NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610731 | 2n9v | 18565 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -6.483 -15.620 10.083 2 H2 MET 1 HT2 MET 1 -6.362 -17.035 11.015 3 H3 MET 1 HT3 MET 1 -4.972 -16.126 10.661 4 HA MET 1 HA MET 1 -5.315 -14.683 12.313 5 HB2 MET 1 HB2 MET 1 -8.245 -14.928 11.581 6 HB3 MET 1 HB1 MET 1 -7.646 -13.883 12.870 7 HG2 MET 1 HG2 MET 1 -6.208 -12.705 11.238 8 HG3 MET 1 HG1 MET 1 -6.832 -13.738 9.951 9 HE1 MET 1 HE1 MET 1 -8.580 -10.518 8.961 10 HE2 MET 1 HE2 MET 1 -7.863 -12.021 8.387 11 HE3 MET 1 HE3 MET 1 -6.910 -10.922 9.381 12 H GLY 2 HN GLY 2 -5.997 -14.767 14.590 13 HA2 GLY 2 HA2 GLY 2 -6.682 -15.853 16.534 14 HA3 GLY 2 HA1 GLY 2 -7.328 -17.159 15.546 15 H VAL 3 HN VAL 3 -4.296 -16.624 14.411 16 HA VAL 3 HA VAL 3 -3.156 -18.775 16.106 17 HB VAL 3 HB VAL 3 -2.211 -17.893 13.375 18 HG11 VAL 3 HG11 VAL 3 -1.169 -20.145 13.412 19 HG12 VAL 3 HG12 VAL 3 -1.800 -20.398 15.039 20 HG13 VAL 3 HG13 VAL 3 -0.595 -19.144 14.747 21 HG21 VAL 3 HG21 VAL 3 -3.438 -19.967 12.602 22 HG22 VAL 3 HG22 VAL 3 -4.495 -18.650 13.113 23 HG23 VAL 3 HG23 VAL 3 -4.215 -20.022 14.185 24 H TRP 4 HN TRP 4 -2.830 -16.834 17.612 25 HA TRP 4 HA TRP 4 -0.181 -15.616 17.036 26 HB2 TRP 4 HB2 TRP 4 -2.377 -14.349 18.678 27 HB3 TRP 4 HB1 TRP 4 -0.868 -13.612 18.138 28 HD1 TRP 4 HD1 TRP 4 -0.752 -14.316 15.165 29 HE1 TRP 4 HE1 TRP 4 -2.489 -13.416 13.485 30 HE3 TRP 4 HE3 TRP 4 -4.584 -13.223 18.358 31 HZ2 TRP 4 HZ2 TRP 4 -5.151 -12.371 13.494 32 HZ3 TRP 4 HZ3 TRP 4 -6.706 -12.277 17.497 33 HH2 TRP 4 HH2 TRP 4 -6.995 -11.850 15.072 34 H THR 5 HN THR 5 1.335 -16.009 18.484 35 HA THR 5 HA THR 5 0.869 -16.272 21.272 36 HB THR 5 HB THR 5 1.832 -18.834 20.014 37 HG1 THR 5 HG1 THR 5 -0.111 -19.065 19.290 38 HG21 THR 5 HG21 THR 5 1.389 -19.761 22.134 39 HG22 THR 5 HG22 THR 5 0.337 -18.424 22.594 40 HG23 THR 5 HG23 THR 5 2.082 -18.180 22.505 41 HA PRO 6 HA PRO 6 5.220 -15.563 19.410 42 HB2 PRO 6 HB2 PRO 6 5.331 -12.834 19.792 43 HB3 PRO 6 HB1 PRO 6 4.734 -13.587 18.298 44 HG2 PRO 6 HG2 PRO 6 3.171 -12.569 20.633 45 HG3 PRO 6 HG1 PRO 6 2.896 -12.295 18.907 46 HD2 PRO 6 HD2 PRO 6 1.469 -14.130 20.244 47 HD3 PRO 6 HD1 PRO 6 2.020 -14.427 18.577 48 H GLU 7 HN GLU 7 7.021 -14.326 20.669 49 HA GLU 7 HA GLU 7 7.313 -15.363 23.207 50 HB2 GLU 7 HB2 GLU 7 8.551 -12.813 22.126 51 HB3 GLU 7 HB1 GLU 7 9.113 -13.710 23.536 52 HG2 GLU 7 HG2 GLU 7 10.500 -14.575 21.858 53 HG3 GLU 7 HG1 GLU 7 9.196 -15.758 21.880 54 H VAL 8 HN VAL 8 5.311 -12.802 22.216 55 HA VAL 8 HA VAL 8 5.299 -11.095 24.423 56 HB VAL 8 HB VAL 8 2.898 -11.954 22.798 57 HG11 VAL 8 HG11 VAL 8 2.235 -10.683 24.720 58 HG12 VAL 8 HG12 VAL 8 2.158 -9.613 23.320 59 HG13 VAL 8 HG13 VAL 8 3.514 -9.500 24.442 60 HG21 VAL 8 HG21 VAL 8 4.774 -9.636 22.270 61 HG22 VAL 8 HG22 VAL 8 3.472 -10.216 21.231 62 HG23 VAL 8 HG23 VAL 8 4.923 -11.192 21.454 63 H LEU 9 HN LEU 9 3.374 -14.039 23.834 64 HA LEU 9 HA LEU 9 1.988 -13.992 26.294 65 HB2 LEU 9 HB2 LEU 9 1.251 -15.362 24.434 66 HB3 LEU 9 HB1 LEU 9 2.738 -16.306 24.499 67 HG LEU 9 HG LEU 9 1.299 -16.164 27.109 68 HD11 LEU 9 HD11 LEU 9 0.018 -17.412 24.679 69 HD12 LEU 9 HD12 LEU 9 -0.700 -16.303 25.846 70 HD13 LEU 9 HD13 LEU 9 -0.338 -17.963 26.316 71 HD21 LEU 9 HD21 LEU 9 3.302 -17.632 26.443 72 HD22 LEU 9 HD22 LEU 9 2.155 -18.586 25.506 73 HD23 LEU 9 HD23 LEU 9 1.968 -18.454 27.253 74 H LYS 10 HN LYS 10 5.016 -15.536 25.294 75 HA LYS 10 HA LYS 10 5.541 -16.860 27.740 76 HB2 LYS 10 HB2 LYS 10 6.665 -17.378 25.580 77 HB3 LYS 10 HB1 LYS 10 7.529 -15.846 25.704 78 HG2 LYS 10 HG2 LYS 10 8.631 -16.538 27.731 79 HG3 LYS 10 HG1 LYS 10 7.625 -17.980 27.852 80 HD2 LYS 10 HD2 LYS 10 9.717 -18.717 26.953 81 HD3 LYS 10 HD1 LYS 10 8.590 -18.692 25.600 82 HE2 LYS 10 HE2 LYS 10 9.493 -16.651 24.756 83 HE3 LYS 10 HE1 LYS 10 10.393 -16.348 26.242 84 HZ1 LYS 10 HZ1 LYS 10 11.475 -18.612 25.669 85 HZ2 LYS 10 HZ2 LYS 10 11.996 -17.203 24.880 86 HZ3 LYS 10 HZ3 LYS 10 10.939 -18.275 24.096 87 H ALA 11 HN ALA 11 6.272 -13.634 26.529 88 HA ALA 11 HA ALA 11 8.023 -12.853 28.615 89 HB1 ALA 11 HB1 ALA 11 7.797 -10.651 27.771 90 HB2 ALA 11 HB2 ALA 11 6.194 -10.979 27.114 91 HB3 ALA 11 HB3 ALA 11 7.620 -11.692 26.360 92 H ARG 12 HN ARG 12 4.522 -12.685 28.203 93 HA ARG 12 HA ARG 12 4.007 -11.193 30.575 94 HB2 ARG 12 HB2 ARG 12 2.252 -13.035 28.929 95 HB3 ARG 12 HB1 ARG 12 1.662 -12.030 30.252 96 HG2 ARG 12 HG2 ARG 12 3.243 -10.777 28.007 97 HG3 ARG 12 HG1 ARG 12 1.527 -11.113 27.790 98 HD2 ARG 12 HD2 ARG 12 1.043 -9.809 29.858 99 HD3 ARG 12 HD1 ARG 12 2.749 -9.405 29.985 100 HE ARG 12 HE ARG 12 0.849 -8.346 28.044 101 HH11 ARG 12 HH21 ARG 12 4.133 -8.782 29.049 102 HH12 ARG 12 HH22 ARG 12 4.736 -7.441 28.136 103 HH21 ARG 12 HH11 ARG 12 1.632 -6.585 26.847 104 HH22 ARG 12 HH12 ARG 12 3.318 -6.198 26.888 105 H ALA 13 HN ALA 13 3.906 -14.649 29.800 106 HA ALA 13 HA ALA 13 3.186 -15.470 32.439 107 HB1 ALA 13 HB1 ALA 13 4.632 -17.133 30.373 108 HB2 ALA 13 HB2 ALA 13 2.898 -16.820 30.305 109 HB3 ALA 13 HB3 ALA 13 3.583 -17.696 31.674 110 H SER 14 HN SER 14 6.225 -15.125 30.685 111 HA SER 14 HA SER 14 7.803 -16.028 32.964 112 HB2 SER 14 HB2 SER 14 8.804 -14.832 30.376 113 HB3 SER 14 HB1 SER 14 9.696 -15.835 31.520 114 HG SER 14 HG SER 14 9.007 -17.134 29.844 115 H VAL 15 HN VAL 15 6.272 -13.228 32.121 116 HA VAL 15 HA VAL 15 6.413 -11.050 32.828 117 HB VAL 15 HB VAL 15 8.437 -12.042 34.837 118 HG11 VAL 15 HG11 VAL 15 7.505 -10.225 36.197 119 HG12 VAL 15 HG12 VAL 15 6.350 -9.842 34.920 120 HG13 VAL 15 HG13 VAL 15 8.075 -9.592 34.653 121 HG21 VAL 15 HG21 VAL 15 6.340 -12.348 36.282 122 HG22 VAL 15 HG22 VAL 15 6.608 -13.566 35.036 123 HG23 VAL 15 HG23 VAL 15 5.421 -12.288 34.778 124 H ILE 16 HN ILE 16 9.733 -12.088 33.566 125 HA ILE 16 HA ILE 16 10.762 -9.855 31.957 126 HB ILE 16 HB ILE 16 11.603 -10.184 34.253 127 HG12 ILE 16 HG12 ILE 16 13.725 -10.808 32.179 128 HG13 ILE 16 HG11 ILE 16 13.019 -9.207 32.405 129 HG21 ILE 16 HG21 ILE 16 12.812 -12.743 33.176 130 HG22 ILE 16 HG22 ILE 16 11.376 -12.691 34.199 131 HG23 ILE 16 HG23 ILE 16 12.925 -12.124 34.822 132 HD11 ILE 16 HD11 ILE 16 13.711 -9.368 34.846 133 HD12 ILE 16 HD12 ILE 16 15.044 -9.251 33.696 134 HD13 ILE 16 HD13 ILE 16 14.628 -10.810 34.407 135 H GLY 17 HN GLY 17 11.942 -10.094 30.130 136 HA2 GLY 17 HA2 GLY 17 11.656 -12.365 28.520 137 HA3 GLY 17 HA1 GLY 17 12.840 -11.086 28.257 138 H LYS 18 HN LYS 18 12.870 -14.160 28.162 139 HA LYS 18 HA LYS 18 15.570 -14.499 28.967 140 HB2 LYS 18 HB2 LYS 18 14.324 -14.495 31.205 141 HB3 LYS 18 HB1 LYS 18 13.635 -16.035 30.696 142 HG2 LYS 18 HG2 LYS 18 15.959 -16.894 30.327 143 HG3 LYS 18 HG1 LYS 18 16.579 -15.383 30.995 144 HD2 LYS 18 HD2 LYS 18 15.178 -15.861 33.064 145 HD3 LYS 18 HD1 LYS 18 14.909 -17.475 32.403 146 HE2 LYS 18 HE2 LYS 18 17.320 -17.891 32.357 147 HE3 LYS 18 HE1 LYS 18 17.634 -16.255 32.934 148 HZ1 LYS 18 HZ1 LYS 18 15.778 -17.549 34.627 149 HZ2 LYS 18 HZ2 LYS 18 17.307 -16.911 35.007 150 HZ3 LYS 18 HZ3 LYS 18 17.162 -18.514 34.460 151 HA PRO 19 HA PRO 19 13.395 -17.556 26.077 152 HB2 PRO 19 HB2 PRO 19 14.859 -16.895 23.823 153 HB3 PRO 19 HB1 PRO 19 13.301 -16.157 24.244 154 HG2 PRO 19 HG2 PRO 19 16.062 -15.124 24.696 155 HG3 PRO 19 HG1 PRO 19 14.610 -14.259 24.164 156 HD2 PRO 19 HD2 PRO 19 15.507 -14.114 26.712 157 HD3 PRO 19 HD1 PRO 19 13.772 -14.060 26.332 158 H ILE 20 HN ILE 20 14.201 -19.584 25.841 159 HA ILE 20 HA ILE 20 16.976 -20.068 26.612 160 HB ILE 20 HB ILE 20 14.724 -21.984 25.993 161 HG12 ILE 20 HG12 ILE 20 15.949 -21.239 28.668 162 HG13 ILE 20 HG11 ILE 20 14.502 -20.452 28.029 163 HG21 ILE 20 HG21 ILE 20 16.254 -23.606 27.182 164 HG22 ILE 20 HG22 ILE 20 17.515 -22.377 27.122 165 HG23 ILE 20 HG23 ILE 20 16.873 -23.058 25.627 166 HD11 ILE 20 HD11 ILE 20 13.521 -22.821 27.772 167 HD12 ILE 20 HD12 ILE 20 13.681 -22.207 29.416 168 HD13 ILE 20 HD13 ILE 20 14.854 -23.363 28.791 169 H GLY 21 HN GLY 21 18.580 -20.648 25.256 170 HA2 GLY 21 HA2 GLY 21 18.043 -20.595 22.390 171 HA3 GLY 21 HA1 GLY 21 19.623 -20.678 23.164 172 H GLU 22 HN GLU 22 17.231 -22.418 21.541 173 HA GLU 22 HA GLU 22 18.698 -24.729 21.186 174 HB2 GLU 22 HB2 GLU 22 17.519 -24.651 23.831 175 HB3 GLU 22 HB1 GLU 22 16.730 -25.929 22.919 176 HG2 GLU 22 HG2 GLU 22 18.900 -26.899 22.348 177 HG3 GLU 22 HG1 GLU 22 19.729 -25.597 23.201 178 H SER 23 HN SER 23 17.015 -26.711 20.815 179 HA SER 23 HA SER 23 15.449 -25.918 18.602 180 HB2 SER 23 HB2 SER 23 16.227 -28.148 18.579 181 HB3 SER 23 HB1 SER 23 15.609 -28.469 20.198 182 HG SER 23 HG SER 23 14.338 -28.518 17.759 183 H TYR 24 HN TYR 24 14.649 -26.592 21.982 184 HA TYR 24 HA TYR 24 11.885 -26.690 21.849 185 HB2 TYR 24 HB2 TYR 24 13.137 -27.079 23.922 186 HB3 TYR 24 HB1 TYR 24 13.588 -25.375 23.981 187 HD1 TYR 24 HD2 TYR 24 10.667 -27.697 24.000 188 HD2 TYR 24 HD1 TYR 24 12.110 -23.749 24.887 189 HE1 TYR 24 HE2 TYR 24 8.532 -27.174 25.149 190 HE2 TYR 24 HE1 TYR 24 9.976 -23.225 26.034 191 HH TYR 24 HH TYR 24 7.578 -25.693 26.667 192 H LYS 25 HN LYS 25 14.005 -24.029 21.282 193 HA LYS 25 HA LYS 25 11.908 -22.015 21.586 194 HB2 LYS 25 HB2 LYS 25 14.239 -21.515 22.242 195 HB3 LYS 25 HB1 LYS 25 14.746 -21.735 20.569 196 HG2 LYS 25 HG2 LYS 25 13.346 -19.890 19.844 197 HG3 LYS 25 HG1 LYS 25 12.652 -19.729 21.459 198 HD2 LYS 25 HD2 LYS 25 14.893 -19.168 22.349 199 HD3 LYS 25 HD1 LYS 25 15.564 -19.301 20.723 200 HE2 LYS 25 HE2 LYS 25 13.338 -17.391 21.494 201 HE3 LYS 25 HE1 LYS 25 15.040 -16.939 21.387 202 HZ1 LYS 25 HZ1 LYS 25 13.328 -17.969 19.193 203 HZ2 LYS 25 HZ2 LYS 25 15.004 -17.730 19.060 204 HZ3 LYS 25 HZ3 LYS 25 13.974 -16.407 19.333 205 H ARG 26 HN ARG 26 13.109 -24.104 19.178 206 HA ARG 26 HA ARG 26 12.720 -22.567 16.856 207 HB2 ARG 26 HB2 ARG 26 13.934 -24.735 16.914 208 HB3 ARG 26 HB1 ARG 26 12.400 -25.561 17.190 209 HG2 ARG 26 HG2 ARG 26 11.536 -24.616 15.049 210 HG3 ARG 26 HG1 ARG 26 13.112 -23.874 14.771 211 HD2 ARG 26 HD2 ARG 26 14.129 -26.171 14.917 212 HD3 ARG 26 HD1 ARG 26 12.494 -26.827 14.977 213 HE ARG 26 HE ARG 26 12.915 -25.077 12.729 214 HH11 ARG 26 HH21 ARG 26 13.293 -28.277 13.995 215 HH12 ARG 26 HH22 ARG 26 13.296 -29.040 12.440 216 HH21 ARG 26 HH11 ARG 26 12.918 -26.070 10.690 217 HH22 ARG 26 HH12 ARG 26 13.085 -27.789 10.569 218 H ILE 27 HN ILE 27 10.557 -24.704 18.688 219 HA ILE 27 HA ILE 27 8.363 -24.546 16.953 220 HB ILE 27 HB ILE 27 7.037 -25.076 19.104 221 HG12 ILE 27 HG12 ILE 27 9.843 -25.398 20.199 222 HG13 ILE 27 HG11 ILE 27 8.832 -24.001 20.561 223 HG21 ILE 27 HG21 ILE 27 8.155 -27.362 19.259 224 HG22 ILE 27 HG22 ILE 27 9.349 -26.758 18.110 225 HG23 ILE 27 HG23 ILE 27 7.652 -26.870 17.642 226 HD11 ILE 27 HD11 ILE 27 7.154 -25.385 21.590 227 HD12 ILE 27 HD12 ILE 27 8.715 -25.824 22.286 228 HD13 ILE 27 HD13 ILE 27 7.973 -26.855 21.062 229 H LEU 28 HN LEU 28 9.385 -22.524 19.635 230 HA LEU 28 HA LEU 28 7.091 -20.858 19.663 231 HB2 LEU 28 HB2 LEU 28 8.681 -21.091 21.570 232 HB3 LEU 28 HB1 LEU 28 9.888 -20.219 20.627 233 HG LEU 28 HG LEU 28 8.284 -18.295 20.445 234 HD11 LEU 28 HD11 LEU 28 6.588 -20.190 22.055 235 HD12 LEU 28 HD12 LEU 28 6.121 -19.084 20.765 236 HD13 LEU 28 HD13 LEU 28 6.452 -18.458 22.374 237 HD21 LEU 28 HD21 LEU 28 9.188 -19.281 23.154 238 HD22 LEU 28 HD22 LEU 28 8.438 -17.700 22.940 239 HD23 LEU 28 HD23 LEU 28 9.952 -18.075 22.117 240 H ALA 29 HN ALA 29 10.167 -20.780 17.974 241 HA ALA 29 HA ALA 29 9.908 -18.129 16.961 242 HB1 ALA 29 HB1 ALA 29 11.776 -18.676 15.546 243 HB2 ALA 29 HB2 ALA 29 11.503 -20.405 15.772 244 HB3 ALA 29 HB3 ALA 29 12.058 -19.415 17.122 245 H LYS 30 HN LYS 30 8.998 -21.318 15.755 246 HA LYS 30 HA LYS 30 8.399 -20.792 13.131 247 HB2 LYS 30 HB2 LYS 30 6.955 -22.519 15.145 248 HB3 LYS 30 HB1 LYS 30 6.521 -22.495 13.437 249 HG2 LYS 30 HG2 LYS 30 9.401 -22.924 14.202 250 HG3 LYS 30 HG1 LYS 30 8.274 -24.270 14.328 251 HD2 LYS 30 HD2 LYS 30 7.657 -23.975 11.970 252 HD3 LYS 30 HD1 LYS 30 8.775 -22.623 11.830 253 HE2 LYS 30 HE2 LYS 30 10.641 -24.140 12.469 254 HE3 LYS 30 HE1 LYS 30 9.501 -25.488 12.488 255 HZ1 LYS 30 HZ1 LYS 30 9.663 -23.779 10.106 256 HZ2 LYS 30 HZ2 LYS 30 9.229 -25.416 10.231 257 HZ3 LYS 30 HZ3 LYS 30 10.860 -24.955 10.355 258 H LEU 31 HN LEU 31 6.846 -19.566 15.931 259 HA LEU 31 HA LEU 31 4.326 -18.927 14.866 260 HB2 LEU 31 HB2 LEU 31 5.989 -17.806 17.104 261 HB3 LEU 31 HB1 LEU 31 4.469 -17.038 16.671 262 HG LEU 31 HG LEU 31 4.259 -18.774 18.491 263 HD11 