 HB3 LEU 21 HB2 LEU 21 -20.841 -23.955 -16.275 167 HG LEU 21 HG LEU 21 -18.743 -23.768 -17.747 168 HD11 LEU 21 HD11 LEU 21 -18.540 -21.785 -19.096 169 HD12 LEU 21 HD12 LEU 21 -20.197 -21.324 -18.725 170 HD13 LEU 21 HD13 LEU 21 -19.883 -22.761 -19.693 171 HD21 LEU 21 HD21 LEU 21 -18.954 -22.764 -15.549 172 HD22 LEU 21 HD22 LEU 21 -19.787 -21.374 -16.247 173 HD23 LEU 21 HD23 LEU 21 -18.095 -21.683 -16.648 174 H SER 22 H SER 22 -23.158 -23.355 -18.682 175 HA SER 22 HA SER 22 -23.561 -24.135 -21.401 176 HB2 SER 22 HB3 SER 22 -25.468 -23.549 -20.026 177 HB3 SER 22 HB2 SER 22 -24.791 -21.957 -19.694 178 HG SER 22 HG SER 22 -26.430 -21.969 -21.335 179 H PHE 23 H PHE 23 -23.464 -22.733 -23.233 180 HA PHE 23 HA PHE 23 -21.176 -20.984 -23.205 181 HB2 PHE 23 HB3 PHE 23 -23.152 -21.568 -25.424 182 HB3 PHE 23 HB2 PHE 23 -21.632 -20.696 -25.609 183 HD1 PHE 23 HD1 PHE 23 -23.219 -23.913 -25.414 184 HD2 PHE 23 HD2 PHE 23 -19.480 -21.898 -25.228 185 HE1 PHE 23 HE1 PHE 23 -22.057 -26.050 -25.791 186 HE2 PHE 23 HE2 PHE 23 -18.307 -24.029 -25.609 187 HZ PHE 23 HZ PHE 23 -19.596 -26.108 -25.888 188 H GLU 24 H GLU 24 -24.322 -20.618 -22.301 189 HA GLU 24 HA GLU 24 -24.427 -17.775 -22.998 190 HB2 GLU 24 HB3 GLU 24 -26.455 -19.385 -21.442 191 HB3 GLU 24 HB2 GLU 24 -26.686 -17.804 -22.175 192 HG2 GLU 24 HG3 GLU 24 -26.272 -18.912 -24.403 193 HG3 GLU 24 HG2 GLU 24 -26.373 -20.450 -23.549 194 H THR 25 H THR 25 -23.271 -19.811 -20.636 195 HA THR 25 HA THR 25 -23.775 -18.260 -18.304 196 HB THR 25 HB THR 25 -21.571 -20.278 -18.791 197 HG1 THR 25 HG1 THR 25 -24.300 -20.510 -18.322 198 HG21 THR 25 HG21 THR 25 -21.581 -20.523 -16.346 199 HG22 THR 25 HG22 THR 25 -22.805 -19.257 -16.221 200 HG23 THR 25 HG23 THR 25 -21.191 -18.868 -16.817 201 H THR 26 H THR 26 -23.207 -16.154 -18.716 202 HA THR 26 HA THR 26 -20.453 -15.565 -19.438 203 HB THR 26 HB THR 26 -22.215 -14.286 -20.560 204 HG1 THR 26 HG1 THR 26 -21.019 -12.524 -20.515 205 HG21 THR 26 HG21 THR 26 -23.897 -14.289 -18.803 206 HG22 THR 26 HG22 THR 26 -23.542 -12.637 -19.312 207 HG23 THR 26 HG23 THR 26 -22.875 -13.256 -17.801 208 H ASP 27 H ASP 27 -19.550 -13.581 -18.163 209 HA ASP 27 HA ASP 27 -18.681 -14.539 -15.728 210 HB2 ASP 27 HB3 ASP 27 -17.498 -12.822 -16.973 211 HB3 ASP 27 HB2 ASP 27 -18.804 -11.677 -16.694 212 H GLU 28 H GLU 28 -20.989 -11.888 -16.218 213 HA GLU 28 HA GLU 28 -21.640 -11.508 -13.530 214 HB2 GLU 28 HB3 GLU 28 -23.638 -10.343 -14.387 215 HB3 GLU 28 HB2 GLU 28 -22.172 -9.875 -15.234 216 HG2 GLU 28 HG3 GLU 28 -22.767 -11.425 -17.056 217 HG3 GLU 28 HG2 GLU 28 -24.278 -11.779 -16.222 218 H SER 29 H SER 29 -22.949 -13.718 -15.929 219 HA SER 29 HA SER 29 -25.232 -14.471 -14.394 220 HB2 SER 29 HB3 SER 29 -25.068 -14.709 -16.879 221 HB3 SER 29 HB2 SER 29 -23.876 -15.984 -16.643 222 HG SER 29 HG SER 29 -26.073 -16.717 -16.973 223 H LEU 30 H LEU 30 -21.948 -15.610 -14.738 224 HA LEU 30 HA LEU 30 -22.299 -18.117 -13.456 225 HB2 LEU 30 HB3 LEU 30 -20.377 -17.599 -14.913 226 HB3 LEU 30 HB2 LEU 30 -19.802 -16.439 -13.731 227 HG LEU 30 HG LEU 30 -19.590 -18.340 -12.094 228 HD11 LEU 30 HD11 LEU 30 -19.515 -20.607 -13.004 229 HD12 LEU 30 HD12 LEU 30 -20.064 -19.998 -14.566 230 HD13 LEU 30 HD13 LEU 30 -21.122 -19.897 -13.158 231 HD21 LEU 30 HD21 LEU 30 -17.965 -18.534 -14.626 232 HD22 LEU 30 HD22 LEU 30 -17.507 -19.176 -13.048 233 HD23 LEU 30 HD23 LEU 30 -17.660 -17.435 -13.283 234 H ARG 31 H ARG 31 -21.014 -14.999 -12.308 235 HA ARG 31 HA ARG 31 -20.532 -15.924 -9.696 236 HB2 ARG 31 HB3 ARG 31 -19.912 -13.771 -9.142 237 HB3 ARG 31 HB2 ARG 31 -19.664 -13.775 -10.880 238 HG2 ARG 31 HG3 ARG 31 -21.731 -12.589 -11.223 239 HG3 ARG 31 HG2 ARG 31 -22.103 -12.684 -9.499 240 HD2 ARG 31 HD3 ARG 31 -19.927 -11.448 -9.108 241 HD3 ARG 31 HD2 ARG 31 -19.900 -11.142 -10.844 242 HE ARG 31 HE ARG 31 -22.347 -10.263 -10.128 243 HH11 ARG 31 HH11 ARG 31 -19.161 -9.682 -8.790 244 HH12 ARG 31 HH12 ARG 31 -19.526 -8.058 -8.289 245 HH21 ARG 31 HH21 ARG 31 -22.835 -8.129 -9.455 246 HH22 ARG 31 HH22 ARG 31 -21.614 -7.184 -8.662 247 H SER 32 H SER 32 -23.382 -14.470 -11.193 248 HA SER 32 HA SER 32 -24.782 -13.876 -8.831 249 HB2 SER 32 HB3 SER 32 -25.902 -14.615 -11.545 250 HB3 SER 32 HB2 SER 32 -26.795 -13.824 -10.245 251 HG SER 32 HG SER 32 -24.694 -12.818 -11.841 252 H HIS 33 H HIS 33 -24.543 -16.847 -10.715 253 HA HIS 33 HA HIS 33 -26.534 -18.186 -9.122 254 HB2 HIS 33 HB3 HIS 33 -24.704 -19.078 -11.343 255 HB3 HIS 33 HB2 HIS 33 -25.665 -20.234 -10.424 256 HD2 HIS 33 HD2 HIS 33 -26.132 -17.402 -13.058 257 HE1 HIS 33 HE1 HIS 33 -29.792 -19.469 -12.577 258 HE2 HIS 33 HE2 HIS 33 -28.511 -17.812 -14.010 259 H PHE 34 H PHE 34 -23.239 -17.501 -8.743 260 HA PHE 34 HA PHE 34 -22.931 -19.758 -6.892 261 HB2 PHE 34 HB3 PHE 34 -20.956 -18.096 -8.400 262 HB3 PHE 34 HB2 PHE 34 -20.457 -18.921 -6.927 263 HD1 PHE 34 HD1 PHE 34 -20.077 -21.248 -6.891 264 HD2 PHE 34 HD2 PHE 34 -21.796 -19.432 -10.333 265 HE1 PHE 34 HE1 PHE 34 -19.743 -23.333 -8.151 266 HE2 PHE 34 HE2 PHE 34 -21.465 -21.515 -11.600 267 HZ PHE 34 HZ PHE 34 -20.439 -23.473 -10.511 268 H GLU 35 H GLU 35 -23.459 -16.388 -6.926 269 HA GLU 35 HA GLU 35 -22.237 -15.669 -4.463 270 HB2 GLU 35 HB3 GLU 35 -24.529 -14.481 -6.014 271 HB3 GLU 35 HB2 GLU 35 -23.986 -13.803 -4.490 272 HG2 GLU 35 HG3 GLU 35 -21.752 -13.484 -5.485 273 HG3 GLU 35 HG2 GLU 35 -22.393 -14.060 -7.022 274 H GLN 36 H GLN 36 -24.532 -17.905 -4.940 275 HA GLN 36 HA GLN 36 -26.421 -17.141 -2.903 276 HB2 GLN 36 HB3 GLN 36 -26.160 -19.426 -4.816 277 HB3 GLN 36 HB2 GLN 36 -27.282 -19.518 -3.467 278 HG2 GLN 36 HG3 GLN 36 -28.591 -17.769 -4.274 279 HG3 GLN 36 HG2 GLN 36 -27.307 -17.169 -5.320 280 HE21 GLN 36 HE21 GLN 36 -26.634 -19.731 -6.437 281 HE22 GLN 36 HE22 GLN 36 -27.921 -20.165 -7.507 282 H TRP 37 H TRP 37 -23.533 -19.018 -3.069 283 HA TRP 37 HA TRP 37 -24.096 -20.029 -0.361 284 HB2 TRP 37 HB3 TRP 37 -22.279 -21.249 -2.458 285 HB3 TRP 37 HB2 TRP 37 -22.448 -21.828 -0.808 286 HD1 TRP 37 HD1 TRP 37 -24.558 -23.272 -0.215 287 HE1 TRP 37 HE1 TRP 37 -26.420 -24.355 -1.617 288 HE3 TRP 37 HE3 TRP 37 -23.717 -20.874 -4.652 289 HZ2 TRP 37 HZ2 TRP 37 -27.398 -24.213 -4.256 290 HZ3 TRP 37 HZ3 TRP 37 -25.164 -21.413 -6.565 291 HH2 TRP 37 HH2 TRP 37 -26.963 -23.046 -6.372 292 H GLY 38 H GLY 38 -22.764 -17.530 -1.659 293 HA2 GLY 38 HA3 GLY 38 -21.209 -16.734 0.410 294 HA3 GLY 38 HA2 GLY 38 -20.088 -17.674 -0.557 295 H THR 39 H THR 39 -18.988 -15.567 -0.523 296 HA THR 39 HA THR 39 -20.070 -13.619 -2.455 297 HB THR 39 HB THR 39 -18.007 -13.374 -0.262 298 HG1 THR 39 HG1 THR 39 -20.467 -13.260 0.032 299 HG21 THR 39 HG21 THR 39 -17.869 -10.982 -0.859 300 HG22 THR 39 HG22 THR 39 -18.839 -11.305 -2.296 301 HG23 THR 39 HG23 THR 39 -17.242 -12.038 -2.126 302 H LEU 40 H LEU 40 -19.073 -13.477 -4.455 303 HA LEU 40 HA LEU 40 -16.575 -14.944 -4.759 304 HB2 LEU 40 HB3 LEU 40 -18.216 -13.600 -6.899 305 HB3 LEU 40 HB2 LEU 40 -16.829 -14.632 -7.157 306 HG LEU 40 HG LEU 40 -18.529 -16.091 -7.574 307 HD11 LEU 40 HD11 LEU 40 -18.188 -16.332 -4.599 308 HD12 LEU 40 HD12 LEU 40 -17.147 -17.050 -5.829 309 HD13 LEU 40 HD13 LEU 40 -18.822 -17.582 -5.668 310 HD21 LEU 40 HD21 LEU 40 -20.636 -16.174 -6.404 311 HD22 LEU 40 HD22 LEU 40 -20.330 -14.590 -7.114 312 HD23 LEU 40 HD23 LEU 40 -20.119 -14.835 -5.379 313 H THR 41 H THR 41 -14.772 -13.988 -4.396 314 HA THR 41 HA THR 41 -14.462 -11.121 -4.632 315 HB THR 41 HB THR 41 -12.164 -11.576 -3.784 316 HG1 THR 41 HG1 THR 41 -12.704 -14.182 -3.083 317 HG21 THR 41 HG21 THR 41 -12.847 -12.315 -1.549 318 HG22 THR 41 HG22 THR 41 -14.383 -12.881 -2.207 319 HG23 THR 41 HG23 THR 41 -14.000 -11.159 -2.219 320 H ASP 42 H ASP 42 -13.879 -13.936 -6.515 321 HA ASP 42 HA ASP 42 -12.694 -12.320 -8.627 322 HB2 ASP 42 HB3 ASP 42 -10.797 -13.245 -7.295 323 HB3 ASP 42 HB2 ASP 42 -11.346 -14.851 -7.693 324 H CYS 43 H CYS 43 -14.587 -12.705 -9.781 325 HA CYS 43 HA CYS 43 -14.939 -15.503 -10.625 326 HB2 CYS 43 HB3 CYS 43 -17.222 -14.692 -11.404 327 HB3 CYS 43 HB2 CYS 43 -16.977 -14.742 -9.662 328 HG CYS 43 HG CYS 43 -16.749 -11.895 -11.556 329 H VAL 44 H VAL 44 -15.037 -15.970 -12.845 330 HA VAL 44 HA VAL 44 -14.961 -13.965 -14.857 331 HB VAL 44 HB VAL 44 -12.688 -13.592 -14.089 332 HG11 VAL 44 HG11 VAL 44 -12.225 -16.530 -14.589 333 HG12 VAL 44 HG12 VAL 44 -12.267 -15.736 -13.014 334 HG13 VAL 44 HG13 VAL 44 -10.987 -15.348 -14.163 335 HG21 VAL 44 HG21 VAL 44 -12.739 -15.124 -16.684 336 HG22 VAL 44 HG22 VAL 44 -11.465 -14.018 -16.167 337 HG23 VAL 44 HG23 VAL 44 -13.091 -13.408 -16.476 338 H VAL 45 H VAL 45 -15.503 -14.827 -16.794 339 HA VAL 45 HA VAL 45 -15.380 -17.757 -17.036 340 HB VAL 45 HB VAL 45 -17.151 -17.606 -18.720 341 HG11 VAL 45 HG11 VAL 45 -17.839 -16.224 -16.134 342 HG12 VAL 45 HG12 VAL 45 -17.786 -17.965 -16.412 343 HG13 VAL 45 HG13 VAL 45 -18.997 -16.978 -17.231 344 HG21 VAL 45 HG21 VAL 45 -16.679 -15.388 -19.603 345 HG22 VAL 45 HG22 VAL 45 -17.190 -14.659 -18.081 346 HG23 VAL 45 HG23 VAL 45 -18.363 -15.508 -19.090 347 H MET 46 H MET 46 -14.700 -18.682 -18.940 348 HA MET 46 HA MET 46 -12.883 -16.988 -20.481 349 HB2 MET 46 HB3 MET 46 -12.971 -19.949 -19.962 350 HB3 MET 46 HB2 MET 46 -12.004 -19.277 -21.269 351 HG2 MET 46 HG3 MET 46 -10.636 -19.622 -19.330 352 HG3 MET 46 HG2 MET 46 -10.806 -17.897 -19.636 353 HE1 MET 46 HE1 MET 46 -9.669 -18.891 -16.928 354 HE2 MET 46 HE2 MET 46 -10.552 -17.829 -15.823 355 HE3 MET 46 HE3 MET 46 -9.967 -17.207 -17.369 356 H ARG 47 H ARG 47 -12.944 -16.902 -22.670 357 HA ARG 47 HA ARG 47 -15.402 -17.977 -23.876 358 HB2 ARG 47 HB3 ARG 47 -14.179 -15.251 -24.360 359 HB3 ARG 47 HB2 ARG 47 -15.700 -15.857 -25.024 360 HG2 ARG 47 HG3 ARG 47 -16.747 -15.836 -22.908 361 HG3 ARG 47 HG2 ARG 47 -15.214 -15.627 -22.066 362 HD2 ARG 47 HD3 ARG 47 -16.421 -13.556 -22.047 363 HD3 ARG 47 HD2 ARG 47 -15.007 -13.391 -23.085 364 HE ARG 47 HE ARG 47 -16.697 -13.883 -24.952 365 HH11 ARG 47 HH11 ARG 47 -17.468 -12.162 -22.001 366 HH12 ARG 47 HH12 ARG 47 -18.694 -11.183 -22.753 367 HH21 ARG 47 HH21 ARG 47 -18.304 -12.628 -25.930 368 HH22 ARG 47 HH22 ARG 47 -19.177 -11.450 -24.998 369 H ASP 48 H ASP 48 -15.312 -18.253 -26.195 370 HA ASP 48 HA ASP 48 -13.075 -19.671 -27.044 371 HB2 ASP 48 HB3 ASP 48 -15.446 -19.686 -28.034 372 HB3 ASP 48 HB2 ASP 48 -14.945 -18.254 -28.926 373 HA PRO 49 HA PRO 49 -10.254 -16.419 -28.109 374 HB2 PRO 49 HB3 PRO 49 -8.599 -17.830 -29.732 375 HB3 PRO 49 HB2 PRO 49 -8.582 -17.975 -27.972 376 HG2 PRO 49 HG3 PRO 49 -9.887 -19.745 -30.005 377 HG3 PRO 49 HG2 PRO 49 -8.949 -20.196 -28.567 378 HD2 PRO 49 HD3 PRO 49 -11.647 -20.239 -28.604 379 HD3 PRO 49 HD2 PRO 49 -10.726 -19.824 -27.142 380 H ASN 50 H ASN 50 -12.227 -18.105 -30.355 381 HA ASN 50 HA ASN 50 -11.401 -16.328 -32.559 382 HB2 ASN 50 HB3 ASN 50 -13.194 -18.718 -32.894 383 HB3 ASN 50 HB2 ASN 50 -12.153 -17.946 -34.083 384 HD21 ASN 50 HD21 ASN 50 -12.322 -20.099 -31.368 385 HD22 ASN 50 HD22 ASN 50 -10.765 -20.850 -31.618 386 H THR 51 H THR 51 -14.303 -17.831 -31.144 387 HA THR 51 HA THR 51 -16.036 -15.933 -32.469 388 HB THR 51 HB THR 51 -17.864 -17.172 -31.601 389 HG1 THR 51 HG1 THR 51 -17.284 -18.891 -29.948 390 HG21 THR 51 HG21 THR 51 -16.542 -18.391 -33.286 391 HG22 THR 51 HG22 THR 51 -17.333 -19.485 -32.151 392 HG23 THR 51 HG23 THR 51 -15.609 -19.143 -31.989 393 H LYS 52 H LYS 52 -14.546 -16.331 -29.392 394 HA LYS 52 HA LYS 52 -14.482 -15.146 -27.478 395 HB2 LYS 52 HB3 LYS 52 -15.773 -12.931 -29.084 396 HB3 LYS 52 HB2 LYS 52 -14.976 -12.752 -27.529 397 HG2 LYS 52 HG3 LYS 52 -13.679 -13.535 -30.131 398 HG3 LYS 52 HG2 LYS 52 -13.533 -11.988 -29.302 399 HD2 LYS 52 HD3 LYS 52 -12.560 -14.656 -28.272 400 HD3 LYS 52 HD2 LYS 52 -11.554 -13.378 -28.951 401 HE2 LYS 52 HE3 LYS 52 -12.316 -11.882 -27.118 402 HE3 LYS 52 HE2 LYS 52 -13.182 -13.247 -26.416 403 HZ1 LYS 52 HZ1 LYS 52 -10.984 -14.421 -26.336 404 HZ2 LYS 52 HZ2 LYS 52 -11.109 -13.082 -25.311 405 HZ3 LYS 52 HZ3 LYS 52 -10.248 -12.951 -26.761 406 H ARG 53 H ARG 53 -16.782 -16.818 -28.090 407 HA ARG 53 HA ARG 53 -18.968 -15.467 -26.708 408 HB2 ARG 53 HB3 ARG 53 -18.727 -17.916 -28.353 409 HB3 ARG 53 HB2 ARG 53 -19.904 -17.974 -27.049 410 HG2 ARG 53 HG3 ARG 53 -20.877 -17.273 -29.198 411 HG3 ARG 53 HG2 ARG 53 -21.056 -16.057 -27.933 412 HD2 ARG 53 HD3 ARG 53 -19.113 -14.858 -28.838 413 HD3 ARG 53 HD2 ARG 53 -18.986 -16.060 -30.121 414 HE ARG 53 HE ARG 53 -21.376 -15.285 -30.664 415 HH11 ARG 53 HH11 ARG 53 -18.841 -13.244 -29.395 416 HH12 ARG 53 HH12 ARG 53 -19.448 -11.790 -30.126 417 HH21 ARG 53 HH21 ARG 53 -22.187 -13.387 -31.651 418 HH22 ARG 53 HH22 ARG 53 -21.346 -11.878 -31.431 419 H SER 54 H SER 54 -17.947 -18.856 -26.301 420 HA SER 54 HA SER 54 -17.090 -18.380 -23.585 421 HB2 SER 54 HB3 SER 54 -19.631 -19.938 -24.110 422 HB3 SER 54 HB2 SER 54 -18.774 -19.909 -22.569 423 HG SER 54 HG SER 54 -19.218 -17.399 -23.492 424 H ARG 55 H ARG 55 -15.902 -20.066 -22.725 425 HA ARG 55 HA ARG 55 -15.053 -22.076 -24.658 426 HB2 ARG 55 HB3 ARG 55 -13.921 -20.886 -22.189 427 HB3 ARG 55 HB2 ARG 55 -13.472 -22.546 -22.543 428 HG2 ARG 55 HG3 ARG 55 -13.119 -20.239 -24.444 429 HG3 ARG 55 HG2 ARG 55 -11.861 -20.877 -23.385 430 HD2 ARG 55 HD3 ARG 55 -13.263 -22.314 -25.632 431 HD3 ARG 55 HD2 ARG 55 -11.573 -21.819 -25.576 432 HE ARG 55 HE ARG 55 -12.784 -24.001 -24.004 433 HH11 ARG 55 HH11 ARG 55 -9.950 -22.395 -25.304 434 HH12 ARG 55 HH12 ARG 55 -8.853 -23.651 -24.811 435 HH21 ARG 55 HH21 ARG 55 -11.346 -25.658 -23.372 436 HH22 ARG 55 HH22 ARG 55 -9.649 -25.511 -23.723 437 H GLY 56 H GLY 56 -17.373 -21.917 -22.294 438 HA2 GLY 56 HA3 GLY 56 -18.749 -23.663 -21.592 439 HA3 GLY 56 HA2 GLY 56 -17.576 -24.807 -22.227 440 H PHE 57 H PHE 57 -16.377 -22.325 -20.199 441 HA PHE 57 HA PHE 57 -16.798 -23.605 -17.703 442 HB2 PHE 57 HB3 PHE 57 -14.400 -24.067 -17.183 443 HB3 PHE 57 HB2 PHE 57 -15.076 -25.142 -18.396 444 HD1 PHE 57 HD1 PHE 57 -13.085 -21.994 -18.103 445 HD2 PHE 57 HD2 PHE 57 -13.925 -25.524 -20.314 446 HE1 PHE 57 HE1 PHE 57 -11.237 -21.461 -19.635 447 HE2 PHE 57 HE2 PHE 57 -12.084 -24.993 -21.863 448 HZ PHE 57 HZ PHE 57 -10.736 -22.960 -21.522 449 H GLY 58 H GLY 58 -15.566 -22.500 -15.956 450 HA2 GLY 58 HA3 GLY 58 -14.326 -19.978 -16.504 451 HA3 GLY 58 HA2 GLY 58 -15.972 -19.796 -15.903 452 H PHE 59 H PHE 59 -14.352 -18.683 -14.265 453 HA PHE 59 HA PHE 59 -13.926 -20.669 -12.137 454 HB2 PHE 59 HB3 PHE 59 -12.171 -18.310 -12.808 455 HB3 PHE 59 HB2 PHE 59 -12.023 -19.271 -11.342 456 HD1 PHE 59 HD1 PHE 59 -11.177 -21.536 -11.418 457 HD2 PHE 59 HD2 PHE 59 -11.479 -19.173 -14.936 458 HE1 PHE 59 HE1 PHE 59 -9.680 -23.095 -12.591 459 HE2 PHE 59 HE2 PHE 59 -9.990 -20.728 -16.118 460 HZ PHE 59 HZ PHE 59 -9.083 -22.683 -14.944 461 H VAL 60 H VAL 60 -14.298 -19.996 -10.052 462 HA VAL 60 HA VAL 60 -15.517 -17.384 -9.651 463 HB VAL 60 HB VAL 60 -17.308 -18.877 -10.402 464 HG11 VAL 60 HG11 VAL 60 -16.544 -20.994 -9.571 465 HG12 VAL 60 HG12 VAL 60 -18.155 -20.641 -8.947 466 HG13 VAL 60 HG13 VAL 60 -16.744 -20.440 -7.909 467 HG21 VAL 60 HG21 VAL 60 -18.881 -18.383 -8.599 468 HG22 VAL 60 HG22 VAL 60 -17.850 -17.016 -9.024 469 HG23 VAL 60 HG23 VAL 60 -17.517 -17.952 -7.566 470 H THR 61 H THR 61 -14.147 -16.662 -8.165 471 HA THR 61 HA THR 61 -13.163 -18.482 -6.090 472 HB THR 61 HB THR 61 -12.361 -15.613 -6.552 473 HG1 THR 61 HG1 THR 61 -11.811 -16.527 -8.449 474 HG21 THR 61 HG21 THR 61 -10.273 -16.303 -5.465 475 HG22 THR 61 HG22 THR 61 -10.925 -17.926 -5.247 476 HG23 THR 61 HG23 THR 61 -11.665 -16.560 -4.413 477 H TYR 62 H TYR 62 -13.992 -18.454 -4.106 478 HA TYR 62 HA TYR 62 -15.942 -16.421 -3.424 479 HB2 TYR 62 HB3 TYR 62 -15.089 -19.010 -2.158 480 HB3 TYR 62 HB2 TYR 62 -16.126 -17.873 -1.304 481 HD1 TYR 62 HD1 TYR 62 -18.421 -17.761 -1.752 482 HD2 TYR 62 HD2 TYR 62 -15.901 -19.964 -4.371 483 HE1 TYR 62 HE1 TYR 62 -20.403 -18.691 -2.862 484 HE2 TYR 62 HE2 TYR 62 -17.882 -20.893 -5.494 485 HH TYR 62 HH TYR 62 -21.039 -19.686 -4.946 486 H ALA 63 H ALA 63 -15.858 -15.848 -0.926 487 HA ALA 63 HA ALA 63 -13.516 -14.203 -0.659 488 HB1 ALA 63 HB1 ALA 63 -15.772 -13.450 0.041 489 HB2 ALA 63 HB2 ALA 63 -14.580 -13.342 1.340 490 HB3 ALA 63 HB3 ALA 63 -15.747 -14.666 1.323 491 H THR 64 H THR 64 -14.775 -17.125 0.752 492 HA THR 64 HA THR 64 -12.157 -17.675 1.904 493 HB THR 64 HB THR 64 -13.370 -16.672 3.750 494 HG1 THR 64 HG1 THR 64 -12.217 -18.223 4.662 495 HG21 THR 64 HG21 THR 64 -15.648 -17.030 2.966 496 HG22 THR 64 HG22 THR 64 -15.447 -17.638 4.612 497 HG23 THR 64 HG23 THR 64 -15.484 -18.764 3.255 498 H VAL 65 H VAL 65 -11.842 -19.936 2.363 499 HA VAL 65 HA VAL 65 -12.748 -21.627 0.341 500 HB VAL 65 HB VAL 65 -11.834 -23.496 1.756 501 HG11 VAL 65 HG11 VAL 65 -9.510 -22.715 1.609 502 HG12 VAL 65 HG12 VAL 65 -10.090 -21.066 1.367 503 HG13 VAL 65 HG13 VAL 65 -10.437 -22.308 0.165 504 HG21 VAL 65 HG21 VAL 65 -10.609 -22.889 3.792 505 HG22 VAL 65 HG22 VAL 65 -12.336 -22.568 3.955 506 HG23 VAL 65 HG23 VAL 65 -11.217 -21.238 3.662 507 H GLU 66 H GLU 66 -14.098 -20.968 3.472 508 HA GLU 66 HA GLU 66 -15.719 -23.195 3.847 509 HB2 GLU 66 HB3 GLU 66 -16.200 -20.324 4.639 510 HB3 GLU 66 HB2 GLU 66 -17.099 -21.702 5.264 511 HG2 GLU 66 HG3 GLU 66 -14.130 -21.309 5.557 512 HG3 GLU 66 HG2 GLU 66 -15.331 -20.920 6.788 513 H GLU 67 H GLU 67 -16.222 -20.344 1.875 514 HA GLU 67 HA GLU 67 -18.978 -20.918 1.337 515 HB2 GLU 67 HB3 GLU 67 -17.180 -19.131 -0.282 516 HB3 GLU 67 HB2 GLU 67 -18.925 -19.032 -0.096 517 HG2 GLU 67 HG3 GLU 67 -18.572 -18.468 2.293 518 HG3 GLU 67 HG2 GLU 67 -16.842 -18.428 1.977 519 H VAL 68 H VAL 68 -15.894 -21.420 -0.272 520 HA VAL 68 HA VAL 68 -16.799 -22.432 -2.718 521 HB VAL 68 HB VAL 68 -14.289 -22.990 -1.140 522 HG11 VAL 68 HG11 VAL 68 -13.384 -24.123 -3.107 523 HG12 VAL 68 HG12 VAL 68 -14.942 -23.978 -3.919 524 HG13 VAL 68 HG13 VAL 68 -14.788 -24.986 -2.480 525 HG21 VAL 68 HG21 VAL 68 -14.805 -21.497 -3.702 526 HG22 VAL 68 HG22 VAL 68 -13.244 -21.671 -2.898 527 HG23 VAL 68 HG23 VAL 68 -14.541 -20.765 -2.117 528 H ASP 69 H ASP 69 -15.916 -24.166 0.259 529 HA ASP 69 HA ASP 69 -16.595 -26.721 -0.670 530 HB2 ASP 69 HB3 ASP 69 -16.444 -25.582 2.118 531 HB3 ASP 69 HB2 ASP 69 -16.818 -27.275 1.809 532 H ALA 70 H ALA 70 -18.560 -24.174 0.753 533 HA ALA 70 HA ALA 70 -20.836 -25.744 1.309 534 HB1 ALA 70 HB1 ALA 70 -20.755 -22.811 0.596 535 HB2 ALA 70 HB2 ALA 70 -20.475 -23.471 2.209 536 HB3 ALA 70 HB3 ALA 70 -22.052 -23.657 1.442 537 H ALA 71 H ALA 71 -19.810 -23.946 -1.558 538 HA ALA 71 HA ALA 71 -22.134 -24.489 -3.100 539 HB1 ALA 71 HB1 ALA 71 -19.341 -23.823 -4.025 540 HB2 ALA 71 HB2 ALA 71 -20.604 -22.653 -3.635 541 HB3 ALA 71 HB3 ALA 71 -20.804 -23.745 -5.006 542 H MET 72 H MET 72 -19.123 -26.159 -2.509 543 HA MET 72 HA MET 72 -19.358 -28.103 -4.552 544 HB2 MET 72 HB3 MET 72 -17.942 -28.265 -1.888 545 HB3 MET 72 HB2 MET 72 -17.763 -29.422 -3.194 546 HG2 MET 72 HG3 MET 72 -16.917 -27.545 -4.622 547 HG3 MET 72 HG2 MET 72 -16.927 -26.544 -3.174 548 HE1 MET 72 HE1 MET 72 -14.277 -26.294 -4.173 549 HE2 MET 72 HE2 MET 72 -14.516 -27.638 -5.290 550 HE3 MET 72 HE3 MET 72 -13.161 -27.661 -4.159 551 H ASN 73 H ASN 73 -20.340 -28.068 -1.144 552 HA ASN 73 HA ASN 73 -21.418 -30.679 -1.097 553 HB2 ASN 73 HB3 ASN 73 -21.966 -28.245 0.599 554 HB3 ASN 73 HB2 ASN 73 -22.785 -29.778 0.870 555 HD21 ASN 73 HD21 ASN 73 -19.902 -27.977 1.279 556 HD22 ASN 73 HD22 ASN 73 -19.020 -29.169 2.160 557 H ALA 74 H ALA 74 -22.563 -27.725 -2.392 558 HA ALA 74 HA ALA 74 -25.360 -28.413 -2.296 559 HB1 ALA 74 HB1 ALA 74 -23.965 -26.142 -3.697 560 HB2 ALA 74 HB2 ALA 74 -24.626 -26.093 -2.061 561 HB3 ALA 74 HB3 ALA 74 -25.703 -26.299 -3.443 562 H ARG 75 H ARG 75 -23.020 -29.695 -4.093 563 HA ARG 75 HA ARG 75 -24.032 -29.514 -6.733 564 HB2 ARG 75 HB3 ARG 75 -22.609 -31.421 -7.233 565 HB3 ARG 75 HB2 ARG 75 -21.740 -30.269 -6.230 566 HG2 ARG 75 HG3 ARG 75 -22.227 -31.678 -4.260 567 HG3 ARG 75 HG2 ARG 75 -22.985 -32.857 -5.333 568 HD2 ARG 75 HD3 ARG 75 -20.891 -33.147 -6.527 569 HD3 ARG 75 HD2 ARG 75 -20.125 -31.921 -5.519 570 HE ARG 75 HE ARG 75 -21.097 -34.520 -4.517 571 HH11 ARG 75 HH11 ARG 75 -18.891 -31.825 -4.429 572 HH12 ARG 75 HH12 ARG 75 -17.857 -32.515 -3.218 573 HH21 ARG 75 HH21 ARG 75 -19.773 -35.460 -2.909 574 HH22 ARG 75 HH22 ARG 75 -18.372 -34.607 -2.345 575 HA PRO 76 HA PRO 76 -24.166 -31.074 -8.563 576 HB2 PRO 76 HB3 PRO 76 -26.260 -31.142 -10.270 577 HB3 PRO 76 HB2 PRO 76 -25.418 -32.601 -9.737 578 HG2 PRO 76 HG3 PRO 76 -27.994 -31.439 -8.760 579 HG3 PRO 76 HG2 PRO 76 -27.587 -33.131 -9.101 580 HD2 PRO 76 HD3 PRO 76 -27.610 -32.087 -6.592 581 HD3 PRO 76 HD2 PRO 76 -26.539 -33.416 -7.077 582 H HIS 77 H HIS 77 -23.684 -29.072 -9.111 583 HA HIS 77 HA HIS 77 -25.285 -26.862 -8.236 584 HB2 HIS 77 HB3 HIS 77 -22.663 -27.097 -8.532 585 HB3 HIS 77 HB2 HIS 77 -23.018 -26.523 -10.159 586 HD2 HIS 77 HD2 HIS 77 -22.361 -25.161 -6.710 587 HE1 HIS 77 HE1 HIS 77 -24.167 -22.046 -8.937 588 HE2 HIS 77 HE2 HIS 77 -22.766 -22.607 -6.901 589 H LYS 78 H LYS 78 -25.894 -25.086 -9.715 590 HA LYS 78 HA LYS 78 -26.531 -25.873 -12.436 591 HB2 LYS 78 HB3 LYS 78 -28.477 -26.679 -11.195 592 HB3 LYS 78 HB2 LYS 78 -28.656 -25.115 -10.414 593 HG2 LYS 78 HG3 LYS 78 -30.274 -25.077 -12.070 594 HG3 LYS 78 HG2 LYS 78 -28.935 -24.187 -12.794 595 HD2 LYS 78 HD3 LYS 78 -29.689 -25.634 -14.484 596 HD3 LYS 78 HD2 LYS 78 -28.241 -26.409 -13.839 597 HE2 LYS 78 HE3 LYS 78 -29.622 -27.875 -12.471 598 HE3 LYS 78 HE2 LYS 78 -31.074 -27.071 -13.062 599 HZ1 LYS 78 HZ1 LYS 78 -30.546 -29.216 -14.167 600 HZ2 LYS 78 HZ2 LYS 78 -29.167 -28.493 -14.833 601 HZ3 LYS 78 HZ3 LYS 78 -30.704 -27.909 -15.233 602 H VAL 79 H VAL 79 -25.710 -24.200 -13.525 603 HA VAL 79 HA VAL 79 -26.458 -21.489 -12.647 604 HB VAL 79 HB VAL 79 -24.203 -21.479 -12.057 605 HG11 VAL 79 HG11 VAL 79 -23.568 -23.629 -12.909 606 HG12 VAL 79 HG12 VAL 79 -22.401 -22.417 -13.444 607 HG13 VAL 79 HG13 VAL 79 -23.617 -23.027 -14.568 608 HG21 VAL 79 HG21 VAL 79 -24.703 -19.580 -13.489 609 HG22 VAL 79 HG22 VAL 79 -24.246 -20.515 -14.914 610 HG23 VAL 79 HG23 VAL 79 -23.032 -20.098 -13.706 611 H ASP 80 H ASP 80 -27.272 -20.199 -14.155 612 HA ASP 80 HA ASP 80 -28.221 -19.532 -16.111 613 HB2 ASP 80 HB3 ASP 80 -26.097 -19.702 -17.223 614 HB3 ASP 80 HB2 ASP 80 -26.218 -21.451 -17.325 615 H GLY 81 H GLY 81 -27.556 -22.963 -16.343 616 HA2 GLY 81 HA3 GLY 81 -29.994 -24.013 -15.667 617 HA3 GLY 81 HA2 GLY 81 -30.112 -23.695 -17.397 618 H ARG 82 H ARG 82 -27.248 -24.516 -15.593 619 HA ARG 82 HA ARG 82 -26.968 -26.956 -17.181 620 HB2 ARG 82 HB3 ARG 82 -25.791 -25.013 -18.228 621 HB3 ARG 82 HB2 ARG 82 -24.835 -24.853 -16.761 622 HG2 ARG 82 HG3 ARG 82 -23.622 -26.029 -18.514 623 HG3 ARG 82 HG2 ARG 82 -23.906 -27.059 -17.105 624 HD2 ARG 82 HD3 ARG 82 -24.318 -28.204 -19.264 625 HD3 ARG 82 HD2 ARG 82 -25.722 -28.160 -18.196 626 HE ARG 82 HE ARG 82 -26.063 -25.970 -19.767 627 HH11 ARG 82 HH11 ARG 82 -25.482 -29.350 -20.446 628 HH12 ARG 82 HH12 ARG 82 -26.375 -29.337 -21.932 629 HH21 ARG 82 HH21 ARG 82 -27.233 -25.940 -21.730 630 HH22 ARG 82 HH22 ARG 82 -27.380 -27.407 -22.662 631 H VAL 83 H VAL 83 -26.411 -28.638 -15.939 632 HA VAL 83 HA VAL 83 -25.560 -28.271 -13.222 633 HB VAL 83 HB VAL 83 -25.561 -30.812 -14.863 634 HG11 VAL 83 HG11 VAL 83 -24.103 -30.937 -12.921 635 HG12 VAL 83 HG12 VAL 83 -25.540 -31.930 -12.672 636 HG13 VAL 83 HG13 VAL 83 -25.407 -30.356 -11.886 637 HG21 VAL 83 HG21 VAL 83 -27.640 -29.725 -12.964 638 HG22 VAL 83 HG22 VAL 83 -27.678 -31.316 -13.725 639 HG23 VAL 83 HG23 VAL 83 -27.800 -29.862 -14.715 640 H VAL 84 H VAL 84 -23.595 -27.592 -12.781 641 HA VAL 84 HA VAL 84 -21.413 -28.280 -14.623 642 HB VAL 84 HB VAL 84 -20.199 -26.368 -13.650 643 HG11 VAL 84 HG11 VAL 84 -21.523 -26.053 -15.660 644 HG12 VAL 84 HG12 VAL 84 -21.584 -24.606 -14.653 645 HG13 VAL 84 HG13 VAL 84 -22.954 -25.717 -14.686 646 HG21 VAL 84 HG21 VAL 84 -21.393 -24.775 -12.207 647 HG22 VAL 84 HG22 VAL 84 -21.209 -26.348 -11.432 648 HG23 VAL 84 HG23 VAL 84 -22.762 -25.884 -12.128 649 H GLU 85 H GLU 85 -19.214 -28.222 -13.432 650 HA GLU 85 HA GLU 85 -19.435 -29.803 -10.963 651 HB2 GLU 85 HB3 GLU 85 -18.904 -31.220 -12.927 652 HB3 GLU 85 HB2 GLU 85 -17.478 -30.240 -13.228 653 HG2 GLU 85 HG3 GLU 85 -16.512 -30.949 -11.123 654 HG3 GLU 85 HG2 GLU 85 -17.965 -31.876 -10.748 655 HA PRO 86 HA PRO 86 -16.639 -26.425 -9.964 656 HB2 PRO 86 HB3 PRO 86 -17.611 -26.110 -7.421 657 HB3 PRO 86 HB2 PRO 86 -18.316 -25.371 -8.859 658 HG2 PRO 86 HG3 PRO 86 -19.403 -27.465 -7.184 659 HG3 PRO 86 HG2 PRO 86 -20.177 -26.601 -8.519 660 HD2 PRO 86 HD3 PRO 86 -18.927 -29.252 -8.496 661 HD3 PRO 86 HD2 PRO 86 -20.023 -28.534 -9.693 662 H LYS 87 H LYS 87 -14.617 -27.031 -9.607 663 HA LYS 87 HA LYS 87 -14.020 -28.679 -7.235 664 HB2 LYS 87 HB3 LYS 87 -12.728 -28.862 -9.965 665 HB3 LYS 87 HB2 LYS 87 -12.217 -29.761 -8.541 666 HG2 LYS 87 HG3 LYS 87 -14.370 -30.897 -8.470 667 HG3 LYS 87 HG2 LYS 87 -14.913 -29.968 -9.867 668 HD2 LYS 87 HD3 LYS 87 -12.566 -31.861 -9.861 669 HD3 LYS 87 HD2 LYS 87 -14.184 -32.263 -10.438 670 HE2 LYS 87 HE3 LYS 87 -13.905 -30.221 -11.983 671 HE3 LYS 87 HE2 LYS 87 -12.188 -30.345 -11.596 672 HZ1 LYS 87 HZ1 LYS 87 -12.629 -31.562 -13.597 673 HZ2 LYS 87 HZ2 LYS 87 -13.887 -32.427 -12.858 674 HZ3 LYS 87 HZ3 LYS 87 -12.283 -32.679 -12.365 675 H ARG 88 H ARG 88 -11.801 -28.357 -6.400 676 HA ARG 88 HA ARG 88 -11.110 -25.646 -6.152 677 HB2 ARG 88 HB3 ARG 88 -10.222 -28.116 -5.060 678 HB3 ARG 88 HB2 ARG 88 -8.804 -27.272 -5.662 679 HG2 ARG 88 HG3 ARG 88 -9.083 -26.682 -3.380 680 HG3 ARG 88 HG2 ARG 88 -9.544 -25.274 -4.342 681 HD2 ARG 88 HD3 ARG 88 -11.888 -25.865 -4.103 682 HD3 ARG 88 HD2 ARG 88 -11.446 -27.301 -3.186 683 HE ARG 88 HE ARG 88 -10.700 -24.653 -2.163 684 HH11 ARG 88 HH11 ARG 88 -12.469 -27.659 -1.843 685 HH12 ARG 88 HH12 ARG 88 -13.099 -27.275 -0.266 686 HH21 ARG 88 HH21 ARG 88 -11.518 -24.168 -0.055 687 HH22 ARG 88 HH22 ARG 88 -12.573 -25.301 0.741 688 H ALA 89 H ALA 89 -9.959 -24.323 -7.411 689 HA ALA 89 HA ALA 89 -9.154 -25.140 -9.989 690 HB1 ALA 89 HB1 ALA 89 -8.441 -22.613 -8.506 691 HB2 ALA 89 HB2 ALA 89 -9.890 -22.860 -9.480 692 HB3 ALA 89 HB3 ALA 89 -8.300 -22.876 -10.244 693 H VAL 90 H VAL 90 -7.166 -25.520 -10.866 694 HA VAL 90 HA VAL 90 -4.985 -26.084 -9.021 695 HB VAL 90 HB VAL 90 -5.700 -27.726 -10.810 696 HG11 VAL 90 HG11 VAL 90 -4.393 -25.717 -12.635 697 HG12 VAL 90 HG12 VAL 90 -6.099 -26.166 -12.614 698 HG13 VAL 90 HG13 VAL 90 -4.882 -27.350 -13.088 699 HG21 VAL 90 HG21 VAL 90 -3.416 -28.376 -11.420 700 HG22 VAL 90 HG22 VAL 90 -3.543 -27.937 -9.716 701 HG23 VAL 90 HG23 VAL 90 -2.829 -26.808 -10.866 702 H SER 91 H SER 91 -2.743 -25.341 -9.695 703 HA SER 91 HA SER 91 -2.690 -22.558 -10.137 704 HB2 SER 91 HB3 SER 91 -0.434 -24.549 -10.538 705 HB3 SER 91 HB2 SER 91 -0.263 -22.810 -10.291 706 HG SER 91 HG SER 91 -1.407 -23.220 -8.225 707 H ARG 92 H ARG 92 -2.768 -21.422 -12.006 708 HA ARG 92 HA ARG 92 -3.420 -22.701 -14.417 709 HB2 ARG 92 HB3 ARG 92 -3.158 -20.454 -15.453 710 HB3 ARG 92 HB2 ARG 92 -4.192 -20.471 -14.033 711 HG2 ARG 92 HG3 ARG 92 -2.076 -19.752 -12.756 712 HG3 ARG 92 HG2 ARG 92 -1.449 -19.335 -14.353 713 HD2 ARG 92 HD3 ARG 92 -2.523 -17.427 -13.216 714 HD3 ARG 92 HD2 ARG 92 -3.303 -17.847 -14.742 715 HE ARG 92 HE ARG 92 -5.165 -18.603 -13.575 716 HH11 ARG 92 HH11 ARG 92 -2.647 -17.560 -11.371 717 HH12 ARG 92 HH12 ARG 92 -3.694 -17.556 -9.980 718 HH21 ARG 92 HH21 ARG 92 -6.536 -18.598 -11.750 719 HH22 ARG 92 HH22 ARG 92 -5.907 -18.141 -10.190 720 H GLU 93 H GLU 93 -0.390 -21.682 -13.062 721 HA GLU 93 HA GLU 93 1.268 -21.812 -15.300 722 HB2 GLU 93 HB3 GLU 93 1.831 -22.588 -12.432 723 HB3 GLU 93 HB2 GLU 93 3.066 -22.405 -13.665 724 HG2 GLU 93 HG3 GLU 93 3.084 -20.430 -12.386 725 HG3 GLU 93 HG2 GLU 93 2.321 -20.024 -13.919 726 H ASP 94 H ASP 94 -0.034 -24.349 -13.241 727 HA ASP 94 HA ASP 94 1.561 -26.450 -14.347 728 HB2 ASP 94 HB3 ASP 94 -0.828 -26.365 -12.533 729 HB3 ASP 94 HB2 ASP 94 -0.273 -27.895 -13.203 730 H SER 95 H SER 95 -1.405 -24.930 -15.231 731 HA SER 95 HA SER 95 -2.132 -27.115 -17.011 732 HB2 SER 95 HB3 SER 95 -3.494 -24.473 -16.470 733 HB3 SER 95 HB2 SER 95 -4.142 -25.766 -17.479 734 HG SER 95 HG SER 95 -3.986 -27.121 -15.566 735 H GLN 96 H GLN 96 -0.487 -24.084 -17.126 736 HA GLN 96 HA GLN 96 -0.857 -23.469 -19.860 737 HB2 GLN 96 HB3 GLN 96 1.372 -22.806 -17.939 738 HB3 GLN 96 HB2 GLN 96 1.309 -22.190 -19.583 739 HG2 GLN 96 HG3 GLN 96 -0.758 -21.037 -19.111 740 HG3 GLN 96 HG2 GLN 96 -0.804 -21.730 -17.490 741 HE21 GLN 96 HE21 GLN 96 2.141 -20.659 -19.010 742 HE22 GLN 96 HE22 GLN 96 2.409 -19.293 -17.976 743 H ARG 97 H ARG 97 1.744 -25.203 -18.181 744 HA ARG 97 HA ARG 97 2.953 -26.009 -20.655 745 HB2 ARG 97 HB3 ARG 97 4.246 -27.562 -18.916 746 HB3 ARG 97 HB2 ARG 97 4.637 -25.866 -19.134 747 HG2 ARG 97 HG3 ARG 97 4.591 -26.142 -16.831 748 HG3 ARG 97 HG2 ARG 97 3.020 -25.434 -17.198 749 HD2 ARG 97 HD3 ARG 97 2.513 -27.138 -15.709 750 HD3 ARG 97 HD2 ARG 97 2.180 -27.857 -17.282 751 HE ARG 97 HE ARG 97 4.664 -28.356 -15.761 752 HH11 ARG 97 HH11 ARG 97 2.092 -29.429 -17.891 753 HH12 ARG 97 HH12 ARG 97 2.569 -31.102 -17.825 754 HH21 ARG 97 HH21 ARG 97 5.285 -30.561 -15.667 755 HH22 ARG 97 HH22 ARG 97 4.381 -31.749 -16.563 756 H5' U 1 H5' U 1 -16.262 -28.679 -19.920 757 H5'' U 1 H5'' U 1 -17.885 -28.454 -20.589 758 H4' U 1 H4' U 1 -15.545 -29.667 -22.049 759 H3' U 1 H3' U 1 -15.495 -27.075 -21.665 760 H2' U 1 H2' U 1 -17.770 -26.510 -22.154 761 HO2' U 1 HO2' U 1 -16.374 -26.537 -24.633 762 H1' U 1 H1' U 1 -17.991 -28.275 -24.578 763 H3 U 1 H3 U 1 -22.352 -29.133 -24.193 764 H5 U 1 H5 U 1 -21.451 -27.118 -20.624 765 H6 U 1 H6 U 1 -19.135 -27.172 -21.263 766 HO5' U 1 HO5' U 1 -17.611 -30.868 -21.060 767 H5' U 2 H5' U 2 -14.950 -28.086 -20.314 768 H5'' U 2 H5'' U 2 -14.164 -26.597 -20.864 769 H4' U 2 H4' U 2 -12.585 -26.677 -19.303 770 H3' U 2 H3' U 2 -11.758 -29.058 -20.257 771 H2' U 2 H2' U 2 -13.368 -30.430 -19.083 772 HO2' U 2 HO2' U 2 -10.907 -30.322 -18.032 773 H1' U 2 H1' U 2 -12.942 -28.626 -16.628 774 H3 U 2 H3 U 2 -16.004 -30.724 -14.161 775 H5 U 2 H5 U 2 -17.584 -31.043 -18.034 776 H6 U 2 H6 U 2 -15.609 -29.932 -18.849 777 H5' A 3 H5' A 3 -11.184 -24.813 -17.899 778 H5'' A 3 H5'' A 3 -10.622 -24.726 -19.580 779 H4' A 3 H4' A 3 -9.898 -22.763 -18.418 780 H3' A 3 H3' A 3 -8.156 -24.017 -19.951 781 H2' A 3 H2' A 3 -7.291 -25.625 -18.395 782 HO2' A 3 HO2' A 3 -5.819 -23.216 -18.063 783 H1' A 3 H1' A 3 -7.137 -23.653 -16.104 784 H8 A 3 H8 A 3 -7.517 -27.155 -17.347 785 H61 A 3 H61 A 3 -8.291 -29.399 -13.102 786 H62 A 3 H62 A 3 -8.615 -28.819 -11.483 787 H2 A 3 H2 A 3 -8.656 -24.336 -11.699 788 H5' G 4 H5' G 4 -8.536 -20.511 -19.199 789 H5'' G 4 H5'' G 4 -8.568 -19.214 -20.406 790 H4' G 4 H4' G 4 -7.788 -17.794 -18.947 791 H3' G 4 H3' G 4 -5.374 -19.327 -19.261 792 H2' G 4 H2' G 4 -5.278 -19.992 -16.982 793 HO2' G 4 HO2' G 4 -4.304 -17.498 -17.314 794 H1' G 4 H1' G 4 -7.123 -17.584 -16.419 795 H8 G 4 H8 G 4 -8.100 -17.590 -14.120 796 H1 G 4 H1 G 4 -5.994 -23.527 -12.901 797 H21 G 4 H21 G 4 -5.038 -23.531 -16.235 798 H22 G 4 H22 G 4 -5.116 -24.403 -14.720 799 H5' G 5 H5' G 5 -7.756 -16.862 -19.283 800 H5'' G 5 H5'' G 5 -8.350 -17.026 -20.947 801 H4' G 5 H4' G 5 -9.246 -14.948 -21.000 802 H3' G 5 H3' G 5 -7.133 -14.030 -19.059 803 H2' G 5 H2' G 5 -8.631 -12.290 -18.359 804 HO2' G 5 HO2' G 5 -9.500 -12.399 -20.806 805 H1' G 5 H1' G 5 -10.892 -13.937 -18.210 806 H8 G 5 H8 G 5 -8.542 -16.261 -16.844 807 H1 G 5 H1 G 5 -9.202 -11.198 -12.957 808 H21 G 5 H21 G 5 -10.665 -9.676 -15.707 809 H22 G 5 H22 G 5 -10.174 -9.542 -14.034 810 H5' U 6 H5' U 6 -4.212 -13.072 -21.273 811 H5'' U 6 H5'' U 6 -4.688 -14.292 -20.075 812 H4' U 6 H4' U 6 -2.620 -12.131 -19.874 813 H3' U 6 H3' U 6 -2.113 -14.651 -20.555 814 H2' U 6 H2' U 6 -3.291 -15.670 -18.671 815 HO2' U 6 HO2' U 6 -1.042 -16.373 -18.739 816 H1' U 6 H1' U 6 -1.862 -13.620 -16.876 817 H3 U 6 H3 U 6 -3.821 -14.902 -13.110 818 H5 U 6 H5 U 6 -6.741 -15.812 -15.988 819 H6 U 6 H6 U 6 -5.227 -15.004 -17.672 820 H5' C 7 H5' C 7 0.765 -16.837 -18.763 821 H5'' C 7 H5'' C 7 1.913 -16.664 -20.105 822 H4' C 7 H4' C 7 0.942 -18.957 -19.728 823 H3' C 7 H3' C 7 0.965 -17.617 -22.408 824 HO3' C 7 HO3' C 7 2.850 -18.374 -21.892 825 H2' C 7 H2' C 7 -0.237 -19.468 -23.356 826 HO2' C 7 HO2' C 7 0.977 -20.815 -21.422 827 H1' C 7 H1' C 7 -2.105 -19.706 -21.313 828 H41 C 7 H41 C 7 -3.907 -14.352 -24.744 829 H42 C 7 H42 C 7 -4.993 -15.643 -25.210 830 H5 C 7 H5 C 7 -2.031 -14.689 -23.246 831 H6 C 7 H6 C 7 -0.832 -16.324 -21.890 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -12.290 -3.257 7.261 2 H2 ALA 1 H2 ALA 1 -13.606 -2.209 7.486 3 H3 ALA 1 H3 ALA 1 -13.318 -2.896 5.962 4 HA ALA 1 HA ALA 1 -14.051 -4.383 8.413 5 HB1 ALA 1 HB1 ALA 1 -15.899 -3.033 7.547 6 HB2 ALA 1 HB2 ALA 1 -16.203 -4.757 7.338 7 HB3 ALA 1 HB3 ALA 1 -15.700 -3.777 5.961 8 H SER 2 H SER 2 -13.617 -4.499 4.880 9 HA SER 2 HA SER 2 -13.808 -7.306 4.663 10 HB2 SER 2 HB3 SER 2 -14.068 -5.625 2.796 11 HB3 SER 2 HB2 SER 2 -12.314 -5.453 2.796 12 HG SER 2 HG SER 2 -13.913 -7.608 1.985 13 H LYS 3 H LYS 3 -11.143 -5.179 5.441 14 HA LYS 3 HA LYS 3 -9.189 -7.313 5.189 15 HB2 LYS 3 HB3 LYS 3 -9.046 -4.400 5.848 16 HB3 LYS 3 HB2 LYS 3 -7.712 -5.445 6.313 17 HG2 LYS 3 HG3 LYS 3 -7.183 -4.466 4.211 18 HG3 LYS 3 HG2 LYS 3 -7.539 -6.171 3.935 19 HD2 LYS 3 HD3 LYS 3 -9.829 -5.534 3.248 20 HD3 LYS 3 HD2 LYS 3 -9.380 -3.837 3.429 21 HE2 LYS 3 HE3 LYS 3 -9.194 -4.398 1.118 22 HE3 LYS 3 HE2 LYS 3 -7.564 -4.217 1.764 23 HZ1 LYS 3 HZ1 LYS 3 -8.970 -6.800 1.315 24 HZ2 LYS 3 HZ2 LYS 3 -7.395 -6.626 1.921 25 HZ3 LYS 3 HZ3 LYS 3 -7.747 -6.155 0.334 26 H SER 4 H SER 4 -11.437 -7.477 7.126 27 HA SER 4 HA SER 4 -10.248 -7.392 9.730 28 HB2 SER 4 HB3 SER 4 -12.741 -7.278 9.216 29 HB3 SER 4 HB2 SER 4 -12.663 -9.006 8.877 30 HG SER 4 HG SER 4 -13.101 -9.082 10.957 31 H GLU 5 H GLU 5 -10.679 -9.772 10.915 32 HA GLU 5 HA GLU 5 -8.553 -11.365 9.913 33 HB2 GLU 5 HB3 GLU 5 -9.269 -12.980 11.713 34 HB3 GLU 5 HB2 GLU 5 -8.829 -11.368 12.255 35 HG2 GLU 5 HG3 GLU 5 -11.211 -10.788 12.395 36 HG3 GLU 5 HG2 GLU 5 -11.622 -12.435 11.913 37 H SER 6 H SER 6 -8.816 -12.309 8.033 38 HA SER 6 HA SER 6 -10.915 -14.325 7.787 39 HB2 SER 6 HB3 SER 6 -10.198 -12.402 5.556 40 HB3 SER 6 HB2 SER 6 -11.436 -13.657 5.513 41 HG SER 6 HG SER 6 -11.992 -12.178 7.599 42 HA PRO 7 HA PRO 7 -7.296 -16.644 6.562 43 HB2 PRO 7 HB3 PRO 7 -9.257 -18.529 5.415 44 HB3 PRO 7 HB2 PRO 7 -8.040 -18.802 6.664 45 HG2 PRO 7 HG3 PRO 7 -10.654 -18.698 7.249 46 HG3 PRO 7 HG2 PRO 7 -9.424 -18.066 8.360 47 HD2 PRO 7 HD3 PRO 7 -11.220 -16.585 6.478 48 HD3 PRO 7 HD2 PRO 7 -10.736 -16.170 8.136 49 H LYS 8 H LYS 8 -6.183 -15.981 4.815 50 HA LYS 8 HA LYS 8 -7.286 -16.301 2.162 51 HB2 LYS 8 HB3 LYS 8 -8.252 -14.148 2.913 52 HB3 LYS 8 HB2 LYS 8 -6.630 -13.528 3.174 53 HG2 LYS 8 HG3 LYS 8 -7.282 -12.663 1.106 54 HG3 LYS 8 HG2 LYS 8 -6.222 -14.017 0.709 55 HD2 LYS 8 HD3 LYS 8 -8.101 -14.153 -0.742 56 HD3 LYS 8 HD2 LYS 8 -8.287 -15.429 0.464 57 HE2 LYS 8 HE3 LYS 8 -10.413 -14.359 0.157 58 HE3 LYS 8 HE2 LYS 8 -9.787 -13.917 1.746 59 HZ1 LYS 8 HZ1 LYS 8 -9.660 -12.230 -0.699 60 HZ2 LYS 8 HZ2 LYS 8 -9.058 -11.797 0.829 61 HZ3 LYS 8 HZ3 LYS 8 -10.724 -12.007 0.605 62 H GLU 9 H GLU 9 -5.497 -17.545 1.666 63 HA GLU 9 HA GLU 9 -3.170 -15.895 1.041 64 HB2 GLU 9 HB3 GLU 9 -2.514 -17.162 3.018 65 HB3 GLU 9 HB2 GLU 9 -2.971 -18.667 2.231 66 HG2 GLU 9 HG3 GLU 9 -0.580 -18.401 2.172 67 HG3 GLU 9 HG2 GLU 9 -1.237 -18.297 0.540 68 HA PRO 10 HA PRO 10 -3.148 -19.302 -2.226 69 HB2 PRO 10 HB3 PRO 10 -5.091 -21.356 -1.756 70 HB3 PRO 10 HB2 PRO 10 -3.337 -21.499 -1.778 71 HG2 PRO 10 HG3 PRO 10 -4.913 -21.794 0.459 72 HG3 PRO 10 HG2 PRO 10 -3.188 -21.393 0.483 73 HD2 PRO 10 HD3 PRO 10 -5.557 -19.616 0.838 74 HD3 PRO 10 HD2 PRO 10 -3.959 -19.536 1.608 75 H GLU 11 H GLU 11 -4.042 -17.874 -3.597 76 HA GLU 11 HA GLU 11 -6.776 -17.253 -3.829 77 HB2 GLU 11 HB3 GLU 11 -5.201 -15.742 -4.766 78 HB3 GLU 11 HB2 GLU 11 -4.396 -17.011 -5.669 79 HG2 GLU 11 HG3 GLU 11 -5.545 -15.772 -7.273 80 HG3 GLU 11 HG2 GLU 11 -6.543 -17.201 -7.018 81 H GLN 12 H GLN 12 -4.743 -19.621 -5.483 82 HA GLN 12 HA GLN 12 -6.659 -20.346 -7.419 83 HB2 GLN 12 HB3 GLN 12 -5.144 -21.973 -8.101 84 HB3 GLN 12 HB2 GLN 12 -4.102 -20.775 -7.350 85 HG2 GLN 12 HG3 GLN 12 -4.246 -22.176 -5.249 86 HG3 GLN 12 HG2 GLN 12 -4.975 -23.425 -6.255 87 HE21 GLN 12 HE21 GLN 12 -3.409 -24.900 -6.190 88 HE22 GLN 12 HE22 GLN 12 -1.795 -24.669 -6.776 89 H LEU 13 H LEU 13 -5.998 -21.525 -4.166 90 HA LEU 13 HA LEU 13 -7.718 -23.811 -4.461 91 HB2 LEU 13 HB3 LEU 13 -5.813 -24.068 -3.070 92 HB3 LEU 13 HB2 LEU 13 -6.199 -22.630 -2.155 93 HG LEU 13 HG LEU 13 -8.246 -24.732 -2.017 94 HD11 LEU 13 HD11 LEU 13 -6.232 -26.121 -2.053 95 HD12 LEU 13 HD12 LEU 13 -6.962 -26.099 -0.448 96 HD13 LEU 13 HD13 LEU 13 -5.525 -25.132 -0.775 97 HD21 LEU 13 HD21 LEU 13 -8.280 -22.651 -0.709 98 HD22 LEU 13 HD22 LEU 13 -6.758 -23.117 0.051 99 HD23 LEU 13 HD23 LEU 13 -8.211 -24.079 0.323 100 H ARG 14 H ARG 14 -8.081 -20.528 -3.546 101 HA ARG 14 HA ARG 14 -10.713 -21.017 -2.381 102 HB2 ARG 14 HB3 ARG 14 -9.041 -18.533 -2.704 103 HB3 ARG 14 HB2 ARG 14 -10.733 -18.462 -2.220 104 HG2 ARG 14 HG3 ARG 14 -10.230 -19.906 -0.306 105 HG3 ARG 14 HG2 ARG 14 -8.536 -19.931 -0.791 106 HD2 ARG 14 HD3 ARG 14 -8.242 -17.661 -0.287 107 HD3 ARG 14 HD2 ARG 14 -9.978 -17.365 -0.228 108 HE ARG 14 HE ARG 14 -9.773 -17.728 1.999 109 HH11 ARG 14 HH11 ARG 14 -7.482 -19.892 0.432 110 HH12 ARG 14 HH12 ARG 14 -7.104 -20.747 1.901 111 HH21 ARG 14 HH21 ARG 14 -9.257 -18.853 3.903 112 HH22 ARG 14 HH22 ARG 14 -8.094 -20.144 3.866 113 H LYS 15 H LYS 15 -9.337 -20.700 -5.358 114 HA LYS 15 HA LYS 15 -11.665 -19.473 -6.599 115 HB2 LYS 15 HB3 LYS 15 -9.376 -18.892 -7.393 116 HB3 LYS 15 HB2 LYS 15 -9.160 -20.564 -7.893 117 HG2 LYS 15 HG3 LYS 15 -11.055 -20.322 -9.443 118 HG3 LYS 15 HG2 LYS 15 -11.200 -18.628 -8.971 119 HD2 LYS 15 HD3 LYS 15 -8.738 -19.872 -10.189 120 HD3 LYS 15 HD2 LYS 15 -9.953 -18.967 -11.090 121 HE2 LYS 15 HE3 LYS 15 -8.334 -17.878 -8.796 122 HE3 LYS 15 HE2 LYS 15 -7.965 -17.626 -10.499 123 HZ1 LYS 15 HZ1 LYS 15 -10.382 -16.696 -9.047 124 HZ2 LYS 15 HZ2 LYS 15 -10.164 -16.551 -10.717 125 HZ3 LYS 15 HZ3 LYS 15 -9.132 -15.731 -9.661 126 H LEU 16 H LEU 16 -13.158 -20.559 -7.691 127 HA LEU 16 HA LEU 16 -13.050 -23.489 -7.613 128 HB2 LEU 16 HB3 LEU 16 -14.925 -21.916 -6.625 129 HB3 LEU 16 HB2 LEU 16 -15.478 -21.877 -8.283 130 HG LEU 16 HG LEU 16 -15.912 -24.211 -8.308 131 HD11 LEU 16 HD11 LEU 16 -14.029 -25.086 -7.155 132 HD12 LEU 16 HD12 LEU 16 -15.464 -25.584 -6.254 133 HD13 LEU 16 HD13 LEU 16 -14.472 -24.249 -5.671 134 HD21 LEU 16 HD21 LEU 16 -16.816 -23.021 -5.688 135 HD22 LEU 16 HD22 LEU 16 -17.532 -24.422 -6.483 136 HD23 LEU 16 HD23 LEU 16 -17.615 -22.836 -7.249 137 H PHE 17 H PHE 17 -12.765 -24.566 -9.431 138 HA PHE 17 HA PHE 17 -12.826 -23.212 -12.002 139 HB2 PHE 17 HB3 PHE 17 -10.986 -24.784 -11.452 140 HB3 PHE 17 HB2 PHE 17 -12.158 -26.086 -11.302 141 HD1 PHE 17 HD1 PHE 17 -11.701 -27.577 -13.010 142 HD2 PHE 17 HD2 PHE 17 -11.824 -23.417 -13.873 143 HE1 PHE 17 HE1 PHE 17 -11.413 -28.067 -15.406 144 HE2 PHE 17 HE2 PHE 17 -11.537 -23.895 -16.264 145 HZ PHE 17 HZ PHE 17 -11.320 -26.220 -17.040 146 H ILE 18 H ILE 18 -14.743 -23.004 -12.958 147 HA ILE 18 HA ILE 18 -16.805 -25.024 -12.405 148 HB ILE 18 HB ILE 18 -17.306 -22.391 -13.769 149 HG12 ILE 18 HG12 ILE 18 -16.218 -21.810 -11.679 150 HG13 ILE 18 HG13 ILE 18 -17.939 -21.470 -11.551 151 HG21 ILE 18 HG21 ILE 18 -19.567 -22.723 -12.877 152 HG22 ILE 18 HG22 ILE 18 -19.046 -24.236 -12.137 153 HG23 ILE 18 HG23 ILE 18 -19.057 -24.073 -13.893 154 HD11 ILE 18 HD11 ILE 18 -16.512 -23.859 -10.412 155 HD12 ILE 18 HD12 ILE 18 -18.246 -23.546 -10.299 156 HD13 ILE 18 HD13 ILE 18 -17.098 -22.457 -9.515 157 H GLY 19 H GLY 19 -16.361 -26.600 -13.896 158 HA2 GLY 19 HA3 GLY 19 -16.337 -25.716 -16.713 159 HA3 GLY 19 HA2 GLY 19 -15.571 -27.189 -16.139 160 H GLY 20 H GLY 20 -17.625 -26.749 -18.216 161 HA2 GLY 20 HA3 GLY 20 -19.174 -28.404 -18.906 162 HA3 GLY 20 HA2 GLY 20 -19.498 -28.768 -17.218 163 H LEU 21 H LEU 21 -19.409 -25.437 -18.108 164 HA LEU 21 HA LEU 21 -22.289 -25.328 -17.672 165 HB2 LEU 21 HB3 LEU 21 -21.911 -22.841 -17.500 166 HB3 LEU 21 HB2 LEU 21 -21.193 -23.828 -16.246 167 HG LEU 21 HG LEU 21 -19.046 -23.654 -17.748 168 HD11 LEU 21 HD11 LEU 21 -18.845 -21.631 -18.985 169 HD12 LEU 21 HD12 LEU 21 -20.444 -21.097 -18.481 170 HD13 LEU 21 HD13 LEU 21 -20.281 -22.469 -19.575 171 HD21 LEU 21 HD21 LEU 21 -19.227 -22.835 -15.474 172 HD22 LEU 21 HD22 LEU 21 -20.089 -21.402 -16.037 173 HD23 LEU 21 HD23 LEU 21 -18.400 -21.650 -16.485 174 H SER 22 H SER 22 -23.440 -23.534 -18.968 175 HA SER 22 HA SER 22 -23.300 -24.508 -21.664 176 HB2 SER 22 HB3 SER 22 -25.167 -22.527 -20.350 177 HB3 SER 22 HB2 SER 22 -25.349 -23.141 -21.993 178 HG SER 22 HG SER 22 -26.611 -24.407 -20.697 179 H PHE 23 H PHE 23 -23.823 -22.762 -23.425 180 HA PHE 23 HA PHE 23 -21.446 -21.120 -23.500 181 HB2 PHE 23 HB3 PHE 23 -23.603 -21.547 -25.578 182 HB3 PHE 23 HB2 PHE 23 -22.070 -20.719 -25.846 183 HD1 PHE 23 HD1 PHE 23 -23.765 -23.853 -25.841 184 HD2 PHE 23 HD2 PHE 23 -19.927 -22.051 -25.486 185 HE1 PHE 23 HE1 PHE 23 -22.707 -26.008 -26.371 186 HE2 PHE 23 HE2 PHE 23 -18.862 -24.204 -26.020 187 HZ PHE 23 HZ PHE 23 -20.253 -26.186 -26.459 188 H GLU 24 H GLU 24 -24.626 -20.693 -22.523 189 HA GLU 24 HA GLU 24 -24.629 -17.828 -23.122 190 HB2 GLU 24 HB3 GLU 24 -26.769 -19.458 -21.747 191 HB3 GLU 24 HB2 GLU 24 -26.929 -17.832 -22.400 192 HG2 GLU 24 HG3 GLU 24 -26.485 -18.763 -24.657 193 HG3 GLU 24 HG2 GLU 24 -26.514 -20.374 -23.943 194 H THR 25 H THR 25 -23.670 -19.964 -20.755 195 HA THR 25 HA THR 25 -24.220 -18.488 -18.409 196 HB THR 25 HB THR 25 -22.030 -20.504 -18.933 197 HG1 THR 25 HG1 THR 25 -24.759 -20.701 -18.275 198 HG21 THR 25 HG21 THR 25 -23.209 -19.491 -16.340 199 HG22 THR 25 HG22 THR 25 -21.574 -19.191 -16.932 200 HG23 THR 25 HG23 THR 25 -22.066 -20.825 -16.485 201 H THR 26 H THR 26 -23.641 -16.376 -18.660 202 HA THR 26 HA THR 26 -20.871 -15.721 -19.260 203 HB THR 26 HB THR 26 -22.479 -14.340 -20.381 204 HG1 THR 26 HG1 THR 26 -21.624 -12.412 -19.855 205 HG21 THR 26 HG21 THR 26 -24.104 -12.958 -19.176 206 HG22 THR 26 HG22 THR 26 -23.607 -13.704 -17.657 207 HG23 THR 26 HG23 THR 26 -24.383 -14.678 -18.906 208 H ASP 27 H ASP 27 -19.909 -13.939 -17.802 209 HA ASP 27 HA ASP 27 -19.398 -15.171 -15.343 210 HB2 ASP 27 HB3 ASP 27 -17.742 -13.646 -15.140 211 HB3 ASP 27 HB2 ASP 27 -18.180 -13.221 -16.787 212 H GLU 28 H GLU 28 -21.522 -12.498 -16.171 213 HA GLU 28 HA GLU 28 -22.193 -11.795 -13.529 214 HB2 GLU 28 HB3 GLU 28 -24.084 -10.586 -14.480 215 HB3 GLU 28 HB2 GLU 28 -22.628 -10.315 -15.422 216 HG2 GLU 28 HG3 GLU 28 -23.379 -11.829 -17.125 217 HG3 GLU 28 HG2 GLU 28 -24.788 -12.267 -16.159 218 H SER 29 H SER 29 -23.549 -14.174 -15.737 219 HA SER 29 HA SER 29 -25.713 -14.885 -13.995 220 HB2 SER 29 HB3 SER 29 -24.438 -16.515 -16.210 221 HB3 SER 29 HB2 SER 29 -26.030 -16.773 -15.497 222 HG SER 29 HG SER 29 -26.268 -15.659 -17.413 223 H LEU 30 H LEU 30 -22.466 -16.004 -14.646 224 HA LEU 30 HA LEU 30 -22.629 -18.453 -13.231 225 HB2 LEU 30 HB3 LEU 30 -20.949 -17.742 -15.021 226 HB3 LEU 30 HB2 LEU 30 -20.123 -16.856 -13.759 227 HG LEU 30 HG LEU 30 -19.167 -19.120 -14.360 228 HD11 LEU 30 HD11 LEU 30 -19.978 -18.684 -11.492 229 HD12 LEU 30 HD12 LEU 30 -18.566 -17.993 -12.291 230 HD13 LEU 30 HD13 LEU 30 -18.679 -19.736 -12.051 231 HD21 LEU 30 HD21 LEU 30 -21.253 -20.331 -14.602 232 HD22 LEU 30 HD22 LEU 30 -21.617 -20.078 -12.894 233 HD23 LEU 30 HD23 LEU 30 -20.243 -21.077 -13.364 234 H ARG 31 H ARG 31 -21.269 -15.285 -12.387 235 HA ARG 31 HA ARG 31 -20.425 -16.074 -9.809 236 HB2 ARG 31 HB3 ARG 31 -19.788 -13.858 -9.479 237 HB3 ARG 31 HB2 ARG 31 -19.692 -14.033 -11.225 238 HG2 ARG 31 HG3 ARG 31 -22.107 -13.107 -11.202 239 HG3 ARG 31 HG2 ARG 31 -21.690 -12.559 -9.574 240 HD2 ARG 31 HD3 ARG 31 -19.772 -11.336 -10.479 241 HD3 ARG 31 HD2 ARG 31 -20.179 -11.890 -12.103 242 HE ARG 31 HE ARG 31 -22.183 -10.359 -10.616 243 HH11 ARG 31 HH11 ARG 31 -19.866 -10.536 -13.260 244 HH12 ARG 31 HH12 ARG 31 -20.449 -9.085 -14.024 245 HH21 ARG 31 HH21 ARG 31 -22.920 -8.431 -11.616 246 HH22 ARG 31 HH22 ARG 31 -22.150 -7.873 -13.077 247 H SER 32 H SER 32 -23.447 -14.741 -11.053 248 HA SER 32 HA SER 32 -24.506 -13.987 -8.543 249 HB2 SER 32 HB3 SER 32 -25.331 -13.212 -10.807 250 HB3 SER 32 HB2 SER 32 -26.114 -14.783 -10.976 251 HG SER 32 HG SER 32 -26.576 -12.890 -8.905 252 H HIS 33 H HIS 33 -24.725 -16.977 -10.444 253 HA HIS 33 HA HIS 33 -26.507 -18.264 -8.630 254 HB2 HIS 33 HB3 HIS 33 -24.707 -19.322 -10.810 255 HB3 HIS 33 HB2 HIS 33 -25.675 -20.387 -9.800 256 HD2 HIS 33 HD2 HIS 33 -25.984 -18.278 -12.941 257 HE1 HIS 33 HE1 HIS 33 -29.896 -19.436 -11.820 258 HE2 HIS 33 HE2 HIS 33 -28.500 -18.225 -13.560 259 H PHE 34 H PHE 34 -23.051 -17.851 -8.739 260 HA PHE 34 HA PHE 34 -22.666 -19.882 -6.697 261 HB2 PHE 34 HB3 PHE 34 -20.802 -18.282 -8.411 262 HB3 PHE 34 HB2 PHE 34 -20.202 -19.064 -6.952 263 HD1 PHE 34 HD1 PHE 34 -19.828 -21.388 -6.871 264 HD2 PHE 34 HD2 PHE 34 -21.810 -19.674 -10.221 265 HE1 PHE 34 HE1 PHE 34 -19.623 -23.520 -8.078 266 HE2 PHE 34 HE2 PHE 34 -21.608 -21.803 -11.436 267 HZ PHE 34 HZ PHE 34 -20.514 -23.732 -10.365 268 H GLU 35 H GLU 35 -23.173 -16.510 -6.879 269 HA GLU 35 HA GLU 35 -21.896 -15.768 -4.440 270 HB2 GLU 35 HB3 GLU 35 -24.009 -14.496 -6.138 271 HB3 GLU 35 HB2 GLU 35 -23.630 -13.837 -4.557 272 HG2 GLU 35 HG3 GLU 35 -21.242 -13.681 -5.345 273 HG3 GLU 35 HG2 GLU 35 -21.849 -14.050 -6.957 274 H GLN 36 H GLN 36 -24.226 -17.918 -4.881 275 HA GLN 36 HA GLN 36 -26.114 -17.041 -2.871 276 HB2 GLN 36 HB3 GLN 36 -25.964 -19.358 -4.764 277 HB3 GLN 36 HB2 GLN 36 -27.111 -19.359 -3.431 278 HG2 GLN 36 HG3 GLN 36 -28.208 -17.422 -4.264 279 HG3 GLN 36 HG2 GLN 36 -26.931 -17.132 -5.442 280 HE21 GLN 36 HE21 GLN 36 -26.676 -19.844 -6.296 281 HE22 GLN 36 HE22 GLN 36 -28.093 -20.230 -7.215 282 H TRP 37 H TRP 37 -23.400 -19.204 -3.111 283 HA TRP 37 HA TRP 37 -23.975 -20.122 -0.373 284 HB2 TRP 37 HB3 TRP 37 -22.281 -21.444 -2.507 285 HB3 TRP 37 HB2 TRP 37 -22.414 -22.008 -0.847 286 HD1 TRP 37 HD1 TRP 37 -24.632 -23.269 -0.143 287 HE1 TRP 37 HE1 TRP 37 -26.575 -24.281 -1.482 288 HE3 TRP 37 HE3 TRP 37 -23.699 -21.095 -4.666 289 HZ2 TRP 37 HZ2 TRP 37 -27.583 -24.171 -4.114 290 HZ3 TRP 37 HZ3 TRP 37 -25.201 -21.604 -6.544 291 HH2 TRP 37 HH2 TRP 37 -27.100 -23.110 -6.275 292 H GLY 38 H GLY 38 -22.492 -17.728 -1.721 293 HA2 GLY 38 HA3 GLY 38 -20.839 -17.046 0.345 294 HA3 GLY 38 HA2 GLY 38 -19.813 -17.980 -0.729 295 H THR 39 H THR 39 -18.854 -15.660 -0.429 296 HA THR 39 HA THR 39 -19.956 -13.831 -2.448 297 HB THR 39 HB THR 39 -18.039 -13.446 -0.152 298 HG1 THR 39 HG1 THR 39 -20.276 -13.370 0.332 299 HG21 THR 39 HG21 THR 39 -17.974 -11.039 -0.835 300 HG22 THR 39 HG22 THR 39 -18.699 -11.516 -2.375 301 HG23 THR 39 HG23 THR 39 -17.108 -12.133 -1.916 302 H LEU 40 H LEU 40 -18.988 -13.771 -4.429 303 HA LEU 40 HA LEU 40 -16.362 -14.970 -4.712 304 HB2 LEU 40 HB3 LEU 40 -18.090 -13.694 -6.836 305 HB3 LEU 40 HB2 LEU 40 -16.593 -14.549 -7.121 306 HG LEU 40 HG LEU 40 -18.120 -16.151 -7.680 307 HD11 LEU 40 HD11 LEU 40 -17.793 -16.575 -4.734 308 HD12 LEU 40 HD12 LEU 40 -16.692 -17.114 -6.004 309 HD13 LEU 40 HD13 LEU 40 -18.319 -17.792 -5.894 310 HD21 LEU 40 HD21 LEU 40 -19.876 -15.240 -5.437 311 HD22 LEU 40 HD22 LEU 40 -20.231 -16.545 -6.569 312 HD23 LEU 40 HD23 LEU 40 -20.088 -14.886 -7.151 313 H THR 41 H THR 41 -14.636 -13.871 -4.336 314 HA THR 41 HA THR 41 -14.568 -10.983 -4.442 315 HB THR 41 HB THR 41 -12.173 -11.305 -3.769 316 HG1 THR 41 HG1 THR 41 -12.605 -13.996 -3.195 317 HG21 THR 41 HG21 THR 41 -12.660 -12.136 -1.524 318 HG22 THR 41 HG22 THR 41 -14.187 -12.814 -2.096 319 HG23 THR 41 HG23 THR 41 -13.945 -11.065 -2.084 320 H ASP 42 H ASP 42 -13.867 -13.675 -6.423 321 HA ASP 42 HA ASP 42 -13.179 -11.871 -8.612 322 HB2 ASP 42 HB3 ASP 42 -11.023 -12.778 -7.811 323 HB3 ASP 42 HB2 ASP 42 -11.641 -14.415 -8.020 324 H CYS 43 H CYS 43 -14.217 -12.405 -10.463 325 HA CYS 43 HA CYS 43 -15.262 -15.095 -10.799 326 HB2 CYS 43 HB3 CYS 43 -17.558 -14.084 -11.333 327 HB3 CYS 43 HB2 CYS 43 -17.109 -14.223 -9.637 328 HG CYS 43 HG CYS 43 -16.188 -11.440 -9.666 329 H VAL 44 H VAL 44 -15.245 -15.710 -12.880 330 HA VAL 44 HA VAL 44 -15.497 -13.838 -15.043 331 HB VAL 44 HB VAL 44 -13.170 -13.384 -14.316 332 HG11 VAL 44 HG11 VAL 44 -12.596 -15.573 -13.440 333 HG12 VAL 44 HG12 VAL 44 -11.430 -15.069 -14.663 334 HG13 VAL 44 HG13 VAL 44 -12.668 -16.260 -15.063 335 HG21 VAL 44 HG21 VAL 44 -13.383 -14.720 -17.011 336 HG22 VAL 44 HG22 VAL 44 -12.118 -13.596 -16.512 337 HG23 VAL 44 HG23 VAL 44 -13.787 -13.043 -16.643 338 H VAL 45 H VAL 45 -15.717 -14.861 -17.062 339 HA VAL 45 HA VAL 45 -15.577 -17.805 -17.040 340 HB VAL 45 HB VAL 45 -17.423 -17.843 -18.682 341 HG11 VAL 45 HG11 VAL 45 -18.097 -16.472 -16.086 342 HG12 VAL 45 HG12 VAL 45 -17.903 -18.206 -16.331 343 HG13 VAL 45 HG13 VAL 45 -19.234 -17.351 -17.108 344 HG21 VAL 45 HG21 VAL 45 -18.809 -15.847 -19.011 345 HG22 VAL 45 HG22 VAL 45 -17.168 -15.608 -19.611 346 HG23 VAL 45 HG23 VAL 45 -17.658 -14.897 -18.072 347 H MET 46 H MET 46 -15.005 -18.794 -19.023 348 HA MET 46 HA MET 46 -13.141 -17.087 -20.478 349 HB2 MET 46 HB3 MET 46 -13.306 -20.030 -20.002 350 HB3 MET 46 HB2 MET 46 -12.373 -19.414 -21.354 351 HG2 MET 46 HG3 MET 46 -10.980 -19.808 -19.400 352 HG3 MET 46 HG2 MET 46 -10.996 -18.113 -19.864 353 HE1 MET 46 HE1 MET 46 -9.841 -19.050 -17.150 354 HE2 MET 46 HE2 MET 46 -10.548 -17.875 -16.040 355 HE3 MET 46 HE3 MET 46 -9.963 -17.352 -17.622 356 H ARG 47 H ARG 47 -13.258 -16.662 -22.521 357 HA ARG 47 HA ARG 47 -15.493 -17.747 -24.086 358 HB2 ARG 47 HB3 ARG 47 -13.865 -15.226 -24.454 359 HB3 ARG 47 HB2 ARG 47 -15.086 -15.781 -25.585 360 HG2 ARG 47 HG3 ARG 47 -16.140 -14.129 -24.324 361 HG3 ARG 47 HG2 ARG 47 -16.725 -15.646 -23.648 362 HD2 ARG 47 HD3 ARG 47 -15.165 -15.452 -21.799 363 HD3 ARG 47 HD2 ARG 47 -14.494 -13.977 -22.495 364 HE ARG 47 HE ARG 47 -17.349 -13.940 -21.952 365 HH11 ARG 47 HH11 ARG 47 -14.148 -13.222 -20.735 366 HH12 ARG 47 HH12 ARG 47 -14.683 -11.947 -19.687 367 HH21 ARG 47 HH21 ARG 47 -18.072 -12.278 -20.566 368 HH22 ARG 47 HH22 ARG 47 -16.929 -11.427 -19.571 369 H ASP 48 H ASP 48 -15.039 -18.157 -26.385 370 HA ASP 48 HA ASP 48 -12.778 -19.764 -26.811 371 HB2 ASP 48 HB3 ASP 48 -14.990 -19.742 -28.120 372 HB3 ASP 48 HB2 ASP 48 -14.314 -18.370 -28.991 373 HA PRO 49 HA PRO 49 -9.704 -16.646 -27.570 374 HB2 PRO 49 HB3 PRO 49 -7.872 -18.183 -28.856 375 HB3 PRO 49 HB2 PRO 49 -8.128 -18.239 -27.110 376 HG2 PRO 49 HG3 PRO 49 -9.165 -20.076 -29.234 377 HG3 PRO 49 HG2 PRO 49 -8.483 -20.473 -27.644 378 HD2 PRO 49 HD3 PRO 49 -11.142 -20.443 -28.109 379 HD3 PRO 49 HD2 PRO 49 -10.448 -19.983 -26.540 380 H ASN 50 H ASN 50 -11.439 -18.296 -29.990 381 HA ASN 50 HA ASN 50 -10.271 -16.616 -32.114 382 HB2 ASN 50 HB3 ASN 50 -12.102 -18.958 -32.587 383 HB3 ASN 50 HB2 ASN 50 -10.959 -18.219 -33.700 384 HD21 ASN 50 HD21 ASN 50 -11.353 -20.299 -30.943 385 HD22 ASN 50 HD22 ASN 50 -9.792 -21.077 -31.068 386 H THR 51 H THR 51 -13.366 -18.033 -31.077 387 HA THR 51 HA THR 51 -14.842 -16.171 -32.710 388 HB THR 51 HB THR 51 -16.787 -17.397 -32.133 389 HG1 THR 51 HG1 THR 51 -16.661 -19.002 -30.392 390 HG21 THR 51 HG21 THR 51 -16.138 -19.717 -32.540 391 HG22 THR 51 HG22 THR 51 -14.469 -19.329 -32.118 392 HG23 THR 51 HG23 THR 51 -15.205 -18.619 -33.558 393 H LYS 52 H LYS 52 -13.878 -16.422 -29.410 394 HA LYS 52 HA LYS 52 -13.970 -14.989 -27.658 395 HB2 LYS 52 HB3 LYS 52 -15.118 -13.052 -29.676 396 HB3 LYS 52 HB2 LYS 52 -14.588 -12.629 -28.056 397 HG2 LYS 52 HG3 LYS 52 -12.804 -13.776 -30.182 398 HG3 LYS 52 HG2 LYS 52 -12.962 -12.058 -29.813 399 HD2 LYS 52 HD3 LYS 52 -12.460 -13.026 -27.350 400 HD3 LYS 52 HD2 LYS 52 -11.575 -14.198 -28.333 401 HE2 LYS 52 HE3 LYS 52 -10.433 -12.344 -29.470 402 HE3 LYS 52 HE2 LYS 52 -11.286 -11.206 -28.430 403 HZ1 LYS 52 HZ1 LYS 52 -10.216 -12.346 -26.508 404 HZ2 LYS 52 HZ2 LYS 52 -9.134 -11.542 -27.535 405 HZ3 LYS 52 HZ3 LYS 52 -9.275 -13.229 -27.613 406 H ARG 53 H ARG 53 -16.278 -16.699 -28.560 407 HA ARG 53 HA ARG 53 -18.554 -15.237 -27.480 408 HB2 ARG 53 HB3 ARG 53 -18.437 -18.036 -28.613 409 HB3 ARG 53 HB2 ARG 53 -19.894 -17.129 -28.225 410 HG2 ARG 53 HG3 ARG 53 -17.867 -16.374 -30.320 411 HG3 ARG 53 HG2 ARG 53 -19.435 -17.126 -30.619 412 HD2 ARG 53 HD3 ARG 53 -19.087 -14.480 -29.226 413 HD3 ARG 53 HD2 ARG 53 -19.361 -14.643 -30.960 414 HE ARG 53 HE ARG 53 -21.418 -16.039 -29.949 415 HH11 ARG 53 HH11 ARG 53 -20.186 -12.865 -29.093 416 HH12 ARG 53 HH12 ARG 53 -21.758 -12.231 -28.694 417 HH21 ARG 53 HH21 ARG 53 -23.459 -15.208 -29.438 418 HH22 ARG 53 HH22 ARG 53 -23.629 -13.556 -28.925 419 H SER 54 H SER 54 -17.598 -18.639 -27.001 420 HA SER 54 HA SER 54 -17.338 -18.270 -24.147 421 HB2 SER 54 HB3 SER 54 -19.189 -20.034 -23.765 422 HB3 SER 54 HB2 SER 54 -19.691 -18.380 -24.121 423 HG SER 54 HG SER 54 -20.570 -19.043 -25.912 424 H ARG 55 H ARG 55 -16.620 -20.240 -23.059 425 HA ARG 55 HA ARG 55 -15.734 -22.331 -24.926 426 HB2 ARG 55 HB3 ARG 55 -14.152 -20.735 -23.057 427 HB3 ARG 55 HB2 ARG 55 -13.885 -22.466 -22.904 428 HG2 ARG 55 HG3 ARG 55 -13.536 -22.500 -25.410 429 HG3 ARG 55 HG2 ARG 55 -13.511 -20.737 -25.332 430 HD2 ARG 55 HD3 ARG 55 -11.727 -22.330 -23.540 431 HD3 ARG 55 HD2 ARG 55 -11.280 -22.088 -25.227 432 HE ARG 55 HE ARG 55 -11.913 -19.591 -24.275 433 HH11 ARG 55 HH11 ARG 55 -9.631 -22.096 -23.384 434 HH12 ARG 55 HH12 ARG 55 -8.407 -20.967 -22.867 435 HH21 ARG 55 HH21 ARG 55 -10.312 -18.117 -23.606 436 HH22 ARG 55 HH22 ARG 55 -8.783 -18.705 -23.017 437 H GLY 56 H GLY 56 -17.789 -21.765 -22.481 438 HA2 GLY 56 HA3 GLY 56 -19.175 -23.323 -21.487 439 HA3 GLY 56 HA2 GLY 56 -18.153 -24.592 -22.141 440 H PHE 57 H PHE 57 -16.688 -22.093 -20.214 441 HA PHE 57 HA PHE 57 -17.097 -23.355 -17.698 442 HB2 PHE 57 HB3 PHE 57 -14.914 -24.224 -17.254 443 HB3 PHE 57 HB2 PHE 57 -15.445 -24.921 -18.779 444 HD1 PHE 57 HD1 PHE 57 -12.942 -23.041 -17.095 445 HD2 PHE 57 HD2 PHE 57 -14.546 -23.934 -20.923 446 HE1 PHE 57 HE1 PHE 57 -10.873 -22.216 -18.147 447 HE2 PHE 57 HE2 PHE 57 -12.483 -23.121 -21.989 448 HZ PHE 57 HZ PHE 57 -10.643 -22.259 -20.601 449 H GLY 58 H GLY 58 -15.777 -22.319 -15.961 450 HA2 GLY 58 HA3 GLY 58 -14.460 -19.828 -16.552 451 HA3 GLY 58 HA2 GLY 58 -16.064 -19.609 -15.869 452 H PHE 59 H PHE 59 -14.643 -18.505 -14.199 453 HA PHE 59 HA PHE 59 -13.956 -20.458 -12.111 454 HB2 PHE 59 HB3 PHE 59 -12.248 -18.130 -12.991 455 HB3 PHE 59 HB2 PHE 59 -12.022 -18.973 -11.467 456 HD1 PHE 59 HD1 PHE 59 -11.041 -21.161 -11.392 457 HD2 PHE 59 HD2 PHE 59 -11.701 -19.192 -15.099 458 HE1 PHE 59 HE1 PHE 59 -9.530 -22.752 -12.504 459 HE2 PHE 59 HE2 PHE 59 -10.197 -20.778 -16.221 460 HZ PHE 59 HZ PHE 59 -9.103 -22.555 -14.920 461 H VAL 60 H VAL 60 -14.061 -19.661 -9.980 462 HA VAL 60 HA VAL 60 -14.984 -16.957 -9.491 463 HB VAL 60 HB VAL 60 -16.779 -18.061 -7.882 464 HG11 VAL 60 HG11 VAL 60 -17.270 -16.322 -9.461 465 HG12 VAL 60 HG12 VAL 60 -18.488 -17.592 -9.586 466 HG13 VAL 60 HG13 VAL 60 -17.210 -17.474 -10.797 467 HG21 VAL 60 HG21 VAL 60 -17.981 -19.874 -9.031 468 HG22 VAL 60 HG22 VAL 60 -16.368 -20.351 -8.506 469 HG23 VAL 60 HG23 VAL 60 -16.666 -19.973 -10.202 470 H THR 61 H THR 61 -13.687 -16.273 -7.969 471 HA THR 61 HA THR 61 -12.634 -18.142 -5.978 472 HB THR 61 HB THR 61 -11.956 -15.218 -6.380 473 HG1 THR 61 HG1 THR 61 -9.902 -16.387 -7.140 474 HG21 THR 61 HG21 THR 61 -9.970 -15.744 -5.026 475 HG22 THR 61 HG22 THR 61 -10.574 -17.384 -4.791 476 HG23 THR 61 HG23 THR 61 -11.465 -16.013 -4.127 477 H TYR 62 H TYR 62 -13.635 -18.323 -4.077 478 HA TYR 62 HA TYR 62 -15.658 -16.402 -3.331 479 HB2 TYR 62 HB3 TYR 62 -14.692 -18.997 -2.151 480 HB3 TYR 62 HB2 TYR 62 -15.792 -17.950 -1.263 481 HD1 TYR 62 HD1 TYR 62 -18.088 -17.832 -1.817 482 HD2 TYR 62 HD2 TYR 62 -15.434 -20.008 -4.326 483 HE1 TYR 62 HE1 TYR 62 -20.009 -18.820 -2.979 484 HE2 TYR 62 HE2 TYR 62 -17.355 -21.004 -5.498 485 HH TYR 62 HH TYR 62 -20.565 -19.853 -5.037 486 H ALA 63 H ALA 63 -15.634 -15.918 -0.790 487 HA ALA 63 HA ALA 63 -13.326 -14.226 -0.411 488 HB1 ALA 63 HB1 ALA 63 -15.619 -13.509 0.199 489 HB2 ALA 63 HB2 ALA 63 -14.485 -13.410 1.549 490 HB3 ALA 63 HB3 ALA 63 -15.636 -14.745 1.464 491 H THR 64 H THR 64 -14.581 -17.222 0.843 492 HA THR 64 HA THR 64 -11.972 -17.811 1.968 493 HB THR 64 HB THR 64 -13.052 -16.842 3.893 494 HG1 THR 64 HG1 THR 64 -13.040 -18.699 5.287 495 HG21 THR 64 HG21 THR 64 -15.374 -17.031 3.189 496 HG22 THR 64 HG22 THR 64 -15.156 -17.726 4.798 497 HG23 THR 64 HG23 THR 64 -15.307 -18.784 3.394 498 H VAL 65 H VAL 65 -11.680 -20.063 2.406 499 HA VAL 65 HA VAL 65 -12.618 -21.778 0.452 500 HB VAL 65 HB VAL 65 -11.727 -23.625 1.876 501 HG11 VAL 65 HG11 VAL 65 -9.407 -22.853 1.788 502 HG12 VAL 65 HG12 VAL 65 -9.971 -21.196 1.573 503 HG13 VAL 65 HG13 VAL 65 -10.298 -22.407 0.334 504 HG21 VAL 65 HG21 VAL 65 -10.555 -23.031 3.951 505 HG22 VAL 65 HG22 VAL 65 -12.286 -22.723 4.072 506 HG23 VAL 65 HG23 VAL 65 -11.168 -21.382 3.821 507 H GLU 66 H GLU 66 -13.997 -21.064 3.580 508 HA GLU 66 HA GLU 66 -15.635 -23.278 3.959 509 HB2 GLU 66 HB3 GLU 66 -16.253 -20.403 4.645 510 HB3 GLU 66 HB2 GLU 66 -17.027 -21.817 5.345 511 HG2 GLU 66 HG3 GLU 66 -14.150 -20.997 5.642 512 HG3 GLU 66 HG2 GLU 66 -15.405 -20.949 6.879 513 H GLU 67 H GLU 67 -16.053 -20.469 1.938 514 HA GLU 67 HA GLU 67 -18.803 -20.991 1.340 515 HB2 GLU 67 HB3 GLU 67 -16.903 -19.245 -0.207 516 HB3 GLU 67 HB2 GLU 67 -18.653 -19.127 -0.124 517 HG2 GLU 67 HG3 GLU 67 -18.433 -18.573 2.287 518 HG3 GLU 67 HG2 GLU 67 -16.689 -18.529 2.060 519 H VAL 68 H VAL 68 -15.704 -21.493 -0.264 520 HA VAL 68 HA VAL 68 -16.587 -22.473 -2.719 521 HB VAL 68 HB VAL 68 -14.125 -23.190 -1.120 522 HG11 VAL 68 HG11 VAL 68 -14.570 -25.072 -2.536 523 HG12 VAL 68 HG12 VAL 68 -13.262 -24.138 -3.264 524 HG13 VAL 68 HG13 VAL 68 -14.900 -24.019 -3.908 525 HG21 VAL 68 HG21 VAL 68 -14.258 -20.888 -1.944 526 HG22 VAL 68 HG22 VAL 68 -14.517 -21.499 -3.580 527 HG23 VAL 68 HG23 VAL 68 -12.985 -21.798 -2.760 528 H ASP 69 H ASP 69 -15.822 -24.248 0.254 529 HA ASP 69 HA ASP 69 -16.511 -26.781 -0.726 530 HB2 ASP 69 HB3 ASP 69 -16.248 -25.640 2.034 531 HB3 ASP 69 HB2 ASP 69 -16.857 -27.277 1.803 532 H ALA 70 H ALA 70 -18.462 -24.236 0.714 533 HA ALA 70 HA ALA 70 -20.782 -25.778 1.164 534 HB1 ALA 70 HB1 ALA 70 -20.588 -22.828 0.547 535 HB2 ALA 70 HB2 ALA 70 -20.438 -23.554 2.148 536 HB3 ALA 70 HB3 ALA 70 -21.966 -23.654 1.274 537 H ALA 71 H ALA 71 -19.641 -23.912 -1.614 538 HA ALA 71 HA ALA 71 -21.901 -24.325 -3.262 539 HB1 ALA 71 HB1 ALA 71 -20.455 -23.648 -5.102 540 HB2 ALA 71 HB2 ALA 71 -19.036 -23.842 -4.073 541 HB3 ALA 71 HB3 ALA 71 -20.226 -22.593 -3.706 542 H MET 72 H MET 72 -19.006 -26.202 -2.628 543 HA MET 72 HA MET 72 -19.384 -28.092 -4.712 544 HB2 MET 72 HB3 MET 72 -17.915 -28.424 -2.093 545 HB3 MET 72 HB2 MET 72 -17.804 -29.507 -3.471 546 HG2 MET 72 HG3 MET 72 -17.005 -27.410 -4.761 547 HG3 MET 72 HG2 MET 72 -16.734 -26.739 -3.156 548 HE1 MET 72 HE1 MET 72 -13.202 -27.890 -4.668 549 HE2 MET 72 HE2 MET 72 -14.185 -26.489 -4.242 550 HE3 MET 72 HE3 MET 72 -14.606 -27.468 -5.647 551 H ASN 73 H ASN 73 -20.377 -27.972 -1.320 552 HA ASN 73 HA ASN 73 -21.540 -30.556 -1.234 553 HB2 ASN 73 HB3 ASN 73 -21.949 -28.079 0.437 554 HB3 ASN 73 HB2 ASN 73 -22.893 -29.536 0.710 555 HD21 ASN 73 HD21 ASN 73 -19.843 -27.994 1.095 556 HD22 ASN 73 HD22 ASN 73 -19.093 -29.237 2.032 557 H ALA 74 H ALA 74 -22.529 -27.644 -2.690 558 HA ALA 74 HA ALA 74 -25.368 -28.176 -2.492 559 HB1 ALA 74 HB1 ALA 74 -24.542 -25.894 -2.281 560 HB2 ALA 74 HB2 ALA 74 -25.627 -26.057 -3.664 561 HB3 ALA 74 HB3 ALA 74 -23.884 -25.978 -3.917 562 H ARG 75 H ARG 75 -23.270 -29.755 -4.239 563 HA ARG 75 HA ARG 75 -24.346 -29.443 -6.883 564 HB2 ARG 75 HB3 ARG 75 -23.011 -31.430 -7.456 565 HB3 ARG 75 HB2 ARG 75 -22.056 -30.201 -6.641 566 HG2 ARG 75 HG3 ARG 75 -21.965 -31.444 -4.648 567 HG3 ARG 75 HG2 ARG 75 -23.245 -32.536 -5.181 568 HD2 ARG 75 HD3 ARG 75 -20.881 -33.437 -5.285 569 HD3 ARG 75 HD2 ARG 75 -21.843 -33.583 -6.753 570 HE ARG 75 HE ARG 75 -20.597 -31.706 -7.660 571 HH11 ARG 75 HH11 ARG 75 -19.279 -33.222 -4.783 572 HH12 ARG 75 HH12 ARG 75 -17.648 -32.684 -5.095 573 HH21 ARG 75 HH21 ARG 75 -18.462 -31.034 -8.086 574 HH22 ARG 75 HH22 ARG 75 -17.183 -31.445 -6.985 575 HA PRO 76 HA PRO 76 -24.494 -31.117 -8.744 576 HB2 PRO 76 HB3 PRO 76 -26.740 -30.991 -10.302 577 HB3 PRO 76 HB2 PRO 76 -25.871 -32.490 -9.951 578 HG2 PRO 76 HG3 PRO 76 -28.345 -31.388 -8.679 579 HG3 PRO 76 HG2 PRO 76 -27.974 -33.058 -9.153 580 HD2 PRO 76 HD3 PRO 76 -27.798 -32.223 -6.597 581 HD3 PRO 76 HD2 PRO 76 -26.698 -33.444 -7.269 582 H HIS 77 H HIS 77 -23.903 -29.107 -9.207 583 HA HIS 77 HA HIS 77 -25.382 -26.879 -8.184 584 HB2 HIS 77 HB3 HIS 77 -22.790 -27.166 -8.477 585 HB3 HIS 77 HB2 HIS 77 -23.098 -26.580 -10.109 586 HD2 HIS 77 HD2 HIS 77 -22.301 -25.210 -6.731 587 HE1 HIS 77 HE1 HIS 77 -24.275 -22.097 -8.812 588 HE2 HIS 77 HE2 HIS 77 -22.739 -22.659 -6.874 589 H LYS 78 H LYS 78 -26.240 -25.147 -9.443 590 HA LYS 78 HA LYS 78 -26.968 -25.885 -12.181 591 HB2 LYS 78 HB3 LYS 78 -28.798 -26.599 -10.683 592 HB3 LYS 78 HB2 LYS 78 -28.916 -24.961 -10.058 593 HG2 LYS 78 HG3 LYS 78 -30.669 -25.348 -11.659 594 HG3 LYS 78 HG2 LYS 78 -29.527 -24.172 -12.312 595 HD2 LYS 78 HD3 LYS 78 -30.135 -25.741 -14.041 596 HD3 LYS 78 HD2 LYS 78 -28.446 -25.992 -13.594 597 HE2 LYS 78 HE3 LYS 78 -29.563 -28.121 -13.859 598 HE3 LYS 78 HE2 LYS 78 -29.121 -27.876 -12.170 599 HZ1 LYS 78 HZ1 LYS 78 -31.339 -28.769 -12.340 600 HZ2 LYS 78 HZ2 LYS 78 -31.823 -27.498 -13.352 601 HZ3 LYS 78 HZ3 LYS 78 -31.419 -27.189 -11.732 602 H VAL 79 H VAL 79 -26.270 -24.305 -13.407 603 HA VAL 79 HA VAL 79 -26.906 -21.551 -12.646 604 HB VAL 79 HB VAL 79 -24.658 -21.484 -12.068 605 HG11 VAL 79 HG11 VAL 79 -24.055 -23.722 -12.724 606 HG12 VAL 79 HG12 VAL 79 -22.851 -22.573 -13.311 607 HG13 VAL 79 HG13 VAL 79 -24.042 -23.249 -14.425 608 HG21 VAL 79 HG21 VAL 79 -25.126 -19.726 -13.676 609 HG22 VAL 79 HG22 VAL 79 -24.670 -20.795 -15.003 610 HG23 VAL 79 HG23 VAL 79 -23.458 -20.278 -13.830 611 H ASP 80 H ASP 80 -28.075 -20.665 -14.161 612 HA ASP 80 HA ASP 80 -29.121 -20.224 -16.110 613 HB2 ASP 80 HB3 ASP 80 -26.328 -20.788 -17.074 614 HB3 ASP 80 HB2 ASP 80 -27.621 -20.433 -18.212 615 H GLY 81 H GLY 81 -29.475 -22.802 -15.029 616 HA2 GLY 81 HA3 GLY 81 -30.767 -24.609 -15.681 617 HA3 GLY 81 HA2 GLY 81 -30.619 -24.076 -17.346 618 H ARG 82 H ARG 82 -27.575 -24.202 -16.055 619 HA ARG 82 HA ARG 82 -27.157 -26.852 -17.257 620 HB2 ARG 82 HB3 ARG 82 -26.039 -25.003 -18.412 621 HB3 ARG 82 HB2 ARG 82 -25.235 -24.543 -16.919 622 HG2 ARG 82 HG3 ARG 82 -23.746 -25.761 -18.409 623 HG3 ARG 82 HG2 ARG 82 -24.014 -26.638 -16.904 624 HD2 ARG 82 HD3 ARG 82 -24.083 -28.142 -18.822 625 HD3 ARG 82 HD2 ARG 82 -25.651 -28.065 -18.018 626 HE ARG 82 HE ARG 82 -25.517 -26.179 -20.129 627 HH11 ARG 82 HH11 ARG 82 -25.927 -29.594 -19.477 628 HH12 ARG 82 HH12 ARG 82 -26.727 -29.920 -20.989 629 HH21 ARG 82 HH21 ARG 82 -26.612 -26.583 -22.080 630 HH22 ARG 82 HH22 ARG 82 -27.130 -28.195 -22.473 631 H VAL 83 H VAL 83 -26.209 -28.442 -16.126 632 HA VAL 83 HA VAL 83 -25.547 -27.966 -13.330 633 HB VAL 83 HB VAL 83 -25.514 -30.547 -14.909 634 HG11 VAL 83 HG11 VAL 83 -24.059 -30.625 -12.955 635 HG12 VAL 83 HG12 VAL 83 -25.479 -31.643 -12.720 636 HG13 VAL 83 HG13 VAL 83 -25.383 -30.067 -11.933 637 HG21 VAL 83 HG21 VAL 83 -27.753 -29.617 -14.800 638 HG22 VAL 83 HG22 VAL 83 -27.609 -29.433 -13.052 639 HG23 VAL 83 HG23 VAL 83 -27.629 -31.044 -13.770 640 H VAL 84 H VAL 84 -23.517 -27.682 -12.639 641 HA VAL 84 HA VAL 84 -21.350 -28.177 -14.571 642 HB VAL 84 HB VAL 84 -20.123 -26.321 -13.548 643 HG11 VAL 84 HG11 VAL 84 -21.503 -25.883 -15.498 644 HG12 VAL 84 HG12 VAL 84 -21.503 -24.493 -14.412 645 HG13 VAL 84 HG13 VAL 84 -22.895 -25.574 -14.462 646 HG21 VAL 84 HG21 VAL 84 -21.088 -26.429 -11.301 647 HG22 VAL 84 HG22 VAL 84 -22.631 -25.857 -11.935 648 HG23 VAL 84 HG23 VAL 84 -21.216 -24.805 -11.978 649 H GLU 85 H GLU 85 -19.175 -28.303 -13.483 650 HA GLU 85 HA GLU 85 -19.363 -29.767 -10.938 651 HB2 GLU 85 HB3 GLU 85 -18.723 -31.267 -12.785 652 HB3 GLU 85 HB2 GLU 85 -17.378 -30.206 -13.181 653 HG2 GLU 85 HG3 GLU 85 -16.345 -30.671 -11.038 654 HG3 GLU 85 HG2 GLU 85 -17.716 -31.677 -10.577 655 HA PRO 86 HA PRO 86 -16.765 -26.224 -9.999 656 HB2 PRO 86 HB3 PRO 86 -17.516 -26.077 -7.374 657 HB3 PRO 86 HB2 PRO 86 -18.400 -25.333 -8.706 658 HG2 PRO 86 HG3 PRO 86 -19.121 -27.643 -7.074 659 HG3 PRO 86 HG2 PRO 86 -20.136 -26.661 -8.136 660 HD2 PRO 86 HD3 PRO 86 -18.987 -29.249 -8.645 661 HD3 PRO 86 HD2 PRO 86 -20.059 -28.295 -9.686 662 H LYS 87 H LYS 87 -14.701 -26.637 -9.805 663 HA LYS 87 HA LYS 87 -13.806 -28.764 -7.958 664 HB2 LYS 87 HB3 LYS 87 -12.442 -27.940 -10.524 665 HB3 LYS 87 HB2 LYS 87 -12.181 -29.404 -9.583 666 HG2 LYS 87 HG3 LYS 87 -14.137 -30.391 -10.326 667 HG3 LYS 87 HG2 LYS 87 -14.859 -28.850 -10.789 668 HD2 LYS 87 HD3 LYS 87 -14.296 -29.951 -12.799 669 HD3 LYS 87 HD2 LYS 87 -13.077 -28.698 -12.570 670 HE2 LYS 87 HE3 LYS 87 -12.115 -30.833 -13.308 671 HE3 LYS 87 HE2 LYS 87 -11.509 -30.329 -11.734 672 HZ1 LYS 87 HZ1 LYS 87 -12.945 -31.889 -10.662 673 HZ2 LYS 87 HZ2 LYS 87 -12.109 -32.720 -11.882 674 HZ3 LYS 87 HZ3 LYS 87 -13.729 -32.266 -12.119 675 H ARG 88 H ARG 88 -11.837 -28.411 -6.850 676 HA ARG 88 HA ARG 88 -11.155 -25.733 -6.220 677 HB2 ARG 88 HB3 ARG 88 -10.544 -28.255 -5.186 678 HB3 ARG 88 HB2 ARG 88 -8.998 -27.643 -5.754 679 HG2 ARG 88 HG3 ARG 88 -9.224 -27.031 -3.470 680 HG3 ARG 88 HG2 ARG 88 -9.430 -25.564 -4.433 681 HD2 ARG 88 HD3 ARG 88 -11.853 -25.792 -4.262 682 HD3 ARG 88 HD2 ARG 88 -11.653 -27.261 -3.314 683 HE ARG 88 HE ARG 88 -10.616 -24.677 -2.348 684 HH11 ARG 88 HH11 ARG 88 -12.496 -27.600 -1.879 685 HH12 ARG 88 HH12 ARG 88 -13.059 -27.133 -0.296 686 HH21 ARG 88 HH21 ARG 88 -11.353 -24.093 -0.239 687 HH22 ARG 88 HH22 ARG 88 -12.424 -25.160 0.618 688 H ALA 89 H ALA 89 -9.925 -24.349 -7.311 689 HA ALA 89 HA ALA 89 -8.857 -25.191 -9.830 690 HB1 ALA 89 HB1 ALA 89 -8.403 -22.841 -10.216 691 HB2 ALA 89 HB2 ALA 89 -8.757 -22.478 -8.527 692 HB3 ALA 89 HB3 ALA 89 -10.037 -23.062 -9.591 693 H VAL 90 H VAL 90 -6.798 -25.370 -10.462 694 HA VAL 90 HA VAL 90 -4.663 -25.140 -8.503 695 HB VAL 90 HB VAL 90 -3.204 -25.980 -10.286 696 HG11 VAL 90 HG11 VAL 90 -4.386 -27.605 -8.915 697 HG12 VAL 90 HG12 VAL 90 -4.194 -28.204 -10.562 698 HG13 VAL 90 HG13 VAL 90 -5.752 -27.569 -10.030 699 HG21 VAL 90 HG21 VAL 90 -4.239 -24.916 -12.201 700 HG22 VAL 90 HG22 VAL 90 -5.676 -25.920 -12.008 701 HG23 VAL 90 HG23 VAL 90 -4.139 -26.658 -12.457 702 H SER 91 H SER 91 -2.567 -24.010 -9.643 703 HA SER 91 HA SER 91 -3.474 -21.353 -10.334 704 HB2 SER 91 HB3 SER 91 -1.525 -21.634 -8.832 705 HB3 SER 91 HB2 SER 91 -0.647 -22.425 -10.143 706 HG SER 91 HG SER 91 -0.832 -19.835 -9.626 707 H ARG 92 H ARG 92 -3.065 -20.335 -12.373 708 HA ARG 92 HA ARG 92 -2.962 -22.064 -14.629 709 HB2 ARG 92 HB3 ARG 92 -2.901 -20.086 -15.994 710 HB3 ARG 92 HB2 ARG 92 -4.025 -19.805 -14.675 711 HG2 ARG 92 HG3 ARG 92 -2.775 -18.155 -13.779 712 HG3 ARG 92 HG2 ARG 92 -1.245 -18.916 -14.231 713 HD2 ARG 92 HD3 ARG 92 -3.137 -17.469 -16.086 714 HD3 ARG 92 HD2 ARG 92 -1.592 -16.859 -15.490 715 HE ARG 92 HE ARG 92 -0.568 -18.801 -16.687 716 HH11 ARG 92 HH11 ARG 92 -3.653 -17.489 -17.705 717 HH12 ARG 92 HH12 ARG 92 -3.491 -18.044 -19.342 718 HH21 ARG 92 HH21 ARG 92 -0.383 -19.578 -18.827 719 HH22 ARG 92 HH22 ARG 92 -1.651 -19.247 -19.977 720 H GLU 93 H GLU 93 -0.651 -20.645 -12.588 721 HA GLU 93 HA GLU 93 1.635 -20.861 -14.292 722 HB2 GLU 93 HB3 GLU 93 1.418 -20.781 -11.273 723 HB3 GLU 93 HB2 GLU 93 2.897 -20.560 -12.195 724 HG2 GLU 93 HG3 GLU 93 2.058 -18.520 -13.151 725 HG3 GLU 93 HG2 GLU 93 0.483 -18.774 -12.401 726 H ASP 94 H ASP 94 -0.080 -22.906 -12.054 727 HA ASP 94 HA ASP 94 1.865 -25.015 -11.996 728 HB2 ASP 94 HB3 ASP 94 -0.931 -24.656 -10.998 729 HB3 ASP 94 HB2 ASP 94 -0.243 -26.275 -11.065 730 H SER 95 H SER 95 -0.840 -24.143 -13.955 731 HA SER 95 HA SER 95 -1.146 -26.707 -15.176 732 HB2 SER 95 HB3 SER 95 -2.168 -23.967 -15.924 733 HB3 SER 95 HB2 SER 95 -2.591 -25.444 -16.791 734 HG SER 95 HG SER 95 -3.793 -26.092 -15.153 735 H GLN 96 H GLN 96 0.597 -27.465 -16.181 736 HA GLN 96 HA GLN 96 1.948 -25.786 -18.162 737 HB2 GLN 96 HB3 GLN 96 3.665 -27.478 -18.243 738 HB3 GLN 96 HB2 GLN 96 3.338 -27.102 -16.560 739 HG2 GLN 96 HG3 GLN 96 2.203 -29.485 -18.008 740 HG3 GLN 96 HG2 GLN 96 3.677 -29.519 -17.045 741 HE21 GLN 96 HE21 GLN 96 3.535 -29.344 -14.805 742 HE22 GLN 96 HE22 GLN 96 2.039 -29.596 -13.958 743 H ARG 97 H ARG 97 -0.680 -27.643 -17.989 744 HA ARG 97 HA ARG 97 -0.439 -28.558 -20.768 745 HB2 ARG 97 HB3 ARG 97 -0.394 -30.443 -19.118 746 HB3 ARG 97 HB2 ARG 97 -1.993 -29.951 -18.577 747 HG2 ARG 97 HG3 ARG 97 -2.068 -31.839 -20.143 748 HG3 ARG 97 HG2 ARG 97 -2.919 -30.420 -20.760 749 HD2 ARG 97 HD3 ARG 97 -1.542 -31.521 -22.482 750 HD3 ARG 97 HD2 ARG 97 -1.041 -29.861 -22.170 751 HE ARG 97 HE ARG 97 0.375 -32.068 -20.844 752 HH11 ARG 97 HH11 ARG 97 0.369 -29.349 -23.064 753 HH12 ARG 97 HH12 ARG 97 2.097 -29.368 -23.286 754 HH21 ARG 97 HH21 ARG 97 2.652 -32.083 -21.139 755 HH22 ARG 97 HH22 ARG 97 3.381 -30.927 -22.215 756 H5' U 1 H5' U 1 -18.595 -28.465 -20.354 757 H5'' U 1 H5'' U 1 -17.615 -29.932 -20.207 758 H4' U 1 H4' U 1 -16.333 -29.421 -22.076 759 H3' U 1 H3' U 1 -16.284 -26.815 -21.489 760 H2' U 1 H2' U 1 -18.568 -26.289 -22.025 761 HO2' U 1 HO2' U 1 -16.871 -25.352 -23.643 762 H1' U 1 H1' U 1 -18.419 -28.049 -24.517 763 H3 U 1 H3 U 1 -22.803 -28.269 -25.249 764 H5 U 1 H5 U 1 -22.602 -26.823 -21.314 765 H6 U 1 H6 U 1 -20.207 -27.056 -21.430 766 HO5' U 1 HO5' U 1 -15.843 -28.129 -20.066 767 H5' U 2 H5' U 2 -15.273 -26.521 -20.250 768 H5'' U 2 H5'' U 2 -13.914 -25.912 -21.213 769 H4' U 2 H4' U 2 -12.942 -25.833 -19.200 770 H3' U 2 H3' U 2 -11.982 -28.016 -20.576 771 H2' U 2 H2' U 2 -13.005 -29.727 -19.289 772 HO2' U 2 HO2' U 2 -10.704 -28.800 -17.974 773 H1' U 2 H1' U 2 -12.867 -27.956 -16.786 774 H3 U 2 H3 U 2 -14.913 -31.264 -14.549 775 H5 U 2 H5 U 2 -17.307 -30.764 -17.962 776 H6 U 2 H6 U 2 -15.663 -29.203 -18.787 777 H5' A 3 H5' A 3 -10.222 -24.139 -19.180 778 H5'' A 3 H5'' A 3 -8.918 -23.902 -20.357 779 H4' A 3 H4' A 3 -8.540 -22.533 -18.421 780 H3' A 3 H3' A 3 -6.522 -23.878 -19.502 781 H2' A 3 H2' A 3 -6.975 -25.920 -18.158 782 HO2' A 3 HO2' A 3 -5.162 -26.026 -16.811 783 H1' A 3 H1' A 3 -7.034 -23.860 -15.858 784 H8 A 3 H8 A 3 -8.079 -27.460 -16.861 785 H61 A 3 H61 A 3 -8.887 -29.050 -12.320 786 H62 A 3 H62 A 3 -8.856 -28.262 -10.758 787 H2 A 3 H2 A 3 -7.777 -23.968 -11.494 788 H5' G 4 H5' G 4 -7.636 -21.392 -18.681 789 H5'' G 4 H5'' G 4 -7.866 -20.590 -20.246 790 H4' G 4 H4' G 4 -7.995 -18.643 -19.262 791 H3' G 4 H3' G 4 -5.227 -18.975 -19.044 792 H2' G 4 H2' G 4 -5.246 -19.451 -16.682 793 HO2' G 4 HO2' G 4 -5.789 -16.869 -16.010 794 H1' G 4 H1' G 4 -7.719 -17.604 -16.589 795 H8 G 4 H8 G 4 -8.550 -17.392 -14.229 796 H1 G 4 H1 G 4 -5.896 -22.952 -12.463 797 H21 G 4 H21 G 4 -4.844 -23.140 -15.766 798 H22 G 4 H22 G 4 -4.872 -23.886 -14.186 799 H5' G 5 H5' G 5 -6.454 -13.825 -19.086 800 H5'' G 5 H5'' G 5 -7.358 -15.262 -18.573 801 H4' G 5 H4' G 5 -8.510 -13.902 -20.873 802 H3' G 5 H3' G 5 -7.645 -12.074 -18.958 803 H2' G 5 H2' G 5 -9.328 -11.960 -17.373 804 HO2' G 5 HO2' G 5 -10.719 -11.626 -19.711 805 H1' G 5 H1' G 5 -11.095 -14.076 -17.976 806 H8 G 5 H8 G 5 -8.402 -16.216 -17.622 807 H1 G 5 H1 G 5 -9.423 -13.265 -12.017 808 H21 G 5 H21 G 5 -11.228 -10.978 -13.895 809 H22 G 5 H22 G 5 -10.650 -11.468 -12.317 810 H5' U 6 H5' U 6 -6.055 -12.113 -19.157 811 H5'' U 6 H5'' U 6 -5.606 -10.684 -20.107 812 H4' U 6 H4' U 6 -3.773 -11.684 -21.032 813 H3' U 6 H3' U 6 -5.164 -13.941 -21.528 814 H2' U 6 H2' U 6 -5.075 -14.983 -19.395 815 HO2' U 6 HO2' U 6 -2.396 -15.596 -19.812 816 H1' U 6 H1' U 6 -2.276 -13.946 -18.809 817 H3 U 6 H3 U 6 -2.541 -14.638 -14.428 818 H5 U 6 H5 U 6 -6.581 -14.434 -15.555 819 H6 U 6 H6 U 6 -5.854 -14.003 -17.804 820 H5' C 7 H5' C 7 -3.582 -15.652 -25.613 821 H5'' C 7 H5'' C 7 -2.647 -14.363 -26.393 822 H4' C 7 H4' C 7 -4.581 -13.655 -27.199 823 H3' C 7 H3' C 7 -4.932 -12.719 -24.355 824 HO3' C 7 HO3' C 7 -5.151 -10.926 -26.276 825 H2' C 7 H2' C 7 -7.178 -12.186 -24.853 826 HO2' C 7 HO2' C 7 -6.397 -12.292 -27.595 827 