LEU 31 HD11 LEU 31 2.148 -19.361 17.778 264 HD12 LEU 31 HD12 LEU 31 2.692 -19.892 16.194 265 HD13 LEU 31 HD13 LEU 31 2.479 -18.174 16.524 266 HD21 LEU 31 HD21 LEU 31 6.009 -20.289 17.353 267 HD22 LEU 31 HD22 LEU 31 4.708 -20.791 16.278 268 HD23 LEU 31 HD23 LEU 31 4.583 -21.092 18.010 269 H GLN 32 HN GLN 32 7.400 -17.222 14.813 270 HA GLN 32 HA GLN 32 6.484 -14.788 13.744 271 HB2 GLN 32 HB2 GLN 32 8.764 -15.181 14.683 272 HB3 GLN 32 HB1 GLN 32 9.153 -16.129 13.247 273 HG2 GLN 32 HG2 GLN 32 9.970 -13.877 12.902 274 HG3 GLN 32 HG1 GLN 32 8.580 -14.114 11.849 275 HE21 GLN 32 HE21 GLN 32 8.314 -11.704 11.899 276 HE22 GLN 32 HE22 GLN 32 7.561 -10.984 13.239 277 H ARG 33 HN ARG 33 7.657 -17.748 12.145 278 HA ARG 33 HA ARG 33 7.333 -16.746 9.496 279 HB2 ARG 33 HB2 ARG 33 8.807 -18.657 10.044 280 HB3 ARG 33 HB1 ARG 33 7.384 -19.618 10.452 281 HG2 ARG 33 HG2 ARG 33 6.536 -19.400 8.170 282 HG3 ARG 33 HG1 ARG 33 7.883 -18.343 7.746 283 HD2 ARG 33 HD2 ARG 33 8.237 -21.175 8.745 284 HD3 ARG 33 HD1 ARG 33 8.161 -20.754 7.037 285 HE ARG 33 HE ARG 33 10.108 -19.104 8.057 286 HH11 ARG 33 HH21 ARG 33 9.478 -22.505 8.047 287 HH12 ARG 33 HH22 ARG 33 11.150 -22.956 8.058 288 HH21 ARG 33 HH11 ARG 33 12.304 -19.685 8.069 289 HH22 ARG 33 HH12 ARG 33 12.751 -21.359 8.070 290 H ILE 34 HN ILE 34 5.321 -18.725 11.632 291 HA ILE 34 HA ILE 34 3.241 -19.235 9.794 292 HB ILE 34 HB ILE 34 3.256 -19.089 12.812 293 HG12 ILE 34 HG12 ILE 34 3.057 -21.490 10.979 294 HG13 ILE 34 HG11 ILE 34 4.601 -20.886 11.576 295 HG21 ILE 34 HG21 ILE 34 0.986 -18.724 12.232 296 HG22 ILE 34 HG22 ILE 34 1.093 -20.462 12.511 297 HG23 ILE 34 HG23 ILE 34 1.071 -19.832 10.863 298 HD11 ILE 34 HD11 ILE 34 2.326 -21.528 13.457 299 HD12 ILE 34 HD12 ILE 34 4.041 -21.353 13.831 300 HD13 ILE 34 HD13 ILE 34 3.474 -22.761 12.937 301 H HIS 35 HN HIS 35 3.756 -16.631 12.146 302 HA HIS 35 HA HIS 35 1.357 -15.297 12.039 303 HB2 HIS 35 HB2 HIS 35 3.292 -14.617 13.438 304 HB3 HIS 35 HB1 HIS 35 4.103 -14.019 11.988 305 HD2 HIS 35 HD2 HIS 35 0.366 -13.328 13.216 306 HE1 HIS 35 HE1 HIS 35 2.268 -9.655 12.370 307 HE2 HIS 35 HE2 HIS 35 0.089 -10.734 13.103 308 H ASN 36 HN ASN 36 4.149 -14.451 9.973 309 HA ASN 36 HA ASN 36 2.599 -12.885 8.175 310 HB2 ASN 36 HB2 ASN 36 4.986 -12.505 8.418 311 HB3 ASN 36 HB1 ASN 36 5.334 -14.137 7.853 312 HD21 ASN 36 HD21 ASN 36 6.408 -13.591 5.884 313 HD22 ASN 36 HD22 ASN 36 5.644 -12.761 4.616 314 H SER 37 HN SER 37 3.788 -16.212 8.091 315 HA SER 37 HA SER 37 2.617 -16.714 5.477 316 HB2 SER 37 HB2 SER 37 3.823 -18.733 7.369 317 HB3 SER 37 HB1 SER 37 3.599 -18.880 5.631 318 HG SER 37 HG SER 37 5.752 -18.286 6.248 319 H ASN 38 HN ASN 38 1.033 -16.065 8.030 320 HA ASN 38 HA ASN 38 -0.385 -18.179 9.030 321 HB2 ASN 38 HB2 ASN 38 -2.304 -16.611 9.263 322 HB3 ASN 38 HB1 ASN 38 -0.780 -15.911 9.802 323 HD21 ASN 38 HD21 ASN 38 -2.128 -13.826 9.321 324 HD22 ASN 38 HD22 ASN 38 -2.038 -13.219 7.739 325 H ILE 39 HN ILE 39 -2.085 -19.459 8.392 326 HA ILE 39 HA ILE 39 -3.059 -20.788 6.734 327 HB ILE 39 HB ILE 39 -4.983 -19.553 5.749 328 HG12 ILE 39 HG12 ILE 39 -3.891 -17.251 7.333 329 HG13 ILE 39 HG11 ILE 39 -3.695 -17.406 5.593 330 HG21 ILE 39 HG21 ILE 39 -4.957 -20.600 8.055 331 HG22 ILE 39 HG22 ILE 39 -6.099 -19.271 7.858 332 HG23 ILE 39 HG23 ILE 39 -4.570 -19.000 8.692 333 HD11 ILE 39 HD11 ILE 39 -5.647 -16.005 6.128 334 HD12 ILE 39 HD12 ILE 39 -6.328 -17.329 7.077 335 HD13 ILE 39 HD13 ILE 39 -6.141 -17.500 5.333 336 H LEU 40 HN LEU 40 -0.623 -20.205 5.723 337 HA LEU 40 HA LEU 40 -1.086 -19.186 2.998 338 HB2 LEU 40 HB2 LEU 40 0.782 -18.203 4.364 339 HB3 LEU 40 HB1 LEU 40 1.552 -19.790 4.360 340 HG LEU 40 HG LEU 40 1.503 -19.741 1.847 341 HD11 LEU 40 HD11 LEU 40 0.205 -17.089 2.406 342 HD12 LEU 40 HD12 LEU 40 -0.133 -18.261 1.134 343 HD13 LEU 40 HD13 LEU 40 1.273 -17.215 1.006 344 HD21 LEU 40 HD21 LEU 40 3.436 -18.377 1.638 345 HD22 LEU 40 HD22 LEU 40 3.456 -18.948 3.306 346 HD23 LEU 40 HD23 LEU 40 2.917 -17.309 2.940 347 H ASP 41 HN ASP 41 -1.020 -20.494 1.280 348 HA ASP 41 HA ASP 41 -1.354 -23.178 1.335 349 HB2 ASP 41 HB2 ASP 41 0.109 -21.569 -0.753 350 HB3 ASP 41 HB1 ASP 41 -0.401 -23.240 -0.982 351 H GLU 42 HN GLU 42 1.697 -21.493 1.528 352 HA GLU 42 HA GLU 42 3.309 -23.857 1.316 353 HB2 GLU 42 HB2 GLU 42 3.879 -21.053 2.246 354 HB3 GLU 42 HB1 GLU 42 5.110 -22.315 2.179 355 HG2 GLU 42 HG2 GLU 42 4.678 -22.612 -0.230 356 HG3 GLU 42 HG1 GLU 42 3.439 -21.360 -0.163 357 H ARG 43 HN ARG 43 2.093 -21.861 3.974 358 HA ARG 43 HA ARG 43 3.465 -23.315 5.999 359 HB2 ARG 43 HB2 ARG 43 2.612 -20.967 6.230 360 HB3 ARG 43 HB1 ARG 43 0.974 -21.622 6.290 361 HG2 ARG 43 HG2 ARG 43 2.911 -22.899 8.186 362 HG3 ARG 43 HG1 ARG 43 2.527 -21.214 8.524 363 HD2 ARG 43 HD2 ARG 43 0.329 -23.194 7.968 364 HD3 ARG 43 HD1 ARG 43 1.032 -23.050 9.577 365 HE ARG 43 HE ARG 43 0.150 -20.557 8.345 366 HH11 ARG 43 HH21 ARG 43 -0.535 -23.250 10.398 367 HH12 ARG 43 HH22 ARG 43 -1.789 -22.443 11.274 368 HH21 ARG 43 HH11 ARG 43 -1.501 -19.490 9.485 369 HH22 ARG 43 HH12 ARG 43 -2.337 -20.313 10.756 370 H GLN 44 HN GLN 44 0.555 -23.841 4.232 371 HA GLN 44 HA GLN 44 -1.010 -25.298 5.990 372 HB2 GLN 44 HB2 GLN 44 -0.553 -25.599 3.025 373 HB3 GLN 44 HB1 GLN 44 -1.730 -26.581 3.895 374 HG2 GLN 44 HG2 GLN 44 -2.827 -24.505 4.703 375 HG3 GLN 44 HG1 GLN 44 -1.681 -23.555 3.760 376 HE21 GLN 44 HE21 GLN 44 -4.040 -22.926 2.864 377 HE22 GLN 44 HE22 GLN 44 -4.533 -23.811 1.502 378 H GLY 45 HN GLY 45 1.795 -26.368 4.113 379 HA2 GLY 45 HA2 GLY 45 1.601 -29.116 4.842 380 HA3 GLY 45 HA1 GLY 45 3.021 -28.315 4.170 381 H LEU 46 HN LEU 46 3.445 -26.351 6.092 382 HA LEU 46 HA LEU 46 4.855 -27.814 8.048 383 HB2 LEU 46 HB2 LEU 46 5.142 -25.322 7.098 384 HB3 LEU 46 HB1 LEU 46 4.199 -24.926 8.534 385 HG LEU 46 HG LEU 46 6.768 -26.542 8.516 386 HD11 LEU 46 HD11 LEU 46 7.247 -24.228 8.036 387 HD12 LEU 46 HD12 LEU 46 7.659 -24.536 9.720 388 HD13 LEU 46 HD13 LEU 46 6.166 -23.689 9.322 389 HD21 LEU 46 HD21 LEU 46 4.778 -25.806 10.654 390 HD22 LEU 46 HD22 LEU 46 6.492 -25.922 11.076 391 HD23 LEU 46 HD23 LEU 46 5.655 -27.314 10.408 392 H MET 47 HN MET 47 1.744 -26.207 8.010 393 HA MET 47 HA MET 47 1.117 -26.043 10.686 394 HB2 MET 47 HB2 MET 47 -0.311 -25.340 8.700 395 HB3 MET 47 HB1 MET 47 -0.831 -27.021 8.590 396 HG2 MET 47 HG2 MET 47 -1.390 -26.761 11.135 397 HG3 MET 47 HG1 MET 47 -1.334 -25.031 10.788 398 HE1 MET 47 HE1 MET 47 -2.496 -24.800 7.767 399 HE2 MET 47 HE2 MET 47 -2.571 -23.812 9.223 400 HE3 MET 47 HE3 MET 47 -4.059 -24.270 8.401 401 H HIS 48 HN HIS 48 0.825 -28.873 8.549 402 HA HIS 48 HA HIS 48 -0.348 -30.616 10.426 403 HB2 HIS 48 HB2 HIS 48 1.412 -31.148 8.027 404 HB3 HIS 48 HB1 HIS 48 0.629 -32.424 8.959 405 HD2 HIS 48 HD2 HIS 48 -2.189 -32.594 8.615 406 HE1 HIS 48 HE1 HIS 48 -2.454 -29.599 5.652 407 HE2 HIS 48 HE2 HIS 48 -3.730 -31.438 6.852 408 H GLU 49 HN GLU 49 3.070 -30.141 9.539 409 HA GLU 49 HA GLU 49 4.095 -32.014 11.405 410 HB2 GLU 49 HB2 GLU 49 5.393 -31.220 9.469 411 HB3 GLU 49 HB1 GLU 49 5.452 -29.607 10.172 412 HG2 GLU 49 HG2 GLU 49 6.679 -30.452 12.109 413 HG3 GLU 49 HG1 GLU 49 6.547 -32.101 11.500 414 H LEU 50 HN LEU 50 3.174 -28.655 11.618 415 HA LEU 50 HA LEU 50 4.534 -27.997 13.978 416 HB2 LEU 50 HB2 LEU 50 3.059 -26.554 12.265 417 HB3 LEU 50 HB1 LEU 50 1.793 -26.862 13.451 418 HG LEU 50 HG LEU 50 2.901 -24.772 14.024 419 HD11 LEU 50 HD11 LEU 50 2.299 -26.544 15.832 420 HD12 LEU 50 HD12 LEU 50 3.350 -25.205 16.298 421 HD13 LEU 50 HD13 LEU 50 4.042 -26.782 15.945 422 HD21 LEU 50 HD21 LEU 50 5.179 -25.901 12.928 423 HD22 LEU 50 HD22 LEU 50 5.553 -25.959 14.640 424 HD23 LEU 50 HD23 LEU 50 5.156 -24.422 13.875 425 H MET 51 HN MET 51 1.286 -29.313 13.452 426 HA MET 51 HA MET 51 0.548 -29.383 16.181 427 HB2 MET 51 HB2 MET 51 -1.070 -29.538 14.309 428 HB3 MET 51 HB1 MET 51 -0.434 -31.133 13.915 429 HG2 MET 51 HG2 MET 51 -1.421 -30.547 16.704 430 HG3 MET 51 HG1 MET 51 -2.556 -30.976 15.425 431 HE1 MET 51 HE1 MET 51 -1.809 -33.047 13.690 432 HE2 MET 51 HE2 MET 51 -3.172 -33.160 14.800 433 HE3 MET 51 HE3 MET 51 -2.080 -34.530 14.616 434 H GLU 52 HN GLU 52 1.995 -31.803 14.032 435 HA GLU 52 HA GLU 52 2.044 -33.889 15.971 436 HB2 GLU 52 HB2 GLU 52 3.646 -33.488 13.433 437 HB3 GLU 52 HB1 GLU 52 3.637 -34.973 14.386 438 HG2 GLU 52 HG2 GLU 52 1.134 -33.699 13.251 439 HG3 GLU 52 HG1 GLU 52 2.033 -34.977 12.434 440 H LEU 53 HN LEU 53 4.355 -31.428 14.951 441 HA LEU 53 HA LEU 53 6.574 -32.385 16.370 442 HB2 LEU 53 HB2 LEU 53 6.793 -30.658 14.658 443 HB3 LEU 53 HB1 LEU 53 5.833 -29.540 15.626 444 HG LEU 53 HG LEU 53 7.552 -29.586 17.402 445 HD11 LEU 53 HD11 LEU 53 8.553 -31.696 17.338 446 HD12 LEU 53 HD12 LEU 53 9.807 -30.699 16.608 447 HD13 LEU 53 HD13 LEU 53 8.748 -31.673 15.587 448 HD21 LEU 53 HD21 LEU 53 8.913 -29.106 14.751 449 HD22 LEU 53 HD22 LEU 53 9.187 -28.277 16.283 450 HD23 LEU 53 HD23 LEU 53 7.684 -28.017 15.398 451 H ILE 54 HN ILE 54 3.987 -30.159 17.298 452 HA ILE 54 HA ILE 54 5.006 -29.462 19.816 453 HB ILE 54 HB ILE 54 2.189 -29.530 18.760 454 HG12 ILE 54 HG12 ILE 54 4.133 -27.908 17.946 455 HG13 ILE 54 HG11 ILE 54 2.521 -27.281 18.256 456 HG21 ILE 54 HG21 ILE 54 3.279 -28.650 21.443 457 HG22 ILE 54 HG22 ILE 54 1.891 -29.680 21.119 458 HG23 ILE 54 HG23 ILE 54 1.803 -27.952 20.782 459 HD11 ILE 54 HD11 ILE 54 4.545 -26.003 19.281 460 HD12 ILE 54 HD12 ILE 54 4.570 -27.313 20.462 461 HD13 ILE 54 HD13 ILE 54 3.139 -26.304 20.298 462 H ASP 55 HN ASP 55 2.877 -32.080 18.788 463 HA ASP 55 HA ASP 55 2.178 -33.071 21.296 464 HB2 ASP 55 HB2 ASP 55 2.500 -34.449 18.629 465 HB3 ASP 55 HB1 ASP 55 1.842 -35.246 20.057 466 H LEU 56 HN LEU 56 5.079 -33.438 19.392 467 HA LEU 56 HA LEU 56 6.130 -35.547 21.082 468 HB2 LEU 56 HB2 LEU 56 7.399 -33.957 18.846 469 HB3 LEU 56 HB1 LEU 56 8.149 -35.330 19.661 470 HG LEU 56 HG LEU 56 5.477 -35.453 18.232 471 HD11 LEU 56 HD11 LEU 56 8.151 -36.515 17.287 472 HD12 LEU 56 HD12 LEU 56 7.444 -35.002 16.719 473 HD13 LEU 56 HD13 LEU 56 6.626 -36.534 16.404 474 HD21 LEU 56 HD21 LEU 56 5.435 -37.254 19.711 475 HD22 LEU 56 HD22 LEU 56 7.188 -37.441 19.716 476 HD23 LEU 56 HD23 LEU 56 6.244 -38.003 18.338 477 H TYR 57 HN TYR 57 6.320 -32.094 20.800 478 HA TYR 57 HA TYR 57 8.619 -31.893 22.582 479 HB2 TYR 57 HB2 TYR 57 6.970 -29.979 20.970 480 HB3 TYR 57 HB1 TYR 57 7.895 -29.342 22.328 481 HD1 TYR 57 HD1 TYR 57 8.537 -32.001 19.741 482 HD2 TYR 57 HD2 TYR 57 9.897 -28.378 21.610 483 HE1 TYR 57 HE1 TYR 57 10.604 -32.070 18.377 484 HE2 TYR 57 HE2 TYR 57 11.956 -28.446 20.240 485 HH TYR 57 HH TYR 57 13.258 -29.867 18.953 486 H GLU 58 HN GLU 58 5.156 -31.728 22.750 487 HA GLU 58 HA GLU 58 4.931 -30.272 25.143 488 HB2 GLU 58 HB2 GLU 58 2.671 -30.833 25.102 489 HB3 GLU 58 HB1 GLU 58 3.107 -30.977 23.411 490 HG2 GLU 58 HG2 GLU 58 3.545 -33.441 23.852 491 HG3 GLU 58 HG1 GLU 58 2.783 -33.218 25.418 492 H GLU 59 HN GLU 59 5.371 -33.688 24.459 493 HA GLU 59 HA GLU 59 5.245 -34.401 27.289 494 HB2 GLU 59 HB2 GLU 59 4.225 -35.852 25.506 495 HB3 GLU 59 HB1 GLU 59 5.857 -36.190 24.926 496 HG2 GLU 59 HG2 GLU 59 6.480 -37.184 27.040 497 HG3 GLU 59 HG1 GLU 59 4.967 -36.672 27.784 498 H SER 60 HN SER 60 7.554 -33.410 24.996 499 HA SER 60 HA SER 60 9.796 -34.918 25.684 500 HB2 SER 60 HB2 SER 60 9.970 -33.500 23.791 501 HB3 SER 60 HB1 SER 60 9.491 -32.083 24.718 502 HG SER 60 HG SER 60 11.871 -33.593 25.045 503 H GLN 61 HN GLN 61 8.988 -31.670 26.903 504 HA GLN 61 HA GLN 61 10.624 -32.244 29.303 505 HB2 GLN 61 HB2 GLN 61 10.660 -30.044 27.526 506 HB3 GLN 61 HB1 GLN 61 9.932 -29.428 29.004 507 HG2 GLN 61 HG2 GLN 61 12.297 -29.134 29.201 508 HG3 GLN 61 HG1 GLN 61 11.845 -30.462 30.269 509 HE21 GLN 61 HE21 GLN 61 11.523 -31.714 27.206 510 HE22 GLN 61 HE22 GLN 61 13.075 -32.377 27.014 511 HA PRO 62 HA PRO 62 6.614 -30.611 31.063 512 HB2 PRO 62 HB2 PRO 62 4.683 -29.579 29.397 513 HB3 PRO 62 HB1 PRO 62 6.100 -28.652 29.901 514 HG2 PRO 62 HG2 PRO 62 5.470 -29.772 27.270 515 HG3 PRO 62 HG1 PRO 62 6.649 -28.533 27.695 516 HD2 PRO 62 HD2 PRO 62 7.134 -31.362 27.199 517 HD3 PRO 62 HD1 PRO 62 8.296 -30.071 27.479 518 H SER 63 HN SER 63 6.739 -33.131 30.829 519 HA SER 63 HA SER 63 4.382 -34.304 29.558 520 HB2 SER 63 HB2 SER 63 5.311 -36.422 30.175 521 HB3 SER 63 HB1 SER 63 6.618 -35.443 29.520 522 HG SER 63 HG SER 63 7.506 -36.045 31.356 523 H SER 64 HN SER 64 4.994 -32.664 32.353 524 HA SER 64 HA SER 64 3.634 -34.315 34.263 525 HB2 SER 64 HB2 SER 64 4.484 -31.423 34.240 526 HB3 SER 64 HB1 SER 64 3.570 -32.112 35.579 527 HG SER 64 HG SER 64 5.329 -33.828 35.393 528 H GLU 65 HN GLU 65 2.228 -33.715 31.725 529 HA GLU 65 HA GLU 65 0.027 -33.481 31.117 530 HB2 GLU 65 HB2 GLU 65 -0.281 -34.290 33.604 531 HB3 GLU 65 HB1 GLU 65 -0.722 -32.610 33.904 532 HG2 GLU 65 HG2 GLU 65 -2.765 -33.728 33.409 533 HG3 GLU 65 HG1 GLU 65 -2.346 -32.827 31.953 534 H ARG 66 HN ARG 66 2.069 -31.163 32.091 535 HA ARG 66 HA ARG 66 0.430 -28.849 32.275 536 HB2 ARG 66 HB2 ARG 66 3.323 -29.066 31.421 537 HB3 ARG 66 HB1 ARG 66 2.509 -27.611 31.988 538 HG2 ARG 66 HG2 ARG 66 2.644 -30.104 33.685 539 HG3 ARG 66 HG1 ARG 66 3.933 -28.905 33.711 540 HD2 ARG 66 HD2 ARG 66 2.195 -27.164 34.257 541 HD3 ARG 66 HD1 ARG 66 1.016 -28.459 34.411 542 HE ARG 66 HE ARG 66 3.212 -27.882 36.241 543 HH11 ARG 66 HH21 ARG 66 0.697 -30.018 35.187 544 HH12 ARG 66 HH22 ARG 66 0.631 -30.895 36.677 545 HH21 ARG 66 HH11 ARG 66 3.132 -29.030 38.191 546 HH22 ARG 66 HH12 ARG 66 2.012 -30.338 38.377 547 H LEU 67 HN LEU 67 1.328 -30.817 29.660 548 HA LEU 67 HA LEU 67 1.513 -29.030 27.533 549 HB2 LEU 67 HB2 LEU 67 0.629 -30.885 26.139 550 HB3 LEU 67 HB1 LEU 67 1.934 -31.380 27.219 551 HG LEU 67 HG LEU 67 -0.337 -31.800 28.803 552 HD11 LEU 67 HD11 LEU 67 -1.661 -31.337 26.664 553 HD12 LEU 67 HD12 LEU 67 -2.024 -32.844 27.504 554 HD13 LEU 67 HD13 LEU 67 -1.014 -32.860 26.059 555 HD21 LEU 67 HD21 LEU 67 1.132 -33.715 26.973 556 HD22 LEU 67 HD22 LEU 67 0.039 -34.217 28.261 557 HD23 LEU 67 HD23 LEU 67 1.523 -33.345 28.651 558 H ASN 68 HN ASN 68 -1.160 -29.785 29.553 559 HA ASN 68 HA ASN 68 -3.351 -29.324 27.883 560 HB2 ASN 68 HB2 ASN 68 -3.602 -30.131 30.182 561 HB3 ASN 68 HB1 ASN 68 -3.004 -28.594 30.804 562 HD21 ASN 68 HD21 ASN 68 -5.488 -29.214 31.715 563 HD22 ASN 68 HD22 ASN 68 -6.690 -28.329 30.905 564 H ALA 69 HN ALA 69 -1.226 -27.062 29.575 565 HA ALA 69 HA ALA 69 -2.692 -24.706 28.961 566 HB1 ALA 69 HB1 ALA 69 -0.432 -23.587 29.376 567 HB2 ALA 69 HB2 ALA 69 0.194 -25.207 29.689 568 HB3 ALA 69 HB3 ALA 69 -1.087 -24.544 30.705 569 H PHE 70 HN PHE 70 -0.169 -26.514 27.301 570 HA PHE 70 HA PHE 70 0.124 -24.563 25.186 571 HB2 PHE 70 HB2 PHE 70 1.188 -27.357 25.618 572 HB3 PHE 70 HB1 PHE 70 1.476 -26.459 24.128 573 HD1 PHE 70 HD2 PHE 70 2.123 -26.578 27.761 574 HD2 PHE 70 HD1 PHE 70 2.917 -24.504 24.085 575 HE1 PHE 70 HE2 PHE 70 3.976 -25.345 28.856 576 HE2 PHE 70 HE1 PHE 70 4.768 -23.270 25.180 577 HZ PHE 70 HZ PHE 70 5.299 -23.691 27.566 578 H ARG 71 HN ARG 71 -1.986 -27.146 25.906 579 HA ARG 71 HA ARG 71 -2.635 -28.115 23.365 580 HB2 ARG 71 HB2 ARG 71 -3.432 -29.101 25.513 581 HB3 ARG 71 HB1 ARG 71 -4.528 -27.732 25.689 582 HG2 ARG 71 HG2 ARG 71 -5.604 -28.314 23.541 583 HG3 ARG 71 HG1 ARG 71 -4.523 -29.700 23.388 584 HD2 ARG 71 HD2 ARG 71 -5.407 -30.545 25.580 585 HD3 ARG 71 HD1 ARG 71 -6.579 -29.230 25.561 586 HE ARG 71 HE ARG 71 -6.782 -30.616 23.123 587 HH11 ARG 71 HH21 ARG 71 -7.275 -31.084 26.517 588 HH12 ARG 71 HH22 ARG 71 -8.557 -32.230 26.312 589 HH21 ARG 71 HH11 ARG 71 -8.463 -32.116 22.847 590 HH22 ARG 71 HH12 ARG 71 -9.231 -32.814 24.235 591 H GLU 72 HN GLU 72 -3.404 -25.125 24.944 592 HA GLU 72 HA GLU 72 -5.631 -24.356 23.384 593 HB2 GLU 72 HB2 GLU 72 -3.525 -22.719 24.810 594 HB3 GLU 72 HB1 GLU 72 -4.955 -22.020 24.051 595 HG2 GLU 72 HG2 GLU 72 -5.049 -24.181 26.167 596 HG3 GLU 72 HG1 GLU 72 -5.234 -22.462 26.508 597 H LEU 73 HN LEU 73 -2.162 -24.126 22.916 598 HA LEU 73 HA LEU 73 -2.245 -22.458 20.628 599 HB2 LEU 73 HB2 LEU 73 -0.187 -22.734 21.913 600 HB3 LEU 73 HB1 LEU 73 -0.147 -24.453 21.526 601 HG LEU 73 HG LEU 73 0.105 -23.927 19.130 602 HD11 LEU 73 HD11 LEU 73 -1.015 -21.926 18.711 603 HD12 LEU 73 HD12 LEU 73 0.655 -21.367 18.705 604 HD13 LEU 73 HD13 LEU 73 -0.352 -21.124 20.133 605 HD21 LEU 73 HD21 LEU 73 2.355 -23.077 19.202 606 HD22 LEU 73 HD22 LEU 73 2.108 -24.048 20.655 607 HD23 LEU 73 HD23 LEU 73 2.064 -22.285 20.750 608 H ARG 74 HN ARG 74 -2.224 -25.955 21.079 609 HA ARG 74 HA ARG 74 -1.969 -26.697 18.385 610 HB2 ARG 74 HB2 ARG 74 -3.184 -28.071 20.777 611 HB3 ARG 74 HB1 ARG 74 -3.164 -28.830 19.186 612 HG2 ARG 74 HG2 ARG 74 -0.662 -28.471 19.135 613 HG3 ARG 74 HG1 ARG 74 -0.766 -27.923 20.810 614 HD2 ARG 74 HD2 ARG 74 -1.812 -30.605 19.880 615 HD3 ARG 74 HD1 ARG 74 -0.191 -30.378 20.513 616 HE ARG 74 HE ARG 74 -1.805 -29.294 22.431 617 HH11 ARG 74 HH21 ARG 74 -1.596 -32.307 20.763 618 HH12 ARG 74 HH22 ARG 74 -2.229 -33.241 22.078 619 HH21 ARG 74 HH11 ARG 74 -2.642 -30.503 24.167 620 HH22 ARG 74 HH12 ARG 74 -2.823 -32.218 24.005 621 H THR 75 HN THR 75 -4.712 -25.691 20.295 622 HA THR 75 HA THR 75 -6.781 -26.509 18.600 623 HB THR 75 HB THR 75 -6.626 -24.107 20.357 624 HG1 THR 75 HG1 THR 75 -7.786 -26.640 20.796 625 HG21 THR 75 HG21 THR 75 -8.419 -23.785 18.815 626 HG22 THR 75 HG22 THR 75 -9.135 -24.332 20.331 627 HG23 THR 75 HG23 THR 75 -8.934 -25.461 18.992 628 H GLN 76 HN GLN 76 -4.845 -23.547 18.650 629 HA GLN 76 HA GLN 76 -6.168 -22.184 16.576 630 HB2 GLN 76 HB2 GLN 76 -3.274 -22.093 17.465 631 HB3 GLN 76 HB1 GLN 76 -3.999 -20.953 16.331 632 HG2 GLN 76 HG2 GLN 76 -5.629 -20.260 18.019 633 HG3 GLN 76 HG1 GLN 76 -4.990 -21.451 19.152 634 HE21 GLN 76 HE21 GLN 76 -4.788 -19.138 20.333 635 HE22 GLN 76 HE22 GLN 76 -3.270 -18.396 20.161 636 H LEU 77 HN LEU 77 -3.389 -24.390 16.515 637 HA LEU 77 HA LEU 77 -2.988 -24.298 13.716 638 HB2 LEU 77 HB2 LEU 77 -2.201 -26.208 15.906 639 HB3 LEU 77 HB1 LEU 77 -1.889 -26.635 14.226 640 HG LEU 77 HG LEU 77 0.020 -25.451 15.431 641 HD11 LEU 77 HD11 LEU 77 -0.461 -25.480 12.866 642 HD12 LEU 77 HD12 LEU 77 0.705 -24.325 13.489 643 HD13 LEU 77 HD13 LEU 77 -0.916 -23.793 13.086 644 HD21 LEU 77 HD21 LEU 77 -1.650 -22.957 15.045 645 HD22 LEU 77 HD22 LEU 77 -0.141 -23.132 15.938 646 HD23 LEU 77 HD23 LEU 77 -1.623 -23.834 16.569 647 H GLU 78 HN GLU 78 -4.919 -26.366 15.786 648 HA GLU 78 HA GLU 78 -5.741 -28.187 13.793 649 HB2 GLU 78 HB2 GLU 78 -6.009 -28.460 16.293 650 HB3 GLU 78 HB1 GLU 78 -7.352 -27.319 16.200 651 HG2 GLU 78 HG2 GLU 78 -8.319 -29.506 16.061 652 HG3 GLU 78 HG1 GLU 78 -8.369 -28.837 14.431 653 H LYS 79 HN LYS 79 -7.166 -25.157 14.987 654 HA LYS 79 HA LYS 79 -9.462 -25.224 13.326 655 HB2 LYS 79 HB2 LYS 79 -8.035 -22.977 14.752 656 HB3 LYS 79 HB1 LYS 79 -9.511 -22.732 13.816 657 HG2 LYS 79 HG2 LYS 79 -10.670 -24.417 15.214 658 HG3 LYS 79 HG1 LYS 79 -9.199 -24.629 16.162 659 HD2 LYS 79 HD2 LYS 79 -9.267 -22.291 16.866 660 HD3 LYS 79 HD1 LYS 79 -10.681 -22.004 15.851 661 HE2 LYS 79 HE2 LYS 79 -10.627 -24.053 18.080 662 HE3 LYS 79 HE1 LYS 79 -11.208 -22.402 18.295 663 HZ1 LYS 79 HZ1 LYS 79 -12.290 -24.462 16.456 664 HZ2 LYS 79 HZ2 LYS 79 -12.760 -22.829 16.421 665 HZ3 LYS 79 HZ3 LYS 79 -13.065 -23.776 17.800 666 H ALA 80 HN ALA 80 -6.237 -23.839 12.979 667 HA ALA 80 HA ALA 80 -6.637 -22.382 10.634 668 HB1 ALA 80 HB1 ALA 80 -4.290 -22.320 10.411 669 HB2 ALA 80 HB2 ALA 80 -4.089 -23.900 11.170 670 HB3 ALA 80 HB3 ALA 80 -4.547 -22.506 12.146 671 H LEU 81 HN LEU 81 -6.005 -25.798 11.139 672 HA LEU 81 HA LEU 81 -5.537 -26.512 8.453 673 HB2 LEU 81 HB2 LEU 81 -5.010 -27.982 10.334 674 HB3 LEU 81 HB1 LEU 81 -6.727 -28.145 10.704 675 HG LEU 81 HG LEU 81 -6.060 -28.752 7.858 676 HD11 LEU 81 HD11 LEU 81 -5.198 -31.051 8.488 677 HD12 LEU 81 HD12 LEU 81 -4.932 -30.420 10.113 678 HD13 LEU 81 HD13 LEU 81 -4.066 -29.722 8.745 679 HD21 LEU 81 HD21 LEU 81 -8.268 -29.129 9.127 680 HD22 LEU 81 HD22 LEU 81 -7.456 -30.477 9.919 681 HD23 LEU 81 HD23 LEU 81 -7.672 -30.486 8.170 682 H GLY 82 HN GLY 82 -8.365 -25.543 10.095 683 HA2 GLY 82 HA2 GLY 82 -10.335 -26.925 8.593 684 HA3 GLY 82 HA1 GLY 82 -10.583 -25.426 9.487 685 H LEU 83 HN LEU 83 -8.325 -24.180 7.942 686 HA LEU 83 HA LEU 83 -8.181 -22.725 6.164 687 HB2 LEU 83 HB2 LEU 83 -9.374 -25.112 4.730 688 HB3 LEU 83 HB1 LEU 83 -8.549 -23.759 3.955 689 HG LEU 83 HG LEU 83 -7.299 -25.603 6.013 690 HD11 LEU 83 HD11 LEU 83 -6.100 -26.618 4.189 691 HD12 LEU 83 HD12 LEU 83 -6.739 -25.440 3.043 692 HD13 LEU 83 HD13 LEU 83 -7.812 -26.642 3.760 693 HD21 LEU 83 HD21 LEU 83 -6.063 -23.633 6.203 694 HD22 LEU 83 HD22 LEU 83 -6.356 -23.155 4.531 695 HD23 LEU 83 HD23 LEU 83 -5.188 -24.425 4.897 696 H GLU 84 HN GLU 84 -10.731 -22.853 7.735 697 HA GLU 84 HA GLU 84 -12.883 -22.324 5.935 698 HB2 GLU 84 HB2 GLU 84 -12.509 -21.604 8.854 699 HB3 GLU 84 HB1 GLU 84 -14.022 -21.440 7.961 700 HG2 GLU 84 HG2 GLU 84 -12.505 -24.043 8.274 701 HG3 GLU 84 HG1 GLU 84 -13.878 -23.571 9.274 702 H HIS 85 HN HIS 85 -13.658 -20.409 5.151 703 HA HIS 85 HA HIS 85 -11.816 -18.117 5.286 704 HB2 HIS 85 HB2 HIS 85 -14.145 -18.787 3.479 705 HB3 HIS 85 HB1 HIS 85 -13.290 -17.245 3.430 706 HD2 HIS 85 HD2 HIS 85 -10.606 -17.400 2.438 707 HE1 HIS 85 HE1 HIS 85 -10.863 -21.430 1.204 708 HE2 HIS 85 HE2 HIS 85 -9.454 -19.320 1.094 709 H HIS 86 HN HIS 86 -12.398 -17.539 7.465 710 HA HIS 86 HA HIS 86 -15.128 -16.560 7.907 711 HB2 HIS 86 HB2 HIS 86 -12.705 -16.866 9.689 712 HB3 HIS 86 HB1 HIS 86 -14.163 -16.024 10.212 713 HD2 HIS 86 HD2 HIS 86 -16.559 -17.757 10.140 714 HE1 HIS 86 HE1 HIS 86 -14.289 -21.310 10.367 715 HE2 HIS 86 HE2 HIS 86 -16.625 -20.332 10.569 716 H HIS 87 HN HIS 87 -12.349 -15.386 6.518 717 HA HIS 87 HA HIS 87 -12.026 -12.824 7.600 718 HB2 HIS 87 HB2 HIS 87 -11.729 -13.627 4.695 719 HB3 HIS 87 HB1 HIS 87 -10.993 -12.228 5.477 720 HD2 HIS 87 HD2 HIS 87 -10.188 -15.922 4.864 721 HE1 HIS 87 HE1 HIS 87 -7.559 -14.636 7.907 722 HE2 HIS 87 HE2 HIS 87 -8.068 -16.510 6.270 723 H HIS 88 HN HIS 88 -13.932 -13.744 4.707 724 HA HIS 88 HA HIS 88 -15.523 -12.499 3.549 725 HB2 HIS 88 HB2 HIS 88 -16.776 -13.747 5.265 726 HB3 HIS 88 HB1 HIS 88 -16.599 -12.387 6.374 727 HD2 HIS 88 HD2 HIS 88 -18.338 -13.058 2.860 728 HE1 HIS 88 HE1 HIS 88 -20.214 -9.767 4.726 729 HE2 HIS 88 HE2 HIS 88 -20.275 -11.313 2.712 730 H HIS 89 HN HIS 89 -14.398 -10.646 2.886 731 HA HIS 89 HA HIS 89 -15.189 -8.173 4.270 732 HB2 HIS 89 HB2 HIS 89 -12.927 -8.837 5.134 733 HB3 HIS 89 HB1 HIS 89 -12.317 -8.731 3.482 734 HD2 HIS 89 HD2 HIS 89 -11.409 -6.200 2.879 735 HE1 HIS 89 HE1 HIS 89 -13.611 -4.055 5.770 736 HE2 HIS 89 HE2 HIS 89 -11.879 -3.855 3.924 737 H HIS 90 HN HIS 90 -15.495 -6.449 2.878 738 HA HIS 90 HA HIS 90 -15.674 -7.083 0.070 739 HB2 HIS 90 HB2 HIS 90 -16.120 -4.459 1.520 740 HB3 HIS 90 HB1 HIS 90 -16.509 -4.773 -0.172 741 HD2 HIS 90 HD2 HIS 90 -18.096 -5.282 3.300 742 HE1 HIS 90 HE1 HIS 90 -20.384 -7.566 0.584 743 HE2 HIS 90 HE2 HIS 90 -20.283 -6.668 2.957 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -6.568 -16.137 24.723 2 H2 MET 1 HT2 MET 1 -7.797 -17.286 24.958 3 H3 MET 1 HT3 MET 1 -8.032 -15.995 23.878 4 HA MET 1 HA MET 1 -5.902 -18.017 23.506 5 HB2 MET 1 HB2 MET 1 -7.600 -18.842 21.692 6 HB3 MET 1 HB1 MET 1 -7.831 -19.352 23.364 7 HG2 MET 1 HG2 MET 1 -9.481 -17.585 23.718 8 HG3 MET 1 HG1 MET 1 -9.201 -16.966 22.090 9 HE1 MET 1 HE1 MET 1 -12.070 -17.754 23.275 10 HE2 MET 1 HE2 MET 1 -12.745 -18.420 21.790 11 HE3 MET 1 HE3 MET 1 -11.696 -17.006 21.717 12 H GLY 2 HN GLY 2 -4.826 -17.749 21.556 13 HA2 GLY 2 HA2 GLY 2 -5.652 -16.022 19.467 14 HA3 GLY 2 HA1 GLY 2 -4.526 -15.174 20.525 15 H VAL 3 HN VAL 3 -4.466 -16.453 17.683 16 HA VAL 3 HA VAL 3 -2.515 -18.505 17.718 17 HB VAL 3 HB VAL 3 -3.935 -18.038 15.760 18 HG11 VAL 3 HG11 VAL 3 -3.556 -16.080 14.383 19 HG12 VAL 3 HG12 VAL 3 -2.214 -15.567 15.406 20 HG13 VAL 3 HG13 VAL 3 -3.863 -15.536 16.033 21 HG21 VAL 3 HG21 VAL 3 -1.035 -17.542 15.053 22 HG22 VAL 3 HG22 VAL 3 -2.244 -18.410 14.107 23 HG23 VAL 3 HG23 VAL 3 -1.621 -19.113 15.600 24 H TRP 4 HN TRP 4 -2.319 -15.008 17.719 25 HA TRP 4 HA TRP 4 0.523 -14.906 17.251 26 HB2 TRP 4 HB2 TRP 4 -0.002 -12.449 18.217 27 HB3 TRP 4 HB1 TRP 4 -0.428 -12.912 16.569 28 HD1 TRP 4 HD1 TRP 4 -1.993 -12.717 20.081 29 HE1 TRP 4 HE1 TRP 4 -4.534 -12.377 19.815 30 HE3 TRP 4 HE3 TRP 4 -2.397 -13.056 15.003 31 HZ2 TRP 4 HZ2 TRP 4 -6.482 -12.263 17.721 32 HZ3 TRP 4 HZ3 TRP 4 -4.605 -12.830 13.900 33 HH2 TRP 4 HH2 TRP 4 -6.645 -12.435 15.251 34 H THR 5 HN THR 5 2.129 -14.912 18.693 35 HA THR 5 HA THR 5 1.607 -14.425 21.523 36 HB THR 5 HB THR 5 2.936 -16.536 22.078 37 HG1 THR 5 HG1 THR 5 2.234 -16.997 19.377 38 HG21 THR 5 HG21 THR 5 0.927 -17.932 22.010 39 HG22 THR 5 HG22 THR 5 0.212 -16.875 20.793 40 HG23 THR 5 HG23 THR 5 0.487 -16.276 22.429 41 HA PRO 6 HA PRO 6 5.631 -12.808 19.398 42 HB2 PRO 6 HB2 PRO 6 