H1' C 7 H1' C 7 -7.517 -14.246 -26.871 828 H41 C 7 H41 C 7 -10.095 -16.026 -21.034 829 H42 C 7 H42 C 7 -11.307 -16.325 -22.259 830 H5 C 7 H5 C 7 -7.922 -15.090 -21.542 831 H6 C 7 H6 C 7 -6.469 -14.269 -23.312 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -1.795 6.352 -1.796 2 H2 ALA 1 H2 ALA 1 -2.972 6.536 -0.584 3 H3 ALA 1 H3 ALA 1 -2.723 7.772 -1.716 4 HA ALA 1 HA ALA 1 -4.727 6.511 -2.189 5 HB1 ALA 1 HB1 ALA 1 -2.544 6.141 -4.237 6 HB2 ALA 1 HB2 ALA 1 -3.497 7.606 -4.001 7 HB3 ALA 1 HB3 ALA 1 -4.280 6.123 -4.549 8 H SER 2 H SER 2 -1.945 4.480 -3.149 9 HA SER 2 HA SER 2 -3.541 2.092 -2.748 10 HB2 SER 2 HB3 SER 2 -0.627 2.344 -3.548 11 HB3 SER 2 HB2 SER 2 -1.635 0.904 -3.689 12 HG SER 2 HG SER 2 -1.732 1.777 -5.674 13 H LYS 3 H LYS 3 -3.834 1.590 -0.633 14 HA LYS 3 HA LYS 3 -1.561 1.846 1.199 15 HB2 LYS 3 HB3 LYS 3 -4.449 1.174 1.805 16 HB3 LYS 3 HB2 LYS 3 -3.193 1.513 2.988 17 HG2 LYS 3 HG3 LYS 3 -2.990 3.795 2.054 18 HG3 LYS 3 HG2 LYS 3 -4.342 3.437 0.981 19 HD2 LYS 3 HD3 LYS 3 -4.404 3.439 3.997 20 HD3 LYS 3 HD2 LYS 3 -5.104 4.663 2.938 21 HE2 LYS 3 HE3 LYS 3 -5.934 1.768 3.117 22 HE3 LYS 3 HE2 LYS 3 -6.821 3.147 3.764 23 HZ1 LYS 3 HZ1 LYS 3 -7.787 2.499 1.694 24 HZ2 LYS 3 HZ2 LYS 3 -6.295 2.553 0.904 25 HZ3 LYS 3 HZ3 LYS 3 -7.007 3.986 1.459 26 H SER 4 H SER 4 -3.079 -0.456 -0.705 27 HA SER 4 HA SER 4 -1.637 -2.609 0.601 28 HB2 SER 4 HB3 SER 4 -3.770 -2.702 1.755 29 HB3 SER 4 HB2 SER 4 -4.644 -2.626 0.228 30 HG SER 4 HG SER 4 -4.617 -4.721 0.438 31 H GLU 5 H GLU 5 -0.856 -4.040 -0.867 32 HA GLU 5 HA GLU 5 -1.319 -3.690 -3.651 33 HB2 GLU 5 HB3 GLU 5 -0.056 -5.967 -2.109 34 HB3 GLU 5 HB2 GLU 5 -0.091 -5.878 -3.863 35 HG2 GLU 5 HG3 GLU 5 1.234 -3.889 -2.035 36 HG3 GLU 5 HG2 GLU 5 2.051 -5.159 -2.948 37 H SER 6 H SER 6 -1.746 -6.713 -1.932 38 HA SER 6 HA SER 6 -4.571 -6.875 -2.366 39 HB2 SER 6 HB3 SER 6 -2.745 -8.756 -3.900 40 HB3 SER 6 HB2 SER 6 -4.496 -8.912 -3.775 41 HG SER 6 HG SER 6 -3.708 -6.437 -4.621 42 HA PRO 7 HA PRO 7 -3.888 -9.275 1.361 43 HB2 PRO 7 HB3 PRO 7 -6.488 -10.497 0.578 44 HB3 PRO 7 HB2 PRO 7 -6.010 -9.759 2.110 45 HG2 PRO 7 HG3 PRO 7 -7.639 -8.484 0.432 46 HG3 PRO 7 HG2 PRO 7 -6.401 -7.607 1.350 47 HD2 PRO 7 HD3 PRO 7 -6.420 -8.408 -1.529 48 HD3 PRO 7 HD2 PRO 7 -5.794 -6.928 -0.772 49 H LYS 8 H LYS 8 -2.674 -11.072 1.467 50 HA LYS 8 HA LYS 8 -2.412 -12.675 -0.897 51 HB2 LYS 8 HB3 LYS 8 -0.986 -12.713 1.751 52 HB3 LYS 8 HB2 LYS 8 -0.666 -13.893 0.485 53 HG2 LYS 8 HG3 LYS 8 -0.195 -11.933 -1.039 54 HG3 LYS 8 HG2 LYS 8 -0.219 -10.926 0.410 55 HD2 LYS 8 HD3 LYS 8 1.597 -12.178 1.372 56 HD3 LYS 8 HD2 LYS 8 1.561 -13.330 0.034 57 HE2 LYS 8 HE3 LYS 8 2.108 -11.459 -1.509 58 HE3 LYS 8 HE2 LYS 8 2.287 -10.408 -0.103 59 HZ1 LYS 8 HZ1 LYS 8 4.040 -11.879 0.708 60 HZ2 LYS 8 HZ2 LYS 8 4.421 -11.239 -0.814 61 HZ3 LYS 8 HZ3 LYS 8 3.885 -12.846 -0.679 62 H GLU 9 H GLU 9 -4.849 -13.141 -0.319 63 HA GLU 9 HA GLU 9 -5.197 -15.591 1.151 64 HB2 GLU 9 HB3 GLU 9 -6.949 -14.221 -0.909 65 HB3 GLU 9 HB2 GLU 9 -7.434 -15.594 0.078 66 HG2 GLU 9 HG3 GLU 9 -6.535 -13.004 1.290 67 HG3 GLU 9 HG2 GLU 9 -8.207 -13.283 0.802 68 HA PRO 10 HA PRO 10 -3.613 -18.084 -2.150 69 HB2 PRO 10 HB3 PRO 10 -4.720 -20.479 -1.492 70 HB3 PRO 10 HB2 PRO 10 -3.335 -19.790 -0.637 71 HG2 PRO 10 HG3 PRO 10 -6.225 -19.797 0.121 72 HG3 PRO 10 HG2 PRO 10 -4.797 -20.055 1.141 73 HD2 PRO 10 HD3 PRO 10 -6.131 -17.685 1.049 74 HD3 PRO 10 HD2 PRO 10 -4.387 -17.797 1.362 75 H GLU 11 H GLU 11 -4.725 -17.077 -3.826 76 HA GLU 11 HA GLU 11 -7.455 -17.391 -4.395 77 HB2 GLU 11 HB3 GLU 11 -5.871 -15.638 -5.332 78 HB3 GLU 11 HB2 GLU 11 -5.289 -16.878 -6.436 79 HG2 GLU 11 HG3 GLU 11 -7.635 -17.145 -7.243 80 HG3 GLU 11 HG2 GLU 11 -8.068 -15.749 -6.260 81 H GLN 12 H GLN 12 -4.772 -19.456 -4.828 82 HA GLN 12 HA GLN 12 -5.734 -21.088 -6.916 83 HB2 GLN 12 HB3 GLN 12 -3.438 -21.259 -6.337 84 HB3 GLN 12 HB2 GLN 12 -3.808 -21.539 -4.643 85 HG2 GLN 12 HG3 GLN 12 -4.735 -23.728 -5.219 86 HG3 GLN 12 HG2 GLN 12 -4.331 -23.446 -6.910 87 HE21 GLN 12 HE21 GLN 12 -2.965 -25.224 -6.977 88 HE22 GLN 12 HE22 GLN 12 -1.415 -25.235 -6.207 89 H LEU 13 H LEU 13 -5.969 -21.439 -3.373 90 HA LEU 13 HA LEU 13 -7.564 -23.829 -3.804 91 HB2 LEU 13 HB3 LEU 13 -7.270 -24.262 -1.429 92 HB3 LEU 13 HB2 LEU 13 -5.744 -24.002 -2.239 93 HG LEU 13 HG LEU 13 -5.971 -21.574 -1.322 94 HD11 LEU 13 HD11 LEU 13 -7.729 -23.100 0.593 95 HD12 LEU 13 HD12 LEU 13 -8.248 -21.798 -0.478 96 HD13 LEU 13 HD13 LEU 13 -7.113 -21.465 0.831 97 HD21 LEU 13 HD21 LEU 13 -4.228 -23.159 -0.709 98 HD22 LEU 13 HD22 LEU 13 -5.320 -23.929 0.443 99 HD23 LEU 13 HD23 LEU 13 -4.792 -22.268 0.704 100 H ARG 14 H ARG 14 -8.086 -20.538 -3.169 101 HA ARG 14 HA ARG 14 -10.734 -21.030 -2.033 102 HB2 ARG 14 HB3 ARG 14 -9.417 -18.415 -2.802 103 HB3 ARG 14 HB2 ARG 14 -10.970 -18.576 -2.000 104 HG2 ARG 14 HG3 ARG 14 -9.666 -19.775 -0.144 105 HG3 ARG 14 HG2 ARG 14 -8.229 -19.087 -0.909 106 HD2 ARG 14 HD3 ARG 14 -9.373 -16.845 -0.774 107 HD3 ARG 14 HD2 ARG 14 -10.599 -17.615 0.228 108 HE ARG 14 HE ARG 14 -7.955 -16.826 1.012 109 HH11 ARG 14 HH11 ARG 14 -10.523 -19.087 1.695 110 HH12 ARG 14 HH12 ARG 14 -10.143 -19.217 3.385 111 HH21 ARG 14 HH21 ARG 14 -7.468 -16.941 3.233 112 HH22 ARG 14 HH22 ARG 14 -8.407 -17.984 4.264 113 H LYS 15 H LYS 15 -9.317 -20.926 -5.074 114 HA LYS 15 HA LYS 15 -11.607 -19.725 -6.395 115 HB2 LYS 15 HB3 LYS 15 -9.248 -19.373 -7.199 116 HB3 LYS 15 HB2 LYS 15 -9.235 -21.062 -7.686 117 HG2 LYS 15 HG3 LYS 15 -11.182 -20.594 -9.155 118 HG3 LYS 15 HG2 LYS 15 -11.021 -18.885 -8.745 119 HD2 LYS 15 HD3 LYS 15 -8.941 -20.605 -10.094 120 HD3 LYS 15 HD2 LYS 15 -9.932 -19.367 -10.865 121 HE2 LYS 15 HE3 LYS 15 -7.957 -18.880 -8.644 122 HE3 LYS 15 HE2 LYS 15 -7.648 -18.595 -10.355 123 HZ1 LYS 15 HZ1 LYS 15 -9.480 -16.981 -10.341 124 HZ2 LYS 15 HZ2 LYS 15 -8.243 -16.551 -9.276 125 HZ3 LYS 15 HZ3 LYS 15 -9.680 -17.221 -8.676 126 H LEU 16 H LEU 16 -13.162 -20.760 -7.389 127 HA LEU 16 HA LEU 16 -13.170 -23.681 -7.301 128 HB2 LEU 16 HB3 LEU 16 -15.020 -21.971 -6.433 129 HB3 LEU 16 HB2 LEU 16 -15.527 -22.060 -8.107 130 HG LEU 16 HG LEU 16 -15.969 -24.392 -7.955 131 HD11 LEU 16 HD11 LEU 16 -14.663 -24.216 -5.251 132 HD12 LEU 16 HD12 LEU 16 -14.103 -25.130 -6.649 133 HD13 LEU 16 HD13 LEU 16 -15.583 -25.609 -5.813 134 HD21 LEU 16 HD21 LEU 16 -16.954 -22.972 -5.485 135 HD22 LEU 16 HD22 LEU 16 -17.648 -24.442 -6.167 136 HD23 LEU 16 HD23 LEU 16 -17.702 -22.936 -7.080 137 H PHE 17 H PHE 17 -12.787 -24.751 -9.082 138 HA PHE 17 HA PHE 17 -12.747 -23.423 -11.664 139 HB2 PHE 17 HB3 PHE 17 -10.901 -24.903 -11.221 140 HB3 PHE 17 HB2 PHE 17 -11.985 -26.208 -10.757 141 HD1 PHE 17 HD1 PHE 17 -11.667 -27.928 -12.242 142 HD2 PHE 17 HD2 PHE 17 -11.985 -23.956 -13.732 143 HE1 PHE 17 HE1 PHE 17 -11.614 -28.790 -14.543 144 HE2 PHE 17 HE2 PHE 17 -11.933 -24.812 -16.037 145 HZ PHE 17 HZ PHE 17 -11.746 -27.233 -16.446 146 H ILE 18 H ILE 18 -14.564 -23.258 -12.773 147 HA ILE 18 HA ILE 18 -16.696 -25.224 -12.288 148 HB ILE 18 HB ILE 18 -17.027 -22.587 -13.702 149 HG12 ILE 18 HG12 ILE 18 -16.125 -22.009 -11.545 150 HG13 ILE 18 HG13 ILE 18 -17.856 -21.693 -11.517 151 HG21 ILE 18 HG21 ILE 18 -18.806 -24.218 -13.995 152 HG22 ILE 18 HG22 ILE 18 -19.366 -22.854 -13.026 153 HG23 ILE 18 HG23 ILE 18 -18.962 -24.383 -12.247 154 HD11 ILE 18 HD11 ILE 18 -18.201 -23.806 -10.322 155 HD12 ILE 18 HD12 ILE 18 -17.144 -22.696 -9.447 156 HD13 ILE 18 HD13 ILE 18 -16.456 -24.069 -10.316 157 H GLY 19 H GLY 19 -16.411 -26.836 -13.729 158 HA2 GLY 19 HA3 GLY 19 -15.892 -26.032 -16.529 159 HA3 GLY 19 HA2 GLY 19 -15.377 -27.561 -15.839 160 H GLY 20 H GLY 20 -17.138 -26.757 -18.155 161 HA2 GLY 20 HA3 GLY 20 -18.667 -28.185 -19.214 162 HA3 GLY 20 HA2 GLY 20 -19.084 -28.868 -17.650 163 H LEU 21 H LEU 21 -19.009 -25.432 -18.392 164 HA LEU 21 HA LEU 21 -21.866 -25.354 -17.773 165 HB2 LEU 21 HB3 LEU 21 -21.435 -22.839 -17.596 166 HB3 LEU 21 HB2 LEU 21 -20.804 -23.883 -16.340 167 HG LEU 21 HG LEU 21 -18.589 -23.792 -17.667 168 HD11 LEU 21 HD11 LEU 21 -18.238 -21.803 -18.982 169 HD12 LEU 21 HD12 LEU 21 -19.907 -21.305 -18.730 170 HD13 LEU 21 HD13 LEU 21 -19.556 -22.746 -19.680 171 HD21 LEU 21 HD21 LEU 21 -18.907 -22.794 -15.481 172 HD22 LEU 21 HD22 LEU 21 -19.666 -21.382 -16.214 173 HD23 LEU 21 HD23 LEU 21 -17.961 -21.721 -16.514 174 H SER 22 H SER 22 -22.949 -23.346 -18.913 175 HA SER 22 HA SER 22 -23.149 -24.216 -21.628 176 HB2 SER 22 HB3 SER 22 -25.122 -23.607 -20.262 177 HB3 SER 22 HB2 SER 22 -24.554 -21.940 -20.209 178 HG SER 22 HG SER 22 -26.149 -22.861 -21.953 179 H PHE 23 H PHE 23 -23.326 -22.587 -23.414 180 HA PHE 23 HA PHE 23 -20.965 -20.905 -23.419 181 HB2 PHE 23 HB3 PHE 23 -22.969 -21.465 -25.616 182 HB3 PHE 23 HB2 PHE 23 -21.443 -20.606 -25.812 183 HD1 PHE 23 HD1 PHE 23 -23.059 -23.795 -25.754 184 HD2 PHE 23 HD2 PHE 23 -19.297 -21.853 -25.327 185 HE1 PHE 23 HE1 PHE 23 -21.914 -25.936 -26.148 186 HE2 PHE 23 HE2 PHE 23 -18.145 -23.990 -25.724 187 HZ PHE 23 HZ PHE 23 -19.453 -26.035 -26.134 188 H GLU 24 H GLU 24 -24.033 -20.610 -22.420 189 HA GLU 24 HA GLU 24 -24.341 -17.794 -23.124 190 HB2 GLU 24 HB3 GLU 24 -26.150 -19.460 -21.373 191 HB3 GLU 24 HB2 GLU 24 -26.544 -17.974 -22.226 192 HG2 GLU 24 HG3 GLU 24 -26.322 -19.138 -24.361 193 HG3 GLU 24 HG2 GLU 24 -25.925 -20.624 -23.506 194 H THR 25 H THR 25 -22.867 -19.686 -20.842 195 HA THR 25 HA THR 25 -23.401 -18.155 -18.490 196 HB THR 25 HB THR 25 -21.235 -20.211 -19.009 197 HG1 THR 25 HG1 THR 25 -23.879 -20.417 -17.925 198 HG21 THR 25 HG21 THR 25 -22.395 -19.147 -16.422 199 HG22 THR 25 HG22 THR 25 -20.781 -18.803 -17.047 200 HG23 THR 25 HG23 THR 25 -21.208 -20.445 -16.563 201 H THR 26 H THR 26 -22.747 -16.109 -18.510 202 HA THR 26 HA THR 26 -19.992 -15.520 -19.313 203 HB THR 26 HB THR 26 -21.584 -14.217 -20.570 204 HG1 THR 26 HG1 THR 26 -20.928 -12.059 -19.828 205 HG21 THR 26 HG21 THR 26 -23.483 -14.339 -19.049 206 HG22 THR 26 HG22 THR 26 -23.143 -12.663 -19.485 207 HG23 THR 26 HG23 THR 26 -22.653 -13.281 -17.906 208 H ASP 27 H ASP 27 -19.076 -13.590 -18.022 209 HA ASP 27 HA ASP 27 -18.422 -14.535 -15.509 210 HB2 ASP 27 HB3 ASP 27 -16.923 -13.028 -16.498 211 HB3 ASP 27 HB2 ASP 27 -18.178 -11.833 -16.801 212 H GLU 28 H GLU 28 -20.700 -11.943 -16.315 213 HA GLU 28 HA GLU 28 -21.394 -11.304 -13.673 214 HB2 GLU 28 HB3 GLU 28 -23.363 -10.194 -14.686 215 HB3 GLU 28 HB2 GLU 28 -21.853 -9.787 -15.486 216 HG2 GLU 28 HG3 GLU 28 -22.372 -11.438 -17.241 217 HG3 GLU 28 HG2 GLU 28 -23.926 -11.731 -16.462 218 H SER 29 H SER 29 -22.696 -13.699 -15.910 219 HA SER 29 HA SER 29 -24.931 -14.284 -14.194 220 HB2 SER 29 HB3 SER 29 -23.857 -15.776 -16.599 221 HB3 SER 29 HB2 SER 29 -25.411 -16.071 -15.814 222 HG SER 29 HG SER 29 -25.656 -13.644 -16.237 223 H LEU 30 H LEU 30 -21.710 -15.497 -14.740 224 HA LEU 30 HA LEU 30 -22.016 -17.965 -13.370 225 HB2 LEU 30 HB3 LEU 30 -20.104 -17.508 -14.858 226 HB3 LEU 30 HB2 LEU 30 -19.524 -16.292 -13.733 227 HG LEU 30 HG LEU 30 -19.441 -18.195 -12.005 228 HD11 LEU 30 HD11 LEU 30 -19.525 -19.825 -14.535 229 HD12 LEU 30 HD12 LEU 30 -20.743 -19.811 -13.259 230 HD13 LEU 30 HD13 LEU 30 -19.125 -20.427 -12.925 231 HD21 LEU 30 HD21 LEU 30 -17.517 -18.296 -14.322 232 HD22 LEU 30 HD22 LEU 30 -17.219 -18.837 -12.666 233 HD23 LEU 30 HD23 LEU 30 -17.464 -17.125 -13.004 234 H ARG 31 H ARG 31 -20.830 -14.774 -12.381 235 HA ARG 31 HA ARG 31 -20.285 -15.539 -9.728 236 HB2 ARG 31 HB3 ARG 31 -19.657 -13.380 -9.357 237 HB3 ARG 31 HB2 ARG 31 -19.617 -13.370 -11.113 238 HG2 ARG 31 HG3 ARG 31 -21.858 -12.373 -11.145 239 HG3 ARG 31 HG2 ARG 31 -21.864 -12.378 -9.376 240 HD2 ARG 31 HD3 ARG 31 -19.771 -10.967 -11.018 241 HD3 ARG 31 HD2 ARG 31 -21.254 -10.187 -10.466 242 HE ARG 31 HE ARG 31 -20.342 -11.083 -8.161 243 HH11 ARG 31 HH11 ARG 31 -18.574 -9.582 -10.793 244 HH12 ARG 31 HH12 ARG 31 -17.387 -8.854 -9.749 245 HH21 ARG 31 HH21 ARG 31 -18.786 -10.119 -6.787 246 HH22 ARG 31 HH22 ARG 31 -17.512 -9.150 -7.470 247 H SER 32 H SER 32 -23.188 -14.225 -11.274 248 HA SER 32 HA SER 32 -24.565 -13.625 -8.901 249 HB2 SER 32 HB3 SER 32 -25.224 -12.833 -11.179 250 HB3 SER 32 HB2 SER 32 -25.783 -14.465 -11.544 251 HG SER 32 HG SER 32 -27.393 -14.267 -10.058 252 H HIS 33 H HIS 33 -24.365 -16.611 -10.791 253 HA HIS 33 HA HIS 33 -26.259 -17.994 -9.159 254 HB2 HIS 33 HB3 HIS 33 -24.291 -18.901 -11.253 255 HB3 HIS 33 HB2 HIS 33 -25.223 -20.058 -10.310 256 HD2 HIS 33 HD2 HIS 33 -25.629 -17.654 -13.286 257 HE1 HIS 33 HE1 HIS 33 -29.356 -19.517 -12.560 258 HE2 HIS 33 HE2 HIS 33 -27.943 -18.291 -14.268 259 H PHE 34 H PHE 34 -22.735 -17.710 -9.168 260 HA PHE 34 HA PHE 34 -22.540 -19.752 -7.128 261 HB2 PHE 34 HB3 PHE 34 -20.537 -18.214 -8.719 262 HB3 PHE 34 HB2 PHE 34 -20.033 -19.034 -7.240 263 HD1 PHE 34 HD1 PHE 34 -20.056 -21.437 -7.077 264 HD2 PHE 34 HD2 PHE 34 -21.262 -19.483 -10.657 265 HE1 PHE 34 HE1 PHE 34 -19.915 -23.574 -8.283 266 HE2 PHE 34 HE2 PHE 34 -21.124 -21.618 -11.873 267 HZ PHE 34 HZ PHE 34 -20.450 -23.672 -10.685 268 H GLU 35 H GLU 35 -22.752 -16.298 -7.191 269 HA GLU 35 HA GLU 35 -21.676 -15.980 -4.549 270 HB2 GLU 35 HB3 GLU 35 -23.237 -14.098 -6.300 271 HB3 GLU 35 HB2 GLU 35 -22.733 -13.682 -4.666 272 HG2 GLU 35 HG3 GLU 35 -20.375 -14.315 -5.459 273 HG3 GLU 35 HG2 GLU 35 -21.046 -14.191 -7.081 274 H GLN 36 H GLN 36 -24.145 -17.675 -5.403 275 HA GLN 36 HA GLN 36 -26.166 -16.729 -3.574 276 HB2 GLN 36 HB3 GLN 36 -25.890 -19.059 -5.427 277 HB3 GLN 36 HB2 GLN 36 -27.105 -19.099 -4.160 278 HG2 GLN 36 HG3 GLN 36 -28.193 -17.165 -5.040 279 HG3 GLN 36 HG2 GLN 36 -26.877 -16.876 -6.175 280 HE21 GLN 36 HE21 GLN 36 -26.554 -19.595 -6.981 281 HE22 GLN 36 HE22 GLN 36 -27.930 -20.016 -7.949 282 H TRP 37 H TRP 37 -23.479 -18.928 -3.504 283 HA TRP 37 HA TRP 37 -24.325 -19.846 -0.836 284 HB2 TRP 37 HB3 TRP 37 -22.473 -21.199 -2.817 285 HB3 TRP 37 HB2 TRP 37 -22.753 -21.759 -1.176 286 HD1 TRP 37 HD1 TRP 37 -24.983 -23.064 -0.681 287 HE1 TRP 37 HE1 TRP 37 -26.828 -24.045 -2.174 288 HE3 TRP 37 HE3 TRP 37 -23.769 -20.760 -5.078 289 HZ2 TRP 37 HZ2 TRP 37 -27.656 -23.873 -4.858 290 HZ3 TRP 37 HZ3 TRP 37 -25.141 -21.233 -7.063 291 HH2 TRP 37 HH2 TRP 37 -27.042 -22.756 -6.955 292 H GLY 38 H GLY 38 -22.668 -17.459 -1.981 293 HA2 GLY 38 HA3 GLY 38 -21.139 -16.910 0.230 294 HA3 GLY 38 HA2 GLY 38 -20.069 -17.835 -0.810 295 H THR 39 H THR 39 -18.874 -15.737 -0.568 296 HA THR 39 HA THR 39 -19.829 -13.696 -2.469 297 HB THR 39 HB THR 39 -17.839 -13.537 -0.197 298 HG1 THR 39 HG1 THR 39 -20.522 -12.994 -0.469 299 HG21 THR 39 HG21 THR 39 -17.770 -11.095 -0.714 300 HG22 THR 39 HG22 THR 39 -18.614 -11.442 -2.225 301 HG23 THR 39 HG23 THR 39 -17.008 -12.118 -1.932 302 H LEU 40 H LEU 40 -18.812 -13.621 -4.424 303 HA LEU 40 HA LEU 40 -16.280 -15.045 -4.706 304 HB2 LEU 40 HB3 LEU 40 -17.953 -13.742 -6.852 305 HB3 LEU 40 HB2 LEU 40 -16.612 -14.845 -7.099 306 HG LEU 40 HG LEU 40 -19.155 -15.607 -5.703 307 HD11 LEU 40 HD11 LEU 40 -19.646 -16.852 -7.786 308 HD12 LEU 40 HD12 LEU 40 -18.329 -15.966 -8.552 309 HD13 LEU 40 HD13 LEU 40 -19.733 -15.099 -7.941 310 HD21 LEU 40 HD21 LEU 40 -17.402 -17.007 -4.998 311 HD22 LEU 40 HD22 LEU 40 -16.766 -17.142 -6.633 312 HD23 LEU 40 HD23 LEU 40 -18.305 -17.904 -6.221 313 H THR 41 H THR 41 -14.558 -13.942 -4.210 314 HA THR 41 HA THR 41 -14.429 -11.070 -4.404 315 HB THR 41 HB THR 41 -12.107 -11.394 -3.523 316 HG1 THR 41 HG1 THR 41 -12.757 -14.129 -3.161 317 HG21 THR 41 HG21 THR 41 -12.795 -12.203 -1.318 318 HG22 THR 41 HG22 THR 41 -14.274 -12.863 -2.016 319 HG23 THR 41 HG23 THR 41 -14.008 -11.118 -1.998 320 H ASP 42 H ASP 42 -13.731 -13.729 -6.376 321 HA ASP 42 HA ASP 42 -12.667 -12.001 -8.449 322 HB2 ASP 42 HB3 ASP 42 -10.648 -12.757 -7.372 323 HB3 ASP 42 HB2 ASP 42 -11.197 -14.418 -7.391 324 H CYS 43 H CYS 43 -14.266 -12.399 -9.908 325 HA CYS 43 HA CYS 43 -14.693 -15.231 -10.576 326 HB2 CYS 43 HB3 CYS 43 -16.960 -14.667 -11.300 327 HB3 CYS 43 HB2 CYS 43 -16.720 -14.227 -9.614 328 HG CYS 43 HG CYS 43 -17.104 -12.214 -12.316 329 H VAL 44 H VAL 44 -14.707 -15.808 -12.726 330 HA VAL 44 HA VAL 44 -14.507 -13.869 -14.825 331 HB VAL 44 HB VAL 44 -12.229 -13.731 -13.868 332 HG11 VAL 44 HG11 VAL 44 -10.690 -15.627 -14.103 333 HG12 VAL 44 HG12 VAL 44 -12.034 -16.642 -14.627 334 HG13 VAL 44 HG13 VAL 44 -12.013 -15.979 -12.993 335 HG21 VAL 44 HG21 VAL 44 -12.306 -15.012 -16.596 336 HG22 VAL 44 HG22 VAL 44 -11.010 -14.006 -15.948 337 HG23 VAL 44 HG23 VAL 44 -12.601 -13.308 -16.250 338 H VAL 45 H VAL 45 -14.756 -14.818 -16.859 339 HA VAL 45 HA VAL 45 -15.008 -17.750 -16.870 340 HB VAL 45 HB VAL 45 -16.841 -17.579 -18.473 341 HG11 VAL 45 HG11 VAL 45 -18.565 -16.727 -16.941 342 HG12 VAL 45 HG12 VAL 45 -17.295 -16.013 -15.944 343 HG13 VAL 45 HG13 VAL 45 -17.390 -17.764 -16.130 344 HG21 VAL 45 HG21 VAL 45 -16.660 -14.601 -18.018 345 HG22 VAL 45 HG22 VAL 45 -17.928 -15.427 -18.923 346 HG23 VAL 45 HG23 VAL 45 -16.266 -15.452 -19.512 347 H MET 46 H MET 46 -14.662 -18.758 -18.922 348 HA MET 46 HA MET 46 -12.795 -17.223 -20.583 349 HB2 MET 46 HB3 MET 46 -13.135 -20.222 -20.546 350 HB3 MET 46 HB2 MET 46 -11.830 -19.291 -21.269 351 HG2 MET 46 HG3 MET 46 -12.399 -19.623 -18.340 352 HG3 MET 46 HG2 MET 46 -11.054 -20.305 -19.251 353 HE1 MET 46 HE1 MET 46 -9.556 -17.610 -16.795 354 HE2 MET 46 HE2 MET 46 -9.692 -19.335 -17.166 355 HE3 MET 46 HE3 MET 46 -11.078 -18.457 -16.514 356 H ARG 47 H ARG 47 -13.252 -16.857 -22.658 357 HA ARG 47 HA ARG 47 -15.758 -18.021 -23.676 358 HB2 ARG 47 HB3 ARG 47 -14.751 -15.222 -24.238 359 HB3 ARG 47 HB2 ARG 47 -16.319 -15.901 -24.686 360 HG2 ARG 47 HG3 ARG 47 -17.029 -15.966 -22.418 361 HG3 ARG 47 HG2 ARG 47 -15.409 -15.603 -21.830 362 HD2 ARG 47 HD3 ARG 47 -16.592 -13.599 -21.617 363 HD3 ARG 47 HD2 ARG 47 -15.623 -13.398 -23.074 364 HE ARG 47 HE ARG 47 -18.006 -14.330 -24.003 365 HH11 ARG 47 HH11 ARG 47 -17.067 -11.647 -21.963 366 HH12 ARG 47 HH12 ARG 47 -18.386 -10.636 -22.455 367 HH21 ARG 47 HH21 ARG 47 -19.768 -13.016 -24.651 368 HH22 ARG 47 HH22 ARG 47 -19.937 -11.419 -23.976 369 H ASP 48 H ASP 48 -15.867 -18.511 -25.829 370 HA ASP 48 HA ASP 48 -13.680 -19.696 -26.995 371 HB2 ASP 48 HB3 ASP 48 -16.178 -19.907 -27.586 372 HB3 ASP 48 HB2 ASP 48 -15.911 -18.504 -28.613 373 HA PRO 49 HA PRO 49 -11.284 -16.308 -28.564 374 HB2 PRO 49 HB3 PRO 49 -9.870 -17.680 -30.460 375 HB3 PRO 49 HB2 PRO 49 -9.494 -17.719 -28.735 376 HG2 PRO 49 HG3 PRO 49 -10.999 -19.698 -30.395 377 HG3 PRO 49 HG2 PRO 49 -9.804 -19.985 -29.117 378 HD2 PRO 49 HD3 PRO 49 -12.459 -20.224 -28.690 379 HD3 PRO 49 HD2 PRO 49 -11.344 -19.655 -27.430 380 H ASN 50 H ASN 50 -13.449 -18.213 -30.460 381 HA ASN 50 HA ASN 50 -13.145 -16.417 -32.776 382 HB2 ASN 50 HB3 ASN 50 -14.841 -18.909 -32.718 383 HB3 ASN 50 HB2 ASN 50 -14.158 -18.082 -34.112 384 HD21 ASN 50 HD21 ASN 50 -13.535 -20.179 -31.420 385 HD22 ASN 50 HD22 ASN 50 -12.025 -20.820 -32.017 386 H THR 51 H THR 51 -15.656 -18.008 -30.833 387 HA THR 51 HA THR 51 -17.697 -16.303 -31.948 388 HB THR 51 HB THR 51 -19.273 -17.626 -30.763 389 HG1 THR 51 HG1 THR 51 -18.391 -19.204 -29.155 390 HG21 THR 51 HG21 THR 51 -18.169 -18.800 -32.613 391 HG22 THR 51 HG22 THR 51 -18.637 -19.919 -31.334 392 HG23 THR 51 HG23 THR 51 -16.953 -19.419 -31.495 393 H LYS 52 H LYS 52 -15.808 -16.507 -29.054 394 HA LYS 52 HA LYS 52 -15.544 -15.197 -27.242 395 HB2 LYS 52 HB3 LYS 52 -17.174 -13.201 -28.820 396 HB3 LYS 52 HB2 LYS 52 -16.326 -12.844 -27.322 397 HG2 LYS 52 HG3 LYS 52 -15.075 -13.692 -29.928 398 HG3 LYS 52 HG2 LYS 52 -15.043 -12.077 -29.219 399 HD2 LYS 52 HD3 LYS 52 -13.829 -14.553 -27.991 400 HD3 LYS 52 HD2 LYS 52 -12.938 -13.306 -28.863 401 HE2 LYS 52 HE3 LYS 52 -14.517 -12.896 -26.326 402 HE3 LYS 52 HE2 LYS 52 -12.764 -13.033 -26.431 403 HZ1 LYS 52 HZ1 LYS 52 -13.328 -10.741 -26.312 404 HZ2 LYS 52 HZ2 LYS 52 -14.467 -10.879 -27.559 405 HZ3 LYS 52 HZ3 LYS 52 -12.813 -11.047 -27.900 406 H ARG 53 H ARG 53 -17.877 -17.009 -27.547 407 HA ARG 53 HA ARG 53 -19.831 -15.736 -25.789 408 HB2 ARG 53 HB3 ARG 53 -19.821 -18.285 -27.360 409 HB3 ARG 53 HB2 ARG 53 -20.890 -18.137 -25.974 410 HG2 ARG 53 HG3 ARG 53 -22.191 -17.524 -27.813 411 HG3 ARG 53 HG2 ARG 53 -21.738 -15.998 -27.056 412 HD2 ARG 53 HD3 ARG 53 -19.837 -15.883 -28.696 413 HD3 ARG 53 HD2 ARG 53 -20.572 -17.255 -29.525 414 HE ARG 53 HE ARG 53 -22.068 -14.752 -29.108 415 HH11 ARG 53 HH11 ARG 53 -20.958 -17.339 -31.188 416 HH12 ARG 53 HH12 ARG 53 -21.597 -16.623 -32.634 417 HH21 ARG 53 HH21 ARG 53 -22.922 -13.809 -31.006 418 HH22 ARG 53 HH22 ARG 53 -22.701 -14.605 -32.540 419 H SER 54 H SER 54 -18.536 -19.043 -25.726 420 HA SER 54 HA SER 54 -17.342 -18.612 -23.134 421 HB2 SER 54 HB3 SER 54 -19.659 -19.001 -22.479 422 HB3 SER 54 HB2 SER 54 -19.714 -20.466 -23.457 423 HG SER 54 HG SER 54 -19.322 -20.728 -21.128 424 H ARG 55 H ARG 55 -16.035 -20.356 -22.462 425 HA ARG 55 HA ARG 55 -15.279 -22.176 -24.636 426 HB2 ARG 55 HB3 ARG 55 -13.844 -21.158 -22.198 427 HB3 ARG 55 HB2 ARG 55 -13.259 -22.547 -23.088 428 HG2 ARG 55 HG3 ARG 55 -13.161 -21.141 -25.128 429 HG3 ARG 55 HG2 ARG 55 -13.645 -19.758 -24.148 430 HD2 ARG 55 HD3 ARG 55 -11.326 -19.575 -24.285 431 HD3 ARG 55 HD2 ARG 55 -11.603 -20.307 -22.709 432 HE ARG 55 HE ARG 55 -11.219 -22.331 -24.630 433 HH11 ARG 55 HH11 ARG 55 -9.426 -19.854 -22.917 434 HH12 ARG 55 HH12 ARG 55 -7.908 -20.686 -23.035 435 HH21 ARG 55 HH21 ARG 55 -9.243 -23.427 -24.793 436 HH22 ARG 55 HH22 ARG 55 -7.802 -22.741 -24.089 437 H GLY 56 H GLY 56 -17.291 -22.167 -22.102 438 HA2 GLY 56 HA3 GLY 56 -18.514 -24.022 -21.376 439 HA3 GLY 56 HA2 GLY 56 -17.229 -25.075 -21.952 440 H PHE 57 H PHE 57 -15.990 -22.518 -20.124 441 HA PHE 57 HA PHE 57 -16.494 -23.651 -17.542 442 HB2 PHE 57 HB3 PHE 57 -14.062 -24.077 -17.014 443 HB3 PHE 57 HB2 PHE 57 -14.829 -25.246 -18.076 444 HD1 PHE 57 HD1 PHE 57 -12.590 -22.282 -18.072 445 HD2 PHE 57 HD2 PHE 57 -13.933 -25.752 -20.118 446 HE1 PHE 57 HE1 PHE 57 -10.787 -21.991 -19.726 447 HE2 PHE 57 HE2 PHE 57 -12.148 -25.461 -21.796 448 HZ PHE 57 HZ PHE 57 -10.570 -23.580 -21.598 449 H GLY 58 H GLY 58 -15.460 -22.503 -15.794 450 HA2 GLY 58 HA3 GLY 58 -14.228 -19.942 -16.363 451 HA3 GLY 58 HA2 GLY 58 -15.865 -19.843 -15.724 452 H PHE 59 H PHE 59 -14.317 -18.646 -14.084 453 HA PHE 59 HA PHE 59 -13.738 -20.583 -11.955 454 HB2 PHE 59 HB3 PHE 59 -11.890 -18.380 -12.872 455 HB3 PHE 59 HB2 PHE 59 -11.692 -19.268 -11.369 456 HD1 PHE 59 HD1 PHE 59 -10.986 -21.577 -11.368 457 HD2 PHE 59 HD2 PHE 59 -11.419 -19.415 -15.002 458 HE1 PHE 59 HE1 PHE 59 -9.701 -23.308 -12.547 459 HE2 PHE 59 HE2 PHE 59 -10.138 -21.146 -16.191 460 HZ PHE 59 HZ PHE 59 -9.277 -23.094 -14.962 461 H VAL 60 H VAL 60 -13.895 -19.809 -9.878 462 HA VAL 60 HA VAL 60 -14.858 -17.105 -9.403 463 HB VAL 60 HB VAL 60 -16.776 -18.245 -8.011 464 HG11 VAL 60 HG11 VAL 60 -17.047 -16.534 -9.691 465 HG12 VAL 60 HG12 VAL 60 -18.296 -17.776 -9.838 466 HG13 VAL 60 HG13 VAL 60 -16.936 -17.755 -10.962 467 HG21 VAL 60 HG21 VAL 60 -17.809 -20.093 -9.258 468 HG22 VAL 60 HG22 VAL 60 -16.256 -20.529 -8.550 469 HG23 VAL 60 HG23 VAL 60 -16.369 -20.177 -10.274 470 H THR 61 H THR 61 -13.585 -16.460 -7.861 471 HA THR 61 HA THR 61 -12.600 -18.365 -5.869 472 HB THR 61 HB THR 61 -11.765 -15.483 -6.124 473 HG1 THR 61 HG1 THR 61 -11.108 -16.022 -8.084 474 HG21 THR 61 HG21 THR 61 -10.333 -17.964 -5.175 475 HG22 THR 61 HG22 THR 61 -10.996 -16.689 -4.152 476 HG23 THR 61 HG23 THR 61 -9.643 -16.341 -5.230 477 H TYR 62 H TYR 62 -13.720 -18.507 -4.029 478 HA TYR 62 HA TYR 62 -15.623 -16.478 -3.291 479 HB2 TYR 62 HB3 TYR 62 -14.797 -19.110 -2.088 480 HB3 TYR 62 HB2 TYR 62 -15.889 -18.019 -1.242 481 HD1 TYR 62 HD1 TYR 62 -18.161 -17.848 -1.853 482 HD2 TYR 62 HD2 TYR 62 -15.500 -20.072 -4.314 483 HE1 TYR 62 HE1 TYR 62 -20.078 -18.771 -3.079 484 HE2 TYR 62 HE2 TYR 62 -17.412 -21.006 -5.544 485 HH TYR 62 HH TYR 62 -20.600 -19.769 -5.169 486 H ALA 63 H ALA 63 -15.676 -15.966 -0.789 487 HA ALA 63 HA ALA 63 -13.323 -14.381 -0.307 488 HB1 ALA 63 HB1 ALA 63 -15.594 -13.572 0.249 489 HB2 ALA 63 HB2 ALA 63 -14.508 -13.558 1.642 490 HB3 ALA 63 HB3 ALA 63 -15.714 -14.837 1.480 491 H THR 64 H THR 64 -14.811 -17.269 0.986 492 HA THR 64 HA THR 64 -12.228 -18.043 2.089 493 HB THR 64 HB THR 64 -13.279 -17.150 4.045 494 HG1 