4.487 -10.438 20.861 43 HB3 PRO 6 HB1 PRO 6 5.371 -10.488 19.323 44 HG2 PRO 6 HG2 PRO 6 2.733 -10.194 19.373 45 HG3 PRO 6 HG1 PRO 6 3.525 -11.187 18.133 46 HD2 PRO 6 HD2 PRO 6 1.919 -12.065 20.497 47 HD3 PRO 6 HD1 PRO 6 2.150 -12.837 18.917 48 H GLU 7 HN GLU 7 7.226 -11.316 20.837 49 HA GLU 7 HA GLU 7 8.322 -12.756 22.854 50 HB2 GLU 7 HB2 GLU 7 8.131 -9.745 22.648 51 HB3 GLU 7 HB1 GLU 7 9.185 -10.581 23.788 52 HG2 GLU 7 HG2 GLU 7 9.252 -11.040 20.793 53 HG3 GLU 7 HG1 GLU 7 10.316 -9.916 21.634 54 H VAL 8 HN VAL 8 5.311 -11.132 22.978 55 HA VAL 8 HA VAL 8 4.887 -10.457 25.599 56 HB VAL 8 HB VAL 8 3.017 -11.964 23.738 57 HG11 VAL 8 HG11 VAL 8 2.580 -10.573 26.391 58 HG12 VAL 8 HG12 VAL 8 2.117 -12.211 25.930 59 HG13 VAL 8 HG13 VAL 8 1.268 -10.828 25.240 60 HG21 VAL 8 HG21 VAL 8 3.107 -9.011 24.408 61 HG22 VAL 8 HG22 VAL 8 2.186 -9.803 23.126 62 HG23 VAL 8 HG23 VAL 8 3.943 -9.704 23.017 63 H LEU 9 HN LEU 9 4.819 -13.705 24.155 64 HA LEU 9 HA LEU 9 4.000 -15.086 26.470 65 HB2 LEU 9 HB2 LEU 9 4.383 -15.860 23.933 66 HB3 LEU 9 HB1 LEU 9 5.939 -16.374 24.568 67 HG LEU 9 HG LEU 9 4.409 -18.238 24.740 68 HD11 LEU 9 HD11 LEU 9 5.996 -17.616 26.686 69 HD12 LEU 9 HD12 LEU 9 4.726 -18.793 27.010 70 HD13 LEU 9 HD13 LEU 9 4.534 -17.124 27.542 71 HD21 LEU 9 HD21 LEU 9 2.532 -16.931 26.657 72 HD22 LEU 9 HD22 LEU 9 2.207 -18.090 25.371 73 HD23 LEU 9 HD23 LEU 9 2.393 -16.386 24.986 74 H LYS 10 HN LYS 10 7.231 -14.314 25.212 75 HA LYS 10 HA LYS 10 8.690 -15.577 27.272 76 HB2 LYS 10 HB2 LYS 10 9.653 -14.830 25.108 77 HB3 LYS 10 HB1 LYS 10 9.487 -13.159 25.641 78 HG2 LYS 10 HG2 LYS 10 10.936 -13.649 27.598 79 HG3 LYS 10 HG1 LYS 10 11.137 -15.302 27.024 80 HD2 LYS 10 HD2 LYS 10 11.825 -12.904 25.312 81 HD3 LYS 10 HD1 LYS 10 12.993 -13.631 26.412 82 HE2 LYS 10 HE2 LYS 10 12.484 -15.860 25.227 83 HE3 LYS 10 HE1 LYS 10 11.673 -14.890 23.998 84 HZ1 LYS 10 HZ1 LYS 10 14.079 -15.394 23.582 85 HZ2 LYS 10 HZ2 LYS 10 14.447 -14.358 24.877 86 HZ3 LYS 10 HZ3 LYS 10 13.652 -13.755 23.503 87 H ALA 11 HN ALA 11 7.233 -12.404 26.948 88 HA ALA 11 HA ALA 11 8.433 -11.044 29.049 89 HB1 ALA 11 HB1 ALA 11 5.470 -10.829 28.543 90 HB2 ALA 11 HB2 ALA 11 6.631 -10.246 27.352 91 HB3 ALA 11 HB3 ALA 11 6.615 -9.559 28.976 92 H ARG 12 HN ARG 12 5.576 -13.166 29.123 93 HA ARG 12 HA ARG 12 5.199 -12.997 31.936 94 HB2 ARG 12 HB2 ARG 12 3.424 -13.722 30.380 95 HB3 ARG 12 HB1 ARG 12 4.350 -15.174 30.011 96 HG2 ARG 12 HG2 ARG 12 2.631 -15.674 31.685 97 HG3 ARG 12 HG1 ARG 12 4.229 -15.844 32.402 98 HD2 ARG 12 HD2 ARG 12 3.991 -13.926 33.704 99 HD3 ARG 12 HD1 ARG 12 2.837 -13.186 32.597 100 HE ARG 12 HE ARG 12 1.125 -14.320 33.690 101 HH11 ARG 12 HH21 ARG 12 4.232 -15.564 34.569 102 HH12 ARG 12 HH22 ARG 12 3.624 -16.549 35.858 103 HH21 ARG 12 HH11 ARG 12 0.323 -15.598 35.372 104 HH22 ARG 12 HH12 ARG 12 1.406 -16.569 36.314 105 H ALA 13 HN ALA 13 6.881 -15.273 29.827 106 HA ALA 13 HA ALA 13 7.713 -16.998 31.967 107 HB1 ALA 13 HB1 ALA 13 7.426 -17.659 29.519 108 HB2 ALA 13 HB2 ALA 13 8.896 -18.222 30.314 109 HB3 ALA 13 HB3 ALA 13 8.959 -16.838 29.224 110 H SER 14 HN SER 14 8.559 -13.933 31.207 111 HA SER 14 HA SER 14 11.394 -13.974 31.325 112 HB2 SER 14 HB2 SER 14 11.254 -11.620 31.563 113 HB3 SER 14 HB1 SER 14 9.866 -12.060 30.576 114 HG SER 14 HG SER 14 9.379 -12.189 33.266 115 H VAL 15 HN VAL 15 9.016 -14.570 33.647 116 HA VAL 15 HA VAL 15 10.165 -13.545 35.998 117 HB VAL 15 HB VAL 15 8.832 -15.265 37.168 118 HG11 VAL 15 HG11 VAL 15 6.603 -14.671 36.045 119 HG12 VAL 15 HG12 VAL 15 7.559 -13.785 34.859 120 HG13 VAL 15 HG13 VAL 15 7.610 -13.317 36.557 121 HG21 VAL 15 HG21 VAL 15 7.440 -16.806 35.727 122 HG22 VAL 15 HG22 VAL 15 9.164 -17.171 35.712 123 HG23 VAL 15 HG23 VAL 15 8.432 -16.325 34.351 124 H ILE 16 HN ILE 16 10.920 -16.351 34.064 125 HA ILE 16 HA ILE 16 13.259 -16.897 35.776 126 HB ILE 16 HB ILE 16 11.520 -18.477 36.472 127 HG12 ILE 16 HG12 ILE 16 13.567 -19.897 34.744 128 HG13 ILE 16 HG11 ILE 16 13.966 -19.123 36.279 129 HG21 ILE 16 HG21 ILE 16 10.499 -18.382 33.997 130 HG22 ILE 16 HG22 ILE 16 10.270 -19.792 35.026 131 HG23 ILE 16 HG23 ILE 16 11.513 -19.808 33.778 132 HD11 ILE 16 HD11 ILE 16 11.760 -21.173 36.038 133 HD12 ILE 16 HD12 ILE 16 12.543 -20.588 37.506 134 HD13 ILE 16 HD13 ILE 16 13.429 -21.624 36.387 135 H GLY 17 HN GLY 17 14.818 -16.321 34.373 136 HA2 GLY 17 HA2 GLY 17 14.618 -16.872 31.542 137 HA3 GLY 17 HA1 GLY 17 15.988 -16.141 32.376 138 H LYS 18 HN LYS 18 15.958 -18.287 30.354 139 HA LYS 18 HA LYS 18 17.839 -20.014 31.634 140 HB2 LYS 18 HB2 LYS 18 16.394 -22.117 30.931 141 HB3 LYS 18 HB1 LYS 18 16.123 -21.334 32.487 142 HG2 LYS 18 HG2 LYS 18 14.264 -20.058 31.575 143 HG3 LYS 18 HG1 LYS 18 14.579 -20.694 29.960 144 HD2 LYS 18 HD2 LYS 18 14.170 -22.999 30.836 145 HD3 LYS 18 HD1 LYS 18 13.725 -22.290 32.390 146 HE2 LYS 18 HE2 LYS 18 12.371 -21.665 29.751 147 HE3 LYS 18 HE1 LYS 18 11.734 -22.760 30.978 148 HZ1 LYS 18 HZ1 LYS 18 11.273 -20.092 30.856 149 HZ2 LYS 18 HZ2 LYS 18 12.494 -20.202 32.030 150 HZ3 LYS 18 HZ3 LYS 18 11.044 -21.067 32.224 151 HA PRO 19 HA PRO 19 19.184 -20.276 27.426 152 HB2 PRO 19 HB2 PRO 19 20.550 -22.663 27.443 153 HB3 PRO 19 HB1 PRO 19 21.172 -21.176 28.184 154 HG2 PRO 19 HG2 PRO 19 19.795 -23.492 29.468 155 HG3 PRO 19 HG1 PRO 19 21.207 -22.575 30.022 156 HD2 PRO 19 HD2 PRO 19 18.725 -22.142 31.041 157 HD3 PRO 19 HD1 PRO 19 19.912 -20.830 30.867 158 H ILE 20 HN ILE 20 17.672 -20.590 25.876 159 HA ILE 20 HA ILE 20 16.030 -23.002 25.843 160 HB ILE 20 HB ILE 20 16.053 -20.609 23.985 161 HG12 ILE 20 HG12 ILE 20 14.178 -21.332 26.265 162 HG13 ILE 20 HG11 ILE 20 15.466 -20.126 26.376 163 HG21 ILE 20 HG21 ILE 20 13.809 -21.476 23.329 164 HG22 ILE 20 HG22 ILE 20 14.077 -22.886 24.349 165 HG23 ILE 20 HG23 ILE 20 15.089 -22.617 22.932 166 HD11 ILE 20 HD11 ILE 20 12.949 -20.032 24.709 167 HD12 ILE 20 HD12 ILE 20 14.349 -19.041 24.295 168 HD13 ILE 20 HD13 ILE 20 13.557 -18.838 25.856 169 H GLY 21 HN GLY 21 16.376 -24.717 24.588 170 HA2 GLY 21 HA2 GLY 21 18.770 -24.998 23.073 171 HA3 GLY 21 HA1 GLY 21 17.436 -26.147 23.124 172 H GLU 22 HN GLU 22 19.003 -25.290 20.818 173 HA GLU 22 HA GLU 22 17.837 -23.417 19.163 174 HB2 GLU 22 HB2 GLU 22 18.949 -26.128 18.380 175 HB3 GLU 22 HB1 GLU 22 18.667 -24.786 17.275 176 HG2 GLU 22 HG2 GLU 22 20.935 -24.517 17.779 177 HG3 GLU 22 HG1 GLU 22 20.178 -23.425 18.934 178 H SER 23 HN SER 23 16.880 -26.801 19.661 179 HA SER 23 HA SER 23 14.779 -26.833 17.770 180 HB2 SER 23 HB2 SER 23 15.735 -28.884 18.734 181 HB3 SER 23 HB1 SER 23 15.082 -28.451 20.312 182 HG SER 23 HG SER 23 13.585 -28.854 17.928 183 H TYR 24 HN TYR 24 14.851 -26.051 21.239 184 HA TYR 24 HA TYR 24 12.009 -25.569 21.361 185 HB2 TYR 24 HB2 TYR 24 14.243 -24.974 23.313 186 HB3 TYR 24 HB1 TYR 24 12.528 -24.735 23.651 187 HD1 TYR 24 HD2 TYR 24 15.136 -27.261 22.903 188 HD2 TYR 24 HD1 TYR 24 11.061 -26.590 24.081 189 HE1 TYR 24 HE2 TYR 24 14.918 -29.655 23.511 190 HE2 TYR 24 HE1 TYR 24 10.842 -28.985 24.689 191 HH TYR 24 HH TYR 24 12.107 -31.207 23.885 192 H LYS 25 HN LYS 25 14.668 -23.842 20.234 193 HA LYS 25 HA LYS 25 13.512 -21.206 20.808 194 HB2 LYS 25 HB2 LYS 25 16.035 -21.789 20.931 195 HB3 LYS 25 HB1 LYS 25 15.991 -21.723 19.171 196 HG2 LYS 25 HG2 LYS 25 15.197 -19.428 19.222 197 HG3 LYS 25 HG1 LYS 25 15.033 -19.480 20.976 198 HD2 LYS 25 HD2 LYS 25 17.098 -18.337 20.460 199 HD3 LYS 25 HD1 LYS 25 17.500 -19.914 21.134 200 HE2 LYS 25 HE2 LYS 25 18.106 -20.793 19.026 201 HE3 LYS 25 HE1 LYS 25 17.266 -19.512 18.150 202 HZ1 LYS 25 HZ1 LYS 25 19.818 -19.386 19.623 203 HZ2 LYS 25 HZ2 LYS 25 18.913 -17.977 19.339 204 HZ3 LYS 25 HZ3 LYS 25 19.483 -18.902 18.033 205 H ARG 26 HN ARG 26 13.962 -23.485 18.195 206 HA ARG 26 HA ARG 26 13.329 -21.711 16.060 207 HB2 ARG 26 HB2 ARG 26 14.533 -23.849 15.736 208 HB3 ARG 26 HB1 ARG 26 13.065 -24.724 16.176 209 HG2 ARG 26 HG2 ARG 26 11.865 -23.731 14.287 210 HG3 ARG 26 HG1 ARG 26 13.280 -22.762 13.873 211 HD2 ARG 26 HD2 ARG 26 13.273 -25.789 13.951 212 HD3 ARG 26 HD1 ARG 26 13.024 -24.846 12.485 213 HE ARG 26 HE ARG 26 15.396 -23.955 13.704 214 HH11 ARG 26 HH21 ARG 26 14.054 -26.754 12.177 215 HH12 ARG 26 HH22 ARG 26 15.574 -27.323 11.572 216 HH21 ARG 26 HH11 ARG 26 17.393 -24.693 12.914 217 HH22 ARG 26 HH12 ARG 26 17.465 -26.156 11.989 218 H ILE 27 HN ILE 27 11.441 -23.903 18.091 219 HA ILE 27 HA ILE 27 9.020 -23.775 16.695 220 HB ILE 27 HB ILE 27 9.353 -25.392 18.471 221 HG12 ILE 27 HG12 ILE 27 7.242 -23.425 19.403 222 HG13 ILE 27 HG11 ILE 27 7.031 -24.485 18.004 223 HG21 ILE 27 HG21 ILE 27 10.761 -23.705 19.844 224 HG22 ILE 27 HG22 ILE 27 9.750 -24.839 20.729 225 HG23 ILE 27 HG23 ILE 27 9.222 -23.172 20.513 226 HD11 ILE 27 HD11 ILE 27 6.101 -25.403 20.174 227 HD12 ILE 27 HD12 ILE 27 7.754 -25.500 20.766 228 HD13 ILE 27 HD13 ILE 27 7.261 -26.452 19.368 229 H LEU 28 HN LEU 28 10.192 -21.817 19.409 230 HA LEU 28 HA LEU 28 7.956 -20.110 19.549 231 HB2 LEU 28 HB2 LEU 28 9.637 -20.315 21.358 232 HB3 LEU 28 HB1 LEU 28 10.826 -19.525 20.326 233 HG LEU 28 HG LEU 28 9.382 -17.508 20.218 234 HD11 LEU 28 HD11 LEU 28 7.539 -17.531 22.124 235 HD12 LEU 28 HD12 LEU 28 7.563 -19.270 21.838 236 HD13 LEU 28 HD13 LEU 28 7.169 -18.163 20.523 237 HD21 LEU 28 HD21 LEU 28 11.137 -17.747 21.966 238 HD22 LEU 28 HD22 LEU 28 9.933 -18.436 23.055 239 HD23 LEU 28 HD23 LEU 28 9.780 -16.762 22.518 240 H ALA 29 HN ALA 29 11.053 -19.824 17.848 241 HA ALA 29 HA ALA 29 10.605 -17.241 16.784 242 HB1 ALA 29 HB1 ALA 29 12.829 -18.356 16.889 243 HB2 ALA 29 HB2 ALA 29 12.448 -17.739 15.282 244 HB3 ALA 29 HB3 ALA 29 12.301 -19.463 15.621 245 H LYS 30 HN LYS 30 9.462 -20.378 15.914 246 HA LYS 30 HA LYS 30 8.917 -20.023 13.193 247 HB2 LYS 30 HB2 LYS 30 8.632 -22.126 14.784 248 HB3 LYS 30 HB1 LYS 30 6.980 -21.535 14.932 249 HG2 LYS 30 HG2 LYS 30 6.752 -22.903 13.059 250 HG3 LYS 30 HG1 LYS 30 7.134 -21.371 12.275 251 HD2 LYS 30 HD2 LYS 30 9.629 -22.163 12.533 252 HD3 LYS 30 HD1 LYS 30 8.909 -23.761 12.736 253 HE2 LYS 30 HE2 LYS 30 7.744 -23.500 10.571 254 HE3 LYS 30 HE1 LYS 30 8.483 -21.915 10.367 255 HZ1 LYS 30 HZ1 LYS 30 10.461 -23.829 10.990 256 HZ2 LYS 30 HZ2 LYS 30 10.314 -22.860 9.601 257 HZ3 LYS 30 HZ3 LYS 30 9.548 -24.376 9.669 258 H LEU 31 HN LEU 31 7.528 -18.572 15.955 259 HA LEU 31 HA LEU 31 4.922 -18.043 15.081 260 HB2 LEU 31 HB2 LEU 31 5.720 -17.622 17.389 261 HB3 LEU 31 HB1 LEU 31 6.703 -16.288 16.791 262 HG LEU 31 HG LEU 31 4.661 -15.144 15.982 263 HD11 LEU 31 HD11 LEU 31 3.385 -17.699 16.918 264 HD12 LEU 31 HD12 LEU 31 3.034 -16.729 15.489 265 HD13 LEU 31 HD13 LEU 31 2.468 -16.200 17.068 266 HD21 LEU 31 HD21 LEU 31 4.268 -15.972 18.859 267 HD22 LEU 31 HD22 LEU 31 3.923 -14.406 18.124 268 HD23 LEU 31 HD23 LEU 31 5.593 -14.920 18.361 269 H GLN 32 HN GLN 32 7.973 -16.381 14.464 270 HA GLN 32 HA GLN 32 7.033 -14.057 13.270 271 HB2 GLN 32 HB2 GLN 32 9.481 -15.726 12.666 272 HB3 GLN 32 HB1 GLN 32 9.195 -14.133 11.963 273 HG2 GLN 32 HG2 GLN 32 9.084 -13.138 14.199 274 HG3 GLN 32 HG1 GLN 32 9.294 -14.726 14.935 275 HE21 GLN 32 HE21 GLN 32 11.392 -14.768 15.768 276 HE22 GLN 32 HE22 GLN 32 12.775 -14.269 14.920 277 H ARG 33 HN ARG 33 7.543 -17.271 11.854 278 HA ARG 33 HA ARG 33 6.893 -16.550 9.193 279 HB2 ARG 33 HB2 ARG 33 7.168 -19.081 10.744 280 HB3 ARG 33 HB1 ARG 33 6.212 -19.189 9.271 281 HG2 ARG 33 HG2 ARG 33 8.917 -17.850 9.233 282 HG3 ARG 33 HG1 ARG 33 8.791 -19.605 9.142 283 HD2 ARG 33 HD2 ARG 33 7.266 -19.373 7.192 284 HD3 ARG 33 HD1 ARG 33 7.476 -17.628 7.248 285 HE ARG 33 HE ARG 33 9.452 -19.592 6.366 286 HH11 ARG 33 HH21 ARG 33 8.719 -16.335 7.301 287 HH12 ARG 33 HH22 ARG 33 10.107 -15.656 6.520 288 HH21 ARG 33 HH11 ARG 33 11.269 -18.708 5.352 289 HH22 ARG 33 HH12 ARG 33 11.552 -17.001 5.418 290 H ILE 34 HN ILE 34 4.956 -17.831 11.864 291 HA ILE 34 HA ILE 34 2.532 -18.020 10.417 292 HB ILE 34 HB ILE 34 3.081 -17.710 13.372 293 HG12 ILE 34 HG12 ILE 34 2.196 -20.123 11.767 294 HG13 ILE 34 HG11 ILE 34 3.884 -19.779 12.139 295 HG21 ILE 34 HG21 ILE 34 0.518 -18.116 11.828 296 HG22 ILE 34 HG22 ILE 34 0.850 -16.954 13.107 297 HG23 ILE 34 HG23 ILE 34 0.679 -18.664 13.496 298 HD11 ILE 34 HD11 ILE 34 3.539 -20.033 14.470 299 HD12 ILE 34 HD12 ILE 34 2.635 -21.357 13.738 300 HD13 ILE 34 HD13 ILE 34 1.786 -19.923 14.305 301 H HIS 35 HN HIS 35 3.927 -15.466 12.440 302 HA HIS 35 HA HIS 35 1.774 -13.706 12.488 303 HB2 HIS 35 HB2 HIS 35 3.810 -13.391 13.826 304 HB3 HIS 35 HB1 HIS 35 4.726 -13.048 12.357 305 HD2 HIS 35 HD2 HIS 35 4.720 -10.369 11.683 306 HE1 HIS 35 HE1 HIS 35 1.376 -9.190 13.975 307 HE2 HIS 35 HE2 HIS 35 3.237 -8.364 12.459 308 H ASN 36 HN ASN 36 4.431 -13.902 10.117 309 HA ASN 36 HA ASN 36 3.194 -11.891 8.422 310 HB2 ASN 36 HB2 ASN 36 5.690 -12.193 8.713 311 HB3 ASN 36 HB1 ASN 36 5.540 -13.672 7.765 312 HD21 ASN 36 HD21 ASN 36 7.100 -12.069 6.417 313 HD22 ASN 36 HD22 ASN 36 6.300 -11.163 5.225 314 H SER 37 HN SER 37 3.880 -15.368 8.251 315 HA SER 37 HA SER 37 2.400 -15.677 5.775 316 HB2 SER 37 HB2 SER 37 4.529 -16.995 6.625 317 HB3 SER 37 HB1 SER 37 3.325 -18.017 7.403 318 HG SER 37 HG SER 37 2.642 -17.368 4.854 319 H ASN 38 HN ASN 38 1.166 -14.877 8.479 320 HA ASN 38 HA ASN 38 -0.416 -16.788 9.624 321 HB2 ASN 38 HB2 ASN 38 -0.376 -14.333 10.192 322 HB3 ASN 38 HB1 ASN 38 -1.442 -14.063 8.816 323 HD21 ASN 38 HD21 ASN 38 -1.242 -15.931 11.881 324 HD22 ASN 38 HD22 ASN 38 -2.921 -15.980 12.130 325 H ILE 39 HN ILE 39 -1.772 -18.233 8.872 326 HA ILE 39 HA ILE 39 -3.083 -19.410 7.379 327 HB ILE 39 HB ILE 39 -4.453 -16.746 7.044 328 HG12 ILE 39 HG12 ILE 39 -4.746 -18.757 9.264 329 HG13 ILE 39 HG11 ILE 39 -3.974 -17.188 9.432 330 HG21 ILE 39 HG21 ILE 39 -5.612 -19.530 7.217 331 HG22 ILE 39 HG22 ILE 39 -5.141 -18.799 5.683 332 HG23 ILE 39 HG23 ILE 39 -6.410 -18.060 6.657 333 HD11 ILE 39 HD11 ILE 39 -6.138 -16.151 8.631 334 HD12 ILE 39 HD12 ILE 39 -6.238 -16.940 10.205 335 HD13 ILE 39 HD13 ILE 39 -6.873 -17.747 8.772 336 H LEU 40 HN LEU 40 -0.981 -19.218 5.998 337 HA LEU 40 HA LEU 40 -1.680 -17.957 3.404 338 HB2 LEU 40 HB2 LEU 40 0.293 -16.914 4.542 339 HB3 LEU 40 HB1 LEU 40 1.100 -18.478 4.479 340 HG LEU 40 HG LEU 40 0.846 -18.475 1.992 341 HD11 LEU 40 HD11 LEU 40 -0.935 -17.098 1.406 342 HD12 LEU 40 HD12 LEU 40 0.412 -16.008 1.101 343 HD13 LEU 40 HD13 LEU 40 -0.515 -15.864 2.594 344 HD21 LEU 40 HD21 LEU 40 2.294 -16.150 3.289 345 HD22 LEU 40 HD22 LEU 40 2.526 -16.621 1.605 346 HD23 LEU 40 HD23 LEU 40 2.949 -17.741 2.899 347 H ASP 41 HN ASP 41 -1.358 -19.136 1.554 348 HA ASP 41 HA ASP 41 -1.850 -21.809 1.475 349 HB2 ASP 41 HB2 ASP 41 -0.202 -20.138 -0.425 350 HB3 ASP 41 HB1 ASP 41 -0.671 -21.802 -0.769 351 H GLU 42 HN GLU 42 1.335 -20.283 1.703 352 HA GLU 42 HA GLU 42 2.806 -22.725 1.597 353 HB2 GLU 42 HB2 GLU 42 3.770 -20.490 1.106 354 HB3 GLU 42 HB1 GLU 42 3.609 -20.077 2.812 355 HG2 GLU 42 HG2 GLU 42 5.079 -21.949 3.426 356 HG3 GLU 42 HG1 GLU 42 5.212 -22.416 1.732 357 H ARG 43 HN ARG 43 1.535 -20.718 4.216 358 HA ARG 43 HA ARG 43 2.720 -22.151 6.362 359 HB2 ARG 43 HB2 ARG 43 1.748 -19.860 6.565 360 HB3 ARG 43 HB1 ARG 43 0.140 -20.569 6.389 361 HG2 ARG 43 HG2 ARG 43 0.708 -22.059 8.372 362 HG3 ARG 43 HG1 ARG 43 2.144 -21.070 8.601 363 HD2 ARG 43 HD2 ARG 43 0.779 -19.084 8.895 364 HD3 ARG 43 HD1 ARG 43 -0.681 -19.995 8.516 365 HE ARG 43 HE ARG 43 0.914 -20.902 10.809 366 HH11 ARG 43 HH21 ARG 43 -1.862 -19.230 9.570 367 HH12 ARG 43 HH22 ARG 43 -2.727 -19.280 11.067 368 HH21 ARG 43 HH11 ARG 43 -0.225 -20.956 12.777 369 HH22 ARG 43 HH12 ARG 43 -1.805 -20.254 12.876 370 H GLN 44 HN GLN 44 -0.342 -22.500 4.607 371 HA GLN 44 HA GLN 44 -1.830 -24.158 6.150 372 HB2 GLN 44 HB2 GLN 44 -1.272 -24.417 3.189 373 HB3 GLN 44 HB1 GLN 44 -2.525 -25.333 4.023 374 HG2 GLN 44 HG2 GLN 44 -3.585 -23.230 4.752 375 HG3 GLN 44 HG1 GLN 44 -2.330 -22.311 3.933 376 HE21 GLN 44 HE21 GLN 44 -4.555 -21.533 2.863 377 HE22 GLN 44 HE22 GLN 44 -4.987 -22.357 1.445 378 H GLY 45 HN GLY 45 0.932 -25.204 4.154 379 HA2 GLY 45 HA2 GLY 45 0.767 -27.953 4.867 380 HA3 GLY 45 HA1 GLY 45 2.165 -27.147 4.160 381 H LEU 46 HN LEU 46 2.470 -25.159 6.180 382 HA LEU 46 HA LEU 46 4.087 -26.586 7.992 383 HB2 LEU 46 HB2 LEU 46 4.669 -24.309 7.456 384 HB3 LEU 46 HB1 LEU 46 3.120 -23.723 8.056 385 HG LEU 46 HG LEU 46 3.704 -24.413 10.334 386 HD11 LEU 46 HD11 LEU 46 6.141 -25.152 10.709 387 HD12 LEU 46 HD12 LEU 46 6.186 -25.497 8.982 388 HD13 LEU 46 HD13 LEU 46 5.064 -26.363 10.024 389 HD21 LEU 46 HD21 LEU 46 5.476 -22.809 10.764 390 HD22 LEU 46 HD22 LEU 46 4.423 -22.180 9.497 391 HD23 LEU 46 HD23 LEU 46 5.988 -22.878 9.078 392 H MET 47 HN MET 47 0.835 -25.287 8.215 393 HA MET 47 HA MET 47 0.444 -25.513 10.980 394 HB2 MET 47 HB2 MET 47 -1.375 -25.584 8.585 395 HB3 MET 47 HB1 MET 47 -2.034 -25.862 10.196 396 HG2 MET 47 HG2 MET 47 -1.667 -23.677 10.871 397 HG3 MET 47 HG1 MET 47 -0.252 -23.483 9.848 398 HE1 MET 47 HE1 MET 47 -4.612 -23.592 8.485 399 HE2 MET 47 HE2 MET 47 -3.845 -24.437 9.825 400 HE3 MET 47 HE3 MET 47 -3.602 -25.011 8.177 401 H HIS 48 HN HIS 48 0.002 -27.900 8.388 402 HA HIS 48 HA HIS 48 -1.176 -29.914 9.963 403 HB2 HIS 48 HB2 HIS 48 -1.092 -29.903 7.475 404 HB3 HIS 48 HB1 HIS 48 0.630 -30.280 7.568 405 HD2 HIS 48 HD2 HIS 48 -2.808 -32.070 8.029 406 HE1 HIS 48 HE1 HIS 48 0.222 -34.921 8.745 407 HE2 HIS 48 HE2 HIS 48 -2.277 -34.594 8.430 408 H GLU 49 HN GLU 49 2.240 -29.320 9.133 409 HA GLU 49 HA GLU 49 3.166 -31.530 10.736 410 HB2 GLU 49 HB2 GLU 49 4.369 -30.717 8.714 411 HB3 GLU 49 HB1 GLU 49 4.740 -29.224 9.576 412 HG2 GLU 49 HG2 GLU 49 5.968 -30.454 11.280 413 HG3 GLU 49 HG1 GLU 49 5.511 -31.990 10.544 414 H LEU 50 HN LEU 50 3.365 -27.984 11.022 415 HA LEU 50 HA LEU 50 4.723 -27.802 13.414 416 HB2 LEU 50 HB2 LEU 50 4.122 -25.860 12.037 417 HB3 LEU 50 HB1 LEU 50 2.439 -26.038 12.503 418 HG LEU 50 HG LEU 50 3.098 -25.687 14.869 419 HD11 LEU 50 HD11 LEU 50 5.303 -26.369 15.137 420 HD12 LEU 50 HD12 LEU 50 5.506 -24.621 15.070 421 HD13 LEU 50 HD13 LEU 50 5.833 -25.600 13.641 422 HD21 LEU 50 HD21 LEU 50 4.149 -23.484 13.082 423 HD22 LEU 50 HD22 LEU 50 3.456 -23.309 14.695 424 HD23 LEU 50 HD23 LEU 50 2.433 -23.798 13.344 425 H MET 51 HN MET 51 1.285 -28.400 12.866 426 HA MET 51 HA MET 51 0.330 -28.126 15.468 427 HB2 MET 51 HB2 MET 51 -1.128 -28.483 13.524 428 HB3 MET 51 HB1 MET 51 -0.526 -30.132 13.366 429 HG2 MET 51 HG2 MET 51 -1.425 -30.699 15.571 430 HG3 MET 51 HG1 MET 51 -1.948 -29.031 15.808 431 HE1 MET 51 HE1 MET 51 -3.738 -32.297 13.181 432 HE2 MET 51 HE2 MET 51 -2.988 -32.483 14.765 433 HE3 MET 51 HE3 MET 51 -2.007 -31.993 13.387 434 H GLU 52 HN GLU 52 1.878 -30.902 13.905 435 HA GLU 52 HA GLU 52 1.550 -32.692 16.087 436 HB2 GLU 52 HB2 GLU 52 3.591 -32.654 13.852 437 HB3 GLU 52 HB1 GLU 52 3.329 -34.005 14.956 438 HG2 GLU 52 HG2 GLU 52 1.173 -32.811 13.195 439 HG3 GLU 52 HG1 GLU 52 2.108 -34.245 12.776 440 H LEU 53 HN LEU 53 4.139 -30.459 15.145 441 HA LEU 53 HA LEU 53 5.950 -31.270 17.191 442 HB2 LEU 53 HB2 LEU 53 5.740 -28.921 15.326 443 HB3 LEU 53 HB1 LEU 53 6.897 -28.860 16.656 444 HG LEU 53 HG LEU 53 7.906 -30.970 15.886 445 HD11 LEU 53 HD11 LEU 53 5.811 -30.758 13.719 446 HD12 LEU 53 HD12 LEU 53 6.002 -32.063 14.887 447 HD13 LEU 53 HD13 LEU 53 7.204 -31.828 13.621 448 HD21 LEU 53 HD21 LEU 53 8.654 -28.732 14.984 449 HD22 LEU 53 HD22 LEU 53 7.629 -29.025 13.579 450 HD23 LEU 53 HD23 LEU 53 8.992 -30.091 13.913 451 H ILE 54 HN ILE 54 3.864 -28.376 16.897 452 HA ILE 54 HA ILE 54 4.410 -27.188 19.299 453 HB ILE 54 HB ILE 54 1.851 -27.372 17.739 454 HG12 ILE 54 HG12 ILE 54 3.940 -26.024 17.024 455 HG13 ILE 54 HG11 ILE 54 2.390 -25.204 17.024 456 HG21 ILE 54 HG21 ILE 54 0.963 -27.052 19.903 457 HG22 ILE 54 HG22 ILE 54 1.110 -25.417 19.261 458 HG23 ILE 54 HG23 ILE 54 2.308 -26.027 20.402 459 HD11 ILE 54 HD11 ILE 54 2.973 -23.784 18.719 460 HD12 ILE 54 HD12 ILE 54 4.610 -24.159 18.184 461 HD13 ILE 54 HD13 ILE 54 3.921 -25.000 19.564 462 H ASP 55 HN ASP 55 2.819 -30.195 18.781 463 HA ASP 55 HA ASP 55 1.568 -30.266 21.394 464 HB2 ASP 55 HB2 ASP 55 0.581 -31.379 19.409 465 HB3 ASP 55 HB1 ASP 55 1.965 -32.471 19.367 466 H LEU 56 HN LEU 56 4.034 -32.269 19.775 467 HA LEU 56 HA LEU 56 4.894 -33.539 22.139 468 HB2 LEU 56 HB2 LEU 56 6.237 -33.147 19.469 469 HB3 LEU 56 HB1 LEU 56 6.909 -34.153 20.749 470 HG LEU 56 HG LEU 56 4.108 -34.521 19.653 471 HD11 LEU 56 HD11 LEU 56 4.995 -36.329 18.271 472 HD12 LEU 56 HD12 LEU 56 6.627 -36.019 18.868 473 HD13 LEU 56 HD13 LEU 56 5.808 -34.818 17.868 474 HD21 LEU 56 HD21 LEU 56 4.171 -35.676 21.691 475 HD22 LEU 56 HD22 LEU 56 5.885 -36.059 21.547 476 HD23 LEU 56 HD23 LEU 56 4.701 -36.930 20.579 477 H TYR 57 HN TYR 57 6.137 -30.722 20.391 478 HA TYR 57 HA TYR 57 8.454 -30.312 21.936 479 HB2 TYR 57 HB2 TYR 57 6.733 -28.548 20.218 480 HB3 TYR 57 HB1 TYR 57 8.013 -27.825 21.179 481 HD1 TYR 57 HD1 TYR 57 7.703 -31.014 19.188 482 HD2 TYR 57 HD2 TYR 57 9.913 -27.397 19.905 483 HE1 TYR 57 HE1 TYR 57 9.391 -31.708 17.513 484 HE2 TYR 57 HE2 TYR 57 11.593 -28.092 18.225 485 HH TYR 57 HH TYR 57 12.243 -30.791 17.293 486 H GLU 58 HN GLU 58 5.176 -28.958 22.282 487 HA GLU 58 HA GLU 58 5.801 -27.414 24.580 488 HB2 GLU 58 HB2 GLU 58 3.178 -28.461 23.505 489 HB3 GLU 58 HB1 GLU 58 3.302 -27.370 24.886 490 HG2 GLU 58 HG2 GLU 58 4.507 -26.769 22.175 491 HG3 GLU 58 HG1 GLU 58 2.911 -26.208 22.673 492 H GLU 59 HN GLU 59 4.020 -30.486 24.251 493 HA GLU 59 HA GLU 59 3.582 -31.101 26.890 494 HB2 GLU 59 HB2 GLU 59 2.768 -32.418 24.931 495 HB3 GLU 59 HB1 GLU 59 4.373 -33.144 24.818 496 HG2 GLU 59 HG2 GLU 59 4.178 -34.084 27.042 497 HG3 GLU 59 HG1 GLU 59 2.679 -33.207 27.335 498 H SER 60 HN SER 60 6.582 -30.702 25.407 499 HA SER 60 HA SER 60 8.264 -32.565 26.586 500 HB2 SER 60 HB2 SER 60 10.026 -30.885 26.365 501 HB3 SER 60 HB1 SER 60 8.998 -30.904 24.936 502 HG SER 60 HG SER 60 7.962 -29.235 26.755 503 H GLN 61 HN GLN 61 7.220 -29.415 27.974 504 HA GLN 61 HA GLN 61 8.581 -30.039 30.491 505 HB2 GLN 61 HB2 GLN 61 6.927 -27.563 30.326 506 HB3 GLN 61 HB1 GLN 61 8.548 -27.799 30.958 507 HG2 GLN 61 HG2 GLN 61 9.411 -28.007 28.649 508 HG3 GLN 61 HG1 GLN 61 7.790 -27.706 28.028 509 HE21 GLN 61 HE21 GLN 61 8.114 -25.642 27.103 510 HE22 GLN 61 HE22 GLN 61 8.588 -24.285 28.004 511 HA PRO 62 HA PRO 62 4.178 -30.257 32.076 512 HB2 PRO 62 HB2 PRO 62 2.083 -29.584 30.440 513 HB3 PRO 62 HB1 PRO 62 3.081 -28.368 31.265 514 HG2 PRO 62 HG2 PRO 62 2.949 -29.009 28.419 515 HG3 PRO 62 HG1 PRO 62 3.702 -27.619 29.212 516 HD2 PRO 62 HD2 PRO 62 4.960 -30.106 28.303 517 HD3 PRO 62 HD1 PRO 62 5.729 -28.595 28.735 518 H SER 63 HN SER 63 4.824 -32.521 31.830 519 HA SER 63 HA SER 63 3.495 -34.150 29.813 520 HB2 SER 63 HB2 SER 63 5.798 -34.694 30.537 521 HB3 SER 63 HB1 SER 63 5.214 -34.942 32.181 522 HG SER 63 HG SER 63 4.377 -36.341 29.853 523 H SER 64 HN SER 64 2.772 -32.822 32.830 524 HA SER 64 HA SER 64 1.119 -34.988 33.818 525 HB2 SER 64 HB2 SER 64 1.536 -32.139 34.722 526 HB3 SER 64 HB1 SER 64 0.390 -33.230 35.495 527 HG SER 64 HG SER 64 3.053 -34.022 35.038 528 H GLU 65 HN GLU 65 0.577 -33.823 31.142 529 HA GLU 65 HA GLU 65 -1.291 -33.452 29.852 530 HB2 GLU 65 HB2 GLU 65 -2.327 -35.002 31.670 531 HB3 GLU 65 HB1 GLU 65 -3.007 -33.519 32.335 532 HG2 GLU 65 HG2 GLU 65 -4.116 -33.034 30.208 533 HG3 GLU 65 HG1 GLU 65 -3.384 -34.462 29.479 534 H ARG 66 HN ARG 66 0.030 -31.449 31.983 535 HA ARG 66 HA ARG 66 -1.888 -29.350 32.216 536 HB2 ARG 66 HB2 ARG 66 1.110 -29.428 32.533 537 HB3 ARG 66 HB1 ARG 66 0.146 -27.979 32.818 538 HG2 ARG 66 HG2 ARG 66 -1.178 -29.176 34.507 539 HG3 ARG 66 HG1 ARG 66 -0.249 -30.646 34.206 540 HD2 ARG 66 HD2 ARG 66 1.811 -29.497 34.913 541 HD3 ARG 66 HD1 ARG 66 0.894 -28.022 35.206 542 HE ARG 66 HE ARG 66 0.923 -30.413 36.871 543 HH11 ARG 66 HH21 ARG 66 -0.620 -27.440 36.004 544 HH12 ARG 66 HH22 ARG 66 -1.475 -27.284 37.503 545 HH21 ARG 66 HH11 ARG 66 -0.198 -30.217 38.840 546 HH22 ARG 66 HH12 ARG 66 -1.237 -28.858 39.108 547 H LEU 67 HN LEU 67 0.145 -30.411 29.678 548 HA LEU 67 HA LEU 67 0.827 -28.157 28.270 549 HB2 LEU 67 HB2 LEU 67 0.664 -29.496 26.243 550 HB3 LEU 67 HB1 LEU 67 1.347 -30.458 27.547 551 HG LEU 67 HG LEU 67 -1.379 -30.937 27.861 552 HD11 LEU 67 HD11 LEU 67 -2.376 -31.340 25.735 553 HD12 LEU 67 HD12 LEU 67 -0.855 -31.071 24.884 554 HD13 LEU 67 HD13 LEU 67 -1.695 -29.716 25.639 555 HD21 LEU 67 HD21 LEU 67 0.621 -32.513 26.204 556 HD22 LEU 67 HD22 LEU 67 -0.901 -33.148 26.829 557 HD23 LEU 67 HD23 LEU 67 0.371 -32.650 27.945 558 H ASN 68 HN ASN 68 -2.314 -29.245 29.056 559 HA ASN 68 HA ASN 68 -3.956 -28.403 27.033 560 HB2 ASN 68 HB2 ASN 68 -4.296 -28.039 30.015 561 HB3 ASN 68 HB1 ASN 68 -5.582 -27.754 28.846 562 HD21 ASN 68 HD21 ASN 68 -5.631 -29.838 30.911 563 HD22 ASN 68 HD22 ASN 68 -5.685 -31.329 30.099 564 H ALA 69 HN ALA 69 -2.091 -26.438 29.260 565 HA ALA 69 HA ALA 69 -3.322 -23.940 