THR 64 HG1 THR 64 -13.101 -18.919 5.306 495 HG21 THR 64 HG21 THR 64 -15.483 -17.816 4.819 496 HG22 THR 64 HG22 THR 64 -15.679 -18.871 3.420 497 HG23 THR 64 HG23 THR 64 -15.593 -17.121 3.200 498 H VAL 65 H VAL 65 -12.183 -20.398 2.582 499 HA VAL 65 HA VAL 65 -13.214 -21.805 0.330 500 HB VAL 65 HB VAL 65 -12.184 -23.817 1.399 501 HG11 VAL 65 HG11 VAL 65 -10.930 -22.407 -0.138 502 HG12 VAL 65 HG12 VAL 65 -9.879 -23.027 1.135 503 HG13 VAL 65 HG13 VAL 65 -10.449 -21.359 1.196 504 HG21 VAL 65 HG21 VAL 65 -10.783 -23.492 3.382 505 HG22 VAL 65 HG22 VAL 65 -12.482 -23.183 3.739 506 HG23 VAL 65 HG23 VAL 65 -11.366 -21.833 3.524 507 H GLU 66 H GLU 66 -14.391 -21.200 3.467 508 HA GLU 66 HA GLU 66 -16.034 -23.446 3.863 509 HB2 GLU 66 HB3 GLU 66 -16.618 -20.625 4.764 510 HB3 GLU 66 HB2 GLU 66 -17.176 -22.119 5.505 511 HG2 GLU 66 HG3 GLU 66 -14.322 -21.169 5.388 512 HG3 GLU 66 HG2 GLU 66 -15.384 -21.094 6.792 513 H GLU 67 H GLU 67 -16.411 -20.527 1.997 514 HA GLU 67 HA GLU 67 -19.170 -20.970 1.358 515 HB2 GLU 67 HB3 GLU 67 -17.252 -19.279 -0.223 516 HB3 GLU 67 HB2 GLU 67 -18.991 -19.087 -0.056 517 HG2 GLU 67 HG3 GLU 67 -18.625 -18.546 2.348 518 HG3 GLU 67 HG2 GLU 67 -16.893 -18.563 2.025 519 H VAL 68 H VAL 68 -16.049 -21.556 -0.147 520 HA VAL 68 HA VAL 68 -16.828 -22.582 -2.604 521 HB VAL 68 HB VAL 68 -14.485 -23.229 -0.815 522 HG11 VAL 68 HG11 VAL 68 -15.145 -24.439 -3.492 523 HG12 VAL 68 HG12 VAL 68 -14.834 -25.279 -1.975 524 HG13 VAL 68 HG13 VAL 68 -13.523 -24.435 -2.800 525 HG21 VAL 68 HG21 VAL 68 -14.512 -21.058 -1.926 526 HG22 VAL 68 HG22 VAL 68 -14.717 -21.855 -3.487 527 HG23 VAL 68 HG23 VAL 68 -13.229 -22.085 -2.567 528 H ASP 69 H ASP 69 -16.393 -24.283 0.481 529 HA ASP 69 HA ASP 69 -17.130 -26.832 -0.399 530 HB2 ASP 69 HB3 ASP 69 -17.279 -25.528 2.309 531 HB3 ASP 69 HB2 ASP 69 -17.747 -27.205 2.045 532 H ALA 70 H ALA 70 -19.122 -24.156 0.791 533 HA ALA 70 HA ALA 70 -21.536 -25.580 0.995 534 HB1 ALA 70 HB1 ALA 70 -21.140 -22.653 0.375 535 HB2 ALA 70 HB2 ALA 70 -21.204 -23.366 1.988 536 HB3 ALA 70 HB3 ALA 70 -22.629 -23.402 0.949 537 H ALA 71 H ALA 71 -20.065 -23.805 -1.693 538 HA ALA 71 HA ALA 71 -22.195 -24.199 -3.526 539 HB1 ALA 71 HB1 ALA 71 -20.595 -23.546 -5.242 540 HB2 ALA 71 HB2 ALA 71 -19.268 -23.738 -4.098 541 HB3 ALA 71 HB3 ALA 71 -20.476 -22.478 -3.843 542 H MET 72 H MET 72 -19.293 -26.019 -2.736 543 HA MET 72 HA MET 72 -19.516 -27.976 -4.769 544 HB2 MET 72 HB3 MET 72 -18.217 -28.113 -2.042 545 HB3 MET 72 HB2 MET 72 -18.053 -29.349 -3.279 546 HG2 MET 72 HG3 MET 72 -17.022 -27.670 -4.768 547 HG3 MET 72 HG2 MET 72 -17.122 -26.499 -3.457 548 HE1 MET 72 HE1 MET 72 -14.612 -28.038 -5.257 549 HE2 MET 72 HE2 MET 72 -13.327 -27.882 -4.061 550 HE3 MET 72 HE3 MET 72 -14.386 -26.513 -4.400 551 H ASN 73 H ASN 73 -20.821 -27.719 -1.518 552 HA ASN 73 HA ASN 73 -21.910 -30.385 -1.510 553 HB2 ASN 73 HB3 ASN 73 -22.435 -28.053 0.349 554 HB3 ASN 73 HB2 ASN 73 -22.931 -29.719 0.632 555 HD21 ASN 73 HD21 ASN 73 -21.137 -27.894 2.131 556 HD22 ASN 73 HD22 ASN 73 -19.635 -28.747 2.277 557 H ALA 74 H ALA 74 -22.764 -27.610 -3.054 558 HA ALA 74 HA ALA 74 -25.645 -28.087 -2.931 559 HB1 ALA 74 HB1 ALA 74 -24.096 -25.899 -4.315 560 HB2 ALA 74 HB2 ALA 74 -24.861 -25.772 -2.728 561 HB3 ALA 74 HB3 ALA 74 -25.850 -25.998 -4.174 562 H ARG 75 H ARG 75 -23.336 -29.614 -4.412 563 HA ARG 75 HA ARG 75 -24.117 -29.468 -7.165 564 HB2 ARG 75 HB3 ARG 75 -22.576 -31.298 -7.521 565 HB3 ARG 75 HB2 ARG 75 -21.830 -30.113 -6.459 566 HG2 ARG 75 HG3 ARG 75 -22.453 -31.542 -4.524 567 HG3 ARG 75 HG2 ARG 75 -23.030 -32.757 -5.666 568 HD2 ARG 75 HD3 ARG 75 -20.795 -32.889 -6.651 569 HD3 ARG 75 HD2 ARG 75 -20.221 -31.669 -5.515 570 HE ARG 75 HE ARG 75 -21.194 -34.332 -4.697 571 HH11 ARG 75 HH11 ARG 75 -19.010 -31.615 -4.353 572 HH12 ARG 75 HH12 ARG 75 -18.105 -32.340 -3.058 573 HH21 ARG 75 HH21 ARG 75 -20.012 -35.297 -3.009 574 HH22 ARG 75 HH22 ARG 75 -18.679 -34.438 -2.288 575 HA PRO 76 HA PRO 76 -24.062 -31.168 -8.969 576 HB2 PRO 76 HB3 PRO 76 -26.669 -31.232 -10.330 577 HB3 PRO 76 HB2 PRO 76 -25.203 -32.152 -10.676 578 HG2 PRO 76 HG3 PRO 76 -27.387 -33.304 -9.614 579 HG3 PRO 76 HG2 PRO 76 -25.747 -33.831 -9.192 580 HD2 PRO 76 HD3 PRO 76 -27.636 -32.094 -7.652 581 HD3 PRO 76 HD2 PRO 76 -26.553 -33.374 -7.072 582 H HIS 77 H HIS 77 -23.558 -29.143 -9.452 583 HA HIS 77 HA HIS 77 -25.196 -26.984 -8.548 584 HB2 HIS 77 HB3 HIS 77 -22.576 -27.160 -8.712 585 HB3 HIS 77 HB2 HIS 77 -22.839 -26.573 -10.352 586 HD2 HIS 77 HD2 HIS 77 -22.544 -25.265 -6.803 587 HE1 HIS 77 HE1 HIS 77 -24.087 -22.119 -9.176 588 HE2 HIS 77 HE2 HIS 77 -22.912 -22.708 -7.010 589 H LYS 78 H LYS 78 -25.958 -25.238 -9.895 590 HA LYS 78 HA LYS 78 -26.572 -26.027 -12.646 591 HB2 LYS 78 HB3 LYS 78 -28.443 -26.784 -11.230 592 HB3 LYS 78 HB2 LYS 78 -28.625 -25.154 -10.600 593 HG2 LYS 78 HG3 LYS 78 -30.314 -25.529 -12.242 594 HG3 LYS 78 HG2 LYS 78 -29.149 -24.379 -12.897 595 HD2 LYS 78 HD3 LYS 78 -29.784 -26.016 -14.581 596 HD3 LYS 78 HD2 LYS 78 -28.080 -26.188 -14.157 597 HE2 LYS 78 HE3 LYS 78 -29.173 -28.360 -14.357 598 HE3 LYS 78 HE2 LYS 78 -28.617 -28.073 -12.710 599 HZ1 LYS 78 HZ1 LYS 78 -30.839 -29.049 -12.791 600 HZ2 LYS 78 HZ2 LYS 78 -31.414 -27.707 -13.656 601 HZ3 LYS 78 HZ3 LYS 78 -30.863 -27.518 -12.064 602 H VAL 79 H VAL 79 -25.782 -24.415 -13.807 603 HA VAL 79 HA VAL 79 -26.628 -21.696 -13.134 604 HB VAL 79 HB VAL 79 -24.430 -21.518 -12.376 605 HG11 VAL 79 HG11 VAL 79 -22.478 -22.466 -13.497 606 HG12 VAL 79 HG12 VAL 79 -23.534 -23.193 -14.708 607 HG13 VAL 79 HG13 VAL 79 -23.643 -23.703 -13.021 608 HG21 VAL 79 HG21 VAL 79 -23.184 -20.214 -14.037 609 HG22 VAL 79 HG22 VAL 79 -24.888 -19.762 -13.991 610 HG23 VAL 79 HG23 VAL 79 -24.282 -20.781 -15.296 611 H ASP 80 H ASP 80 -27.611 -20.771 -14.759 612 HA ASP 80 HA ASP 80 -28.464 -20.317 -16.795 613 HB2 ASP 80 HB3 ASP 80 -25.759 -21.325 -17.675 614 HB3 ASP 80 HB2 ASP 80 -26.953 -20.693 -18.799 615 H GLY 81 H GLY 81 -28.998 -22.828 -15.522 616 HA2 GLY 81 HA3 GLY 81 -30.235 -24.708 -15.990 617 HA3 GLY 81 HA2 GLY 81 -30.328 -24.163 -17.657 618 H ARG 82 H ARG 82 -27.227 -24.555 -16.196 619 HA ARG 82 HA ARG 82 -26.872 -27.111 -17.608 620 HB2 ARG 82 HB3 ARG 82 -25.821 -25.320 -18.889 621 HB3 ARG 82 HB2 ARG 82 -24.955 -24.773 -17.462 622 HG2 ARG 82 HG3 ARG 82 -23.556 -26.044 -19.044 623 HG3 ARG 82 HG2 ARG 82 -23.623 -26.762 -17.434 624 HD2 ARG 82 HD3 ARG 82 -23.795 -28.395 -19.311 625 HD3 ARG 82 HD2 ARG 82 -25.134 -28.449 -18.167 626 HE ARG 82 HE ARG 82 -25.471 -26.857 -20.599 627 HH11 ARG 82 HH11 ARG 82 -26.147 -29.828 -18.858 628 HH12 ARG 82 HH12 ARG 82 -27.568 -30.198 -19.797 629 HH21 ARG 82 HH21 ARG 82 -27.338 -27.345 -21.825 630 HH22 ARG 82 HH22 ARG 82 -28.231 -28.796 -21.491 631 H VAL 83 H VAL 83 -25.977 -28.710 -16.437 632 HA VAL 83 HA VAL 83 -25.286 -28.212 -13.677 633 HB VAL 83 HB VAL 83 -25.167 -30.786 -15.259 634 HG11 VAL 83 HG11 VAL 83 -25.112 -31.884 -13.061 635 HG12 VAL 83 HG12 VAL 83 -25.017 -30.301 -12.287 636 HG13 VAL 83 HG13 VAL 83 -23.702 -30.856 -13.323 637 HG21 VAL 83 HG21 VAL 83 -27.434 -29.917 -15.125 638 HG22 VAL 83 HG22 VAL 83 -27.281 -29.752 -13.376 639 HG23 VAL 83 HG23 VAL 83 -27.257 -31.352 -14.116 640 H VAL 84 H VAL 84 -23.305 -27.916 -12.909 641 HA VAL 84 HA VAL 84 -21.035 -28.400 -14.727 642 HB VAL 84 HB VAL 84 -19.921 -26.447 -13.780 643 HG11 VAL 84 HG11 VAL 84 -21.350 -24.706 -14.750 644 HG12 VAL 84 HG12 VAL 84 -22.696 -25.844 -14.791 645 HG13 VAL 84 HG13 VAL 84 -21.263 -26.138 -15.776 646 HG21 VAL 84 HG21 VAL 84 -20.925 -26.480 -11.552 647 HG22 VAL 84 HG22 VAL 84 -22.480 -26.008 -12.238 648 HG23 VAL 84 HG23 VAL 84 -21.112 -24.897 -12.306 649 H GLU 85 H GLU 85 -18.912 -28.404 -13.497 650 HA GLU 85 HA GLU 85 -19.223 -29.688 -10.863 651 HB2 GLU 85 HB3 GLU 85 -17.131 -30.066 -12.989 652 HB3 GLU 85 HB2 GLU 85 -16.816 -30.482 -11.314 653 HG2 GLU 85 HG3 GLU 85 -18.902 -31.947 -11.482 654 HG3 GLU 85 HG2 GLU 85 -18.742 -31.731 -13.227 655 HA PRO 86 HA PRO 86 -16.822 -26.098 -9.687 656 HB2 PRO 86 HB3 PRO 86 -17.889 -25.976 -7.162 657 HB3 PRO 86 HB2 PRO 86 -18.600 -25.225 -8.594 658 HG2 PRO 86 HG3 PRO 86 -19.600 -27.449 -7.046 659 HG3 PRO 86 HG2 PRO 86 -20.372 -26.606 -8.395 660 HD2 PRO 86 HD3 PRO 86 -18.891 -29.144 -8.381 661 HD3 PRO 86 HD2 PRO 86 -20.021 -28.505 -9.592 662 H LYS 87 H LYS 87 -14.800 -26.828 -9.500 663 HA LYS 87 HA LYS 87 -14.165 -28.783 -7.377 664 HB2 LYS 87 HB3 LYS 87 -12.718 -28.388 -10.005 665 HB3 LYS 87 HB2 LYS 87 -12.494 -29.703 -8.860 666 HG2 LYS 87 HG3 LYS 87 -14.319 -30.826 -9.578 667 HG3 LYS 87 HG2 LYS 87 -15.221 -29.353 -9.938 668 HD2 LYS 87 HD3 LYS 87 -14.811 -30.294 -12.031 669 HD3 LYS 87 HD2 LYS 87 -13.571 -29.051 -11.873 670 HE2 LYS 87 HE3 LYS 87 -12.523 -30.987 -12.746 671 HE3 LYS 87 HE2 LYS 87 -12.015 -30.839 -11.071 672 HZ1 LYS 87 HZ1 LYS 87 -13.451 -32.574 -10.430 673 HZ2 LYS 87 HZ2 LYS 87 -12.680 -33.129 -11.835 674 HZ3 LYS 87 HZ3 LYS 87 -14.279 -32.560 -11.909 675 H ARG 88 H ARG 88 -12.104 -28.553 -6.337 676 HA ARG 88 HA ARG 88 -11.251 -25.918 -5.792 677 HB2 ARG 88 HB3 ARG 88 -10.735 -28.485 -4.789 678 HB3 ARG 88 HB2 ARG 88 -9.178 -27.928 -5.378 679 HG2 ARG 88 HG3 ARG 88 -9.268 -27.343 -3.106 680 HG3 ARG 88 HG2 ARG 88 -9.539 -25.845 -3.997 681 HD2 ARG 88 HD3 ARG 88 -11.829 -25.830 -3.496 682 HD3 ARG 88 HD2 ARG 88 -11.828 -27.528 -3.022 683 HE ARG 88 HE ARG 88 -10.166 -25.825 -1.379 684 HH11 ARG 88 HH11 ARG 88 -13.379 -27.179 -1.816 685 HH12 ARG 88 HH12 ARG 88 -13.832 -26.998 -0.148 686 HH21 ARG 88 HH21 ARG 88 -10.758 -25.598 0.827 687 HH22 ARG 88 HH22 ARG 88 -12.343 -26.086 1.346 688 H ALA 89 H ALA 89 -9.774 -24.628 -6.799 689 HA ALA 89 HA ALA 89 -8.985 -25.373 -9.440 690 HB1 ALA 89 HB1 ALA 89 -8.099 -23.127 -9.614 691 HB2 ALA 89 HB2 ALA 89 -8.270 -22.904 -7.874 692 HB3 ALA 89 HB3 ALA 89 -9.704 -23.103 -8.882 693 H VAL 90 H VAL 90 -7.093 -25.930 -10.240 694 HA VAL 90 HA VAL 90 -4.847 -26.464 -8.462 695 HB VAL 90 HB VAL 90 -5.691 -28.117 -10.206 696 HG11 VAL 90 HG11 VAL 90 -4.380 -26.186 -12.107 697 HG12 VAL 90 HG12 VAL 90 -6.097 -26.582 -12.025 698 HG13 VAL 90 HG13 VAL 90 -4.931 -27.811 -12.515 699 HG21 VAL 90 HG21 VAL 90 -3.437 -28.248 -9.153 700 HG22 VAL 90 HG22 VAL 90 -2.793 -27.383 -10.549 701 HG23 VAL 90 HG23 VAL 90 -3.536 -28.966 -10.759 702 H SER 91 H SER 91 -2.585 -25.862 -9.588 703 HA SER 91 HA SER 91 -2.418 -23.081 -9.865 704 HB2 SER 91 HB3 SER 91 -0.440 -24.295 -9.270 705 HB3 SER 91 HB2 SER 91 -0.530 -25.276 -10.733 706 HG SER 91 HG SER 91 0.228 -22.572 -10.428 707 H ARG 92 H ARG 92 -2.425 -21.719 -11.577 708 HA ARG 92 HA ARG 92 -3.772 -22.456 -13.934 709 HB2 ARG 92 HB3 ARG 92 -3.301 -20.237 -14.739 710 HB3 ARG 92 HB2 ARG 92 -3.656 -20.131 -13.020 711 HG2 ARG 92 HG3 ARG 92 -1.295 -19.943 -12.514 712 HG3 ARG 92 HG2 ARG 92 -0.894 -20.137 -14.222 713 HD2 ARG 92 HD3 ARG 92 -2.257 -18.080 -14.670 714 HD3 ARG 92 HD2 ARG 92 -2.370 -17.856 -12.925 715 HE ARG 92 HE ARG 92 0.258 -18.014 -14.261 716 HH11 ARG 92 HH11 ARG 92 -2.044 -16.314 -12.234 717 HH12 ARG 92 HH12 ARG 92 -0.951 -15.026 -11.847 718 HH21 ARG 92 HH21 ARG 92 1.713 -16.340 -13.715 719 HH22 ARG 92 HH22 ARG 92 1.191 -15.047 -12.669 720 H GLU 93 H GLU 93 -0.405 -22.443 -13.061 721 HA GLU 93 HA GLU 93 0.583 -22.530 -15.756 722 HB2 GLU 93 HB3 GLU 93 1.970 -23.126 -13.139 723 HB3 GLU 93 HB2 GLU 93 2.766 -22.952 -14.695 724 HG2 GLU 93 HG3 GLU 93 1.326 -20.836 -13.124 725 HG3 GLU 93 HG2 GLU 93 3.048 -20.923 -13.497 726 H ASP 94 H ASP 94 0.049 -24.855 -13.170 727 HA ASP 94 HA ASP 94 1.365 -27.040 -14.326 728 HB2 ASP 94 HB3 ASP 94 -0.703 -26.721 -12.200 729 HB3 ASP 94 HB2 ASP 94 -0.352 -28.339 -12.803 730 H SER 95 H SER 95 -1.600 -25.604 -15.212 731 HA SER 95 HA SER 95 -2.239 -27.996 -16.806 732 HB2 SER 95 HB3 SER 95 -3.952 -27.386 -15.101 733 HB3 SER 95 HB2 SER 95 -4.164 -25.839 -15.916 734 HG SER 95 HG SER 95 -4.915 -26.914 -17.727 735 H GLN 96 H GLN 96 -0.570 -25.375 -17.248 736 HA GLN 96 HA GLN 96 -1.724 -24.845 -19.908 737 HB2 GLN 96 HB3 GLN 96 -0.474 -22.906 -17.984 738 HB3 GLN 96 HB2 GLN 96 -0.507 -22.581 -19.711 739 HG2 GLN 96 HG3 GLN 96 -2.969 -22.804 -19.660 740 HG3 GLN 96 HG2 GLN 96 -2.880 -22.987 -17.907 741 HE21 GLN 96 HE21 GLN 96 -2.252 -21.226 -16.652 742 HE22 GLN 96 HE22 GLN 96 -2.320 -19.604 -17.254 743 H ARG 97 H ARG 97 1.280 -24.922 -18.004 744 HA ARG 97 HA ARG 97 2.753 -25.178 -20.524 745 HB2 ARG 97 HB3 ARG 97 4.787 -24.752 -19.114 746 HB3 ARG 97 HB2 ARG 97 3.646 -23.420 -19.189 747 HG2 ARG 97 HG3 ARG 97 2.773 -24.084 -16.978 748 HG3 ARG 97 HG2 ARG 97 4.000 -25.351 -16.906 749 HD2 ARG 97 HD3 ARG 97 4.816 -23.480 -15.669 750 HD3 ARG 97 HD2 ARG 97 5.737 -23.574 -17.169 751 HE ARG 97 HE ARG 97 3.444 -21.731 -16.936 752 HH11 ARG 97 HH11 ARG 97 6.875 -22.279 -17.438 753 HH12 ARG 97 HH12 ARG 97 7.190 -20.637 -17.926 754 HH21 ARG 97 HH21 ARG 97 3.847 -19.595 -17.598 755 HH22 ARG 97 HH22 ARG 97 5.466 -19.106 -18.018 756 H5' U 1 H5' U 1 -16.559 -28.848 -19.896 757 H5'' U 1 H5'' U 1 -17.763 -30.082 -20.307 758 H4' U 1 H4' U 1 -15.968 -29.977 -22.456 759 H3' U 1 H3' U 1 -15.750 -27.455 -21.334 760 H2' U 1 H2' U 1 -17.966 -26.702 -21.815 761 HO2' U 1 HO2' U 1 -16.335 -25.725 -23.392 762 H1' U 1 H1' U 1 -17.922 -28.469 -24.328 763 H3 U 1 H3 U 1 -22.194 -28.057 -25.425 764 H5 U 1 H5 U 1 -22.243 -27.146 -21.327 765 H6 U 1 H6 U 1 -19.866 -27.522 -21.291 766 HO5' U 1 HO5' U 1 -16.288 -31.577 -20.173 767 H5' U 2 H5' U 2 -14.206 -29.136 -20.327 768 H5'' U 2 H5'' U 2 -14.892 -27.512 -20.124 769 H4' U 2 H4' U 2 -12.553 -26.859 -19.295 770 H3' U 2 H3' U 2 -11.600 -29.263 -19.874 771 H2' U 2 H2' U 2 -13.186 -30.576 -18.611 772 HO2' U 2 HO2' U 2 -11.354 -31.331 -17.695 773 H1' U 2 H1' U 2 -12.942 -28.640 -16.255 774 H3 U 2 H3 U 2 -16.097 -30.878 -14.063 775 H5 U 2 H5 U 2 -17.603 -30.770 -17.974 776 H6 U 2 H6 U 2 -15.561 -29.689 -18.646 777 H5' A 3 H5' A 3 -10.265 -26.001 -17.234 778 H5'' A 3 H5'' A 3 -11.263 -24.846 -18.135 779 H4' A 3 H4' A 3 -9.650 -23.302 -18.223 780 H3' A 3 H3' A 3 -8.128 -24.921 -19.639 781 H2' A 3 H2' A 3 -7.354 -26.409 -17.926 782 HO2' A 3 HO2' A 3 -5.648 -24.159 -18.071 783 H1' A 3 H1' A 3 -6.902 -24.204 -15.902 784 H8 A 3 H8 A 3 -7.585 -27.767 -16.695 785 H61 A 3 H61 A 3 -8.434 -29.434 -12.208 786 H62 A 3 H62 A 3 -8.705 -28.648 -10.669 787 H2 A 3 H2 A 3 -8.467 -24.231 -11.412 788 H5' G 4 H5' G 4 -8.971 -21.809 -18.759 789 H5'' G 4 H5'' G 4 -9.518 -20.378 -19.656 790 H4' G 4 H4' G 4 -7.836 -19.064 -18.900 791 H3' G 4 H3' G 4 -6.080 -21.450 -18.891 792 H2' G 4 H2' G 4 -5.390 -21.110 -16.704 793 HO2' G 4 HO2' G 4 -4.471 -19.011 -18.004 794 H1' G 4 H1' G 4 -7.099 -18.594 -16.497 795 H8 G 4 H8 G 4 -8.153 -18.359 -14.192 796 H1 G 4 H1 G 4 -5.697 -23.979 -12.324 797 H21 G 4 H21 G 4 -4.799 -24.346 -15.651 798 H22 G 4 H22 G 4 -4.793 -25.022 -14.038 799 H5' G 5 H5' G 5 -5.370 -15.942 -18.580 800 H5'' G 5 H5'' G 5 -6.491 -16.049 -17.209 801 H4' G 5 H4' G 5 -7.252 -15.415 -20.056 802 H3' G 5 H3' G 5 -6.037 -13.587 -18.445 803 H2' G 5 H2' G 5 -7.552 -12.962 -16.814 804 HO2' G 5 HO2' G 5 -8.809 -12.266 -19.175 805 H1' G 5 H1' G 5 -9.984 -14.327 -17.420 806 H8 G 5 H8 G 5 -7.858 -17.106 -16.821 807 H1 G 5 H1 G 5 -8.800 -13.853 -11.375 808 H21 G 5 H21 G 5 -9.881 -11.299 -13.454 809 H22 G 5 H22 G 5 -9.588 -11.847 -11.818 810 H5' U 6 H5' U 6 -3.589 -14.950 -19.980 811 H5'' U 6 H5'' U 6 -5.241 -14.955 -19.336 812 H4' U 6 H4' U 6 -4.241 -12.390 -18.859 813 H3' U 6 H3' U 6 -1.923 -13.852 -19.055 814 H2' U 6 H2' U 6 -2.312 -15.296 -17.177 815 HO2' U 6 HO2' U 6 -0.943 -13.027 -16.575 816 H1' U 6 H1' U 6 -3.727 -12.947 -15.783 817 H3 U 6 H3 U 6 -4.476 -15.462 -12.162 818 H5 U 6 H5 U 6 -5.535 -18.008 -15.327 819 H6 U 6 H6 U 6 -4.765 -16.316 -16.849 820 H5' C 7 H5' C 7 -0.023 -10.056 -17.833 821 H5'' C 7 H5'' C 7 1.116 -9.658 -19.135 822 H4' C 7 H4' C 7 2.197 -10.995 -17.445 823 H3' C 7 H3' C 7 1.867 -12.284 -20.141 824 HO3' C 7 HO3' C 7 4.094 -11.412 -18.661 825 H2' C 7 H2' C 7 2.893 -14.268 -19.304 826 HO2' C 7 HO2' C 7 4.146 -14.285 -17.491 827 H1' C 7 H1' C 7 1.674 -14.214 -16.756 828 H41 C 7 H41 C 7 -2.296 -17.231 -21.106 829 H42 C 7 H42 C 7 -2.209 -18.240 -19.679 830 H5 C 7 H5 C 7 -1.113 -15.133 -21.310 831 H6 C 7 H6 C 7 0.383 -13.570 -20.187 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 -8.220 3.455 -1.442 2 H2 ALA 1 H2 ALA 1 -8.322 3.060 -3.089 3 H3 ALA 1 H3 ALA 1 -7.476 4.447 -2.599 4 HA ALA 1 HA ALA 1 -6.732 1.646 -2.001 5 HB1 ALA 1 HB1 ALA 1 -4.833 2.048 -3.470 6 HB2 ALA 1 HB2 ALA 1 -5.419 3.678 -3.803 7 HB3 ALA 1 HB3 ALA 1 -6.353 2.280 -4.335 8 H SER 2 H SER 2 -4.583 1.484 -1.034 9 HA SER 2 HA SER 2 -3.198 1.870 0.716 10 HB2 SER 2 HB3 SER 2 -2.381 3.701 -0.768 11 HB3 SER 2 HB2 SER 2 -3.528 4.797 -0.001 12 HG SER 2 HG SER 2 -1.125 3.773 0.937 13 H LYS 3 H LYS 3 -5.185 1.101 1.828 14 HA LYS 3 HA LYS 3 -5.827 2.806 4.049 15 HB2 LYS 3 HB3 LYS 3 -7.401 3.672 2.374 16 HB3 LYS 3 HB2 LYS 3 -7.998 2.046 2.080 17 HG2 LYS 3 HG3 LYS 3 -8.858 1.935 4.351 18 HG3 LYS 3 HG2 LYS 3 -8.229 3.551 4.678 19 HD2 LYS 3 HD3 LYS 3 -9.666 4.432 2.868 20 HD3 LYS 3 HD2 LYS 3 -10.340 2.816 2.652 21 HE2 LYS 3 HE3 LYS 3 -11.783 4.253 4.027 22 HE3 LYS 3 HE2 LYS 3 -11.203 2.843 4.914 23 HZ1 LYS 3 HZ1 LYS 3 -9.876 5.489 5.075 24 HZ2 LYS 3 HZ2 LYS 3 -9.670 4.151 6.101 25 HZ3 LYS 3 HZ3 LYS 3 -11.122 5.024 6.128 26 H SER 4 H SER 4 -6.798 -0.037 2.182 27 HA SER 4 HA SER 4 -6.911 -1.561 4.701 28 HB2 SER 4 HB3 SER 4 -8.429 -2.164 2.151 29 HB3 SER 4 HB2 SER 4 -8.622 -2.951 3.718 30 HG SER 4 HG SER 4 -9.339 -0.919 4.548 31 H GLU 5 H GLU 5 -5.181 -2.831 4.874 32 HA GLU 5 HA GLU 5 -3.656 -3.625 2.579 33 HB2 GLU 5 HB3 GLU 5 -3.451 -4.412 5.487 34 HB3 GLU 5 HB2 GLU 5 -2.319 -4.929 4.244 35 HG2 GLU 5 HG3 GLU 5 -2.833 -2.124 5.193 36 HG3 GLU 5 HG2 GLU 5 -1.368 -3.081 5.405 37 H SER 6 H SER 6 -3.636 -5.524 1.534 38 HA SER 6 HA SER 6 -5.920 -7.267 2.077 39 HB2 SER 6 HB3 SER 6 -4.129 -7.180 -0.358 40 HB3 SER 6 HB2 SER 6 -5.683 -8.001 -0.214 41 HG SER 6 HG SER 6 -6.480 -5.757 0.314 42 HA PRO 7 HA PRO 7 -3.028 -10.352 3.675 43 HB2 PRO 7 HB3 PRO 7 -5.482 -11.999 3.652 44 HB3 PRO 7 HB2 PRO 7 -4.395 -11.628 4.993 45 HG2 PRO 7 HG3 PRO 7 -6.850 -10.554 4.830 46 HG3 PRO 7 HG2 PRO 7 -5.476 -9.654 5.501 47 HD2 PRO 7 HD3 PRO 7 -6.754 -9.435 2.805 48 HD3 PRO 7 HD2 PRO 7 -6.119 -8.155 3.860 49 H LYS 8 H LYS 8 -1.812 -11.540 2.322 50 HA LYS 8 HA LYS 8 -2.750 -12.072 -0.329 51 HB2 LYS 8 HB3 LYS 8 -0.388 -11.425 0.254 52 HB3 LYS 8 HB2 LYS 8 -0.177 -13.041 0.914 53 HG2 LYS 8 HG3 LYS 8 -0.658 -14.005 -1.278 54 HG3 LYS 8 HG2 LYS 8 -0.879 -12.387 -1.943 55 HD2 LYS 8 HD3 LYS 8 1.326 -13.120 -2.507 56 HD3 LYS 8 HD2 LYS 8 1.469 -11.873 -1.266 57 HE2 LYS 8 HE3 LYS 8 1.657 -13.671 0.438 58 HE3 LYS 8 HE2 LYS 8 1.658 -14.856 -0.869 59 HZ1 LYS 8 HZ1 LYS 8 3.653 -13.712 -1.760 60 HZ2 LYS 8 HZ2 LYS 8 3.894 -14.420 -0.238 61 HZ3 LYS 8 HZ3 LYS 8 3.681 -12.743 -0.368 62 H GLU 9 H GLU 9 -4.445 -13.439 -0.032 63 HA GLU 9 HA GLU 9 -3.975 -16.116 0.983 64 HB2 GLU 9 HB3 GLU 9 -6.422 -16.381 0.425 65 HB3 GLU 9 HB2 GLU 9 -6.065 -15.131 1.611 66 HG2 GLU 9 HG3 GLU 9 -6.152 -13.468 -0.264 67 HG3 GLU 9 HG2 GLU 9 -6.756 -14.766 -1.290 68 HA PRO 10 HA PRO 10 -3.252 -17.663 -3.114 69 HB2 PRO 10 HB3 PRO 10 -4.000 -20.324 -2.424 70 HB3 PRO 10 HB2 PRO 10 -2.373 -19.661 -2.537 71 HG2 PRO 10 HG3 PRO 10 -3.676 -20.489 -0.206 72 HG3 PRO 10 HG2 PRO 10 -2.186 -19.535 -0.292 73 HD2 PRO 10 HD3 PRO 10 -4.947 -18.671 0.313 74 HD3 PRO 10 HD2 PRO 10 -3.403 -17.924 0.766 75 H GLU 11 H GLU 11 -4.787 -17.025 -4.540 76 HA GLU 11 HA GLU 11 -7.541 -17.679 -4.220 77 HB2 GLU 11 HB3 GLU 11 -7.940 -16.489 -6.189 78 HB3 GLU 11 HB2 GLU 11 -6.542 -15.684 -5.488 79 HG2 GLU 11 HG3 GLU 11 -5.094 -17.015 -6.985 80 HG3 GLU 11 HG2 GLU 11 -6.548 -17.666 -7.740 81 H GLN 12 H GLN 12 -4.860 -19.348 -5.351 82 HA GLN 12 HA GLN 12 -5.806 -21.127 -7.232 83 HB2 GLN 12 HB3 GLN 12 -3.521 -21.248 -6.629 84 HB3 GLN 12 HB2 GLN 12 -3.897 -21.433 -4.923 85 HG2 GLN 12 HG3 GLN 12 -4.981 -23.664 -5.650 86 HG3 GLN 12 HG2 GLN 12 -4.018 -23.455 -7.113 87 HE21 GLN 12 HE21 GLN 12 -2.707 -25.211 -6.676 88 HE22 GLN 12 HE22 GLN 12 -1.519 -25.196 -5.416 89 H LEU 13 H LEU 13 -5.880 -21.587 -3.687 90 HA LEU 13 HA LEU 13 -7.620 -23.874 -4.078 91 HB2 LEU 13 HB3 LEU 13 -6.865 -24.653 -2.106 92 HB3 LEU 13 HB2 LEU 13 -5.577 -23.492 -2.372 93 HG LEU 13 HG LEU 13 -8.019 -22.744 -0.787 94 HD11 LEU 13 HD11 LEU 13 -7.135 -24.774 0.220 95 HD12 LEU 13 HD12 LEU 13 -6.793 -23.372 1.236 96 HD13 LEU 13 HD13 LEU 13 -5.516 -24.074 0.244 97 HD21 LEU 13 HD21 LEU 13 -6.463 -21.158 0.232 98 HD22 LEU 13 HD22 LEU 13 -6.541 -20.947 -1.518 99 HD23 LEU 13 HD23 LEU 13 -5.162 -21.774 -0.790 100 H ARG 14 H ARG 14 -8.044 -20.628 -3.756 101 HA ARG 14 HA ARG 14 -10.599 -20.914 -2.344 102 HB2 ARG 14 HB3 ARG 14 -9.066 -18.418 -3.095 103 HB3 ARG 14 HB2 ARG 14 -10.618 -18.433 -2.268 104 HG2 ARG 14 HG3 ARG 14 -9.526 -19.753 -0.442 105 HG3 ARG 14 HG2 ARG 14 -7.984 -19.458 -1.246 106 HD2 ARG 14 HD3 ARG 14 -8.365 -17.035 -1.043 107 HD3 ARG 14 HD2 ARG 14 -9.878 -17.359 -0.193 108 HE ARG 14 HE ARG 14 -7.338 -18.376 0.887 109 HH11 ARG 14 HH11 ARG 14 -10.057 -16.180 1.174 110 HH12 ARG 14 HH12 ARG 14 -9.829 -15.934 2.879 111 HH21 ARG 14 HH21 ARG 14 -7.058 -18.061 3.116 112 HH22 ARG 14 HH22 ARG 14 -8.147 -17.026 3.990 113 H LYS 15 H LYS 15 -9.354 -20.900 -5.432 114 HA LYS 15 HA LYS 15 -11.765 -19.729 -6.607 115 HB2 LYS 15 HB3 LYS 15 -9.388 -19.215 -7.465 116 HB3 LYS 15 HB2 LYS 15 -9.419 -20.834 -8.146 117 HG2 LYS 15 HG3 LYS 15 -11.456 -20.205 -9.414 118 HG3 LYS 15 HG2 LYS 15 -11.276 -18.557 -8.808 119 HD2 LYS 15 HD3 LYS 15 -9.266 -20.064 -10.483 120 HD3 LYS 15 HD2 LYS 15 -10.345 -18.794 -11.058 121 HE2 LYS 15 HE3 LYS 15 -8.219 -18.445 -8.951 122 HE3 LYS 15 HE2 LYS 15 -8.040 -18.011 -10.646 123 HZ1 LYS 15 HZ1 LYS 15 -9.782 -16.386 -10.410 124 HZ2 LYS 15 HZ2 LYS 15 -8.601 -16.110 -9.227 125 HZ3 LYS 15 HZ3 LYS 15 -10.068 -16.852 -8.808 126 H LEU 16 H LEU 16 -13.225 -20.887 -7.646 127 HA LEU 16 HA LEU 16 -13.022 -23.799 -7.538 128 HB2 LEU 16 HB3 LEU 16 -15.129 -21.815 -7.260 129 HB3 LEU 16 HB2 LEU 16 -15.585 -23.103 -8.348 130 HG LEU 16 HG LEU 16 -14.800 -23.321 -5.444 131 HD11 LEU 16 HD11 LEU 16 -17.329 -24.012 -6.920 132 HD12 LEU 16 HD12 LEU 16 -17.086 -22.617 -5.869 133 HD13 LEU 16 HD13 LEU 16 -17.041 -24.246 -5.196 134 HD21 LEU 16 HD21 LEU 16 -15.345 -25.542 -7.404 135 HD22 LEU 16 HD22 LEU 16 -15.156 -25.730 -5.661 136 HD23 LEU 16 HD23 LEU 16 -13.797 -25.180 -6.640 137 H PHE 17 H PHE 17 -12.775 -24.941 -9.319 138 HA PHE 17 HA PHE 17 -12.742 -23.653 -11.918 139 HB2 PHE 17 HB3 PHE 17 -10.972 -25.249 -11.391 140 HB3 PHE 17 HB2 PHE 17 -12.161 -26.496 -11.047 141 HD1 PHE 17 HD1 PHE 17 -12.162 -28.146 -12.624 142 HD2 PHE 17 HD2 PHE 17 -11.586 -24.123 -13.873 143 HE1 PHE 17 HE1 PHE 17 -12.038 -28.893 -14.963 144 HE2 PHE 17 HE2 PHE 17 -11.461 -24.860 -16.213 145 HZ PHE 17 HZ PHE 17 -11.679 -27.245 -16.765 146 H ILE 18 H ILE 18 -14.560 -23.459 -13.044 147 HA ILE 18 HA ILE 18 -16.750 -25.347 -12.476 148 HB ILE 18 HB ILE 18 -17.010 -22.604 -13.710 149 HG12 ILE 18 HG12 ILE 18 -16.151 -22.264 -11.497 150 HG13 ILE 18 HG13 ILE 18 -17.877 -21.923 -11.459 151 HG21 ILE 18 HG21 ILE 18 -19.373 -22.849 -13.102 152 HG22 ILE 18 HG22 ILE 18 -19.041 -24.469 -12.490 153 HG23 ILE 18 HG23 ILE 18 -18.842 -24.116 -14.206 154 HD11 ILE 18 HD11 ILE 18 -18.288 -24.121 -10.483 155 HD12 ILE 18 HD12 ILE 18 -17.181 -23.161 -9.498 156 HD13 ILE 18 HD13 ILE 18 -16.556 -24.455 -10.520 157 H GLY 19 H GLY 19 -16.704 -26.896 -13.994 158 HA2 GLY 19 HA3 GLY 19 -16.308 -26.006 -16.781 159 HA3 GLY 19 HA2 GLY 19 -15.783 -27.571 -16.179 160 H GLY 20 H GLY 20 -17.679 -26.695 -18.348 161 HA2 GLY 20 HA3 GLY 20 -19.284 -28.140 -19.285 162 HA3 GLY 20 HA2 GLY 20 -19.667 -28.727 -17.675 163 H LEU 21 H LEU 21 -19.470 -25.299 -18.269 164 HA LEU 21 HA LEU 21 -22.323 -25.128 -17.713 165 HB2 LEU 21 HB3 LEU 21 -21.856 -22.643 -17.556 166 HB3 LEU 21 HB2 LEU 21 -21.137 -23.667 -16.334 167 HG LEU 21 HG LEU 21 -19.028 -23.573 -17.864 168 HD11 LEU 21 HD11 LEU 21 -20.200 -22.418 -19.721 169 HD12 LEU 21 HD12 LEU 21 -18.777 -21.561 -19.134 170 HD13 LEU 21 HD13 LEU 21 -20.386 -21.014 -18.673 171 HD21 LEU 21 HD21 LEU 21 -18.291 -21.558 -16.674 172 