28.712 566 HB1 ALA 69 HB1 ALA 69 -1.172 -22.988 29.580 567 HB2 ALA 69 HB2 ALA 69 -0.526 -24.627 29.646 568 HB3 ALA 69 HB3 ALA 69 -1.903 -24.181 30.654 569 H PHE 70 HN PHE 70 -0.678 -25.730 27.203 570 HA PHE 70 HA PHE 70 -0.119 -23.611 25.276 571 HB2 PHE 70 HB2 PHE 70 0.970 -26.403 25.694 572 HB3 PHE 70 HB1 PHE 70 1.440 -25.390 24.328 573 HD1 PHE 70 HD1 PHE 70 2.449 -23.106 24.780 574 HD2 PHE 70 HD2 PHE 70 1.907 -26.054 27.858 575 HE1 PHE 70 HE1 PHE 70 4.077 -21.906 26.215 576 HE2 PHE 70 HE2 PHE 70 3.536 -24.852 29.293 577 HZ PHE 70 HZ PHE 70 4.621 -22.779 28.471 578 H ARG 71 HN ARG 71 -2.204 -26.306 25.579 579 HA ARG 71 HA ARG 71 -2.475 -27.072 22.890 580 HB2 ARG 71 HB2 ARG 71 -3.414 -28.360 24.767 581 HB3 ARG 71 HB1 ARG 71 -4.601 -27.083 25.036 582 HG2 ARG 71 HG2 ARG 71 -5.508 -27.430 22.784 583 HG3 ARG 71 HG1 ARG 71 -4.289 -28.667 22.471 584 HD2 ARG 71 HD2 ARG 71 -6.358 -29.767 23.113 585 HD3 ARG 71 HD1 ARG 71 -5.181 -29.970 24.407 586 HE ARG 71 HE ARG 71 -6.501 -28.611 25.774 587 HH11 ARG 71 HH21 ARG 71 -7.527 -28.503 22.474 588 HH12 ARG 71 HH22 ARG 71 -9.012 -27.681 22.815 589 HH21 ARG 71 HH11 ARG 71 -8.451 -27.533 26.234 590 HH22 ARG 71 HH12 ARG 71 -9.536 -27.132 24.945 591 H GLU 72 HN GLU 72 -3.927 -24.467 24.772 592 HA GLU 72 HA GLU 72 -5.967 -23.591 23.155 593 HB2 GLU 72 HB2 GLU 72 -3.876 -21.946 24.609 594 HB3 GLU 72 HB1 GLU 72 -5.354 -21.275 23.918 595 HG2 GLU 72 HG2 GLU 72 -6.713 -22.735 25.343 596 HG3 GLU 72 HG1 GLU 72 -5.255 -23.479 25.997 597 H LEU 73 HN LEU 73 -2.501 -22.917 22.812 598 HA LEU 73 HA LEU 73 -2.736 -21.373 20.443 599 HB2 LEU 73 HB2 LEU 73 -0.705 -21.253 21.768 600 HB3 LEU 73 HB1 LEU 73 -0.412 -22.977 21.554 601 HG LEU 73 HG LEU 73 -0.092 -22.662 19.142 602 HD11 LEU 73 HD11 LEU 73 -1.538 -20.933 18.485 603 HD12 LEU 73 HD12 LEU 73 0.042 -20.158 18.380 604 HD13 LEU 73 HD13 LEU 73 -0.998 -19.856 19.774 605 HD21 LEU 73 HD21 LEU 73 1.481 -20.491 20.540 606 HD22 LEU 73 HD22 LEU 73 2.000 -21.523 19.208 607 HD23 LEU 73 HD23 LEU 73 1.786 -22.206 20.819 608 H ARG 74 HN ARG 74 -2.309 -24.814 21.079 609 HA ARG 74 HA ARG 74 -1.893 -25.614 18.393 610 HB2 ARG 74 HB2 ARG 74 -1.341 -27.029 20.359 611 HB3 ARG 74 HB1 ARG 74 -3.065 -27.209 20.679 612 HG2 ARG 74 HG2 ARG 74 -3.417 -28.289 18.554 613 HG3 ARG 74 HG1 ARG 74 -1.739 -28.011 18.087 614 HD2 ARG 74 HD2 ARG 74 -1.039 -29.390 20.067 615 HD3 ARG 74 HD1 ARG 74 -2.737 -29.764 20.348 616 HE ARG 74 HE ARG 74 -1.053 -30.815 18.215 617 HH11 ARG 74 HH21 ARG 74 -4.240 -30.241 19.431 618 HH12 ARG 74 HH22 ARG 74 -4.975 -31.494 18.490 619 HH21 ARG 74 HH11 ARG 74 -2.009 -32.461 16.975 620 HH22 ARG 74 HH12 ARG 74 -3.712 -32.752 17.099 621 H THR 75 HN THR 75 -4.672 -24.735 20.224 622 HA THR 75 HA THR 75 -6.675 -26.039 18.751 623 HB THR 75 HB THR 75 -6.977 -23.358 20.003 624 HG1 THR 75 HG1 THR 75 -7.385 -25.756 21.371 625 HG21 THR 75 HG21 THR 75 -9.250 -24.012 20.311 626 HG22 THR 75 HG22 THR 75 -8.881 -25.677 19.865 627 HG23 THR 75 HG23 THR 75 -8.830 -24.406 18.644 628 H GLN 76 HN GLN 76 -5.106 -22.898 18.353 629 HA GLN 76 HA GLN 76 -6.655 -21.979 16.181 630 HB2 GLN 76 HB2 GLN 76 -3.871 -21.377 17.187 631 HB3 GLN 76 HB1 GLN 76 -4.465 -20.642 15.694 632 HG2 GLN 76 HG2 GLN 76 -4.914 -19.151 17.576 633 HG3 GLN 76 HG1 GLN 76 -6.437 -19.772 16.942 634 HE21 GLN 76 HE21 GLN 76 -4.196 -19.941 19.677 635 HE22 GLN 76 HE22 GLN 76 -5.242 -20.795 20.704 636 H LEU 77 HN LEU 77 -3.629 -23.845 16.316 637 HA LEU 77 HA LEU 77 -3.232 -24.022 13.514 638 HB2 LEU 77 HB2 LEU 77 -2.259 -25.578 15.899 639 HB3 LEU 77 HB1 LEU 77 -1.927 -26.180 14.276 640 HG LEU 77 HG LEU 77 -0.782 -24.125 13.684 641 HD11 LEU 77 HD11 LEU 77 -1.793 -23.192 16.374 642 HD12 LEU 77 HD12 LEU 77 -2.058 -22.449 14.799 643 HD13 LEU 77 HD13 LEU 77 -0.461 -22.390 15.545 644 HD21 LEU 77 HD21 LEU 77 0.480 -25.855 14.959 645 HD22 LEU 77 HD22 LEU 77 0.085 -25.007 16.452 646 HD23 LEU 77 HD23 LEU 77 1.099 -24.229 15.238 647 H GLU 78 HN GLU 78 -4.928 -26.083 15.841 648 HA GLU 78 HA GLU 78 -5.629 -28.102 13.952 649 HB2 GLU 78 HB2 GLU 78 -5.584 -28.482 16.399 650 HB3 GLU 78 HB1 GLU 78 -6.961 -27.392 16.576 651 HG2 GLU 78 HG2 GLU 78 -8.335 -28.849 15.168 652 HG3 GLU 78 HG1 GLU 78 -6.957 -29.914 14.892 653 H LYS 79 HN LYS 79 -7.276 -25.232 15.209 654 HA LYS 79 HA LYS 79 -9.734 -25.681 13.861 655 HB2 LYS 79 HB2 LYS 79 -9.431 -24.163 15.832 656 HB3 LYS 79 HB1 LYS 79 -8.566 -23.046 14.776 657 HG2 LYS 79 HG2 LYS 79 -10.521 -22.780 13.361 658 HG3 LYS 79 HG1 LYS 79 -11.382 -24.029 14.255 659 HD2 LYS 79 HD2 LYS 79 -12.188 -21.941 15.102 660 HD3 LYS 79 HD1 LYS 79 -11.101 -22.585 16.330 661 HE2 LYS 79 HE2 LYS 79 -9.357 -21.081 15.724 662 HE3 LYS 79 HE1 LYS 79 -10.148 -20.650 14.208 663 HZ1 LYS 79 HZ1 LYS 79 -10.659 -18.887 15.579 664 HZ2 LYS 79 HZ2 LYS 79 -10.848 -19.862 16.958 665 HZ3 LYS 79 HZ3 LYS 79 -12.036 -19.862 15.743 666 H ALA 80 HN ALA 80 -6.823 -23.815 13.126 667 HA ALA 80 HA ALA 80 -7.782 -22.721 10.695 668 HB1 ALA 80 HB1 ALA 80 -4.918 -23.217 11.534 669 HB2 ALA 80 HB2 ALA 80 -5.856 -21.774 11.923 670 HB3 ALA 80 HB3 ALA 80 -5.454 -22.140 10.245 671 H LEU 81 HN LEU 81 -6.236 -25.725 11.570 672 HA LEU 81 HA LEU 81 -5.403 -26.584 9.034 673 HB2 LEU 81 HB2 LEU 81 -4.714 -27.764 11.051 674 HB3 LEU 81 HB1 LEU 81 -6.384 -28.205 11.398 675 HG LEU 81 HG LEU 81 -6.491 -29.569 9.370 676 HD11 LEU 81 HD11 LEU 81 -4.175 -29.921 8.189 677 HD12 LEU 81 HD12 LEU 81 -3.786 -28.340 8.867 678 HD13 LEU 81 HD13 LEU 81 -5.151 -28.517 7.763 679 HD21 LEU 81 HD21 LEU 81 -5.640 -30.639 11.396 680 HD22 LEU 81 HD22 LEU 81 -4.002 -30.108 11.012 681 HD23 LEU 81 HD23 LEU 81 -4.811 -31.287 9.980 682 H GLY 82 HN GLY 82 -8.539 -26.184 10.356 683 HA2 GLY 82 HA2 GLY 82 -9.939 -28.129 8.857 684 HA3 GLY 82 HA1 GLY 82 -10.642 -26.667 9.546 685 H LEU 83 HN LEU 83 -8.739 -24.932 8.092 686 HA LEU 83 HA LEU 83 -8.730 -23.699 6.150 687 HB2 LEU 83 HB2 LEU 83 -9.083 -26.432 4.898 688 HB3 LEU 83 HB1 LEU 83 -8.502 -24.983 4.077 689 HG LEU 83 HG LEU 83 -7.161 -26.256 6.475 690 HD11 LEU 83 HD11 LEU 83 -5.392 -26.853 4.747 691 HD12 LEU 83 HD12 LEU 83 -6.588 -26.451 3.514 692 HD13 LEU 83 HD13 LEU 83 -6.896 -27.767 4.645 693 HD21 LEU 83 HD21 LEU 83 -6.566 -23.847 4.773 694 HD22 LEU 83 HD22 LEU 83 -5.233 -24.744 5.497 695 HD23 LEU 83 HD23 LEU 83 -6.467 -24.024 6.524 696 H GLU 84 HN GLU 84 -11.170 -23.681 7.418 697 HA GLU 84 HA GLU 84 -13.357 -24.422 5.777 698 HB2 GLU 84 HB2 GLU 84 -13.539 -23.868 8.200 699 HB3 GLU 84 HB1 GLU 84 -13.221 -22.178 7.806 700 HG2 GLU 84 HG2 GLU 84 -15.213 -22.110 6.378 701 HG3 GLU 84 HG1 GLU 84 -15.522 -23.814 6.703 702 H HIS 85 HN HIS 85 -13.768 -23.663 3.809 703 HA HIS 85 HA HIS 85 -14.028 -20.874 3.275 704 HB2 HIS 85 HB2 HIS 85 -11.546 -21.079 3.211 705 HB3 HIS 85 HB1 HIS 85 -11.709 -22.269 1.919 706 HD2 HIS 85 HD2 HIS 85 -12.047 -18.397 2.427 707 HE1 HIS 85 HE1 HIS 85 -12.649 -19.231 -1.668 708 HE2 HIS 85 HE2 HIS 85 -12.345 -17.377 0.041 709 H HIS 86 HN HIS 86 -16.079 -21.954 2.752 710 HA HIS 86 HA HIS 86 -16.139 -23.629 0.367 711 HB2 HIS 86 HB2 HIS 86 -18.273 -22.583 2.232 712 HB3 HIS 86 HB1 HIS 86 -18.648 -23.492 0.767 713 HD2 HIS 86 HD2 HIS 86 -15.489 -25.025 2.117 714 HE1 HIS 86 HE1 HIS 86 -18.599 -27.175 3.993 715 HE2 HIS 86 HE2 HIS 86 -16.108 -27.146 3.505 716 H HIS 87 HN HIS 87 -16.063 -20.330 1.020 717 HA HIS 87 HA HIS 87 -16.868 -19.712 -1.733 718 HB2 HIS 87 HB2 HIS 87 -18.061 -18.318 0.675 719 HB3 HIS 87 HB1 HIS 87 -18.295 -17.845 -1.008 720 HD2 HIS 87 HD2 HIS 87 -19.824 -20.273 1.547 721 HE1 HIS 87 HE1 HIS 87 -21.333 -21.408 -2.229 722 HE2 HIS 87 HE2 HIS 87 -21.573 -21.739 0.278 723 H HIS 88 HN HIS 88 -16.285 -17.473 -2.333 724 HA HIS 88 HA HIS 88 -13.626 -16.873 -1.432 725 HB2 HIS 88 HB2 HIS 88 -15.455 -15.364 -3.315 726 HB3 HIS 88 HB1 HIS 88 -13.740 -15.030 -3.071 727 HD2 HIS 88 HD2 HIS 88 -15.856 -17.138 -5.384 728 HE1 HIS 88 HE1 HIS 88 -12.090 -19.044 -5.302 729 HE2 HIS 88 HE2 HIS 88 -14.325 -18.934 -6.503 730 H HIS 89 HN HIS 89 -12.933 -14.778 -0.671 731 HA HIS 89 HA HIS 89 -14.258 -13.954 1.647 732 HB2 HIS 89 HB2 HIS 89 -12.640 -12.085 1.662 733 HB3 HIS 89 HB1 HIS 89 -11.871 -13.636 1.330 734 HD2 HIS 89 HD2 HIS 89 -12.178 -10.173 -0.298 735 HE1 HIS 89 HE1 HIS 89 -10.684 -12.762 -3.281 736 HE2 HIS 89 HE2 HIS 89 -11.108 -10.333 -2.675 737 H HIS 90 HN HIS 90 -14.252 -12.457 -1.598 738 HA HIS 90 HA HIS 90 -15.607 -10.103 -0.940 739 HB2 HIS 90 HB2 HIS 90 -14.613 -10.517 -3.162 740 HB3 HIS 90 HB1 HIS 90 -15.875 -11.703 -3.497 741 HD2 HIS 90 HD2 HIS 90 -18.204 -10.589 -4.528 742 HE1 HIS 90 HE1 HIS 90 -17.390 -6.557 -3.574 743 HE2 HIS 90 HE2 HIS 90 -19.011 -8.115 -4.754 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -6.938 -8.839 15.195 2 H2 MET 1 HT2 MET 1 -7.383 -10.440 15.549 3 H3 MET 1 HT3 MET 1 -6.289 -10.118 14.289 4 HA MET 1 HA MET 1 -4.558 -9.621 15.707 5 HB2 MET 1 HB2 MET 1 -6.002 -8.028 17.044 6 HB3 MET 1 HB1 MET 1 -6.549 -9.419 17.981 7 HG2 MET 1 HG2 MET 1 -4.719 -8.447 19.198 8 HG3 MET 1 HG1 MET 1 -4.106 -9.924 18.454 9 HE1 MET 1 HE1 MET 1 -3.118 -5.577 17.527 10 HE2 MET 1 HE2 MET 1 -3.478 -6.299 19.093 11 HE3 MET 1 HE3 MET 1 -4.744 -6.186 17.873 12 H GLY 2 HN GLY 2 -3.412 -11.407 16.114 13 HA2 GLY 2 HA2 GLY 2 -3.886 -13.361 17.997 14 HA3 GLY 2 HA1 GLY 2 -4.682 -13.939 16.537 15 H VAL 3 HN VAL 3 -3.150 -15.703 16.562 16 HA VAL 3 HA VAL 3 -1.227 -16.781 15.908 17 HB VAL 3 HB VAL 3 -0.564 -14.407 14.179 18 HG11 VAL 3 HG11 VAL 3 0.032 -16.169 12.583 19 HG12 VAL 3 HG12 VAL 3 -0.586 -17.402 13.681 20 HG13 VAL 3 HG13 VAL 3 0.840 -16.464 14.121 21 HG21 VAL 3 HG21 VAL 3 -2.258 -15.392 12.541 22 HG22 VAL 3 HG22 VAL 3 -2.939 -14.517 13.910 23 HG23 VAL 3 HG23 VAL 3 -2.927 -16.279 13.911 24 H TRP 4 HN TRP 4 -1.185 -14.264 17.872 25 HA TRP 4 HA TRP 4 1.727 -13.812 17.871 26 HB2 TRP 4 HB2 TRP 4 -0.661 -12.420 19.032 27 HB3 TRP 4 HB1 TRP 4 0.903 -12.198 19.817 28 HD1 TRP 4 HD1 TRP 4 0.656 -12.686 16.051 29 HE1 TRP 4 HE1 TRP 4 1.391 -10.513 14.877 30 HE3 TRP 4 HE3 TRP 4 1.047 -9.593 20.091 31 HZ2 TRP 4 HZ2 TRP 4 2.058 -7.817 15.563 32 HZ3 TRP 4 HZ3 TRP 4 1.735 -7.230 19.805 33 HH2 TRP 4 HH2 TRP 4 2.240 -6.338 17.546 34 H THR 5 HN THR 5 2.986 -14.898 19.160 35 HA THR 5 HA THR 5 2.371 -15.522 21.857 36 HB THR 5 HB THR 5 2.658 -17.973 20.119 37 HG1 THR 5 HG1 THR 5 0.223 -16.948 21.118 38 HG21 THR 5 HG21 THR 5 1.915 -19.124 22.066 39 HG22 THR 5 HG22 THR 5 1.372 -17.630 22.828 40 HG23 THR 5 HG23 THR 5 3.095 -17.947 22.638 41 HA PRO 6 HA PRO 6 6.826 -15.638 20.091 42 HB2 PRO 6 HB2 PRO 6 7.629 -13.164 21.011 43 HB3 PRO 6 HB1 PRO 6 6.923 -13.423 19.404 44 HG2 PRO 6 HG2 PRO 6 5.587 -12.501 21.912 45 HG3 PRO 6 HG1 PRO 6 5.459 -11.838 20.275 46 HD2 PRO 6 HD2 PRO 6 3.550 -13.458 21.249 47 HD3 PRO 6 HD1 PRO 6 4.061 -13.565 19.546 48 H GLU 7 HN GLU 7 8.854 -15.217 21.535 49 HA GLU 7 HA GLU 7 8.795 -16.794 23.803 50 HB2 GLU 7 HB2 GLU 7 10.855 -15.960 22.612 51 HB3 GLU 7 HB1 GLU 7 10.623 -14.403 23.413 52 HG2 GLU 7 HG2 GLU 7 10.799 -15.465 25.606 53 HG3 GLU 7 HG1 GLU 7 10.925 -17.053 24.853 54 H VAL 8 HN VAL 8 7.559 -13.601 23.403 55 HA VAL 8 HA VAL 8 7.841 -12.459 25.923 56 HB VAL 8 HB VAL 8 5.365 -12.387 24.180 57 HG11 VAL 8 HG11 VAL 8 4.853 -11.435 26.295 58 HG12 VAL 8 HG12 VAL 8 5.201 -10.074 25.231 59 HG13 VAL 8 HG13 VAL 8 6.414 -10.618 26.390 60 HG21 VAL 8 HG21 VAL 8 7.716 -10.475 24.175 61 HG22 VAL 8 HG22 VAL 8 6.365 -10.521 23.040 62 HG23 VAL 8 HG23 VAL 8 7.563 -11.813 23.035 63 H LEU 9 HN LEU 9 5.275 -14.638 24.753 64 HA LEU 9 HA LEU 9 3.957 -14.841 27.262 65 HB2 LEU 9 HB2 LEU 9 2.780 -15.420 25.212 66 HB3 LEU 9 HB1 LEU 9 3.935 -16.708 24.876 67 HG LEU 9 HG LEU 9 3.228 -17.915 26.895 68 HD11 LEU 9 HD11 LEU 9 2.627 -16.322 28.498 69 HD12 LEU 9 HD12 LEU 9 1.047 -16.925 28.002 70 HD13 LEU 9 HD13 LEU 9 1.646 -15.394 27.363 71 HD21 LEU 9 HD21 LEU 9 0.784 -18.269 26.239 72 HD22 LEU 9 HD22 LEU 9 1.969 -18.483 24.951 73 HD23 LEU 9 HD23 LEU 9 1.023 -16.996 25.041 74 H LYS 10 HN LYS 10 6.527 -16.648 25.685 75 HA LYS 10 HA LYS 10 6.647 -18.862 27.399 76 HB2 LYS 10 HB2 LYS 10 7.900 -18.574 25.239 77 HB3 LYS 10 HB1 LYS 10 8.987 -17.480 26.082 78 HG2 LYS 10 HG2 LYS 10 10.001 -19.660 26.078 79 HG3 LYS 10 HG1 LYS 10 9.479 -19.308 27.719 80 HD2 LYS 10 HD2 LYS 10 7.778 -20.887 27.679 81 HD3 LYS 10 HD1 LYS 10 7.522 -20.737 25.943 82 HE2 LYS 10 HE2 LYS 10 9.560 -21.947 25.487 83 HE3 LYS 10 HE1 LYS 10 9.947 -22.019 27.208 84 HZ1 LYS 10 HZ1 LYS 10 7.334 -23.029 26.379 85 HZ2 LYS 10 HZ2 LYS 10 8.375 -23.592 27.598 86 HZ3 LYS 10 HZ3 LYS 10 8.684 -23.973 25.972 87 H ALA 11 HN ALA 11 8.311 -15.719 27.571 88 HA ALA 11 HA ALA 11 9.733 -16.277 29.964 89 HB1 ALA 11 HB1 ALA 11 10.268 -14.427 28.355 90 HB2 ALA 11 HB2 ALA 11 10.185 -13.906 30.038 91 HB3 ALA 11 HB3 ALA 11 8.844 -13.570 28.945 92 H ARG 12 HN ARG 12 6.594 -14.790 29.295 93 HA ARG 12 HA ARG 12 6.020 -14.023 31.966 94 HB2 ARG 12 HB2 ARG 12 4.254 -14.605 29.582 95 HB3 ARG 12 HB1 ARG 12 3.629 -14.008 31.117 96 HG2 ARG 12 HG2 ARG 12 5.906 -12.543 29.790 97 HG3 ARG 12 HG1 ARG 12 4.268 -12.304 29.191 98 HD2 ARG 12 HD2 ARG 12 5.115 -11.921 32.080 99 HD3 ARG 12 HD1 ARG 12 4.904 -10.623 30.912 100 HE ARG 12 HE ARG 12 2.541 -12.135 30.952 101 HH11 ARG 12 HH21 ARG 12 4.456 -10.111 32.995 102 HH12 ARG 12 HH22 ARG 12 3.110 -9.530 33.917 103 HH21 ARG 12 HH11 ARG 12 0.767 -11.384 32.156 104 HH22 ARG 12 HH12 ARG 12 1.020 -10.252 33.442 105 H ALA 13 HN ALA 13 5.250 -16.913 30.066 106 HA ALA 13 HA ALA 13 3.726 -18.201 32.086 107 HB1 ALA 13 HB1 ALA 13 4.316 -20.286 30.723 108 HB2 ALA 13 HB2 ALA 13 5.192 -19.200 29.644 109 HB3 ALA 13 HB3 ALA 13 3.454 -19.007 29.870 110 H SER 14 HN SER 14 7.136 -18.248 31.181 111 HA SER 14 HA SER 14 7.795 -20.087 33.363 112 HB2 SER 14 HB2 SER 14 8.901 -20.405 31.196 113 HB3 SER 14 HB1 SER 14 9.549 -18.769 31.278 114 HG SER 14 HG SER 14 10.589 -19.422 33.248 115 H VAL 15 HN VAL 15 7.116 -16.929 33.184 116 HA VAL 15 HA VAL 15 7.490 -15.149 34.577 117 HB VAL 15 HB VAL 15 9.283 -16.925 36.233 118 HG11 VAL 15 HG11 VAL 15 9.177 -14.505 36.763 119 HG12 VAL 15 HG12 VAL 15 8.497 -15.497 38.051 120 HG13 VAL 15 HG13 VAL 15 7.427 -14.638 36.944 121 HG21 VAL 15 HG21 VAL 15 6.267 -16.857 36.019 122 HG22 VAL 15 HG22 VAL 15 7.071 -17.371 37.503 123 HG23 VAL 15 HG23 VAL 15 7.332 -18.262 36.008 124 H ILE 16 HN ILE 16 10.350 -17.085 33.815 125 HA ILE 16 HA ILE 16 11.795 -14.618 33.114 126 HB ILE 16 HB ILE 16 12.469 -15.289 35.402 127 HG12 ILE 16 HG12 ILE 16 14.661 -15.896 33.407 128 HG13 ILE 16 HG11 ILE 16 14.045 -14.266 33.680 129 HG21 ILE 16 HG21 ILE 16 12.027 -17.747 35.012 130 HG22 ILE 16 HG22 ILE 16 13.569 -17.400 35.794 131 HG23 ILE 16 HG23 ILE 16 13.521 -17.803 34.077 132 HD11 ILE 16 HD11 ILE 16 14.630 -14.421 36.059 133 HD12 ILE 16 HD12 ILE 16 16.051 -14.727 35.062 134 HD13 ILE 16 HD13 ILE 16 15.202 -16.072 35.823 135 H GLY 17 HN GLY 17 13.235 -14.833 31.434 136 HA2 GLY 17 HA2 GLY 17 12.746 -16.616 29.403 137 HA3 GLY 17 HA1 GLY 17 14.286 -15.785 29.615 138 H LYS 18 HN LYS 18 13.150 -18.707 29.056 139 HA LYS 18 HA LYS 18 15.480 -20.066 29.953 140 HB2 LYS 18 HB2 LYS 18 14.140 -19.833 32.099 141 HB3 LYS 18 HB1 LYS 18 12.953 -20.914 31.366 142 HG2 LYS 18 HG2 LYS 18 14.631 -22.658 31.104 143 HG3 LYS 18 HG1 LYS 18 15.896 -21.574 31.686 144 HD2 LYS 18 HD2 LYS 18 14.553 -21.358 33.836 145 HD3 LYS 18 HD1 LYS 18 13.564 -22.696 33.249 146 HE2 LYS 18 HE2 LYS 18 15.383 -23.503 34.720 147 HE3 LYS 18 HE1 LYS 18 15.566 -24.117 33.077 148 HZ1 LYS 18 HZ1 LYS 18 17.638 -23.221 34.084 149 HZ2 LYS 18 HZ2 LYS 18 16.925 -21.678 34.081 150 HZ3 LYS 18 HZ3 LYS 18 17.211 -22.489 32.615 151 HA PRO 19 HA PRO 19 12.763 -21.909 26.578 152 HB2 PRO 19 HB2 PRO 19 14.539 -21.593 24.508 153 HB3 PRO 19 HB1 PRO 19 13.343 -20.363 24.962 154 HG2 PRO 19 HG2 PRO 19 16.245 -20.521 25.638 155 HG3 PRO 19 HG1 PRO 19 15.275 -19.115 25.167 156 HD2 PRO 19 HD2 PRO 19 15.946 -19.623 27.759 157 HD3 PRO 19 HD1 PRO 19 14.432 -18.807 27.314 158 H ILE 20 HN ILE 20 13.089 -23.936 25.498 159 HA ILE 20 HA ILE 20 14.497 -25.861 26.893 160 HB ILE 20 HB ILE 20 12.712 -26.364 25.258 161 HG12 ILE 20 HG12 ILE 20 15.288 -27.721 24.420 162 HG13 ILE 20 HG11 ILE 20 14.506 -28.044 25.974 163 HG21 ILE 20 HG21 ILE 20 13.599 -24.681 23.568 164 HG22 ILE 20 HG22 ILE 20 13.106 -26.233 22.894 165 HG23 ILE 20 HG23 ILE 20 14.818 -25.882 23.136 166 HD11 ILE 20 HD11 ILE 20 13.268 -28.438 23.229 167 HD12 ILE 20 HD12 ILE 20 12.413 -28.654 24.756 168 HD13 ILE 20 HD13 ILE 20 13.765 -29.710 24.345 169 H GLY 21 HN GLY 21 16.488 -26.790 26.742 170 HA2 GLY 21 HA2 GLY 21 18.668 -25.224 25.856 171 HA3 GLY 21 HA1 GLY 21 18.752 -26.911 26.358 172 H GLU 22 HN GLU 22 20.165 -25.647 24.167 173 HA GLU 22 HA GLU 22 20.904 -26.444 22.118 174 HB2 GLU 22 HB2 GLU 22 19.587 -28.610 22.836 175 HB3 GLU 22 HB1 GLU 22 18.376 -28.027 21.697 176 HG2 GLU 22 HG2 GLU 22 20.074 -27.945 19.918 177 HG3 GLU 22 HG1 GLU 22 21.292 -28.528 21.054 178 H SER 23 HN SER 23 20.336 -26.114 19.825 179 HA SER 23 HA SER 23 18.865 -23.688 19.488 180 HB2 SER 23 HB2 SER 23 20.207 -25.581 17.564 181 HB3 SER 23 HB1 SER 23 19.298 -24.176 17.010 182 HG SER 23 HG SER 23 21.666 -23.959 17.474 183 H TYR 24 HN TYR 24 17.998 -26.992 19.485 184 HA TYR 24 HA TYR 24 15.990 -27.246 17.627 185 HB2 TYR 24 HB2 TYR 24 16.759 -28.995 19.283 186 HB3 TYR 24 HB1 TYR 24 15.728 -28.211 20.481 187 HD1 TYR 24 HD1 TYR 24 15.774 -30.059 17.278 188 HD2 TYR 24 HD2 TYR 24 13.312 -28.355 20.358 189 HE1 TYR 24 HE1 TYR 24 13.807 -31.264 16.372 190 HE2 TYR 24 HE2 TYR 24 11.344 -29.561 19.451 191 HH TYR 24 HH TYR 24 10.584 -30.599 17.458 192 H LYS 25 HN LYS 25 16.145 -24.973 20.128 193 HA LYS 25 HA LYS 25 13.374 -24.633 20.693 194 HB2 LYS 25 HB2 LYS 25 14.047 -22.517 21.678 195 HB3 LYS 25 HB1 LYS 25 15.200 -23.768 22.133 196 HG2 LYS 25 HG2 LYS 25 16.673 -23.018 20.246 197 HG3 LYS 25 HG1 LYS 25 15.556 -21.682 19.963 198 HD2 LYS 25 HD2 LYS 25 15.924 -20.862 22.251 199 HD3 LYS 25 HD1 LYS 25 17.019 -22.208 22.566 200 HE2 LYS 25 HE2 LYS 25 18.327 -20.227 21.994 201 HE3 LYS 25 HE1 LYS 25 18.472 -21.417 20.700 202 HZ1 LYS 25 HZ1 LYS 25 17.323 -20.139 19.270 203 HZ2 LYS 25 HZ2 LYS 25 17.826 -18.875 20.287 204 HZ3 LYS 25 HZ3 LYS 25 16.271 -19.539 20.458 205 H ARG 26 HN ARG 26 14.556 -24.603 17.797 206 HA ARG 26 HA ARG 26 14.045 -22.073 16.677 207 HB2 ARG 26 HB2 ARG 26 15.322 -23.860 15.550 208 HB3 ARG 26 HB1 ARG 26 13.836 -24.794 15.377 209 HG2 ARG 26 HG2 ARG 26 12.831 -22.980 14.041 210 HG3 ARG 26 HG1 ARG 26 14.293 -22.015 14.238 211 HD2 ARG 26 HD2 ARG 26 14.347 -23.110 12.068 212 HD3 ARG 26 HD1 ARG 26 15.586 -23.818 13.101 213 HE ARG 26 HE ARG 26 13.167 -25.296 13.324 214 HH11 ARG 26 HH21 ARG 26 15.803 -24.616 11.189 215 HH12 ARG 26 HH22 ARG 26 15.718 -26.142 10.374 216 HH21 ARG 26 HH11 ARG 26 13.047 -27.297 12.259 217 HH22 ARG 26 HH12 ARG 26 14.158 -27.660 10.980 218 H ILE 27 HN ILE 27 12.013 -24.899 17.240 219 HA ILE 27 HA ILE 27 9.775 -24.144 15.802 220 HB ILE 27 HB ILE 27 9.781 -26.302 16.743 221 HG12 ILE 27 HG12 ILE 27 7.569 -24.730 17.009 222 HG13 ILE 27 HG11 ILE 27 7.593 -26.422 17.460 223 HG21 ILE 27 HG21 ILE 27 11.335 -26.073 18.539 224 HG22 ILE 27 HG22 ILE 27 9.830 -26.627 19.271 225 HG23 ILE 27 HG23 ILE 27 10.302 -24.936 19.396 226 HD11 ILE 27 HD11 ILE 27 8.282 -24.269 19.466 227 HD12 ILE 27 HD12 ILE 27 7.817 -25.935 19.769 228 HD13 ILE 27 HD13 ILE 27 6.628 -24.775 19.189 229 H LEU 28 HN LEU 28 10.798 -23.209 19.035 230 HA LEU 28 HA LEU 28 8.469 -21.793 19.736 231 HB2 LEU 28 HB2 LEU 28 10.160 -22.509 21.378 232 HB3 LEU 28 HB1 LEU 28 11.318 -21.376 20.685 233 HG LEU 28 HG LEU 28 9.790 -19.496 21.250 234 HD11 LEU 28 HD11 LEU 28 7.612 -20.309 21.305 235 HD12 LEU 28 HD12 LEU 28 7.968 -20.238 23.028 236 HD13 LEU 28 HD13 LEU 28 8.064 -21.777 22.173 237 HD21 LEU 28 HD21 LEU 28 11.492 -19.926 22.853 238 HD22 LEU 28 HD22 LEU 28 10.676 -21.371 23.450 239 HD23 LEU 28 HD23 LEU 28 10.005 -19.775 23.782 240 H ALA 29 HN ALA 29 11.530 -20.754 18.283 241 HA ALA 29 HA ALA 29 10.673 -18.002 18.048 242 HB1 ALA 29 HB1 ALA 29 13.086 -19.426 16.898 243 HB2 ALA 29 HB2 ALA 29 13.039 -18.537 18.421 244 HB3 ALA 29 HB3 ALA 29 12.824 -17.682 16.894 245 H LYS 30 HN LYS 30 10.377 -20.871 16.213 246 HA LYS 30 HA LYS 30 10.375 -19.988 13.582 247 HB2 LYS 30 HB2 LYS 30 10.092 -22.347 14.337 248 HB3 LYS 30 HB1 LYS 30 8.430 -21.971 14.785 249 HG2 LYS 30 HG2 LYS 30 7.958 -21.295 12.457 250 HG3 LYS 30 HG1 LYS 30 9.616 -21.681 12.008 251 HD2 LYS 30 HD2 LYS 30 7.773 -23.714 13.274 252 HD3 LYS 30 HD1 LYS 30 7.850 -23.471 11.535 253 HE2 LYS 30 HE2 LYS 30 10.378 -23.855 11.730 254 HE3 LYS 30 HE1 LYS 30 10.061 -24.417 13.370 255 HZ1 LYS 30 HZ1 LYS 30 9.278 -25.616 10.815 256 HZ2 LYS 30 HZ2 LYS 30 8.288 -25.864 12.174 257 HZ3 LYS 30 HZ3 LYS 30 9.916 -26.351 12.204 258 H LEU 31 HN LEU 31 8.180 -19.296 16.145 259 HA LEU 31 HA LEU 31 5.866 -18.641 14.693 260 HB2 LEU 31 HB2 LEU 31 5.925 -18.832 17.157 261 HB3 LEU 31 HB1 LEU 31 6.912 -17.374 17.239 262 HG LEU 31 HG LEU 31 5.088 -16.089 16.149 263 HD11 LEU 31 HD11 LEU 31 3.844 -18.819 16.025 264 HD12 LEU 31 HD12 LEU 31 3.814 -17.516 14.841 265 HD13 LEU 31 HD13 LEU 31 2.783 -17.431 16.264 266 HD21 LEU 31 HD21 LEU 31 4.461 -17.638 18.667 267 HD22 LEU 31 HD22 LEU 31 3.428 -16.336 18.076 268 HD23 LEU 31 HD23 LEU 31 5.100 -16.001 18.525 269 H GLN 32 HN GLN 32 8.738 -16.744 15.530 270 HA GLN 32 HA GLN 32 7.939 -14.229 14.699 271 HB2 GLN 32 HB2 GLN 32 10.646 -15.556 14.429 272 HB3 GLN 32 HB1 GLN 32 10.359 -13.828 14.217 273 HG2 GLN 32 HG2 GLN 32 9.655 -15.371 16.727 274 HG3 GLN 32 HG1 GLN 32 11.138 -14.440 16.527 275 HE21 GLN 32 HE21 GLN 32 8.172 -14.188 17.926 276 HE22 GLN 32 HE22 GLN 32 7.923 -12.514 17.790 277 H ARG 33 HN ARG 33 9.093 -16.960 12.776 278 HA ARG 33 HA ARG 33 9.239 -15.571 10.299 279 HB2 ARG 33 HB2 ARG 33 10.342 -17.755 10.708 280 HB3 ARG 33 HB1 ARG 33 8.755 -18.520 10.784 281 HG2 ARG 33 HG2 ARG 33 8.282 -17.788 8.474 282 HG3 ARG 33 HG1 ARG 33 9.862 -17.011 8.396 283 HD2 ARG 33 HD2 ARG 33 9.450 -19.961 8.938 284 HD3 ARG 33 HD1 ARG 33 9.801 -19.291 7.348 285 HE ARG 33 HE ARG 33 11.778 -18.337 9.063 286 HH11 ARG 33 HH21 ARG 33 10.561 -21.362 7.908 287 HH12 ARG 33 HH22 ARG 33 12.092 -22.169 7.994 288 HH21 ARG 33 HH11 ARG 33 13.789 -19.385 9.175 289 HH22 ARG 33 HH12 ARG 33 13.920 -21.048 8.711 290 H ILE 34 HN ILE 34 6.701 -17.452 11.897 291 HA ILE 34 HA ILE 34 4.831 -17.222 9.737 292 HB ILE 34 HB ILE 34 4.451 -17.942 12.649 293 HG12 ILE 34 HG12 ILE 34 4.428 -19.693 10.181 294 HG13 ILE 34 HG11 ILE 34 5.864 -19.447 11.172 295 HG21 ILE 34 HG21 ILE 34 2.280 -18.937 11.714 296 HG22 ILE 34 HG22 ILE 34 2.560 -17.935 10.289 297 HG23 ILE 34 HG23 ILE 34 2.328 -17.180 11.867 298 HD11 ILE 34 HD11 ILE 34 3.262 -20.360 12.397 299 HD12 ILE 34 HD12 ILE 34 4.896 -20.512 13.043 300 HD13 ILE 34 HD13 ILE 34 4.387 -21.507 11.679 301 H HIS 35 HN HIS 35 5.744 -15.241 12.431 302 HA HIS 35 HA HIS 35 3.416 -13.713 12.775 303 HB2 HIS 35 HB2 HIS 35 5.342 -13.618 14.314 304 HB3 HIS 35 HB1 HIS 35 6.302 -12.836 13.058 305 HD2 HIS 35 HD2 HIS 35 3.442 -11.938 15.571 306 HE1 HIS 35 HE1 HIS 35 4.489 -8.424 13.478 307 HE2 HIS 35 HE2 HIS 35 3.122 -9.352 15.406 308 H ASN 36 HN ASN 36 6.176 -13.275 10.580 309 HA ASN 36 HA ASN 36 4.994 -10.924 9.358 310 HB2 ASN 36 HB2 ASN 36 6.970 -11.223 7.758 311 HB3 ASN 36 HB1 ASN 36 7.361 -10.892 9.446 312 HD21 ASN 36 HD21 ASN 36 8.426 -12.760 6.987 313 HD22 ASN 36 HD22 ASN 36 8.933 -14.134 7.844 314 H SER 37 HN SER 37 5.505 -14.332 8.536 315 HA SER 37 HA SER 37 4.130 -14.020 5.974 316 HB2 SER 37 HB2 SER 37 5.402 -16.422 7.298 317 HB3 SER 37 HB1 SER 37 4.674 -16.424 5.694 318 HG SER 37 HG SER 37 6.701 -15.925 5.217 319 H ASN 38 HN ASN 38 2.906 -13.852 8.808 320 HA ASN 38 HA ASN 38 1.274 -15.958 9.438 321 HB2 ASN 38 HB2 ASN 38 -0.303 -14.327 10.358 322 HB3 ASN 38 HB1 ASN 38 1.355 -13.847 10.714 323 HD21 ASN 38 HD21 ASN 38 -0.697 -11.889 10.710 324 HD22 ASN 38 HD22 ASN 38 -0.477 -10.863 9.375 325 H ILE 39 HN ILE 39 -0.154 -17.107 8.342 326 HA ILE 39 HA ILE 39 -1.735 -17.737 6.802 327 HB ILE 39 HB ILE 39 -2.415 -14.807 6.587 328 HG12 ILE 39 HG12 ILE 39 -3.355 -16.819 8.621 329 HG13 ILE 39 HG11 ILE 39 -2.251 -15.493 8.962 330 HG21 ILE 39 HG21 ILE 39 -4.183 -17.252 6.459 331 HG22 ILE 39 HG22 ILE 39 -3.444 -16.539 5.026 332 HG23 ILE 39 HG23 ILE 39 -4.589 -15.602 5.983 333 HD11 ILE 39 HD11 ILE 39 -4.018 -13.905 8.143 334 HD12 ILE 39 HD12 ILE 39 -4.475 -14.791 9.598 335 HD13 ILE 39 HD13 ILE 39 -5.123 -15.275 8.032 336 H LEU 40 HN LEU 40 0.489 -17.942 5.600 337 HA LEU 40 HA LEU 40 0.301 -16.399 3.071 338 HB2 LEU 40 HB2 LEU 40 2.350 -15.884 4.414 339 HB3 LEU 40 HB1 LEU 40 2.805 -17.579 4.285 340 HG LEU 40 HG LEU 40 2.761 -17.367 1.798 341 HD11 LEU 40 HD11 LEU 40 1.966 -14.558 2.517 342 HD12 LEU 40 HD12 LEU 40 1.371 -15.592 1.217 343 HD13 LEU 40 HD13 LEU 40 2.944 -14.818 1.073 344 HD21 LEU 40 HD21 LEU 40 