HD22 LEU 21 HD22 LEU 21 -19.142 -22.684 -15.616 173 HD23 LEU 21 HD23 LEU 21 -19.962 -21.238 -16.205 174 H SER 22 H SER 22 -23.472 -23.245 -18.915 175 HA SER 22 HA SER 22 -23.603 -24.201 -21.605 176 HB2 SER 22 HB3 SER 22 -25.513 -22.662 -21.810 177 HB3 SER 22 HB2 SER 22 -25.630 -23.632 -20.341 178 HG SER 22 HG SER 22 -26.083 -21.449 -19.897 179 H PHE 23 H PHE 23 -23.922 -22.514 -23.399 180 HA PHE 23 HA PHE 23 -21.500 -20.916 -23.484 181 HB2 PHE 23 HB3 PHE 23 -23.609 -21.378 -25.610 182 HB3 PHE 23 HB2 PHE 23 -22.042 -20.613 -25.857 183 HD1 PHE 23 HD1 PHE 23 -23.841 -23.717 -25.685 184 HD2 PHE 23 HD2 PHE 23 -19.959 -21.984 -25.509 185 HE1 PHE 23 HE1 PHE 23 -22.840 -25.923 -26.121 186 HE2 PHE 23 HE2 PHE 23 -18.952 -24.185 -25.948 187 HZ PHE 23 HZ PHE 23 -20.391 -26.159 -26.251 188 H GLU 24 H GLU 24 -24.523 -20.483 -22.345 189 HA GLU 24 HA GLU 24 -24.725 -17.671 -23.136 190 HB2 GLU 24 HB3 GLU 24 -26.697 -19.342 -21.562 191 HB3 GLU 24 HB2 GLU 24 -26.982 -17.752 -22.261 192 HG2 GLU 24 HG3 GLU 24 -26.637 -18.724 -24.508 193 HG3 GLU 24 HG2 GLU 24 -26.481 -20.311 -23.761 194 H THR 25 H THR 25 -23.621 -19.669 -20.660 195 HA THR 25 HA THR 25 -24.019 -18.031 -18.396 196 HB THR 25 HB THR 25 -21.788 -20.011 -18.934 197 HG1 THR 25 HG1 THR 25 -24.124 -20.730 -18.954 198 HG21 THR 25 HG21 THR 25 -21.608 -20.135 -16.487 199 HG22 THR 25 HG22 THR 25 -22.829 -18.872 -16.333 200 HG23 THR 25 HG23 THR 25 -21.271 -18.506 -17.075 201 H THR 26 H THR 26 -23.136 -16.131 -17.915 202 HA THR 26 HA THR 26 -20.503 -15.465 -18.999 203 HB THR 26 HB THR 26 -22.022 -14.312 -20.460 204 HG1 THR 26 HG1 THR 26 -21.379 -12.148 -20.031 205 HG21 THR 26 HG21 THR 26 -23.689 -12.715 -19.639 206 HG22 THR 26 HG22 THR 26 -23.299 -13.167 -17.979 207 HG23 THR 26 HG23 THR 26 -24.019 -14.351 -19.070 208 H ASP 27 H ASP 27 -19.778 -13.288 -17.840 209 HA ASP 27 HA ASP 27 -19.071 -13.998 -15.290 210 HB2 ASP 27 HB3 ASP 27 -17.913 -12.256 -16.470 211 HB3 ASP 27 HB2 ASP 27 -19.344 -11.236 -16.475 212 H GLU 28 H GLU 28 -21.749 -11.837 -16.180 213 HA GLU 28 HA GLU 28 -22.578 -11.247 -13.576 214 HB2 GLU 28 HB3 GLU 28 -24.787 -10.691 -14.649 215 HB3 GLU 28 HB2 GLU 28 -23.385 -9.887 -15.337 216 HG2 GLU 28 HG3 GLU 28 -23.366 -11.423 -17.196 217 HG3 GLU 28 HG2 GLU 28 -24.700 -12.332 -16.490 218 H SER 29 H SER 29 -23.592 -13.894 -15.744 219 HA SER 29 HA SER 29 -25.541 -14.784 -13.810 220 HB2 SER 29 HB3 SER 29 -25.554 -16.810 -15.509 221 HB3 SER 29 HB2 SER 29 -26.309 -15.273 -15.925 222 HG SER 29 HG SER 29 -25.054 -15.476 -17.610 223 H LEU 30 H LEU 30 -22.246 -15.422 -14.590 224 HA LEU 30 HA LEU 30 -22.000 -17.968 -13.388 225 HB2 LEU 30 HB3 LEU 30 -20.345 -16.788 -14.924 226 HB3 LEU 30 HB2 LEU 30 -19.854 -15.850 -13.532 227 HG LEU 30 HG LEU 30 -18.369 -17.801 -14.133 228 HD11 LEU 30 HD11 LEU 30 -19.560 -17.798 -11.366 229 HD12 LEU 30 HD12 LEU 30 -18.249 -16.766 -11.939 230 HD13 LEU 30 HD13 LEU 30 -18.012 -18.511 -11.825 231 HD21 LEU 30 HD21 LEU 30 -19.084 -20.026 -13.411 232 HD22 LEU 30 HD22 LEU 30 -20.099 -19.405 -14.713 233 HD23 LEU 30 HD23 LEU 30 -20.690 -19.390 -13.051 234 H ARG 31 H ARG 31 -21.237 -14.706 -12.134 235 HA ARG 31 HA ARG 31 -20.669 -15.753 -9.553 236 HB2 ARG 31 HB3 ARG 31 -20.129 -13.604 -8.893 237 HB3 ARG 31 HB2 ARG 31 -19.817 -13.548 -10.620 238 HG2 ARG 31 HG3 ARG 31 -22.023 -12.487 -10.946 239 HG3 ARG 31 HG2 ARG 31 -22.237 -12.492 -9.189 240 HD2 ARG 31 HD3 ARG 31 -19.878 -11.189 -10.528 241 HD3 ARG 31 HD2 ARG 31 -21.389 -10.330 -10.226 242 HE ARG 31 HE ARG 31 -20.950 -11.111 -7.798 243 HH11 ARG 31 HH11 ARG 31 -18.466 -10.163 -10.093 244 HH12 ARG 31 HH12 ARG 31 -17.381 -9.575 -8.866 245 HH21 ARG 31 HH21 ARG 31 -19.542 -10.293 -6.201 246 HH22 ARG 31 HH22 ARG 31 -18.008 -9.616 -6.662 247 H SER 32 H SER 32 -23.551 -14.428 -11.069 248 HA SER 32 HA SER 32 -24.959 -13.926 -8.675 249 HB2 SER 32 HB3 SER 32 -25.606 -12.969 -10.866 250 HB3 SER 32 HB2 SER 32 -26.094 -14.573 -11.410 251 HG SER 32 HG SER 32 -27.289 -14.109 -9.088 252 H HIS 33 H HIS 33 -24.484 -16.856 -10.541 253 HA HIS 33 HA HIS 33 -26.499 -18.238 -8.953 254 HB2 HIS 33 HB3 HIS 33 -24.851 -19.085 -11.331 255 HB3 HIS 33 HB2 HIS 33 -25.834 -20.221 -10.413 256 HD2 HIS 33 HD2 HIS 33 -26.374 -17.002 -12.610 257 HE1 HIS 33 HE1 HIS 33 -29.918 -19.303 -12.539 258 HE2 HIS 33 HE2 HIS 33 -28.702 -17.392 -13.682 259 H PHE 34 H PHE 34 -23.212 -17.551 -8.749 260 HA PHE 34 HA PHE 34 -22.788 -19.909 -7.053 261 HB2 PHE 34 HB3 PHE 34 -20.912 -18.192 -8.613 262 HB3 PHE 34 HB2 PHE 34 -20.316 -19.014 -7.172 263 HD1 PHE 34 HD1 PHE 34 -19.991 -21.364 -7.133 264 HD2 PHE 34 HD2 PHE 34 -21.737 -19.502 -10.538 265 HE1 PHE 34 HE1 PHE 34 -19.697 -23.442 -8.414 266 HE2 PHE 34 HE2 PHE 34 -21.446 -21.579 -11.828 267 HZ PHE 34 HZ PHE 34 -20.425 -23.557 -10.766 268 H GLU 35 H GLU 35 -23.088 -16.457 -6.955 269 HA GLU 35 HA GLU 35 -21.885 -16.123 -4.384 270 HB2 GLU 35 HB3 GLU 35 -23.616 -14.355 -6.074 271 HB3 GLU 35 HB2 GLU 35 -23.182 -13.903 -4.433 272 HG2 GLU 35 HG3 GLU 35 -20.775 -14.238 -5.151 273 HG3 GLU 35 HG2 GLU 35 -21.388 -14.278 -6.802 274 H GLN 36 H GLN 36 -24.226 -18.041 -4.899 275 HA GLN 36 HA GLN 36 -26.196 -17.039 -3.003 276 HB2 GLN 36 HB3 GLN 36 -26.058 -19.409 -4.841 277 HB3 GLN 36 HB2 GLN 36 -27.265 -19.308 -3.569 278 HG2 GLN 36 HG3 GLN 36 -28.288 -17.429 -4.537 279 HG3 GLN 36 HG2 GLN 36 -26.908 -17.121 -5.588 280 HE21 GLN 36 HE21 GLN 36 -26.590 -19.872 -6.389 281 HE22 GLN 36 HE22 GLN 36 -27.889 -20.226 -7.476 282 H TRP 37 H TRP 37 -23.480 -19.141 -3.125 283 HA TRP 37 HA TRP 37 -24.163 -20.164 -0.449 284 HB2 TRP 37 HB3 TRP 37 -22.428 -21.439 -2.579 285 HB3 TRP 37 HB2 TRP 37 -22.619 -22.059 -0.944 286 HD1 TRP 37 HD1 TRP 37 -24.888 -23.309 -0.358 287 HE1 TRP 37 HE1 TRP 37 -26.797 -24.243 -1.808 288 HE3 TRP 37 HE3 TRP 37 -23.738 -21.008 -4.765 289 HZ2 TRP 37 HZ2 TRP 37 -27.691 -24.031 -4.469 290 HZ3 TRP 37 HZ3 TRP 37 -25.168 -21.435 -6.718 291 HH2 TRP 37 HH2 TRP 37 -27.101 -22.914 -6.573 292 H GLY 38 H GLY 38 -22.655 -17.726 -1.626 293 HA2 GLY 38 HA3 GLY 38 -20.998 -17.206 0.502 294 HA3 GLY 38 HA2 GLY 38 -19.971 -18.050 -0.646 295 H THR 39 H THR 39 -18.869 -15.881 -0.351 296 HA THR 39 HA THR 39 -20.025 -13.796 -2.079 297 HB THR 39 HB THR 39 -17.709 -13.677 -0.133 298 HG1 THR 39 HG1 THR 39 -19.193 -13.322 1.308 299 HG21 THR 39 HG21 THR 39 -17.889 -11.224 -0.443 300 HG22 THR 39 HG22 THR 39 -19.049 -11.507 -1.743 301 HG23 THR 39 HG23 THR 39 -17.387 -12.078 -1.902 302 H LEU 40 H LEU 40 -19.214 -13.674 -4.155 303 HA LEU 40 HA LEU 40 -16.619 -14.906 -4.651 304 HB2 LEU 40 HB3 LEU 40 -18.687 -13.820 -6.565 305 HB3 LEU 40 HB2 LEU 40 -17.107 -14.363 -7.055 306 HG LEU 40 HG LEU 40 -17.575 -16.588 -6.507 307 HD11 LEU 40 HD11 LEU 40 -19.423 -17.453 -5.424 308 HD12 LEU 40 HD12 LEU 40 -20.280 -15.918 -5.483 309 HD13 LEU 40 HD13 LEU 40 -18.880 -16.104 -4.425 310 HD21 LEU 40 HD21 LEU 40 -19.495 -17.059 -7.940 311 HD22 LEU 40 HD22 LEU 40 -18.436 -15.826 -8.626 312 HD23 LEU 40 HD23 LEU 40 -19.951 -15.358 -7.853 313 H THR 41 H THR 41 -14.949 -13.678 -4.260 314 HA THR 41 HA THR 41 -15.013 -10.813 -4.514 315 HB THR 41 HB THR 41 -12.590 -10.971 -3.990 316 HG1 THR 41 HG1 THR 41 -11.908 -13.226 -3.406 317 HG21 THR 41 HG21 THR 41 -12.827 -11.925 -1.741 318 HG22 THR 41 HG22 THR 41 -14.341 -12.691 -2.226 319 HG23 THR 41 HG23 THR 41 -14.224 -10.932 -2.161 320 H ASP 42 H ASP 42 -14.268 -13.556 -6.415 321 HA ASP 42 HA ASP 42 -13.667 -11.872 -8.726 322 HB2 ASP 42 HB3 ASP 42 -11.489 -12.571 -7.905 323 HB3 ASP 42 HB2 ASP 42 -12.017 -14.239 -7.830 324 H CYS 43 H CYS 43 -14.457 -12.687 -10.629 325 HA CYS 43 HA CYS 43 -15.442 -15.399 -10.777 326 HB2 CYS 43 HB3 CYS 43 -17.756 -14.772 -11.230 327 HB3 CYS 43 HB2 CYS 43 -17.279 -14.129 -9.665 328 HG CYS 43 HG CYS 43 -17.355 -12.260 -12.543 329 H VAL 44 H VAL 44 -15.582 -16.105 -12.937 330 HA VAL 44 HA VAL 44 -15.520 -14.244 -15.124 331 HB VAL 44 HB VAL 44 -13.180 -14.034 -14.446 332 HG11 VAL 44 HG11 VAL 44 -12.908 -16.149 -13.284 333 HG12 VAL 44 HG12 VAL 44 -11.652 -15.939 -14.503 334 HG13 VAL 44 HG13 VAL 44 -13.011 -17.019 -14.814 335 HG21 VAL 44 HG21 VAL 44 -13.664 -13.918 -16.821 336 HG22 VAL 44 HG22 VAL 44 -13.485 -15.667 -16.961 337 HG23 VAL 44 HG23 VAL 44 -12.092 -14.668 -16.546 338 H VAL 45 H VAL 45 -16.173 -15.182 -16.982 339 HA VAL 45 HA VAL 45 -16.221 -18.131 -17.099 340 HB VAL 45 HB VAL 45 -17.848 -16.131 -18.690 341 HG11 VAL 45 HG11 VAL 45 -19.028 -18.085 -19.577 342 HG12 VAL 45 HG12 VAL 45 -17.926 -19.147 -18.701 343 HG13 VAL 45 HG13 VAL 45 -17.315 -18.123 -19.999 344 HG21 VAL 45 HG21 VAL 45 -18.592 -16.298 -16.380 345 HG22 VAL 45 HG22 VAL 45 -18.664 -18.055 -16.516 346 HG23 VAL 45 HG23 VAL 45 -19.763 -17.051 -17.462 347 H MET 46 H MET 46 -15.183 -19.146 -18.792 348 HA MET 46 HA MET 46 -13.156 -17.546 -20.075 349 HB2 MET 46 HB3 MET 46 -13.727 -20.503 -20.151 350 HB3 MET 46 HB2 MET 46 -12.394 -19.739 -21.005 351 HG2 MET 46 HG3 MET 46 -12.829 -19.778 -18.033 352 HG3 MET 46 HG2 MET 46 -11.618 -20.688 -18.937 353 HE1 MET 46 HE1 MET 46 -9.682 -19.788 -17.402 354 HE2 MET 46 HE2 MET 46 -10.910 -18.943 -16.455 355 HE3 MET 46 HE3 MET 46 -9.475 -18.079 -17.001 356 H ARG 47 H ARG 47 -13.086 -16.903 -22.103 357 HA ARG 47 HA ARG 47 -15.164 -17.885 -23.937 358 HB2 ARG 47 HB3 ARG 47 -13.744 -15.216 -23.947 359 HB3 ARG 47 HB2 ARG 47 -14.832 -15.766 -25.211 360 HG2 ARG 47 HG3 ARG 47 -16.192 -14.404 -23.949 361 HG3 ARG 47 HG2 ARG 47 -16.554 -15.999 -23.292 362 HD2 ARG 47 HD3 ARG 47 -16.301 -14.537 -21.443 363 HD3 ARG 47 HD2 ARG 47 -14.851 -15.536 -21.505 364 HE ARG 47 HE ARG 47 -14.413 -13.144 -22.939 365 HH11 ARG 47 HH11 ARG 47 -14.725 -14.343 -19.654 366 HH12 ARG 47 HH12 ARG 47 -13.832 -13.019 -18.960 367 HH21 ARG 47 HH21 ARG 47 -13.220 -11.420 -22.009 368 HH22 ARG 47 HH22 ARG 47 -12.979 -11.382 -20.288 369 H ASP 48 H ASP 48 -14.557 -18.337 -26.061 370 HA ASP 48 HA ASP 48 -12.018 -19.499 -26.446 371 HB2 ASP 48 HB3 ASP 48 -14.202 -19.937 -27.736 372 HB3 ASP 48 HB2 ASP 48 -13.792 -18.503 -28.668 373 HA PRO 49 HA PRO 49 -9.597 -15.905 -27.440 374 HB2 PRO 49 HB3 PRO 49 -7.625 -17.066 -28.899 375 HB3 PRO 49 HB2 PRO 49 -7.728 -17.203 -27.139 376 HG2 PRO 49 HG3 PRO 49 -8.609 -19.146 -29.245 377 HG3 PRO 49 HG2 PRO 49 -7.721 -19.458 -27.739 378 HD2 PRO 49 HD3 PRO 49 -10.375 -19.893 -27.966 379 HD3 PRO 49 HD2 PRO 49 -9.636 -19.340 -26.446 380 H ASN 50 H ASN 50 -11.015 -17.959 -29.835 381 HA ASN 50 HA ASN 50 -10.328 -16.077 -31.987 382 HB2 ASN 50 HB3 ASN 50 -11.761 -18.697 -32.368 383 HB3 ASN 50 HB2 ASN 50 -10.814 -17.786 -33.538 384 HD21 ASN 50 HD21 ASN 50 -10.746 -19.925 -30.826 385 HD22 ASN 50 HD22 ASN 50 -9.076 -20.412 -30.993 386 H THR 51 H THR 51 -13.118 -18.002 -30.904 387 HA THR 51 HA THR 51 -14.965 -16.365 -32.342 388 HB THR 51 HB THR 51 -16.686 -17.771 -31.471 389 HG1 THR 51 HG1 THR 51 -15.688 -19.405 -29.765 390 HG21 THR 51 HG21 THR 51 -15.173 -18.863 -33.078 391 HG22 THR 51 HG22 THR 51 -15.842 -20.017 -31.924 392 HG23 THR 51 HG23 THR 51 -14.182 -19.444 -31.736 393 H LYS 52 H LYS 52 -13.714 -16.493 -29.113 394 HA LYS 52 HA LYS 52 -13.866 -15.155 -27.300 395 HB2 LYS 52 HB3 LYS 52 -15.234 -13.212 -29.173 396 HB3 LYS 52 HB2 LYS 52 -14.653 -12.832 -27.558 397 HG2 LYS 52 HG3 LYS 52 -12.960 -13.663 -29.909 398 HG3 LYS 52 HG2 LYS 52 -13.101 -12.037 -29.243 399 HD2 LYS 52 HD3 LYS 52 -12.030 -14.440 -27.764 400 HD3 LYS 52 HD2 LYS 52 -11.043 -13.187 -28.517 401 HE2 LYS 52 HE3 LYS 52 -12.054 -11.515 -27.038 402 HE3 LYS 52 HE2 LYS 52 -13.028 -12.775 -26.284 403 HZ1 LYS 52 HZ1 LYS 52 -11.050 -12.223 -24.985 404 HZ2 LYS 52 HZ2 LYS 52 -10.058 -12.680 -26.279 405 HZ3 LYS 52 HZ3 LYS 52 -11.021 -13.838 -25.500 406 H ARG 53 H ARG 53 -15.972 -17.051 -28.119 407 HA ARG 53 HA ARG 53 -18.159 -15.976 -26.471 408 HB2 ARG 53 HB3 ARG 53 -18.124 -17.915 -28.733 409 HB3 ARG 53 HB2 ARG 53 -19.284 -18.196 -27.441 410 HG2 ARG 53 HG3 ARG 53 -20.333 -16.930 -29.186 411 HG3 ARG 53 HG2 ARG 53 -20.147 -15.905 -27.762 412 HD2 ARG 53 HD3 ARG 53 -17.898 -15.238 -28.936 413 HD3 ARG 53 HD2 ARG 53 -18.734 -15.800 -30.382 414 HE ARG 53 HE ARG 53 -19.936 -13.757 -28.634 415 HH11 ARG 53 HH11 ARG 53 -18.837 -14.827 -31.781 416 HH12 ARG 53 HH12 ARG 53 -19.356 -13.381 -32.595 417 HH21 ARG 53 HH21 ARG 53 -20.596 -11.846 -29.691 418 HH22 ARG 53 HH22 ARG 53 -20.361 -11.692 -31.415 419 H SER 54 H SER 54 -19.220 -17.611 -25.071 420 HA SER 54 HA SER 54 -17.471 -18.451 -23.127 421 HB2 SER 54 HB3 SER 54 -20.158 -19.736 -23.608 422 HB3 SER 54 HB2 SER 54 -19.356 -19.434 -22.065 423 HG SER 54 HG SER 54 -21.115 -17.906 -23.120 424 H ARG 55 H ARG 55 -16.136 -20.106 -22.896 425 HA ARG 55 HA ARG 55 -16.111 -22.200 -24.906 426 HB2 ARG 55 HB3 ARG 55 -14.196 -21.092 -22.967 427 HB3 ARG 55 HB2 ARG 55 -14.066 -22.827 -23.226 428 HG2 ARG 55 HG3 ARG 55 -13.995 -22.314 -25.704 429 HG3 ARG 55 HG2 ARG 55 -13.799 -20.619 -25.245 430 HD2 ARG 55 HD3 ARG 55 -11.724 -21.015 -24.235 431 HD3 ARG 55 HD2 ARG 55 -11.993 -22.756 -24.154 432 HE ARG 55 HE ARG 55 -11.954 -21.807 -26.851 433 HH11 ARG 55 HH11 ARG 55 -9.836 -22.585 -24.156 434 HH12 ARG 55 HH12 ARG 55 -8.541 -23.139 -25.185 435 HH21 ARG 55 HH21 ARG 55 -10.238 -22.515 -28.182 436 HH22 ARG 55 HH22 ARG 55 -8.768 -23.086 -27.455 437 H GLY 56 H GLY 56 -18.064 -21.984 -22.519 438 HA2 GLY 56 HA3 GLY 56 -19.368 -23.610 -21.543 439 HA3 GLY 56 HA2 GLY 56 -18.319 -24.821 -22.261 440 H PHE 57 H PHE 57 -16.758 -22.413 -20.361 441 HA PHE 57 HA PHE 57 -17.169 -23.661 -17.832 442 HB2 PHE 57 HB3 PHE 57 -15.059 -24.645 -17.432 443 HB3 PHE 57 HB2 PHE 57 -15.559 -25.240 -19.008 444 HD1 PHE 57 HD1 PHE 57 -12.969 -23.779 -17.147 445 HD2 PHE 57 HD2 PHE 57 -14.631 -23.919 -21.058 446 HE1 PHE 57 HE1 PHE 57 -10.827 -23.011 -18.081 447 HE2 PHE 57 HE2 PHE 57 -12.492 -23.156 -22.002 448 HZ PHE 57 HZ PHE 57 -10.585 -22.700 -20.511 449 H GLY 58 H GLY 58 -15.755 -22.677 -16.126 450 HA2 GLY 58 HA3 GLY 58 -14.435 -20.198 -16.717 451 HA3 GLY 58 HA2 GLY 58 -16.039 -19.957 -16.036 452 H PHE 59 H PHE 59 -14.757 -18.893 -14.310 453 HA PHE 59 HA PHE 59 -14.027 -20.855 -12.263 454 HB2 PHE 59 HB3 PHE 59 -12.281 -18.601 -13.229 455 HB3 PHE 59 HB2 PHE 59 -12.103 -19.285 -11.619 456 HD1 PHE 59 HD1 PHE 59 -11.170 -21.471 -11.294 457 HD2 PHE 59 HD2 PHE 59 -11.712 -19.896 -15.203 458 HE1 PHE 59 HE1 PHE 59 -9.688 -23.213 -12.196 459 HE2 PHE 59 HE2 PHE 59 -10.233 -21.636 -16.117 460 HZ PHE 59 HZ PHE 59 -9.216 -23.298 -14.612 461 H VAL 60 H VAL 60 -14.016 -19.998 -10.122 462 HA VAL 60 HA VAL 60 -15.298 -17.426 -9.681 463 HB VAL 60 HB VAL 60 -17.297 -18.556 -9.792 464 HG11 VAL 60 HG11 VAL 60 -16.448 -20.781 -10.165 465 HG12 VAL 60 HG12 VAL 60 -17.681 -20.814 -8.904 466 HG13 VAL 60 HG13 VAL 60 -15.975 -20.912 -8.475 467 HG21 VAL 60 HG21 VAL 60 -16.976 -17.453 -7.630 468 HG22 VAL 60 HG22 VAL 60 -16.480 -18.999 -6.935 469 HG23 VAL 60 HG23 VAL 60 -18.121 -18.794 -7.556 470 H THR 61 H THR 61 -14.327 -16.428 -8.001 471 HA THR 61 HA THR 61 -12.857 -18.167 -6.117 472 HB THR 61 HB THR 61 -12.254 -15.251 -6.484 473 HG1 THR 61 HG1 THR 61 -11.755 -15.756 -8.506 474 HG21 THR 61 HG21 THR 61 -11.220 -16.404 -4.603 475 HG22 THR 61 HG22 THR 61 -10.000 -15.973 -5.803 476 HG23 THR 61 HG23 THR 61 -10.578 -17.635 -5.690 477 H TYR 62 H TYR 62 -13.705 -18.263 -4.160 478 HA TYR 62 HA TYR 62 -15.728 -16.340 -3.364 479 HB2 TYR 62 HB3 TYR 62 -14.756 -18.953 -2.227 480 HB3 TYR 62 HB2 TYR 62 -15.828 -17.900 -1.312 481 HD1 TYR 62 HD1 TYR 62 -18.137 -17.773 -1.805 482 HD2 TYR 62 HD2 TYR 62 -15.547 -19.945 -4.383 483 HE1 TYR 62 HE1 TYR 62 -20.091 -18.758 -2.926 484 HE2 TYR 62 HE2 TYR 62 -17.496 -20.930 -5.516 485 HH TYR 62 HH TYR 62 -20.697 -19.788 -4.992 486 H ALA 63 H ALA 63 -15.672 -15.757 -0.921 487 HA ALA 63 HA ALA 63 -13.373 -14.086 -0.581 488 HB1 ALA 63 HB1 ALA 63 -14.459 -13.350 1.476 489 HB2 ALA 63 HB2 ALA 63 -15.622 -14.669 1.347 490 HB3 ALA 63 HB3 ALA 63 -15.611 -13.382 0.140 491 H THR 64 H THR 64 -14.487 -17.122 0.710 492 HA THR 64 HA THR 64 -11.831 -17.628 1.754 493 HB THR 64 HB THR 64 -12.838 -16.741 3.730 494 HG1 THR 64 HG1 THR 64 -12.227 -18.371 4.952 495 HG21 THR 64 HG21 THR 64 -15.186 -16.919 3.024 496 HG22 THR 64 HG22 THR 64 -14.933 -17.539 4.657 497 HG23 THR 64 HG23 THR 64 -15.127 -18.659 3.308 498 H VAL 65 H VAL 65 -11.581 -19.926 2.377 499 HA VAL 65 HA VAL 65 -12.355 -21.514 0.191 500 HB VAL 65 HB VAL 65 -11.288 -23.393 1.437 501 HG11 VAL 65 HG11 VAL 65 -9.980 -21.934 -0.008 502 HG12 VAL 65 HG12 VAL 65 -9.034 -22.431 1.395 503 HG13 VAL 65 HG13 VAL 65 -9.731 -20.812 1.330 504 HG21 VAL 65 HG21 VAL 65 -11.887 -22.731 3.705 505 HG22 VAL 65 HG22 VAL 65 -10.874 -21.294 3.566 506 HG23 VAL 65 HG23 VAL 65 -10.138 -22.897 3.545 507 H GLU 66 H GLU 66 -13.850 -21.061 3.306 508 HA GLU 66 HA GLU 66 -15.247 -23.551 3.297 509 HB2 GLU 66 HB3 GLU 66 -16.528 -22.635 5.178 510 HB3 GLU 66 HB2 GLU 66 -14.796 -22.452 5.399 511 HG2 GLU 66 HG3 GLU 66 -14.971 -20.107 4.713 512 HG3 GLU 66 HG2 GLU 66 -16.716 -20.303 4.545 513 H GLU 67 H GLU 67 -15.788 -20.531 1.772 514 HA GLU 67 HA GLU 67 -18.604 -20.973 1.348 515 HB2 GLU 67 HB3 GLU 67 -16.794 -19.133 -0.209 516 HB3 GLU 67 HB2 GLU 67 -18.543 -19.038 -0.055 517 HG2 GLU 67 HG3 GLU 67 -18.145 -18.682 2.425 518 HG3 GLU 67 HG2 GLU 67 -16.455 -18.424 1.995 519 H VAL 68 H VAL 68 -15.590 -21.485 -0.366 520 HA VAL 68 HA VAL 68 -16.569 -22.548 -2.757 521 HB VAL 68 HB VAL 68 -14.068 -23.124 -1.170 522 HG11 VAL 68 HG11 VAL 68 -14.794 -24.265 -3.870 523 HG12 VAL 68 HG12 VAL 68 -14.616 -25.177 -2.370 524 HG13 VAL 68 HG13 VAL 68 -13.215 -24.385 -3.092 525 HG21 VAL 68 HG21 VAL 68 -14.535 -21.758 -3.813 526 HG22 VAL 68 HG22 VAL 68 -12.982 -21.937 -2.996 527 HG23 VAL 68 HG23 VAL 68 -14.252 -20.948 -2.272 528 H ASP 69 H ASP 69 -15.868 -24.099 0.353 529 HA ASP 69 HA ASP 69 -16.668 -26.692 -0.278 530 HB2 ASP 69 HB3 ASP 69 -15.559 -26.321 1.802 531 HB3 ASP 69 HB2 ASP 69 -16.790 -25.177 2.329 532 H ALA 70 H ALA 70 -18.595 -23.927 0.815 533 HA ALA 70 HA ALA 70 -21.024 -25.287 1.142 534 HB1 ALA 70 HB1 ALA 70 -22.089 -23.098 0.941 535 HB2 ALA 70 HB2 ALA 70 -20.578 -22.418 0.339 536 HB3 ALA 70 HB3 ALA 70 -20.671 -23.035 1.988 537 H ALA 71 H ALA 71 -19.547 -23.805 -1.711 538 HA ALA 71 HA ALA 71 -21.759 -24.315 -3.439 539 HB1 ALA 71 HB1 ALA 71 -18.856 -23.871 -4.120 540 HB2 ALA 71 HB2 ALA 71 -20.083 -22.613 -3.957 541 HB3 ALA 71 HB3 ALA 71 -20.207 -23.806 -5.250 542 H MET 72 H MET 72 -18.925 -26.114 -2.439 543 HA MET 72 HA MET 72 -19.219 -28.210 -4.350 544 HB2 MET 72 HB3 MET 72 -17.800 -28.196 -1.678 545 HB3 MET 72 HB2 MET 72 -17.682 -29.478 -2.870 546 HG2 MET 72 HG3 MET 72 -16.723 -27.814 -4.462 547 HG3 MET 72 HG2 MET 72 -16.719 -26.647 -3.145 548 HE1 MET 72 HE1 MET 72 -14.064 -26.620 -4.143 549 HE2 MET 72 HE2 MET 72 -14.299 -28.105 -5.065 550 HE3 MET 72 HE3 MET 72 -12.977 -27.987 -3.905 551 H ASN 73 H ASN 73 -20.668 -27.487 -1.284 552 HA ASN 73 HA ASN 73 -21.842 -30.104 -0.955 553 HB2 ASN 73 HB3 ASN 73 -22.241 -27.446 0.407 554 HB3 ASN 73 HB2 ASN 73 -23.352 -28.779 0.696 555 HD21 ASN 73 HD21 ASN 73 -20.139 -27.564 1.182 556 HD22 ASN 73 HD22 ASN 73 -19.655 -28.741 2.352 557 H ALA 74 H ALA 74 -22.435 -27.342 -2.799 558 HA ALA 74 HA ALA 74 -25.301 -27.708 -2.991 559 HB1 ALA 74 HB1 ALA 74 -25.245 -25.712 -4.383 560 HB2 ALA 74 HB2 ALA 74 -23.482 -25.748 -4.380 561 HB3 ALA 74 HB3 ALA 74 -24.361 -25.454 -2.876 562 H ARG 75 H ARG 75 -22.591 -29.005 -4.526 563 HA ARG 75 HA ARG 75 -23.766 -29.243 -7.129 564 HB2 ARG 75 HB3 ARG 75 -21.868 -30.703 -7.662 565 HB3 ARG 75 HB2 ARG 75 -21.345 -29.185 -6.952 566 HG2 ARG 75 HG3 ARG 75 -21.028 -30.325 -4.798 567 HG3 ARG 75 HG2 ARG 75 -21.498 -31.849 -5.558 568 HD2 ARG 75 HD3 ARG 75 -19.612 -31.816 -6.993 569 HD3 ARG 75 HD2 ARG 75 -19.236 -30.147 -6.574 570 HE ARG 75 HE ARG 75 -19.105 -31.619 -4.221 571 HH11 ARG 75 HH11 ARG 75 -17.509 -31.628 -7.336 572 HH12 ARG 75 HH12 ARG 75 -15.962 -32.105 -6.695 573 HH21 ARG 75 HH21 ARG 75 -17.055 -32.220 -3.359 574 HH22 ARG 75 HH22 ARG 75 -15.698 -32.406 -4.435 575 HA PRO 76 HA PRO 76 -23.518 -31.140 -8.909 576 HB2 PRO 76 HB3 PRO 76 -26.347 -31.579 -9.663 577 HB3 PRO 76 HB2 PRO 76 -24.876 -32.251 -10.373 578 HG2 PRO 76 HG3 PRO 76 -26.505 -33.749 -8.868 579 HG3 PRO 76 HG2 PRO 76 -24.744 -33.957 -8.822 580 HD2 PRO 76 HD3 PRO 76 -26.545 -32.582 -6.873 581 HD3 PRO 76 HD2 PRO 76 -25.124 -33.601 -6.570 582 H HIS 77 H HIS 77 -23.327 -29.125 -9.553 583 HA HIS 77 HA HIS 77 -24.941 -27.112 -8.282 584 HB2 HIS 77 HB3 HIS 77 -22.359 -27.135 -8.799 585 HB3 HIS 77 HB2 HIS 77 -22.870 -26.483 -10.353 586 HD2 HIS 77 HD2 HIS 77 -22.276 -25.374 -6.742 587 HE1 HIS 77 HE1 HIS 77 -24.006 -22.129 -8.856 588 HE2 HIS 77 HE2 HIS 77 -22.697 -22.811 -6.790 589 H LYS 78 H LYS 78 -25.629 -25.179 -9.652 590 HA LYS 78 HA LYS 78 -26.679 -25.928 -12.256 591 HB2 LYS 78 HB3 LYS 78 -28.382 -26.762 -10.710 592 HB3 LYS 78 HB2 LYS 78 -28.463 -25.192 -9.924 593 HG2 LYS 78 HG3 LYS 78 -30.344 -25.364 -11.348 594 HG3 LYS 78 HG2 LYS 78 -29.221 -24.234 -12.104 595 HD2 LYS 78 HD3 LYS 78 -30.034 -25.640 -13.829 596 HD3 LYS 78 HD2 LYS 78 -28.385 -26.167 -13.487 597 HE2 LYS 78 HE3 LYS 78 -29.170 -28.045 -12.244 598 HE3 LYS 78 HE2 LYS 78 -30.831 -27.454 -12.294 599 HZ1 LYS 78 HZ1 LYS 78 -30.855 -27.782 -14.678 600 HZ2 LYS 78 HZ2 LYS 78 -30.466 -29.233 -13.896 601 HZ3 LYS 78 HZ3 LYS 78 -29.254 -28.332 -14.653 602 H VAL 79 H VAL 79 -25.905 -24.283 -13.397 603 HA VAL 79 HA VAL 79 -26.711 -21.574 -12.601 604 HB VAL 79 HB VAL 79 -24.419 -21.483 -12.067 605 HG11 VAL 79 HG11 VAL 79 -22.635 -22.311 -13.551 606 HG12 VAL 79 HG12 VAL 79 -23.871 -22.992 -14.610 607 HG13 VAL 79 HG13 VAL 79 -23.698 -23.586 -12.957 608 HG21 VAL 79 HG21 VAL 79 -23.403 -20.032 -13.761 609 HG22 VAL 79 HG22 VAL 79 -25.090 -19.610 -13.470 610 HG23 VAL 79 HG23 VAL 79 -24.645 -20.516 -14.917 611 H ASP 80 H ASP 80 -27.689 -20.469 -14.170 612 HA ASP 80 HA ASP 80 -28.712 -19.978 -16.137 613 HB2 ASP 80 HB3 ASP 80 -26.343 -19.801 -16.961 614 HB3 ASP 80 HB2 ASP 80 -26.445 -21.480 -17.470 615 H GLY 81 H GLY 81 -29.073 -22.606 -14.693 616 HA2 GLY 81 HA3 GLY 81 -30.556 -24.363 -14.960 617 HA3 GLY 81 HA2 GLY 81 -30.812 -23.859 -16.621 618 H ARG 82 H ARG 82 -27.551 -24.167 -15.808 619 HA ARG 82 HA ARG 82 -27.434 -26.800 -17.116 620 HB2 ARG 82 HB3 ARG 82 -26.395 -25.101 -18.478 621 HB3 ARG 82 HB2 ARG 82 -25.468 -24.502 -17.110 622 HG2 ARG 82 HG3 ARG 82 -24.049 -25.772 -18.577 623 HG3 ARG 82 HG2 ARG 82 -24.230 -26.618 -17.040 624 HD2 ARG 82 HD3 ARG 82 -25.970 -28.045 -18.091 625 HD3 ARG 82 HD2 ARG 82 -25.637 -27.252 -19.632 626 HE ARG 82 HE ARG 82 -23.198 -28.120 -18.820 627 HH11 ARG 82 HH11 ARG 82 -26.291 -29.696 -19.303 628 HH12 ARG 82 HH12 ARG 82 -25.586 -31.245 -19.654 629 HH21 ARG 82 HH21 ARG 82 -22.276 -30.137 -19.316 630 HH22 ARG 82 HH22 ARG 82 -23.294 -31.497 -19.675 631 H VAL 83 H VAL 83 -26.459 -28.446 -16.094 632 HA VAL 83 HA VAL 83 -25.598 -28.080 -13.357 633 HB VAL 83 HB VAL 83 -25.578 -30.582 -15.063 634 HG11 VAL 83 HG11 VAL 83 -25.310 -30.238 -12.077 635 HG12 VAL 83 HG12 VAL 83 -24.026 -30.716 -13.189 636 HG13 VAL 83 HG13 VAL 83 -25.412 -31.777 -12.931 637 HG21 VAL 83 HG21 VAL 83 -27.598 -29.626 -13.036 638 HG22 VAL 83 HG22 VAL 83 -27.621 -31.185 -13.860 639 HG23 VAL 83 HG23 VAL 83 -27.831 -29.698 -14.784 640 H VAL 84 H VAL 84 -23.581 -27.646 -12.775 641 HA VAL 84 HA VAL 84 -21.431 -28.200 -14.714 642 HB VAL 84 HB VAL 84 -20.240 -26.241 -13.840 643 HG11 VAL 84 HG11 VAL 84 -23.037 -25.674 -14.805 644 HG12 VAL 84 HG12 VAL 84 -21.616 -25.972 -15.806 645 HG13 VAL 84 HG13 VAL 84 -21.708 -24.519 -14.811 646 HG21 VAL 84 HG21 VAL 84 -22.754 -25.750 -12.244 647 HG22 VAL 84 HG22 VAL 84 -21.396 -24.634 -12.393 648 HG23 VAL 84 HG23 VAL 84 -21.177 -26.190 -11.590 649 H GLU 85 H GLU 85 -19.255 -28.328 -13.703 650 HA GLU 85 HA GLU 85 -19.397 -29.729 -11.117 651 HB2 GLU 85 HB3 GLU 85 -17.496 -30.024 -13.436 652 HB3 GLU 85 HB2 GLU 85 -17.136 -30.667 -11.841 653 HG2 GLU 85 HG3 GLU 85 -19.140 -32.054 -11.950 654 HG3 GLU 85 HG2 GLU 85 -19.496 -31.407 -13.551 655 HA PRO 86 HA PRO 86 -16.811 -26.264 -9.907 656 HB2 PRO 86 HB3 PRO 86 -17.858 -26.157 -7.362 657 HB3 PRO 86 HB2 PRO 86 -18.526 -25.320 -8.766 658 HG2 PRO 86 HG3 PRO 86 -19.672 -27.501 -7.284 659 HG3 PRO 86 HG2 PRO 86 -20.366 -26.620 -8.651 660 HD2 PRO 86 HD3 PRO 86 -18.977 -29.224 -8.604 661 HD3 PRO 86 HD2 PRO 86 -20.104 -28.566 -9.809 662 H LYS 87 H LYS 87 -14.813 -27.122 -9.745 663 HA LYS 87 HA LYS 87 -14.247 -28.867 -7.434 664 HB2 LYS 87 HB3 LYS 87 -13.097 -29.053 -10.230 665 HB3 LYS 87 HB2 LYS 87 -12.605 -30.048 -8.864 666 HG2 LYS 87 HG3 LYS 87 -14.787 -31.045 -8.735 667 HG3 LYS 87 HG2 LYS 87 -15.402 -29.952 -9.970 668 HD2 LYS 87 HD3 LYS 87 -13.201 -31.958 -10.433 669 HD3 LYS 87 HD2 LYS 87 -14.904 -32.261 -10.778 670 HE2 LYS 87 HE3 LYS 87 -14.820 -30.181 -12.237 671 HE3 LYS 87 HE2 LYS 87 -13.066 -30.259 -12.069 672 HZ1 LYS 87 HZ1 LYS 87 -14.842 -32.314 -13.270 673 HZ2 LYS 87 HZ2 LYS 87 -13.195 -32.563 -12.952 674 HZ3 LYS 87 HZ3 LYS 87 -13.671 -31.379 -14.069 675 H ARG 88 H ARG 88 -12.152 -28.666 -6.508 676 HA ARG 88 HA ARG 88 -11.312 -26.035 -6.116 677 HB2 ARG 88 HB3 ARG 88 -10.782 -28.422 -4.927 678 HB3 ARG 88 HB2 ARG 88 -9.251 -28.120 -5.737 679 HG2 ARG 88 HG3 ARG 88 -9.067 -27.257 -3.540 680 HG3 ARG 88 HG2 ARG 88 -9.214 -25.873 -4.625 681 HD2 ARG 88 HD3 ARG 88 -11.510 -25.577 -4.056 682 HD3 ARG 88 HD2 ARG 88 -11.548 -27.097 -3.167 683 HE ARG 88 HE ARG 88 -10.077 -24.679 -2.316 684 HH11 ARG 88 HH11 ARG 88 -11.775 -27.658 -1.580 685 HH12 ARG 88 HH12 ARG 88 -11.749 -27.401 0.136 686 HH21 ARG 88 HH21 ARG 88 -10.046 -24.345 -0.052 687 HH22 ARG 88 HH22 ARG 88 -10.770 -25.522 1.008 688 H ALA 89 H ALA 89 -9.936 -24.697 -7.138 689 HA ALA 89 HA ALA 89 -9.035 -25.406 -9.747 690 HB1 ALA 89 HB1 ALA 89 -9.842 -23.158 -9.212 691 HB2 ALA 89 HB2 ALA 89 -8.213 -23.129 -9.888 692 HB3 ALA 89 HB3 ALA 89 -8.452 -22.916 -8.154 693 H VAL 90 H VAL 90 -6.896 -25.177 -10.533 694 HA VAL 90 HA VAL 90 -4.833 -25.996 -8.608 695 HB VAL 90 HB VAL 90 -5.463 -27.725 -10.278 696 HG11 VAL 90 HG11 VAL 90 -4.452 -25.738 -12.300 697 HG12 VAL 90 HG12 VAL 90 -6.114 -26.300 -12.114 698 HG13 VAL 90 HG13 VAL 90 -4.856 -27.422 -12.634 699 HG21 VAL 90 HG21 VAL 90 -3.203 -28.265 -11.063 700 HG22 VAL 90 HG22 VAL 90 -3.218 -27.761 -9.374 701 HG23 VAL 90 HG23 VAL 90 -2.673 -26.642 -10.623 702 H SER 91 H SER 91 -2.596 -25.236 -9.198 703 HA SER 91 HA SER 91 -2.516 -22.471 -9.598 704 HB2 SER 91 HB3 SER 91 -0.268 -24.438 -10.078 705 HB3 SER 91 HB2 SER 91 -0.103 -22.717 -9.732 706 HG SER 91 HG SER 91 -0.103 -23.260 -7.717 707 H ARG 92 H ARG 92 -2.393 -21.198 -11.358 708 HA ARG 92 HA ARG 92 -3.012 -22.265 -13.910 709 HB2 ARG 92 HB3 ARG 92 -3.019 -20.034 -14.696 710 HB3 ARG 92 HB2 ARG 92 -3.551 -19.922 -13.026 711 HG2 ARG 92 HG3 ARG 92 -1.035 -19.461 -12.544 712 HG3 ARG 92 HG2 ARG 92 -0.983 -19.054 -14.260 713 HD2 ARG 92 HD3 ARG 92 -1.378 -17.056 -12.978 714 HD3 ARG 92 HD2 ARG 92 -2.825 -17.457 -13.903 715 HE ARG 92 HE ARG 92 -3.281 -18.641 -11.518 716 HH11 ARG 92 HH11 ARG 92 -2.364 -15.386 -12.422 717 HH12 ARG 92 HH12 ARG 92 -3.157 -14.655 -11.058 718 HH21 ARG 92 HH21 ARG 92 -4.315 -17.698 -9.749 719 HH22 ARG 92 HH22 ARG 92 -4.288 -15.969 -9.540 720 H GLU 93 H GLU 93 -0.063 -21.362 -12.294 721 HA GLU 93 HA GLU 93 1.703 -21.468 -14.487 722 HB2 GLU 93 HB3 GLU 93 2.170 -22.050 -11.554 723 HB3 GLU 93 HB2 GLU 93 3.451 -21.895 -12.744 724 HG2 GLU 93 HG3 GLU 93 3.360 -19.847 -11.601 725 HG3 GLU 93 HG2 GLU 93 2.621 -19.560 -13.172 726 H ASP 94 H ASP 94 0.581 -23.904 -12.199 727 HA ASP 94 HA ASP 94 2.229 -26.019 -13.016 728 HB2 ASP 94 HB3 ASP 94 -0.384 -25.861 -11.557 729 HB3 ASP 94 HB2 ASP 94 0.242 -27.428 -12.054 730 H SER 95 H SER 95 -0.981 -25.023 -14.120 731 HA SER 95 HA SER 95 -1.285 -27.259 -15.872 732 HB2 SER 95 HB3 SER 95 -2.759 -24.623 -15.761 733 HB3 SER 95 HB2 SER 95 -3.233 -25.999 -16.757 734 HG SER 95 HG SER 95 -2.921 -26.986 -14.363 735 H GLN 96 H GLN 96 0.066 -24.051 -16.186 736 HA GLN 96 HA GLN 96 0.237 -24.244 -19.064 737 HB2 GLN 96 HB3 GLN 96 1.327 -22.221 -17.107 738 HB3 GLN 96 HB2 GLN 96 1.583 -22.126 -18.843 739 HG2 GLN 96 HG3 GLN 96 -1.087 -22.092 -17.456 740 HG3 GLN 96 HG2 GLN 96 -0.243 -20.690 -18.112 741 HE21 GLN 96 HE21 GLN 96 -0.079 -20.447 -20.341 742 HE22 GLN 96 HE22 GLN 96 -1.125 -21.293 -21.430 743 H ARG 97 H ARG 97 1.352 -26.335 -18.906 744 HA ARG 97 HA ARG 97 4.230 -26.047 -18.391 745 HB2 ARG 97 HB3 ARG 97 3.086 -27.884 -17.192 746 HB3 ARG 97 HB2 ARG 97 2.580 -28.563 -18.732 747 HG2 ARG 97 HG3 ARG 97 4.411 -29.851 -18.235 748 HG3 ARG 97 HG2 ARG 97 5.124 -28.603 -19.254 749 HD2 ARG 97 HD3 ARG 97 5.192 -28.756 -16.243 750 HD3 ARG 97 HD2 ARG 97 6.545 -28.983 -17.345 751 HE ARG 97 HE ARG 97 5.194 -26.423 -16.775 752 HH11 ARG 97 HH11 ARG 97 7.946 -28.224 -18.010 753 HH12 ARG 97 HH12 ARG 97 8.966 -26.821 -18.140 754 HH21 ARG 97 HH21 ARG 97 6.525 -24.578 -16.968 755 HH22 ARG 97 HH22 ARG 97 8.151 -24.746 -17.576 756 H5' U 1 H5' U 1 -18.334 -29.469 -21.971 757 H5'' U 1 H5'' U 1 -16.921 -30.334 -21.347 758 H4' U 1 H4' U 1 -15.705 -29.792 -23.092 759 H3' U 1 H3' U 1 -15.612 -27.333 -22.047 760 H2' U 1 H2' U 1 -17.347 -26.117 -22.996 761 HO2' U 1 HO2' U 1 -15.547 -25.646 -24.485 762 H1' U 1 H1' U 1 -18.131 -27.620 -25.334 763 H3 U 1 H3 U 1 -22.367 -28.399 -24.023 764 H5 U 1 H5 U 1 -20.534 -26.766 -20.619 765 H6 U 1 H6 U 1 -18.434 -26.880 -21.785 766 HO5' U 1 HO5' U 1 -16.155 -28.153 -20.719 767 H5' U 2 H5' U 2 -15.030 -27.101 -20.233 768 H5'' U 2 H5'' U 2 -13.814 -26.033 -20.957 769 H4' U 2 H4' U 2 -12.570 -26.212 -19.164 770 H3' U 2 H3' U 2 -11.756 -28.484 -20.318 771 H2' U 2 H2' U 2 -13.417 -29.958 -19.378 772 HO2' U 2 HO2' U 2 -12.256 -30.453 -17.100 773 H1' U 2 H1' U 2 -13.139 -28.540 -16.676 774 H3 U 2 H3 U 2 -16.449 -30.926 -14.895 775 H5 U 2 H5 U 2 -17.813 -30.249 -18.802 776 H6 U 2 H6 U 2 -15.726 -29.147 -19.262 777 H5' A 3 H5' A 3 -10.469 -25.799 -18.402 778 H5'' A 3 H5'' A 3 -9.996 -24.838 -19.814 779 H4' A 3 H4' A 3 -8.865 -23.608 -18.347 780 H3' A 3 H3' A 3 -6.987 -25.114 -19.454 781 H2' A 3 H2' A 3 -7.336 -27.006 -17.895 782 HO2' A 3 HO2' A 3 -5.456 -26.195 -16.218 783 H1' A 3 H1' A 3 -7.152 -24.813 -15.731 784 H8 A 3 H8 A 3 -8.069 -28.453 -16.498 785 H61 A 3 H61 A 3 -9.108 -29.796 -11.935 786 H62 A 3 H62 A 3 -9.266 -28.910 -10.436 787 H2 A 3 H2 A 3 -8.477 -24.598 -11.389 788 H5' G 4 H5' G 4 -8.005 -22.675 -19.003 789 H5'' G 4 H5'' G 4 -8.254 -21.897 -20.577 790 H4' G 4 H4' G 4 -8.322 -19.954 -19.580 791 H3' G 4 H3' G 4 -5.537 -20.333 -19.654 792 H2' G 4 H2' G 4 -5.307 -20.634 -17.282 793 HO2' G 4 HO2' G 4 -4.953 -18.604 -16.323 794 H1' G 4 H1' G 4 -7.780 -18.808 -17.086 795 H8 G 4 H8 G 4 -8.216 -18.272 -14.663 796 H1 G 4 H1 G 4 -5.800 -23.869 -12.679 797 H21 G 4 H21 G 4 -5.168 -24.425 -16.047 798 H22 G 4 H22 G 4 -5.049 -25.024 -14.408 799 H5' G 5 H5' G 5 -5.757 -15.475 -17.643 800 H5'' G 5 H5'' G 5 -6.480 -17.066 -17.952 801 H4' G 5 H4' G 5 -7.462 -15.354 -19.946 802 H3' G 5 H3' G 5 -7.141 -13.864 -17.399 803 H2' G 5 H2' G 5 -9.429 -13.216 -17.318 804 HO2' G 5 HO2' G 5 -9.587 -12.859 -19.655 805 H1' G 5 H1' G 5 -10.523 -15.666 -17.790 806 H8 G 5 H8 G 5 -8.006 -17.331 -16.205 807 H1 G 5 H1 G 5 -10.224 -12.957 -12.085 808 H21 G 5 H21 G 5 -11.586 -11.463 -14.906 809 H22 G 5 H22 G 5 -11.375 -11.415 -13.169 810 H5' U 6 H5' U 6 -7.905 -13.064 -16.214 811 H5'' U 6 H5'' U 6 -8.568 -11.443 -16.500 812 H4' U 6 H4' U 6 -7.950 -10.799 -14.504 813 H3' U 6 H3' U 6 -5.564 -10.457 -15.614 814 H2' U 6 H2' U 6 -4.696 -12.681 -15.372 815 HO2' U 6 HO2' U 6 -4.190 -11.504 -12.821 816 H1' U 6 H1' U 6 -5.814 -12.942 -12.551 817 H3 U 6 H3 U 6 -5.751 -17.385 -12.377 818 H5 U 6 H5 U 6 -5.011 -16.599 -16.431 819 H6 U 6 H6 U 6 -5.355 -14.268 -15.965 820 H5' C 7 H5' C 7 -6.426 -8.586 -17.260 821 H5'' C 7 H5'' C 7 -5.860 -9.956 -16.285 822 H4' C 7 H4' C 7 -4.002 -7.700 -16.902 823 H3' C 7 H3' C 7 -4.839 -9.784 -18.904 824 HO3' C 7 HO3' C 7 -3.677 -7.382 -19.534 825 H2' C 7 H2' C 7 -2.550 -9.998 -19.579 826 HO2' C 7 HO2' C 7 -2.146 -7.657 -17.994 827 H1' C 7 H1' C 7 -1.482 -9.949 -16.983 828 H41 C 7 H41 C 7 -3.693 -16.092 -17.967 829 H42 C 7 H42 C 7 -1.981 -16.126 -18.327 830 H5 C 7 H5 C 7 -4.885 -14.052 -17.438 831 H6 C 7 H6 C 7 -4.679 -11.640 -17.147 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -7.422 -20.187 16.441 2 H2 ALA 1 H2 ALA 1 -7.108 -21.802 16.839 3 H3 ALA 1 H3 ALA 1 -7.274 -20.643 18.068 4 HA ALA 1 HA ALA 1 -9.252 -22.010 17.887 5 HB1 ALA 1 HB1 ALA 1 -9.666 -19.162 16.976 6 HB2 ALA 1 HB2 ALA 1 -9.451 -19.691 18.645 7 HB3 ALA 1 HB3 ALA 1 -10.877 -20.195 17.737 8 H SER 2 H SER 2 -11.134 -22.592 16.637 9 HA SER 2 HA SER 2 -10.515 -23.285 13.963 10 HB2 SER 2 HB3 SER 2 -13.217 -23.281 15.330 11 HB3 SER 2 HB2 SER 2 -12.790 -24.164 13.863 12 HG SER 2 HG SER 2 -12.397 -24.839 16.460 13 H LYS 3 H LYS 3 -12.772 -20.897 15.349 14 HA LYS 3 HA LYS 3 -12.967 -19.707 12.676 15 HB2 LYS 3 HB3 LYS 3 -14.817 -19.665 15.032 16 HB3 LYS 3 HB2 LYS 3 -14.916 -18.415 13.797 17 HG2 LYS 3 HG3 LYS 3 -15.171 -21.379 13.325 18 HG3 LYS 3 HG2 LYS 3 -16.496 -20.212 13.359 19 HD2 LYS 3 HD3 LYS 3 -15.531 -19.045 11.446 20 HD3 LYS 3 HD2 LYS 3 -14.179 -20.177 11.426 21 HE2 LYS 3 HE3 LYS 3 -15.745 -22.015 10.973 22 HE3 LYS 3 HE2 LYS 3 -17.081 -20.862 10.963 23 HZ1 LYS 3 HZ1 LYS 3 -16.197 -19.805 9.041 24 HZ2 LYS 3 HZ2 LYS 3 -16.202 -21.472 8.724 25 HZ3 LYS 3 HZ3 LYS 3 -14.754 -20.689 9.128 26 H SER 4 H SER 4 -10.827 -18.856 13.039 27 HA SER 4 HA SER 4 -10.905 -16.279 14.443 28 HB2 SER 4 HB3 SER 4 -8.886 -17.597 14.856 29 HB3 SER 4 HB2 SER 4 -8.633 -17.804 13.125 30 HG SER 4 HG SER 4 -8.144 -15.603 14.765 31 H GLU 5 H GLU 5 -10.808 -14.349 13.223 32 HA GLU 5 HA GLU 5 -12.061 -14.424 10.743 33 HB2 GLU 5 HB3 GLU 5 -11.361 -12.025 10.502 34 HB3 GLU 5 HB2 GLU 5 -12.200 -12.410 11.992 35 HG2 GLU 5 HG3 GLU 5 -10.566 -11.159 12.886 36 HG3 GLU 5 HG2 GLU 5 -9.679 -12.681 12.839 37 H SER 6 H SER 6 -11.353 -15.387 9.014 38 HA SER 6 HA SER 6 -8.630 -14.822 8.097 39 HB2 SER 6 HB3 SER 6 -9.779 -17.619 8.172 40 HB3 SER 6 HB2 SER 6 -8.157 -17.150 7.662 41 HG SER 6 HG SER 6 -9.247 -16.874 10.275 42 HA PRO 7 HA PRO 7 -10.991 -14.860 4.258 43 HB2 PRO 7 HB3 PRO 7 -10.584 -12.216 3.663 44 HB3 PRO 7 HB2 PRO 7 -11.993 -12.810 4.546 45 HG2 PRO 7 HG3 PRO 7 -9.834 -11.163 5.514 46 HG3 PRO 7 HG2 PRO 7 -11.297 -11.672 6.367 47 HD2 PRO 7 HD3 PRO 7 -8.572 -12.791 6.483 48 HD3 PRO 7 HD2 PRO 7 -9.904 -12.940 7.649 49 H LYS 8 H LYS 8 -8.282 -15.579 5.012 50 HA LYS 8 HA LYS 8 -6.768 -14.515 2.741 51 HB2 LYS 8 HB3 LYS 8 -6.205 -13.376 4.952 52 HB3 LYS 8 HB2 LYS 8 -5.536 -14.913 5.469 53 HG2 LYS 8 HG3 LYS 8 -4.599 -13.619 2.939 54 HG3 LYS 8 HG2 LYS 8 -3.972 -13.101 4.501 55 HD2 LYS 8 HD3 LYS 8 -3.889 -15.926 3.446 56 HD3 LYS 8 HD2 LYS 8 -2.542 -14.788 3.400 57 HE2 LYS 8 HE3 LYS 8 -2.588 -14.655 5.853 58 HE3 LYS 8 HE2 LYS 8 -3.917 -15.814 5.884 59 HZ1 LYS 8 HZ1 LYS 8 -2.444 -17.432 4.807 60 HZ2 LYS 8 HZ2 LYS 8 -1.846 -16.929 6.312 61 HZ3 LYS 8 HZ3 LYS 8 -1.167 -16.319 4.884 62 H GLU 9 H GLU 9 -7.127 -16.411 1.665 63 HA GLU 9 HA GLU 9 -5.359 -18.588 2.522 64 HB2 GLU 9 HB3 GLU 9 -8.082 -18.917 1.234 65 HB3 GLU 9 HB2 GLU 9 -6.908 -20.210 1.398 66 HG2 GLU 9 HG3 GLU 9 -8.179 -20.670 3.199 67 HG3 GLU 9 HG2 GLU 9 -7.077 -19.523 3.953 68 HA PRO 10 HA PRO 10 -3.448 -18.349 -1.504 69 HB2 PRO 10 HB3 PRO 10 -4.227 -21.209 -1.825 70 HB3 PRO 10 HB2 PRO 10 -2.655 -20.440 -2.058 71 HG2 PRO 10 HG3 PRO 10 -3.204 -21.909 0.118 72 HG3 PRO 10 HG2 PRO 10 -2.151 -20.484 0.190 73 HD2 PRO 10 HD3 PRO 10 -4.918 -20.843 1.177 74 HD3 PRO 10 HD2 PRO 10 -3.650 -19.739 1.743 75 H GLU 11 H GLU 11 -4.176 -17.745 -3.456 76 HA GLU 11 HA GLU 11 -6.832 -17.594 -4.216 77 HB2 GLU 11 HB3 GLU 11 -5.071 -16.304 -5.301 78 HB3 GLU 11 HB2 GLU 11 -4.339 -17.770 -5.930 79 HG2 GLU 11 HG3 GLU 11 -5.445 -16.880 -7.755 80 HG3 GLU 11 HG2 GLU 11 -6.555 -18.115 -7.167 81 H GLN 12 H GLN 12 -4.444 -20.072 -4.816 82 HA GLN 12 HA GLN 12 -5.622 -21.708 -6.646 83 HB2 GLN 12 HB3 GLN 12 -3.405 -22.114 -5.823 84 HB3 GLN 12 HB2 GLN 12 -4.006 -22.401 -4.197 85 HG2 GLN 12 HG3 GLN 12 -5.156 -24.417 -5.007 86 HG3 GLN 12 HG2 GLN 12 -4.465 -24.144 -6.605 87 HE21 GLN 12 HE21 GLN 12 -3.325 -26.063 -6.590 88 HE22 GLN 12 HE22 GLN 12 -1.932 -26.310 -5.599 89 H LEU 13 H LEU 13 -6.018 -22.107 -3.098 90 HA LEU 13 HA LEU 13 -7.971 -24.170 -3.676 91 HB2 LEU 13 HB3 LEU 13 -7.470 -25.078 -1.686 92 HB3 LEU 13 HB2 LEU 13 -6.034 -24.086 -1.837 93 HG LEU 13 HG LEU 13 -8.489 -23.223 -0.310 94 HD11 LEU 13 HD11 LEU 13 -7.250 -23.825 1.707 95 HD12 LEU 13 HD12 LEU 13 -5.960 -24.504 0.714 96 HD13 LEU 13 HD13 LEU 13 -7.564 -25.238 0.697 97 HD21 LEU 13 HD21 LEU 13 -6.959 -21.613 0.695 98 HD22 LEU 13 HD22 LEU 13 -7.042 -21.411 -1.055 99 HD23 LEU 13 HD23 LEU 13 -5.651 -22.212 -0.327 100 H ARG 14 H ARG 14 -8.127 -20.900 -3.325 101 HA ARG 14 HA ARG 14 -10.810 -20.995 -2.150 102 HB2 ARG 14 HB3 ARG 14 -9.005 -18.675 -2.813 103 HB3 ARG 14 HB2 ARG 14 -10.698 -18.467 -2.386 104 HG2 ARG 14 HG3 ARG 14 -10.124 -19.790 -0.272 105 HG3 ARG 14 HG2 ARG 14 -8.444 -19.444 -0.688 106 HD2 ARG 14 HD3 ARG 14 -10.600 -17.367 -0.364 107 HD3 ARG 14 HD2 ARG 14 -9.437 -17.804 0.884 108 HE ARG 14 HE ARG 14 -7.952 -17.118 -1.336 109 HH11 ARG 14 HH11 ARG 14 -10.286 -15.547 0.751 110 HH12 ARG 14 HH12 ARG 14 -9.596 -13.966 0.537 111 HH21 ARG 14 HH21 ARG 14 -7.049 -15.032 -1.616 112 HH22 ARG 14 HH22 ARG 14 -7.777 -13.678 -0.796 113 H LYS 15 H LYS 15 -9.221 -20.971 -5.131 114 HA LYS 15 HA LYS 15 -11.499 -19.872 -6.556 115 HB2 LYS 15 HB3 LYS 15 -9.114 -19.452 -7.286 116 HB3 LYS 15 HB2 LYS 15 -9.030 -21.147 -7.743 117 HG2 LYS 15 HG3 LYS 15 -10.892 -20.797 -9.313 118 HG3 LYS 15 HG2 LYS 15 -10.916 -19.088 -8.879 119 HD2 LYS 15 HD3 LYS 15 -8.578 -20.551 -10.106 120 HD3 LYS 15 HD2 LYS 15 -9.700 -19.507 -10.978 121 HE2 LYS 15 HE3 LYS 15 -7.923 -18.642 -8.704 122 HE3 LYS 15 HE2 LYS 15 -7.585 -18.382 -10.411 123 HZ1 LYS 15 HZ1 LYS 15 -9.436 -16.932 -10.592 124 HZ2 LYS 15 HZ2 LYS 15 -8.583 -16.451 -9.212 125 HZ3 LYS 15 HZ3 LYS 15 -10.012 -17.341 -9.053 126 H LEU 16 H LEU 16 -12.898 -21.014 -7.740 127 HA LEU 16 HA LEU 16 -12.888 -23.933 -7.379 128 HB2 LEU 16 HB3 LEU 16 -14.751 -22.181 -6.577 129 HB3 LEU 16 HB2 LEU 16 -15.298 -22.412 -8.223 130 HG LEU 16 HG LEU 16 -15.663 -24.758 -7.855 131 HD11 LEU 16 HD11 LEU 16 -15.301 -25.745 -5.619 132 HD12 LEU 16 HD12 LEU 16 -14.485 -24.260 -5.128 133 HD13 LEU 16 HD13 LEU 16 -13.802 -25.260 -6.407 134 HD21 LEU 16 HD21 LEU 16 -17.405 -24.644 -6.145 135 HD22 LEU 16 HD22 LEU 16 -17.440 -23.220 -7.186 136 HD23 LEU 16 HD23 LEU 16 -16.745 -23.113 -5.568 137 H PHE 17 H PHE 17 -12.740 -25.173 -9.142 138 HA PHE 17 HA PHE 17 -12.578 -23.939 -11.765 139 HB2 PHE 17 HB3 PHE 17 -10.975 -25.708 -11.093 140 HB3 PHE 17 HB2 PHE 17 -12.308 -26.828 -10.911 141 HD1 PHE 17 HD1 PHE 17 -12.188 -28.434 -12.531 142 HD2 PHE 17 HD2 PHE 17 -11.439 -24.387 -13.588 143 HE1 PHE 17 HE1 PHE 17 -11.980 -29.095 -14.883 144 HE2 PHE 17 HE2 PHE 17 -11.227 -25.038 -15.947 145 HZ PHE 17 HZ PHE 17 -11.490 -27.393 -16.603 146 H ILE 18 H ILE 18 -14.379 -23.602 -12.893 147 HA ILE 18 HA ILE 18 -16.694 -25.338 -12.355 148 HB ILE 18 HB ILE 18 -16.758 -22.628 -13.678 149 HG12 ILE 18 HG12 ILE 18 -15.902 -22.249 -11.471 150 HG13 ILE 18 HG13 ILE 18 -17.608 -21.814 -11.455 151 HG21 ILE 18 HG21 ILE 18 -19.139 -22.713 -13.085 152 HG22 ILE 18 HG22 ILE 18 -18.905 -24.329 -12.418 153 HG23 ILE 18 HG23 ILE 18 -18.671 -24.045 -14.142 154 HD11 ILE 18 HD11 ILE 18 -18.129 -23.978 -10.426 155 HD12 ILE 18 HD12 ILE 18 -17.018 -23.015 -9.448 156 HD13 ILE 18 HD13 ILE 18 -16.407 -24.364 -10.405 157 H GLY 19 H GLY 19 -16.473 -26.970 -13.803 158 HA2 GLY 19 HA3 GLY 19 -16.201 -26.162 -16.629 159 HA3 GLY 19 HA2 GLY 19 -15.590 -27.681 -15.990 160 H GLY 20 H GLY 20 -17.542 -27.065 -18.147 161 HA2 GLY 20 HA3 GLY 20 -19.208 -28.564 -18.904 162 HA3 GLY 20 HA2 GLY 20 -19.564 -28.976 -17.233 163 H LEU 21 H LEU 21 -19.303 -25.736 -18.606 164 HA LEU 21 HA LEU 21 -22.154 -25.376 -18.005 165 HB2 LEU 21 HB3 LEU 21 -21.581 -22.918 -17.865 166 HB3 LEU 21 HB2 LEU 21 -20.981 -23.936 -16.574 167 HG LEU 21 HG LEU 21 -18.784 -23.970 -17.999 168 HD11 LEU 21 HD11 LEU 21 -19.995 -21.371 -18.905 169 HD12 LEU 21 HD12 LEU 21 -19.808 -22.795 -19.925 170 HD13 LEU 21 HD13 LEU 21 -18.384 -21.981 -19.275 171 HD21 LEU 21 HD21 LEU 21 -18.991 -23.039 -15.763 172 HD22 LEU 21 HD22 LEU 21 -19.675 -21.557 -16.430 173 HD23 LEU 21 HD23 LEU 21 -18.006 -21.995 -16.787 174 H SER 22 H SER 22 -23.100 -23.489 -19.363 175 HA SER 22 HA SER 22 -22.913 -24.466 -22.072 176 HB2 SER 22 HB3 SER 22 -24.874 -22.962 -22.434 177 HB3 SER 22 HB2 SER 22 -25.109 -24.094 -21.101 178 HG SER 22 HG SER 22 -25.756 -22.007 -20.479 179 H PHE 23 H PHE 23 -23.018 -22.819 -23.890 180 HA PHE 23 HA PHE 23 -20.863 -20.910 -23.601 181 HB2 PHE 23 HB3 PHE 23 -22.654 -21.476 -25.975 182 HB3 PHE 23 HB2 PHE 23 -21.189 -20.496 -26.001 183 HD1 PHE 23 HD1 PHE 23 -22.547 -23.772 -26.325 184 HD2 PHE 23 HD2 PHE 23 -18.993 -21.631 -25.381 185 HE1 PHE 23 HE1 PHE 23 -21.217 -25.792 -26.772 186 HE2 PHE 23 HE2 PHE 23 -17.655 -23.647 -25.829 187 HZ PHE 23 HZ PHE 23 -18.770 -25.732 -26.522 188 H GLU 24 H GLU 24 -23.929 -20.964 -22.741 189 HA GLU 24 HA GLU 24 -24.580 -18.190 -23.369 190 HB2 GLU 24 HB3 GLU 24 -26.241 -20.237 -21.893 191 HB3 GLU 24 HB2 GLU 24 -26.801 -18.773 -22.701 192 HG2 GLU 24 HG3 GLU 24 -26.369 -19.680 -24.841 193 HG3 GLU 24 HG2 GLU 24 -25.463 -21.023 -24.165 194 H THR 25 H THR 25 -23.125 -20.094 -21.039 195 HA THR 25 HA THR 25 -23.768 -18.556 -18.714 196 HB THR 25 HB THR 25 -21.428 -20.421 -19.200 197 HG1 THR 25 HG1 THR 25 -23.823 -21.166 -19.280 198 HG21 THR 25 HG21 THR 25 -22.653 -19.409 -16.626 199 HG22 THR 25 HG22 THR 25 -21.089 -18.929 -17.287 200 HG23 THR 25 HG23 THR 25 -21.348 -20.589 -16.753 201 H THR 26 H THR 26 -23.308 -16.410 -19.043 202 HA THR 26 HA THR 26 -20.642 -15.676 -19.955 203 HB THR 26 HB THR 26 -22.454 -14.462 -21.002 204 HG1 THR 26 HG1 THR 26 -21.827 -12.247 -20.189 205 HG21 THR 26 HG21 THR 26 -23.204 -13.558 -18.225 206 HG22 THR 26 HG22 THR 26 -24.132 -14.651 -19.253 207 HG23 THR 26 HG23 THR 26 -23.916 -12.965 -19.726 208 H ASP 27 H ASP 27 -19.618 -13.801 -18.760 209 HA ASP 27 HA ASP 27 -18.671 -14.704 -16.346 210 HB2 ASP 27 HB3 ASP 27 -17.538 -13.038 -17.722 211 HB3 ASP 27 HB2 ASP 27 -18.783 -11.853 -17.346 212 H GLU 28 H GLU 28 -21.097 -12.159 -16.837 213 HA GLU 28 HA GLU 28 -21.523 -11.614 -14.117 214 HB2 GLU 28 HB3 GLU 28 -23.587 -10.503 -14.863 215 HB3 GLU 28 HB2 GLU 28 -22.200 -10.069 -15.850 216 HG2 GLU 28 HG3 GLU 28 -22.926 -11.605 -17.582 217 HG3 GLU 28 HG2 GLU 28 -24.303 -12.084 -16.590 218 H SER 29 H SER 29 -23.028 -13.960 -16.290 219 HA SER 29 HA SER 29 -25.092 -14.681 -14.458 220 HB2 SER 29 HB3 SER 29 -23.963 -16.275 -16.773 221 HB3 SER 29 HB2 SER 29 -25.508 -16.553 -15.966 222 HG SER 29 HG SER 29 -26.254 -14.595 -16.750 223 H LEU 30 H LEU 30 -21.812 -15.740 -15.086 224 HA LEU 30 HA LEU 30 -21.887 -18.176 -13.673 225 HB2 LEU 30 HB3 LEU 30 -20.031 -17.500 -15.168 226 HB3 LEU 30 HB2 LEU 30 -19.548 -16.292 -13.991 227 HG LEU 30 HG LEU 30 -19.230 -18.194 -12.345 228 HD11 LEU 30 HD11 LEU 30 -20.560 -19.869 -13.502 229 HD12 LEU 30 HD12 LEU 30 -18.900 -20.423 -13.285 230 HD13 LEU 30 HD13 LEU 30 -19.435 -19.840 -14.860 231 HD21 LEU 30 HD21 LEU 30 -17.359 -17.074 -13.433 232 HD22 LEU 30 HD22 LEU 30 -17.500 -18.165 -14.813 233 HD23 LEU 30 HD23 LEU 30 -17.041 -18.797 -13.232 234 H ARG 31 H ARG 31 -20.814 -14.942 -12.625 235 HA ARG 31 HA ARG 31 -20.315 -15.742 -9.972 236 HB2 ARG 31 HB3 ARG 31 -19.711 -13.585 -9.565 237 HB3 ARG 31 HB2 ARG 31 -19.674 -13.531 -11.322 238 HG2 ARG 31 HG3 ARG 31 -21.989 -12.615 -11.272 239 HG3 ARG 31 HG2 ARG 31 -21.861 -12.547 -9.510 240 HD2 ARG 31 HD3 ARG 31 -19.956 -11.047 -9.691 241 HD3 ARG 31 HD2 ARG 31 -20.037 -11.131 -11.450 242 HE ARG 31 HE ARG 31 -22.139 -9.955 -11.352 243 HH11 ARG 31 HH11 ARG 31 -20.266 -10.001 -8.391 244 HH12 ARG 31 HH12 ARG 31 -21.109 -8.659 -7.683 245 HH21 ARG 31 HH21 ARG 31 -23.213 -8.161 -10.461 246 HH22 ARG 31 HH22 ARG 31 -22.790 -7.600 -8.871 247 H SER 32 H SER 32 -23.203 -14.502 -11.575 248 HA SER 32 HA SER 32 -24.684 -14.022 -9.221 249 HB2 SER 32 HB3 SER 32 -25.685 -14.680 -12.003 250 HB3 SER 32 HB2 SER 32 -26.658 -13.998 -10.699 251 HG SER 32 HG SER 32 -24.518 -12.817 -12.128 252 H HIS 33 H HIS 33 -24.020 -16.953 -10.992 253 HA HIS 33 HA HIS 33 -26.051 -18.398 -9.497 254 HB2 HIS 33 HB3 HIS 33 -24.170 -19.189 -11.702 255 HB3 HIS 33 HB2 HIS 33 -25.038 -20.403 -10.768 256 HD2 HIS 33 HD2 HIS 33 -25.596 -17.952 -13.659 257 HE1 HIS 33 HE1 HIS 33 -29.310 -19.747 -12.737 258 HE2 HIS 33 HE2 HIS 33 -28.120 -18.098 -14.247 259 H PHE 34 H PHE 34 -22.850 -17.475 -8.992 260 HA PHE 34 HA PHE 34 -22.463 -19.765 -7.187 261 HB2 PHE 34 HB3 PHE 34 -20.497 -18.135 -8.741 262 HB3 PHE 34 HB2 PHE 34 -19.988 -18.965 -7.271 263 HD1 PHE 34 HD1 PHE 34 -20.106 -21.407 -7.122 264 HD2 PHE 34 HD2 PHE 34 -20.972 -19.346 -10.739 265 HE1 PHE 34 HE1 PHE 34 -19.890 -23.515 -8.369 266 HE2 PHE 34 HE2 PHE 34 -20.759 -21.449 -11.993 267 HZ PHE 34 HZ PHE 34 -20.221 -23.539 -10.809 268 H GLU 35 H GLU 35 -22.827 -16.338 -7.272 269 HA GLU 35 HA GLU 35 -21.654 -15.825 -4.718 270 HB2 GLU 35 HB3 GLU 35 -23.619 -14.231 -6.359 271 HB3 GLU 35 HB2 GLU 35 -22.968 -13.678 -4.827 272 HG2 GLU 35 HG3 GLU 35 -20.696 -13.828 -5.808 273 HG3 GLU 35 HG2 GLU 35 -21.442 -14.214 -7.358 274 H GLN 36 H GLN 36 -24.133 -17.713 -5.422 275 HA GLN 36 HA GLN 36 -26.150 -16.816 -3.618 276 HB2 GLN 36 HB3 GLN 36 -25.689 -19.419 -5.054 277 HB3 GLN 36 HB2 GLN 36 -27.063 -19.139 -3.992 278 HG2 GLN 36 HG3 GLN 36 -27.828 -17.334 -5.414 279 HG3 GLN 36 HG2 GLN 36 -26.409 -17.521 -6.444 280 HE21 GLN 36 HE21 GLN 36 -26.230 -19.357 -7.735 281 HE22 GLN 36 HE22 GLN 36 -27.612 -20.302 -8.175 282 H TRP 37 H TRP 37 -23.502 -19.136 -3.467 283 HA TRP 37 HA TRP 37 -24.283 -19.833 -0.726 284 HB2 TRP 37 HB3 TRP 37 -22.388 -21.219 -2.635 285 HB3 TRP 37 HB2 TRP 37 -22.719 -21.749 -0.990 286 HD1 TRP 37 HD1 TRP 37 -24.990 -23.029 -0.547 287 HE1 TRP 37 HE1 TRP 37 -26.792 -24.017 -2.090 288 HE3 TRP 37 HE3 TRP 37 -23.565 -20.839 -4.934 289 HZ2 TRP 37 HZ2 TRP 37 -27.504 -23.892 -4.819 290 HZ3 TRP 37 HZ3 TRP 37 -24.853 -21.335 -6.964 291 HH2 TRP 37 HH2 TRP 37 -26.778 -22.829 -6.912 292 H GLY 38 H GLY 38 -22.461 -17.576 -2.125 293 HA2 GLY 38 HA3 GLY 38 -21.027 -16.917 0.165 294 HA3 GLY 38 HA2 GLY 38 -19.947 -17.880 -0.829 295 H THR 39 H THR 39 -19.035 -15.515 -0.323 296 HA THR 39 HA THR 39 -19.878 -13.567 -2.320 297 HB THR 39 HB THR 39 -17.711 -13.463 -0.211 298 HG1 THR 39 HG1 THR 39 -20.328 -13.260 0.008 299 HG21 THR 39 HG21 THR 39 -17.701 -11.027 -0.640 300 HG22 THR 39 HG22 THR 39 -18.774 -11.285 -2.015 301 HG23 THR 39 HG23 THR 39 -17.144 -11.964 -2.027 302 H LEU 40 H LEU 40 -18.940 -13.428 -4.317 303 HA LEU 40 HA LEU 40 -16.424 -14.848 -4.746 304 HB2 LEU 40 HB3 LEU 40 -18.342 -13.571 -6.688 305 HB3 LEU 40 HB2 LEU 40 -16.791 -14.207 -7.152 306 HG LEU 40 HG LEU 40 -17.429 -16.407 -6.720 307 HD11 LEU 40 HD11 LEU 40 -19.973 -15.455 -5.491 308 HD12 LEU 40 HD12 LEU 40 -18.581 -16.097 -4.618 309 HD13 LEU 40 HD13 LEU 40 -19.471 -17.126 -5.739 310 HD21 LEU 40 HD21 LEU 40 -18.284 -15.509 -8.794 311 HD22 LEU 40 HD22 LEU 40 -19.755 -14.990 -7.972 312 HD23 LEU 40 HD23 LEU 40 -19.393 -16.709 -8.130 313 H THR 41 H THR 41 -14.684 -13.755 -4.256 314 HA THR 41 HA THR 41 -14.505 -10.896 -4.510 315 HB THR 41 HB THR 41 -12.120 -11.265 -3.860 316 HG1 THR 41 HG1 THR 41 -12.496 -13.893 -3.146 317 HG21 THR 41 HG21 THR 41 -13.808 -10.922 -2.141 318 HG22 THR 41 HG22 THR 41 -12.603 -12.083 -1.587 319 HG23 THR 41 HG23 THR 41 -14.181 -12.646 -2.139 320 H ASP 42 H ASP 42 -13.914 -13.679 -6.406 321 HA ASP 42 HA ASP 42 -13.224 -11.995 -8.680 322 HB2 ASP 42 HB3 ASP 42 -11.056 -12.820 -7.827 323 HB3 ASP 42 HB2 ASP 42 -11.644 -14.469 -7.951 324 H CYS 43 H CYS 43 -14.079 -12.725 -10.560 325 HA CYS 43 HA CYS 43 -15.140 -15.408 -10.771 326 HB2 CYS 43 HB3 CYS 43 -17.430 -14.615 -11.291 327 HB3 CYS 43 HB2 CYS 43 -16.964 -14.228 -9.641 328 HG CYS 43 HG CYS 43 -16.654 -11.926 -12.136 329 H VAL 44 H VAL 44 -15.018 -16.083 -12.880 330 HA VAL 44 HA VAL 44 -15.084 -14.204 -15.046 331 HB VAL 44 HB VAL 44 -12.834 -13.748 -14.349 332 HG11 VAL 44 HG11 VAL 44 -12.339 -16.719 -14.536 333 HG12 VAL 44 HG12 VAL 44 -12.378 -15.755 -13.059 334 HG13 VAL 44 HG13 VAL 44 -11.104 -15.492 -14.251 335 HG21 VAL 44 HG21 VAL 44 -13.214 -13.807 -16.747 336 HG22 VAL 44 HG22 VAL 44 -12.841 -15.530 -16.784 337 HG23 VAL 44 HG23 VAL 44 -11.583 -14.363 -16.370 338 H VAL 45 H VAL 45 -15.902 -15.164 -16.744 339 HA VAL 45 HA VAL 45 -15.693 -18.070 -17.037 340 HB VAL 45 HB VAL 45 -17.324 -16.044 -18.594 341 HG11 VAL 45 HG11 VAL 45 -16.669 -17.907 -20.025 342 HG12 VAL 45 HG12 VAL 45 -18.395 -17.968 -19.664 343 HG13 VAL 45 HG13 VAL 45 -17.281 -19.051 -18.831 344 HG21 VAL 45 HG21 VAL 45 -19.246 -17.077 -17.523 345 HG22 VAL 45 HG22 VAL 45 -18.125 -16.439 -16.320 346 HG23 VAL 45 HG23 VAL 45 -18.181 -18.172 -16.644 347 H MET 46 H MET 46 -14.566 -19.005 -18.725 348 HA MET 46 HA MET 46 -12.721 -17.294 -20.156 349 HB2 MET 46 HB3 MET 46 -13.147 -20.281 -20.415 350 HB3 MET 46 HB2 MET 46 -11.803 -19.357 -21.066 351 HG2 MET 46 HG3 MET 46 -12.418 -19.698 -18.146 352 HG3 MET 46 HG2 MET 46 -11.199 -20.596 -19.049 353 HE1 MET 46 HE1 MET 46 -10.528 -19.011 -16.367 354 HE2 MET 46 HE2 MET 46 -8.968 -18.357 -16.856 355 HE3 MET 46 HE3 MET 46 -9.425 -19.997 -17.327 356 H ARG 47 H ARG 47 -12.909 -16.684 -22.280 357 HA ARG 47 HA ARG 47 -15.343 -17.645 -23.641 358 HB2 ARG 47 HB3 ARG 47 -14.069 -14.912 -23.891 359 HB3 ARG 47 HB2 ARG 47 -15.427 -15.481 -24.845 360 HG2 ARG 47 HG3 ARG 47 -16.467 -14.206 -23.256 361 HG3 ARG 47 HG2 ARG 47 -16.566 -15.811 -22.530 362 HD2 ARG 47 HD3 ARG 47 -14.886 -15.350 -20.991 363 HD3 ARG 47 HD2 ARG 47 -14.262 -13.997 -21.933 364 HE ARG 47 HE ARG 47 -16.946 -13.593 -20.977 365 HH11 ARG 47 HH11 ARG 47 -13.563 -13.378 -20.138 366 HH12 ARG 47 HH12 ARG 47 -13.783 -12.057 -19.033 367 HH21 ARG 47 HH21 ARG 47 -17.256 -11.873 -19.524 368 HH22 ARG 47 HH22 ARG 47 -15.896 -11.211 -18.659 369 H ASP 48 H ASP 48 -15.285 -18.039 -25.799 370 HA ASP 48 HA ASP 48 -12.971 -19.024 -26.986 371 HB2 ASP 48 HB3 ASP 48 -15.467 -19.345 -27.642 372 HB3 ASP 48 HB2 ASP 48 -15.252 -17.864 -28.561 373 HA PRO 49 HA PRO 49 -10.838 -15.296 -28.147 374 HB2 PRO 49 HB3 PRO 49 -9.387 -16.348 -30.235 375 HB3 PRO 49 HB2 PRO 49 -8.938 -16.497 -28.534 376 HG2 PRO 49 HG3 PRO 49 -10.315 -18.465 -30.310 377 HG3 PRO 49 HG2 PRO 49 -9.067 -18.743 -29.082 378 HD2 PRO 49 HD3 PRO 49 -11.668 -19.269 -28.621 379 HD3 PRO 49 HD2 PRO 49 -10.586 -18.675 -27.341 380 H ASN 50 H ASN 50 -12.830 -17.161 -30.262 381 HA ASN 50 HA ASN 50 -12.779 -15.072 -32.328 382 HB2 ASN 50 HB3 ASN 50 -14.160 -17.738 -32.575 383 HB3 ASN 50 HB2 ASN 50 -13.594 -16.676 -33.859 384 HD21 ASN 50 HD21 ASN 50 -12.695 -18.977 -31.428 385 HD22 ASN 50 HD22 ASN 50 -11.124 -19.356 -32.081 386 H THR 51 H THR 51 -15.111 -17.207 -30.671 387 HA THR 51 HA THR 51 -17.326 -15.637 -31.577 388 HB THR 51 HB THR 51 -18.740 -17.192 -30.483 389 HG1 THR 51 HG1 THR 51 -17.898 -18.665 -28.900 390 HG21 THR 51 HG21 THR 51 -16.248 -18.685 -31.317 391 HG22 THR 51 HG22 THR 51 -17.529 -18.133 -32.399 392 HG23 THR 51 HG23 THR 51 -17.869 -19.369 -31.187 393 H LYS 52 H LYS 52 -15.375 -15.784 -28.712 394 HA LYS 52 HA LYS 52 -15.285 -14.579 -26.801 395 HB2 LYS 52 HB3 LYS 52 -17.019 -12.635 -28.337 396 HB3 LYS 52 HB2 LYS 52 -16.222 -12.286 -26.809 397 HG2 LYS 52 HG3 LYS 52 -14.880 -12.910 -29.432 398 HG3 LYS 52 HG2 LYS 52 -14.972 -11.338 -28.639 399 HD2 LYS 52 HD3 LYS 52 -13.549 -13.790 -27.604 400 HD3 LYS 52 HD2 LYS 52 -12.790 -12.349 -28.278 401 HE2 LYS 52 HE3 LYS 52 -14.440 -12.489 -25.756 402 HE3 LYS 52 HE2 LYS 52 -12.687 -12.339 -25.843 403 HZ1 LYS 52 HZ1 LYS 52 -13.546 -10.201 -25.435 404 HZ2 LYS 52 HZ2 LYS 52 -14.722 -10.340 -26.647 405 HZ3 LYS 52 HZ3 LYS 52 -13.084 -10.203 -27.067 406 H ARG 53 H ARG 53 -17.494 -16.529 -27.276 407 HA ARG 53 HA ARG 53 -19.671 -15.349 -25.704 408 HB2 ARG 53 HB3 ARG 53 -19.502 -18.030 -27.093 409 HB3 ARG 53 HB2 ARG 53 -20.914 -17.415 -26.247 410 HG2 ARG 53 HG3 ARG 53 -19.671 -16.345 -28.766 411 HG3 ARG 53 HG2 ARG 53 -21.263 -17.081 -28.570 412 HD2 ARG 53 HD3 ARG 53 -20.335 -14.448 -27.434 413 HD3 ARG 53 HD2 ARG 53 -21.483 -14.681 -28.750 414 HE ARG 53 HE ARG 53 -22.782 -15.955 -26.868 415 HH11 ARG 53 HH11 ARG 53 -20.936 -12.988 -26.554 416 HH12 ARG 53 HH12 ARG 53 -21.916 -12.366 -25.258 417 HH21 ARG 53 HH21 ARG 53 -24.073 -15.135 -25.181 418 HH22 ARG 53 HH22 ARG 53 -23.713 -13.585 -24.485 419 H SER 54 H SER 54 -18.152 -18.549 -25.715 420 HA SER 54 HA SER 54 -17.273 -18.332 -23.012 421 HB2 SER 54 HB3 SER 54 -19.689 -18.758 -22.638 422 HB3 SER 54 HB2 SER 54 -19.568 -20.225 -23.605 423 HG SER 54 HG SER 54 -19.247 -20.090 -21.066 424 H ARG 55 H ARG 55 -16.403 -20.530 -22.305 425 HA ARG 55 HA ARG 55 -15.409 -21.992 -24.659 426 HB2 ARG 55 HB3 ARG 55 -13.995 -21.151 -22.145 427 HB3 ARG 55 HB2 ARG 55 -13.396 -22.466 -23.135 428 HG2 ARG 55 HG3 ARG 55 -13.329 -20.899 -25.066 429 HG3 ARG 55 HG2 ARG 55 -13.772 -19.601 -23.959 430 HD2 ARG 55 HD3 ARG 55 -11.416 -19.516 -24.213 431 HD3 ARG 55 HD2 ARG 55 -11.735 -20.193 -22.619 432 HE ARG 55 HE ARG 55 -11.487 -22.388 -24.186 433 HH11 ARG 55 HH11 ARG 55 -9.469 -19.576 -23.608 434 HH12 ARG 55 HH12 ARG 55 -7.989 -20.406 -23.993 435 HH21 ARG 55 HH21 ARG 55 -9.545 -23.485 -24.651 436 HH22 ARG 55 HH22 ARG 55 -8.027 -22.640 -24.542 437 H GLY 56 H GLY 56 -17.536 -22.248 -22.312 438 HA2 GLY 56 HA3 GLY 56 -18.700 -24.194 -21.743 439 HA3 GLY 56 HA2 GLY 56 -17.324 -25.146 -22.282 440 H PHE 57 H PHE 57 -16.225 -22.685 -20.322 441 HA PHE 57 HA PHE 57 -16.793 -23.840 -17.774 442 HB2 PHE 57 HB3 PHE 57 -14.686 -24.759 -17.204 443 HB3 PHE 57 HB2 PHE 57 -15.085 -25.430 -18.780 444 HD1 PHE 57 HD1 PHE 57 -12.585 -23.992 -16.863 445 HD2 PHE 57 HD2 PHE 57 -14.133 -24.010 -20.820 446 HE1 PHE 57 HE1 PHE 57 -10.421 -23.174 -17.708 447 HE2 PHE 57 HE2 PHE 57 -11.973 -23.201 -21.679 448 HZ PHE 57 HZ PHE 57 -10.113 -22.781 -20.120 449 H GLY 58 H GLY 58 -15.563 -22.762 -16.017 450 HA2 GLY 58 HA3 GLY 58 -14.210 -20.287 -16.640 451 HA3 GLY 58 HA2 GLY 58 -15.822 -20.069 -15.967 452 H PHE 59 H PHE 59 -14.291 -18.946 -14.342 453 HA PHE 59 HA PHE 59 -13.725 -20.893 -12.219 454 HB2 PHE 59 HB3 PHE 59 -11.872 -18.724 -13.189 455 HB3 PHE 59 HB2 PHE 59 -11.716 -19.462 -11.599 456 HD1 PHE 59 HD1 PHE 59 -10.875 -21.689 -11.344 457 HD2 PHE 59 HD2 PHE 59 -11.424 -20.003 -15.205 458 HE1 PHE 59 HE1 PHE 59 -9.503 -23.483 -12.318 459 HE2 PHE 59 HE2 PHE 59 -10.056 -21.792 -16.191 460 HZ PHE 59 HZ PHE 59 -9.090 -23.535 -14.746 461 H VAL 60 H VAL 60 -13.692 -20.016 -10.105 462 HA VAL 60 HA VAL 60 -14.871 -17.383 -9.683 463 HB VAL 60 HB VAL 60 -16.870 -18.626 -9.953 464 HG11 VAL 60 HG11 VAL 60 -15.913 -20.876 -9.783 465 HG12 VAL 60 HG12 VAL 60 -17.365 -20.691 -8.797 466 HG13 VAL 60 HG13 VAL 60 -15.774 -20.667 -8.037 467 HG21 VAL 60 HG21 VAL 60 -17.864 -18.513 -7.748 468 HG22 VAL 60 HG22 VAL 60 -16.806 -17.131 -8.054 469 HG23 VAL 60 HG23 VAL 60 -16.257 -18.452 -7.019 470 H THR 61 H THR 61 -14.034 -16.462 -7.883 471 HA THR 61 HA THR 61 -12.714 -18.279 -5.964 472 HB THR 61 HB THR 61 -11.863 -15.440 -6.554 473 HG1 THR 61 HG1 THR 61 -9.923 -16.859 -7.312 474 HG21 THR 61 HG21 THR 61 -9.848 -16.077 -5.282 475 HG22 THR 61 HG22 THR 61 -10.585 -17.641 -4.934 476 HG23 THR 61 HG23 THR 61 -11.314 -16.163 -4.304 477 H TYR 62 H TYR 62 -13.585 -18.247 -4.030 478 HA TYR 62 HA TYR 62 -15.580 -16.236 -3.422 479 HB2 TYR 62 HB3 TYR 62 -14.738 -18.803 -2.094 480 HB3 TYR 62 HB2 TYR 62 -15.878 -17.691 -1.347 481 HD1 TYR 62 HD1 TYR 62 -18.117 -17.551 -2.077 482 HD2 TYR 62 HD2 TYR 62 -15.337 -19.916 -4.252 483 HE1 TYR 62 HE1 TYR 62 -19.970 -18.548 -3.344 484 HE2 TYR 62 HE2 TYR 62 -17.185 -20.923 -5.528 485 HH TYR 62 HH TYR 62 -20.406 -19.684 -5.361 486 H ALA 63 H ALA 63 -15.617 -15.686 -0.935 487 HA ALA 63 HA ALA 63 -13.354 -14.002 -0.490 488 HB1 ALA 63 HB1 ALA 63 -15.639 -13.354 0.152 489 HB2 ALA 63 HB2 ALA 63 -14.522 -13.289 1.516 490 HB3 ALA 63 HB3 ALA 63 -15.648 -14.638 1.363 491 H THR 64 H THR 64 -14.311 -17.149 0.533 492 HA THR 64 HA THR 64 -11.760 -17.652 1.700 493 HB THR 64 HB THR 64 -12.762 -16.565 3.628 494 HG1 THR 64 HG1 THR 64 -11.484 -18.529 3.927 495 HG21 THR 64 HG21 THR 64 -14.795 -17.389 4.685 496 HG22 THR 64 HG22 THR 64 -14.979 -18.602 3.417 497 HG23 THR 64 HG23 THR 64 -15.121 -16.886 3.023 498 H VAL 65 H VAL 65 -11.593 -19.924 2.429 499 HA VAL 65 HA VAL 65 -12.584 -21.721 0.544 500 HB VAL 65 HB VAL 65 -11.767 -23.511 2.061 501 HG11 VAL 65 HG11 VAL 65 -9.419 -22.814 2.025 502 HG12 VAL 65 HG12 VAL 65 -9.922 -21.149 1.732 503 HG13 VAL 65 HG13 VAL 65 -10.246 -22.393 0.524 504 HG21 VAL 65 HG21 VAL 65 -10.652 -22.889 4.153 505 HG22 VAL 65 HG22 VAL 65 -12.372 -22.503 4.202 506 HG23 VAL 65 HG23 VAL 65 -11.188 -21.222 3.943 507 H GLU 66 H GLU 66 -13.993 -20.685 3.553 508 HA GLU 66 HA GLU 66 -15.779 -22.805 4.013 509 HB2 GLU 66 HB3 GLU 66 -16.034 -19.867 4.673 510 HB3 GLU 66 HB2 GLU 66 -17.077 -21.128 5.316 511 HG2 GLU 66 HG3 GLU 66 -14.098 -20.998 5.710 512 HG3 GLU 66 HG2 GLU 66 -15.301 -20.442 6.876 513 H GLU 67 H GLU 67 -16.099 -19.854 2.121 514 HA GLU 67 HA GLU 67 -18.793 -20.149 1.367 515 HB2 GLU 67 HB3 GLU 67 -16.606 -18.895 -0.285 516 HB3 GLU 67 HB2 GLU 67 -18.318 -18.508 -0.316 517 HG2 GLU 67 HG3 GLU 67 -16.577 -18.065 2.090 518 HG3 GLU 67 HG2 GLU 67 -16.822 -16.851 0.837 519 H VAL 68 H VAL 68 -15.770 -21.270 -0.032 520 HA VAL 68 HA VAL 68 -16.752 -22.376 -2.416 521 HB VAL 68 HB VAL 68 -14.318 -22.961 -0.743 522 HG11 VAL 68 HG11 VAL 68 -14.858 -25.056 -1.806 523 HG12 VAL 68 HG12 VAL 68 -13.476 -24.330 -2.628 524 HG13 VAL 68 HG13 VAL 68 -15.081 -24.254 -3.358 525 HG21 VAL 68 HG21 VAL 68 -14.378 -20.843 -1.955 526 HG22 VAL 68 HG22 VAL 68 -14.675 -21.712 -3.461 527 HG23 VAL 68 HG23 VAL 68 -13.145 -21.922 -2.610 528 H ASP 69 H ASP 69 -16.299 -23.759 0.803 529 HA ASP 69 HA ASP 69 -16.886 -26.425 0.263 530 HB2 ASP 69 HB3 ASP 69 -16.070 -25.336 2.451 531 HB3 ASP 69 HB2 ASP 69 -17.771 -25.034 2.787 532 H ALA 70 H ALA 70 -19.082 -23.797 1.197 533 HA ALA 70 HA ALA 70 -21.447 -25.305 1.242 534 HB1 ALA 70 HB1 ALA 70 -21.270 -23.094 2.249 535 HB2 ALA 70 HB2 ALA 70 -22.609 -23.161 1.099 536 HB3 ALA 70 HB3 ALA 70 -21.097 -22.372 0.648 537 H ALA 71 H ALA 71 -19.812 -23.626 -1.395 538 HA ALA 71 HA ALA 71 -21.906 -23.900 -3.292 539 HB1 ALA 71 HB1 ALA 71 -20.109 -22.259 -3.543 540 HB2 ALA 71 HB2 ALA 71 -20.230 -23.311 -4.954 541 HB3 ALA 71 HB3 ALA 71 -18.948 -23.568 -3.771 542 H MET 72 H MET 72 -19.170 -25.916 -2.379 543 HA MET 72 HA MET 72 -19.495 -27.813 -4.479 544 HB2 MET 72 HB3 MET 72 -18.200 -28.095 -1.765 545 HB3 MET 72 HB2 MET 72 -18.115 -29.301 -3.036 546 HG2 MET 72 HG3 MET 72 -17.029 -27.539 -4.472 547 HG3 MET 72 HG2 MET 72 -16.923 -26.554 -3.014 548 HE1 MET 72 HE1 MET 72 -14.538 -27.761 -5.008 549 HE2 MET 72 HE2 MET 72 -13.285 -28.016 -3.792 550 HE3 MET 72 HE3 MET 72 -14.264 -26.550 -3.754 551 H ASN 73 H ASN 73 -20.726 -27.502 -1.213 552 HA ASN 73 HA ASN 73 -21.959 -30.068 -1.083 553 HB2 ASN 73 HB3 ASN 73 -22.529 -27.548 0.501 554 HB3 ASN 73 HB2 ASN 73 -23.105 -29.161 0.909 555 HD21 ASN 73 HD21 ASN 73 -21.291 -27.207 2.276 556 HD22 ASN 73 HD22 ASN 73 -19.844 -28.098 2.613 557 H ALA 74 H ALA 74 -22.647 -27.392 -2.887 558 HA ALA 74 HA ALA 74 -25.536 -27.725 -2.865 559 HB1 ALA 74 HB1 ALA 74 -23.796 -25.806 -4.409 560 HB2 ALA 74 HB2 ALA 74 -24.602 -25.462 -2.874 561 HB3 ALA 74 HB3 ALA 74 -25.559 -25.775 -4.327 562 H ARG 75 H ARG 75 -23.165 -29.438 -4.151 563 HA ARG 75 HA ARG 75 -23.847 -29.710 -6.888 564 HB2 ARG 75 HB3 ARG 75 -21.724 -30.540 -5.978 565 HB3 ARG 75 HB2 ARG 75 -22.588 -31.697 -4.977 566 HG2 ARG 75 HG3 ARG 75 -23.446 -32.755 -7.061 567 HG3 ARG 75 HG2 ARG 75 -22.400 -31.672 -7.980 568 HD2 ARG 75 HD3 ARG 75 -21.492 -33.676 -5.917 569 HD3 ARG 75 HD2 ARG 75 -21.384 -33.878 -7.664 570 HE ARG 75 HE ARG 75 -19.871 -31.893 -6.087 571 HH11 ARG 75 HH11 ARG 75 -20.275 -33.873 -8.951 572 HH12 ARG 75 HH12 ARG 75 -18.680 -33.532 -9.570 573 HH21 ARG 75 HH21 ARG 75 -17.794 -31.448 -6.883 574 HH22 ARG 75 HH22 ARG 75 -17.266 -32.156 -8.377 575 HA PRO 76 HA PRO 76 -24.213 -31.154 -8.523 576 HB2 PRO 76 HB3 PRO 76 -26.752 -31.219 -9.942 577 HB3 PRO 76 HB2 PRO 76 -25.375 -32.315 -10.079 578 HG2 PRO 76 HG3 PRO 76 -27.759 -33.049 -9.000 579 HG3 PRO 76 HG2 PRO 76 -26.211 -33.769 -8.519 580 HD2 PRO 76 HD3 PRO 76 -27.826 -31.651 -7.144 581 HD3 PRO 76 HD2 PRO 76 -26.951 -33.032 -6.450 582 H HIS 77 H HIS 77 -23.673 -29.196 -9.140 583 HA HIS 77 HA HIS 77 -25.249 -26.930 -8.377 584 HB2 HIS 77 HB3 HIS 77 -22.667 -27.162 -8.449 585 HB3 HIS 77 HB2 HIS 77 -22.833 -26.804 -10.165 586 HD2 HIS 77 HD2 HIS 77 -22.494 -25.003 -6.871 587 HE1 HIS 77 HE1 HIS 77 -24.003 -22.196 -9.669 588 HE2 HIS 77 HE2 HIS 77 -22.825 -22.489 -7.438 589 H LYS 78 H LYS 78 -25.879 -25.210 -9.891 590 HA LYS 78 HA LYS 78 -26.468 -26.160 -12.598 591 HB2 LYS 78 HB3 LYS 78 -28.388 -26.663 -10.996 592 HB3 LYS 78 HB2 LYS 78 -28.607 -24.926 -10.861 593 HG2 LYS 78 HG3 LYS 78 -30.157 -25.776 -12.463 594 HG3 LYS 78 HG2 LYS 78 -28.938 -24.825 -13.313 595 HD2 LYS 78 HD3 LYS 78 -29.263 -26.773 -14.609 596 HD3 LYS 78 HD2 LYS 78 -27.735 -27.000 -13.762 597 HE2 LYS 78 HE3 LYS 78 -30.366 -28.105 -12.800 598 HE3 LYS 78 HE2 LYS 78 -29.244 -29.008 -13.811 599 HZ1 LYS 78 HZ1 LYS 78 -28.851 -28.070 -11.027 600 HZ2 LYS 78 HZ2 LYS 78 -27.561 -28.587 -11.994 601 HZ3 LYS 78 HZ3 LYS 78 -28.813 -29.662 -11.614 602 H VAL 79 H VAL 79 -25.524 -24.654 -13.810 603 HA VAL 79 HA VAL 79 -26.020 -21.816 -13.146 604 HB VAL 79 HB VAL 79 -23.573 -22.987 -14.479 605 HG11 VAL 79 HG11 VAL 79 -22.673 -20.708 -14.422 606 HG12 VAL 79 HG12 VAL 79 -24.213 -20.123 -13.792 607 HG13 VAL 79 HG13 VAL 79 -24.127 -20.807 -15.416 608 HG21 VAL 79 HG21 VAL 79 -23.564 -23.415 -12.111 609 HG22 VAL 79 HG22 VAL 79 -23.904 -21.715 -11.781 610 HG23 VAL 79 HG23 VAL 79 -22.368 -22.183 -12.510 611 H ASP 80 H ASP 80 -27.227 -20.815 -14.627 612 HA ASP 80 HA ASP 80 -28.329 -20.309 -16.551 613 HB2 ASP 80 HB3 ASP 80 -26.029 -20.106 -17.493 614 HB3 ASP 80 HB2 ASP 80 -26.080 -21.807 -17.931 615 H GLY 81 H GLY 81 -28.781 -22.849 -15.074 616 HA2 GLY 81 HA3 GLY 81 -30.204 -24.657 -15.293 617 HA3 GLY 81 HA2 GLY 81 -30.538 -24.137 -16.939 618 H ARG 82 H ARG 82 -27.264 -24.516 -16.077 619 HA ARG 82 HA ARG 82 -27.134 -27.090 -17.499 620 HB2 ARG 82 HB3 ARG 82 -26.112 -25.200 -18.729 621 HB3 ARG 82 HB2 ARG 82 -25.066 -24.879 -17.355 622 HG2 ARG 82 HG3 ARG 82 -23.872 -26.061 -19.097 623 HG3 ARG 82 HG2 ARG 82 -24.011 -27.062 -17.651 624 HD2 ARG 82 HD3 ARG 82 -24.443 -28.351 -19.685 625 HD3 ARG 82 HD2 ARG 82 -25.865 -28.274 -18.644 626 HE ARG 82 HE ARG 82 -25.710 -26.290 -20.761 627 HH11 ARG 82 HH11 ARG 82 -26.979 -29.378 -19.701 628 HH12 ARG 82 HH12 ARG 82 -28.275 -29.381 -20.859 629 HH21 ARG 82 HH21 ARG 82 -27.403 -26.286 -22.289 630 HH22 ARG 82 HH22 ARG 82 -28.508 -27.633 -22.338 631 H VAL 83 H VAL 83 -26.160 -28.759 -16.443 632 HA VAL 83 HA VAL 83 -25.513 -28.406 -13.669 633 HB VAL 83 HB VAL 83 -25.118 -30.861 -15.383 634 HG11 VAL 83 HG11 VAL 83 -25.175 -32.077 -13.260 635 HG12 VAL 83 HG12 VAL 83 -25.302 -30.548 -12.390 636 HG13 VAL 83 HG13 VAL 83 -23.843 -30.922 -13.309 637 HG21 VAL 83 HG21 VAL 83 -27.471 -30.067 -13.674 638 HG22 VAL 83 HG22 VAL 83 -27.267 -31.618 -14.488 639 HG23 VAL 83 HG23 VAL 83 -27.439 -30.142 -15.437 640 H VAL 84 H VAL 84 -23.661 -27.424 -13.162 641 HA VAL 84 HA VAL 84 -21.268 -28.023 -14.755 642 HB VAL 84 HB VAL 84 -20.263 -26.037 -13.853 643 HG11 VAL 84 HG11 VAL 84 -21.747 -25.710 -15.747 644 HG12 VAL 84 HG12 VAL 84 -21.786 -24.309 -14.676 645 HG13 VAL 84 HG13 VAL 84 -23.111 -25.472 -14.656 646 HG21 VAL 84 HG21 VAL 84 -21.411 -24.571 -12.260 647 HG22 VAL 84 HG22 VAL 84 -21.102 -26.164 -11.570 648 HG23 VAL 84 HG23 VAL 84 -22.723 -25.743 -12.127 649 H GLU 85 H GLU 85 -19.232 -28.305 -13.563 650 HA GLU 85 HA GLU 85 -19.702 -29.502 -10.916 651 HB2 GLU 85 HB3 GLU 85 -19.074 -31.254 -12.472 652 HB3 GLU 85 HB2 GLU 85 -17.661 -30.335 -12.984 653 HG2 GLU 85 HG3 GLU 85 -16.639 -30.575 -10.842 654 HG3 GLU 85 HG2 GLU 85 -18.103 -31.281 -10.164 655 HA PRO 86 HA PRO 86 -16.725 -26.374 -9.812 656 HB2 PRO 86 HB3 PRO 86 -17.741 -26.120 -7.264 657 HB3 PRO 86 HB2 PRO 86 -18.352 -25.266 -8.682 658 HG2 PRO 86 HG3 PRO 86 -19.652 -27.312 -7.136 659 HG3 PRO 86 HG2 PRO 86 -20.287 -26.408 -8.518 660 HD2 PRO 86 HD3 PRO 86 -19.125 -29.113 -8.421 661 HD3 PRO 86 HD2 PRO 86 -20.197 -28.384 -9.635 662 H LYS 87 H LYS 87 -14.751 -27.265 -9.539 663 HA LYS 87 HA LYS 87 -14.345 -28.961 -7.160 664 HB2 LYS 87 HB3 LYS 87 -12.696 -30.245 -8.352 665 HB3 LYS 87 HB2 LYS 87 -14.158 -30.201 -9.313 666 HG2 LYS 87 HG3 LYS 87 -13.153 -28.400 -10.672 667 HG3 LYS 87 HG2 LYS 87 -11.649 -28.632 -9.777 668 HD2 LYS 87 HD3 LYS 87 -11.538 -29.868 -11.855 669 HD3 LYS 87 HD2 LYS 87 -11.639 -31.008 -10.512 670 HE2 LYS 87 HE3 LYS 87 -14.029 -31.278 -10.911 671 HE3 LYS 87 HE2 LYS 87 -13.951 -30.116 -12.229 672 HZ1 LYS 87 HZ1 LYS 87 -12.529 -31.617 -13.455 673 HZ2 LYS 87 HZ2 LYS 87 -13.948 -32.424 -13.002 674 HZ3 LYS 87 HZ3 LYS 87 -12.507 -32.716 -12.163 675 H ARG 88 H ARG 88 -12.187 -28.810 -6.196 676 HA ARG 88 HA ARG 88 -11.382 -26.148 -5.782 677 HB2 ARG 88 HB3 ARG 88 -10.892 -28.564 -4.557 678 HB3 ARG 88 HB2 ARG 88 -9.323 -28.172 -5.244 679 HG2 ARG 88 HG3 ARG 88 -9.381 -27.333 -3.018 680 HG3 ARG 88 HG2 ARG 88 -9.462 -25.953 -4.116 681 HD2 ARG 88 HD3 ARG 88 -11.817 -25.741 -3.782 682 HD3 ARG 88 HD2 ARG 88 -11.876 -27.246 -2.870 683 HE ARG 88 HE ARG 88 -10.432 -24.864 -1.897 684 HH11 ARG 88 HH11 ARG 88 -12.654 -27.529 -1.400 685 HH12 ARG 88 HH12 ARG 88 -12.934 -27.154 0.272 686 HH21 ARG 88 HH21 ARG 88 -10.777 -24.400 0.321 687 HH22 ARG 88 HH22 ARG 88 -11.850 -25.398 1.252 688 H ALA 89 H ALA 89 -10.124 -24.844 -6.952 689 HA ALA 89 HA ALA 89 -9.076 -25.785 -9.437 690 HB1 ALA 89 HB1 ALA 89 -8.435 -23.478 -9.831 691 HB2 ALA 89 HB2 ALA 89 -8.779 -23.078 -8.149 692 HB3 ALA 89 HB3 ALA 89 -10.088 -23.569 -9.223 693 H VAL 90 H VAL 90 -7.042 -26.160 -10.043 694 HA VAL 90 HA VAL 90 -4.946 -26.245 -8.054 695 HB VAL 90 HB VAL 90 -3.552 -27.164 -9.861 696 HG11 VAL 90 HG11 VAL 90 -4.783 -29.258 -10.202 697 HG12 VAL 90 HG12 VAL 90 -6.256 -28.472 -9.634 698 HG13 VAL 90 HG13 VAL 90 -4.893 -28.692 -8.536 699 HG21 VAL 90 HG21 VAL 90 -5.996 -26.791 -11.585 700 HG22 VAL 90 HG22 VAL 90 -4.545 -27.677 -12.051 701 HG23 VAL 90 HG23 VAL 90 -4.458 -25.942 -11.749 702 H SER 91 H SER 91 -2.686 -25.463 -9.165 703 HA SER 91 HA SER 91 -2.938 -22.622 -9.356 704 HB2 SER 91 HB3 SER 91 -0.536 -24.391 -9.897 705 HB3 SER 91 HB2 SER 91 -0.501 -22.647 -9.633 706 HG SER 91 HG SER 91 -0.582 -24.667 -7.825 707 H ARG 92 H ARG 92 -2.434 -21.308 -11.218 708 HA ARG 92 HA ARG 92 -3.172 -22.560 -13.709 709 HB2 ARG 92 HB3 ARG 92 -2.796 -20.277 -14.687 710 HB3 ARG 92 HB2 ARG 92 -4.005 -20.354 -13.418 711 HG2 ARG 92 HG3 ARG 92 -2.477 -19.386 -11.833 712 HG3 ARG 92 HG2 ARG 92 -1.168 -19.432 -13.020 713 HD2 ARG 92 HD3 ARG 92 -2.290 -17.854 -14.418 714 HD3 ARG 92 HD2 ARG 92 -3.742 -17.927 -13.425 715 HE ARG 92 HE ARG 92 -2.571 -16.728 -11.707 716 HH11 ARG 92 HH11 ARG 92 -0.818 -17.008 -14.725 717 HH12 ARG 92 HH12 ARG 92 0.078 -15.536 -14.495 718 HH21 ARG 92 HH21 ARG 92 -1.402 -14.774 -11.395 719 HH22 ARG 92 HH22 ARG 92 -0.238 -14.273 -12.593 720 H GLU 93 H GLU 93 -0.339 -22.041 -11.983 721 HA GLU 93 HA GLU 93 1.457 -22.306 -14.230 722 HB2 GLU 93 HB3 GLU 93 1.926 -22.602 -11.255 723 HB3 GLU 93 HB2 GLU 93 3.188 -22.602 -12.478 724 HG2 GLU 93 HG3 GLU 93 1.333 -20.315 -11.860 725 HG3 GLU 93 HG2 GLU 93 3.019 -20.451 -11.358 726 H ASP 94 H ASP 94 -0.575 -24.337 -12.514 727 HA ASP 94 HA ASP 94 1.048 -26.711 -12.428 728 HB2 ASP 94 HB3 ASP 94 -1.044 -26.062 -10.990 729 HB3 ASP 94 HB2 ASP 94 -1.952 -26.722 -12.334 730 H SER 95 H SER 95 -1.055 -25.156 -14.632 731 HA SER 95 HA SER 95 -2.182 -27.157 -16.083 732 HB2 SER 95 HB3 SER 95 -1.064 -24.660 -17.356 733 HB3 SER 95 HB2 SER 95 -2.518 -25.552 -17.804 734 HG SER 95 HG SER 95 -2.572 -23.500 -16.374 735 H GLN 96 H GLN 96 -1.505 -28.675 -17.458 736 HA GLN 96 HA GLN 96 1.322 -28.774 -18.178 737 HB2 GLN 96 HB3 GLN 96 -0.085 -30.752 -17.280 738 HB3 GLN 96 HB2 GLN 96 -0.794 -30.810 -18.884 739 HG2 GLN 96 HG3 GLN 96 2.167 -31.007 -18.423 740 HG3 GLN 96 HG2 GLN 96 1.104 -32.410 -18.396 741 HE21 GLN 96 HE21 GLN 96 2.670 -30.036 -20.358 742 HE22 GLN 96 HE22 GLN 96 2.245 -30.728 -21.894 743 H ARG 97 H ARG 97 -1.816 -29.145 -19.805 744 HA ARG 97 HA ARG 97 -0.579 -28.305 -22.317 745 HB2 ARG 97 HB3 ARG 97 -2.753 -29.084 -23.324 746 HB3 ARG 97 HB2 ARG 97 -1.804 -30.338 -22.541 747 HG2 ARG 97 HG3 ARG 97 -3.250 -30.106 -20.538 748 HG3 ARG 97 HG2 ARG 97 -4.249 -28.969 -21.444 749 HD2 ARG 97 HD3 ARG 97 -5.241 -31.172 -21.513 750 HD3 ARG 97 HD2 ARG 97 -4.675 -30.718 -23.120 751 HE ARG 97 HE ARG 97 -2.668 -32.134 -22.593 752 HH11 ARG 97 HH11 ARG 97 -5.776 -32.727 -21.076 753 HH12 ARG 97 HH12 ARG 97 -5.455 -34.421 -20.817 754 HH21 ARG 97 HH21 ARG 97 -2.252 -34.328 -22.245 755 HH22 ARG 97 HH22 ARG 97 -3.452 -35.328 -21.482 756 H5' U 1 H5' U 1 -18.250 -30.031 -20.223 757 H5'' U 1 H5'' U 1 -18.703 -28.382 -20.679 758 H4' U 1 H4' U 1 -16.875 -30.242 -21.945 759 H3' U 1 H3' U 1 -16.476 -27.741 -21.265 760 H2' U 1 H2' U 1 -18.203 -26.633 -22.483 761 HO2' U 1 HO2' U 1 -16.120 -25.944 -23.378 762 H1' U 1 H1' U 1 -17.946 -28.248 -24.998 763 H3 U 1 H3 U 1 -22.215 -27.784 -26.168 764 H5 U 1 H5 U 1 -22.240 -26.700 -22.113 765 H6 U 1 H6 U 1 -19.910 -27.283 -22.020 766 HO5' U 1 HO5' U 1 -19.701 -30.297 -22.368 767 H5' U 2 H5' U 2 -15.224 -26.884 -19.854 768 H5'' U 2 H5'' U 2 -13.870 -26.872 -21.004 769 H4' U 2 H4' U 2 -12.868 -26.370 -18.985 770 H3' U 2 H3' U 2 -11.913 -28.564 -20.138 771 H2' U 2 H2' U 2 -13.399 -30.155 -19.103 772 HO2' U 2 HO2' U 2 -11.500 -29.990 -17.009 773 H1' U 2 H1' U 2 -13.021 -28.772 -16.399 774 H3 U 2 H3 U 2 -16.012 -31.462 -14.477 775 H5 U 2 H5 U 2 -17.733 -30.703 -18.229 776 H6 U 2 H6 U 2 -15.759 -29.450 -18.799 777 H5' A 3 H5' A 3 -10.349 -25.889 -18.764 778 H5'' A 3 H5'' A 3 -9.277 -25.305 -20.052 779 H4' A 3 H4' A 3 -8.796 -23.907 -18.276 780 H3' A 3 H3' A 3 -6.675 -25.292 -19.134 781 H2' A 3 H2' A 3 -7.041 -27.170 -17.565 782 HO2' A 3 HO2' A 3 -5.410 -25.464 -15.990 783 H1' A 3 H1' A 3 -7.392 -24.888 -15.517 784 H8 A 3 H8 A 3 -8.398 -28.572 -16.268 785 H61 A 3 H61 A 3 -9.106 -29.866 -11.615 786 H62 A 3 H62 A 3 -9.028 -28.980 -10.109 787 H2 A 3 H2 A 3 -7.914 -24.757 -11.142 788 H5' G 4 H5' G 4 -7.611 -22.523 -18.873 789 H5'' G 4 H5'' G 4 -7.420 -21.638 -20.399 790 H4' G 4 H4' G 4 -7.603 -19.798 -19.216 791 H3' G 4 H3' G 4 -4.845 -20.337 -19.085 792 H2' G 4 H2' G 4 -4.868 -20.832 -16.725 793 HO2' G 4 HO2' G 4 -3.897 -18.608 -17.163 794 H1' G 4 H1' G 4 -7.212 -18.827 -16.665 795 H8 G 4 H8 G 4 -8.123 -18.454 -14.391 796 H1 G 4 H1 G 4 -5.655 -23.907 -12.082 797 H21 G 4 H21 G 4 -4.448 -24.372 -15.299 798 H22 G 4 H22 G 4 -4.572 -24.982 -13.665 799 H5' G 5 H5' G 5 -5.660 -15.451 -18.877 800 H5'' G 5 H5'' G 5 -6.908 -16.637 -18.453 801 H4' G 5 H4' G 5 -7.729 -14.618 -20.416 802 H3' G 5 H3' G 5 -6.585 -13.683 -17.864 803 H2' G 5 H2' G 5 -8.546 -12.567 -17.125 804 HO2' G 5 HO2' G 5 -9.484 -11.517 -18.731 805 H1' G 5 H1' G 5 -10.413 -14.468 -17.787 806 H8 G 5 H8 G 5 -7.963 -16.900 -17.036 807 H1 G 5 H1 G 5 -9.361 -13.557 -11.744 808 H21 G 5 H21 G 5 -10.753 -11.258 -13.926 809 H22 G 5 H22 G 5 -10.400 -11.699 -12.270 810 H5' U 6 H5' U 6 -4.888 -14.130 -20.337 811 H5'' U 6 H5'' U 6 -5.019 -14.313 -18.577 812 H4' U 6 H4' U 6 -2.497 -14.114 -20.214 813 H3' U 6 H3' U 6 -3.715 -16.430 -19.995 814 H2' U 6 H2' U 6 -4.169 -16.544 -17.661 815 HO2' U 6 HO2' U 6 -1.418 -17.281 -17.818 816 H1' U 6 H1' U 6 -1.605 -15.326 -16.705 817 H3 U 6 H3 U 6 -3.320 -12.949 -13.323 818 H5 U 6 H5 U 6 -6.692 -14.665 -15.142 819 H6 U 6 H6 U 6 -5.255 -15.452 -16.899 820 H5' C 7 H5' C 7 0.480 -13.880 -21.778 821 H5'' C 7 H5'' C 7 -0.149 -14.041 -20.127 822 H4' C 7 H4' C 7 0.037 -11.704 -21.092 823 H3' C 7 H3' C 7 -2.400 -12.751 -19.704 824 HO3' C 7 HO3' C 7 -1.693 -11.387 -18.173 825 H2' C 7 H2' C 7 -3.591 -10.749 -20.185 826 HO2' C 7 HO2' C 7 -2.458 -8.969 -20.048 827 H1' C 7 H1' C 7 -2.662 -10.410 -22.807 828 H41 C 7 H41 C 7 -7.504 -14.887 -23.134 829 H42 C 7 H42 C 7 -8.274 -13.334 -23.376 830 H5 C 7 H5 C 7 -5.156 -15.114 -22.564 831 H6 C 7 H6 C 7 -3.089 -13.900 -22.108
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