4.867 -17.126 3.054 345 HD22 LEU 40 HD22 LEU 40 4.567 -15.398 3.240 346 HD23 LEU 40 HD23 LEU 40 4.860 -16.076 1.638 347 H ASP 41 HN ASP 41 0.340 -17.515 1.184 348 HA ASP 41 HA ASP 41 -0.540 -20.146 1.083 349 HB2 ASP 41 HB2 ASP 41 -0.744 -18.627 -0.812 350 HB3 ASP 41 HB1 ASP 41 1.008 -18.606 -1.005 351 H GLU 42 HN GLU 42 2.769 -18.903 0.846 352 HA GLU 42 HA GLU 42 3.948 -21.467 0.382 353 HB2 GLU 42 HB2 GLU 42 5.020 -19.327 -0.240 354 HB3 GLU 42 HB1 GLU 42 5.209 -18.948 1.471 355 HG2 GLU 42 HG2 GLU 42 6.597 -20.947 1.790 356 HG3 GLU 42 HG1 GLU 42 6.362 -21.399 0.104 357 H ARG 43 HN ARG 43 3.529 -19.427 3.262 358 HA ARG 43 HA ARG 43 4.850 -21.318 4.989 359 HB2 ARG 43 HB2 ARG 43 4.572 -18.719 5.247 360 HB3 ARG 43 HB1 ARG 43 3.047 -19.146 6.014 361 HG2 ARG 43 HG2 ARG 43 4.377 -19.253 7.897 362 HG3 ARG 43 HG1 ARG 43 4.679 -20.888 7.318 363 HD2 ARG 43 HD2 ARG 43 6.381 -18.457 6.712 364 HD3 ARG 43 HD1 ARG 43 6.783 -19.714 7.876 365 HE ARG 43 HE ARG 43 6.491 -21.180 5.663 366 HH11 ARG 43 HH21 ARG 43 8.040 -18.128 6.175 367 HH12 ARG 43 HH22 ARG 43 9.225 -18.366 4.937 368 HH21 ARG 43 HH11 ARG 43 8.042 -21.497 4.034 369 HH22 ARG 43 HH12 ARG 43 9.228 -20.273 3.725 370 H GLN 44 HN GLN 44 1.678 -20.953 3.766 371 HA GLN 44 HA GLN 44 0.071 -21.928 5.801 372 HB2 GLN 44 HB2 GLN 44 -0.055 -21.823 2.846 373 HB3 GLN 44 HB1 GLN 44 -1.040 -23.101 3.552 374 HG2 GLN 44 HG2 GLN 44 -2.203 -21.492 4.952 375 HG3 GLN 44 HG1 GLN 44 -1.145 -20.195 4.414 376 HE21 GLN 44 HE21 GLN 44 -3.565 -19.441 3.873 377 HE22 GLN 44 HE22 GLN 44 -4.069 -19.775 2.288 378 H GLY 45 HN GLY 45 2.190 -23.691 3.604 379 HA2 GLY 45 HA2 GLY 45 1.319 -26.291 4.289 380 HA3 GLY 45 HA1 GLY 45 2.883 -25.881 3.589 381 H LEU 46 HN LEU 46 3.620 -24.057 5.710 382 HA LEU 46 HA LEU 46 4.885 -25.904 7.423 383 HB2 LEU 46 HB2 LEU 46 5.241 -23.220 6.814 384 HB3 LEU 46 HB1 LEU 46 4.697 -23.151 8.485 385 HG LEU 46 HG LEU 46 6.972 -24.912 7.508 386 HD11 LEU 46 HD11 LEU 46 8.447 -23.257 8.570 387 HD12 LEU 46 HD12 LEU 46 7.052 -22.260 8.983 388 HD13 LEU 46 HD13 LEU 46 7.496 -22.499 7.292 389 HD21 LEU 46 HD21 LEU 46 7.446 -25.094 9.941 390 HD22 LEU 46 HD22 LEU 46 5.850 -25.723 9.550 391 HD23 LEU 46 HD23 LEU 46 6.011 -24.123 10.280 392 H MET 47 HN MET 47 1.984 -23.956 7.749 393 HA MET 47 HA MET 47 1.545 -24.305 10.496 394 HB2 MET 47 HB2 MET 47 -0.245 -23.760 8.141 395 HB3 MET 47 HB1 MET 47 -0.947 -24.039 9.734 396 HG2 MET 47 HG2 MET 47 -0.582 -21.636 9.343 397 HG3 MET 47 HG1 MET 47 0.434 -22.216 10.663 398 HE1 MET 47 HE1 MET 47 2.071 -19.394 8.199 399 HE2 MET 47 HE2 MET 47 0.787 -19.615 9.382 400 HE3 MET 47 HE3 MET 47 0.476 -19.949 7.681 401 H HIS 48 HN HIS 48 0.692 -26.331 7.720 402 HA HIS 48 HA HIS 48 -0.926 -28.180 9.104 403 HB2 HIS 48 HB2 HIS 48 -0.835 -28.050 6.653 404 HB3 HIS 48 HB1 HIS 48 0.831 -28.618 6.682 405 HD2 HIS 48 HD2 HIS 48 -2.683 -30.118 6.559 406 HE1 HIS 48 HE1 HIS 48 -0.129 -33.241 7.794 407 HE2 HIS 48 HE2 HIS 48 -2.466 -32.684 6.973 408 H GLU 49 HN GLU 49 2.538 -28.354 8.244 409 HA GLU 49 HA GLU 49 2.973 -30.782 9.697 410 HB2 GLU 49 HB2 GLU 49 4.366 -29.946 7.758 411 HB3 GLU 49 HB1 GLU 49 5.060 -28.762 8.866 412 HG2 GLU 49 HG2 GLU 49 6.541 -30.653 8.861 413 HG3 GLU 49 HG1 GLU 49 5.667 -30.696 10.390 414 H LEU 50 HN LEU 50 3.451 -27.353 10.365 415 HA LEU 50 HA LEU 50 4.864 -27.629 12.777 416 HB2 LEU 50 HB2 LEU 50 4.691 -25.503 11.558 417 HB3 LEU 50 HB1 LEU 50 2.984 -25.412 11.953 418 HG LEU 50 HG LEU 50 3.547 -25.376 14.363 419 HD11 LEU 50 HD11 LEU 50 6.325 -25.742 13.271 420 HD12 LEU 50 HD12 LEU 50 5.567 -26.498 14.673 421 HD13 LEU 50 HD13 LEU 50 6.113 -24.828 14.763 422 HD21 LEU 50 HD21 LEU 50 4.282 -23.110 14.429 423 HD22 LEU 50 HD22 LEU 50 3.423 -23.280 12.899 424 HD23 LEU 50 HD23 LEU 50 5.187 -23.287 12.925 425 H MET 51 HN MET 51 1.395 -27.421 12.081 426 HA MET 51 HA MET 51 0.354 -27.186 14.627 427 HB2 MET 51 HB2 MET 51 -1.013 -27.164 12.577 428 HB3 MET 51 HB1 MET 51 -0.723 -28.891 12.367 429 HG2 MET 51 HG2 MET 51 -1.862 -29.387 14.455 430 HG3 MET 51 HG1 MET 51 -2.030 -27.669 14.812 431 HE1 MET 51 HE1 MET 51 -3.786 -30.728 13.386 432 HE2 MET 51 HE2 MET 51 -2.551 -30.352 12.187 433 HE3 MET 51 HE3 MET 51 -4.255 -30.224 11.756 434 H GLU 52 HN GLU 52 1.336 -30.159 12.939 435 HA GLU 52 HA GLU 52 0.620 -31.916 15.058 436 HB2 GLU 52 HB2 GLU 52 2.551 -32.213 12.750 437 HB3 GLU 52 HB1 GLU 52 2.132 -33.523 13.855 438 HG2 GLU 52 HG2 GLU 52 -0.214 -33.359 13.238 439 HG3 GLU 52 HG1 GLU 52 0.114 -31.950 12.230 440 H LEU 53 HN LEU 53 3.658 -30.341 14.122 441 HA LEU 53 HA LEU 53 5.290 -31.563 16.079 442 HB2 LEU 53 HB2 LEU 53 5.532 -28.900 14.669 443 HB3 LEU 53 HB1 LEU 53 6.804 -29.611 15.663 444 HG LEU 53 HG LEU 53 5.544 -31.010 13.285 445 HD11 LEU 53 HD11 LEU 53 8.019 -29.281 13.471 446 HD12 LEU 53 HD12 LEU 53 6.647 -29.107 12.376 447 HD13 LEU 53 HD13 LEU 53 7.771 -30.450 12.172 448 HD21 LEU 53 HD21 LEU 53 7.879 -32.238 13.499 449 HD22 LEU 53 HD22 LEU 53 6.551 -32.709 14.550 450 HD23 LEU 53 HD23 LEU 53 7.821 -31.647 15.158 451 H ILE 54 HN ILE 54 3.385 -28.578 16.108 452 HA ILE 54 HA ILE 54 4.303 -27.655 18.599 453 HB ILE 54 HB ILE 54 1.817 -27.171 16.988 454 HG12 ILE 54 HG12 ILE 54 4.164 -26.158 16.511 455 HG13 ILE 54 HG11 ILE 54 2.771 -25.096 16.515 456 HG21 ILE 54 HG21 ILE 54 0.849 -26.872 19.094 457 HG22 ILE 54 HG22 ILE 54 1.443 -25.252 18.746 458 HG23 ILE 54 HG23 ILE 54 2.346 -26.316 19.819 459 HD11 ILE 54 HD11 ILE 54 3.309 -24.146 18.582 460 HD12 ILE 54 HD12 ILE 54 4.879 -24.321 17.803 461 HD13 ILE 54 HD13 ILE 54 4.370 -25.469 19.036 462 H ASP 55 HN ASP 55 1.426 -29.553 17.758 463 HA ASP 55 HA ASP 55 0.488 -29.805 20.405 464 HB2 ASP 55 HB2 ASP 55 -0.930 -30.186 18.417 465 HB3 ASP 55 HB1 ASP 55 0.002 -31.635 18.042 466 H LEU 56 HN LEU 56 3.061 -31.280 18.736 467 HA LEU 56 HA LEU 56 3.105 -33.681 20.354 468 HB2 LEU 56 HB2 LEU 56 4.840 -32.508 18.218 469 HB3 LEU 56 HB1 LEU 56 5.467 -33.822 19.205 470 HG LEU 56 HG LEU 56 2.784 -33.969 17.812 471 HD11 LEU 56 HD11 LEU 56 4.270 -33.670 16.000 472 HD12 LEU 56 HD12 LEU 56 4.108 -35.421 16.135 473 HD13 LEU 56 HD13 LEU 56 5.544 -34.616 16.770 474 HD21 LEU 56 HD21 LEU 56 4.569 -35.917 19.264 475 HD22 LEU 56 HD22 LEU 56 3.543 -36.512 17.964 476 HD23 LEU 56 HD23 LEU 56 2.818 -35.720 19.356 477 H TYR 57 HN TYR 57 5.064 -30.714 20.129 478 HA TYR 57 HA TYR 57 6.610 -31.486 22.485 479 HB2 TYR 57 HB2 TYR 57 6.698 -29.150 20.584 480 HB3 TYR 57 HB1 TYR 57 7.710 -29.234 22.030 481 HD1 TYR 57 HD2 TYR 57 9.151 -31.349 22.354 482 HD2 TYR 57 HD1 TYR 57 7.366 -30.264 18.602 483 HE1 TYR 57 HE2 TYR 57 10.755 -32.816 21.164 484 HE2 TYR 57 HE1 TYR 57 8.967 -31.734 17.413 485 HH TYR 57 HH TYR 57 11.738 -32.820 18.667 486 H GLU 58 HN GLU 58 4.834 -28.527 21.582 487 HA GLU 58 HA GLU 58 4.767 -27.328 24.057 488 HB2 GLU 58 HB2 GLU 58 2.597 -27.275 21.945 489 HB3 GLU 58 HB1 GLU 58 2.721 -26.169 23.311 490 HG2 GLU 58 HG2 GLU 58 4.866 -26.513 21.198 491 HG3 GLU 58 HG1 GLU 58 3.701 -25.191 21.253 492 H GLU 59 HN GLU 59 3.124 -30.173 23.076 493 HA GLU 59 HA GLU 59 1.130 -30.024 25.201 494 HB2 GLU 59 HB2 GLU 59 0.636 -31.056 23.012 495 HB3 GLU 59 HB1 GLU 59 1.825 -32.315 23.376 496 HG2 GLU 59 HG2 GLU 59 0.557 -32.971 25.362 497 HG3 GLU 59 HG1 GLU 59 -0.602 -31.675 25.072 498 H SER 60 HN SER 60 4.177 -31.685 24.520 499 HA SER 60 HA SER 60 4.041 -33.178 27.043 500 HB2 SER 60 HB2 SER 60 6.043 -34.297 26.251 501 HB3 SER 60 HB1 SER 60 4.816 -34.301 24.988 502 HG SER 60 HG SER 60 7.282 -33.221 24.977 503 H GLN 61 HN GLN 61 5.328 -30.243 25.840 504 HA GLN 61 HA GLN 61 7.633 -30.071 27.507 505 HB2 GLN 61 HB2 GLN 61 6.552 -28.561 25.405 506 HB3 GLN 61 HB1 GLN 61 6.508 -27.467 26.782 507 HG2 GLN 61 HG2 GLN 61 8.936 -28.111 27.206 508 HG3 GLN 61 HG1 GLN 61 8.906 -28.897 25.626 509 HE21 GLN 61 HE21 GLN 61 7.520 -27.186 24.010 510 HE22 GLN 61 HE22 GLN 61 8.248 -25.653 23.975 511 HA PRO 62 HA PRO 62 4.888 -27.852 30.596 512 HB2 PRO 62 HB2 PRO 62 2.285 -27.291 29.943 513 HB3 PRO 62 HB1 PRO 62 3.650 -26.292 29.414 514 HG2 PRO 62 HG2 PRO 62 1.930 -28.022 27.825 515 HG3 PRO 62 HG1 PRO 62 3.109 -26.829 27.276 516 HD2 PRO 62 HD2 PRO 62 3.421 -29.752 27.518 517 HD3 PRO 62 HD1 PRO 62 4.441 -28.584 26.661 518 H SER 63 HN SER 63 5.062 -29.816 31.722 519 HA SER 63 HA SER 63 2.999 -31.823 31.652 520 HB2 SER 63 HB2 SER 63 5.435 -32.250 32.209 521 HB3 SER 63 HB1 SER 63 5.146 -31.444 33.749 522 HG SER 63 HG SER 63 3.844 -33.748 32.719 523 H SER 64 HN SER 64 3.276 -28.775 33.050 524 HA SER 64 HA SER 64 1.869 -29.298 35.510 525 HB2 SER 64 HB2 SER 64 1.641 -26.748 35.484 526 HB3 SER 64 HB1 SER 64 3.279 -27.395 35.531 527 HG SER 64 HG SER 64 3.523 -26.200 33.816 528 H GLU 65 HN GLU 65 0.665 -30.158 32.906 529 HA GLU 65 HA GLU 65 -1.397 -30.221 31.890 530 HB2 GLU 65 HB2 GLU 65 -2.153 -29.230 34.644 531 HB3 GLU 65 HB1 GLU 65 -3.334 -29.702 33.423 532 HG2 GLU 65 HG2 GLU 65 -3.001 -31.645 34.762 533 HG3 GLU 65 HG1 GLU 65 -2.085 -31.937 33.287 534 H ARG 66 HN ARG 66 0.248 -27.610 32.084 535 HA ARG 66 HA ARG 66 -1.719 -25.524 31.818 536 HB2 ARG 66 HB2 ARG 66 1.249 -25.629 31.300 537 HB3 ARG 66 HB1 ARG 66 0.275 -24.179 31.050 538 HG2 ARG 66 HG2 ARG 66 -0.440 -24.239 33.402 539 HG3 ARG 66 HG1 ARG 66 0.503 -25.706 33.660 540 HD2 ARG 66 HD2 ARG 66 1.811 -23.818 34.440 541 HD3 ARG 66 HD1 ARG 66 2.555 -24.437 32.968 542 HE ARG 66 HE ARG 66 0.710 -22.390 32.309 543 HH11 ARG 66 HH21 ARG 66 3.773 -22.942 33.822 544 HH12 ARG 66 HH22 ARG 66 4.420 -21.393 33.392 545 HH21 ARG 66 HH11 ARG 66 1.550 -20.359 31.743 546 HH22 ARG 66 HH12 ARG 66 3.160 -19.931 32.215 547 H LEU 67 HN LEU 67 -0.449 -27.914 29.747 548 HA LEU 67 HA LEU 67 -0.258 -26.818 27.261 549 HB2 LEU 67 HB2 LEU 67 -1.239 -28.932 26.379 550 HB3 LEU 67 HB1 LEU 67 0.003 -29.196 27.590 551 HG LEU 67 HG LEU 67 -2.301 -29.041 29.156 552 HD11 LEU 67 HD11 LEU 67 -3.663 -29.068 27.061 553 HD12 LEU 67 HD12 LEU 67 -3.987 -30.439 28.121 554 HD13 LEU 67 HD13 LEU 67 -2.988 -30.652 26.683 555 HD21 LEU 67 HD21 LEU 67 -2.041 -31.476 29.415 556 HD22 LEU 67 HD22 LEU 67 -0.462 -30.690 29.367 557 HD23 LEU 67 HD23 LEU 67 -1.066 -31.539 27.944 558 H ASN 68 HN ASN 68 -3.075 -26.946 29.260 559 HA ASN 68 HA ASN 68 -5.183 -26.832 27.496 560 HB2 ASN 68 HB2 ASN 68 -6.329 -25.419 29.169 561 HB3 ASN 68 HB1 ASN 68 -5.491 -26.777 29.917 562 HD21 ASN 68 HD21 ASN 68 -5.341 -25.526 31.957 563 HD22 ASN 68 HD22 ASN 68 -4.204 -24.274 32.109 564 H ALA 69 HN ALA 69 -2.646 -24.531 27.969 565 HA ALA 69 HA ALA 69 -4.029 -22.375 26.571 566 HB1 ALA 69 HB1 ALA 69 -1.809 -21.213 26.837 567 HB2 ALA 69 HB2 ALA 69 -1.241 -22.637 27.708 568 HB3 ALA 69 HB3 ALA 69 -2.580 -21.687 28.350 569 H PHE 70 HN PHE 70 -1.734 -24.920 25.928 570 HA PHE 70 HA PHE 70 -0.577 -23.963 23.564 571 HB2 PHE 70 HB2 PHE 70 0.486 -25.960 23.777 572 HB3 PHE 70 HB1 PHE 70 -0.658 -26.445 25.009 573 HD1 PHE 70 HD2 PHE 70 -0.031 -26.393 21.355 574 HD2 PHE 70 HD1 PHE 70 -2.393 -28.026 24.545 575 HE1 PHE 70 HE2 PHE 70 -1.051 -28.016 19.779 576 HE2 PHE 70 HE1 PHE 70 -3.421 -29.633 22.965 577 HZ PHE 70 HZ PHE 70 -2.749 -29.628 20.583 578 H ARG 71 HN ARG 71 -3.734 -25.254 24.227 579 HA ARG 71 HA ARG 71 -4.482 -25.963 21.614 580 HB2 ARG 71 HB2 ARG 71 -6.127 -25.046 23.972 581 HB3 ARG 71 HB1 ARG 71 -6.824 -25.621 22.453 582 HG2 ARG 71 HG2 ARG 71 -5.658 -27.770 22.708 583 HG3 ARG 71 HG1 ARG 71 -4.919 -27.203 24.207 584 HD2 ARG 71 HD2 ARG 71 -7.140 -26.954 25.227 585 HD3 ARG 71 HD1 ARG 71 -7.900 -27.480 23.727 586 HE ARG 71 HE ARG 71 -6.145 -29.506 24.417 587 HH11 ARG 71 HH21 ARG 71 -8.826 -27.855 25.854 588 HH12 ARG 71 HH22 ARG 71 -9.363 -29.229 26.761 589 HH21 ARG 71 HH11 ARG 71 -6.845 -31.312 25.601 590 HH22 ARG 71 HH12 ARG 71 -8.242 -31.187 26.618 591 H GLU 72 HN GLU 72 -4.493 -22.911 23.344 592 HA GLU 72 HA GLU 72 -6.055 -21.377 21.593 593 HB2 GLU 72 HB2 GLU 72 -3.674 -20.580 23.286 594 HB3 GLU 72 HB1 GLU 72 -4.746 -19.440 22.476 595 HG2 GLU 72 HG2 GLU 72 -6.662 -20.302 23.726 596 HG3 GLU 72 HG1 GLU 72 -5.640 -21.513 24.497 597 H LEU 73 HN LEU 73 -2.530 -21.921 21.642 598 HA LEU 73 HA LEU 73 -1.990 -20.406 19.312 599 HB2 LEU 73 HB2 LEU 73 -0.204 -21.006 20.855 600 HB3 LEU 73 HB1 LEU 73 -0.476 -22.721 20.551 601 HG LEU 73 HG LEU 73 0.196 -22.449 18.208 602 HD11 LEU 73 HD11 LEU 73 1.270 -20.113 17.667 603 HD12 LEU 73 HD12 LEU 73 0.226 -19.530 18.965 604 HD13 LEU 73 HD13 LEU 73 -0.476 -20.304 17.543 605 HD21 LEU 73 HD21 LEU 73 2.179 -21.100 20.065 606 HD22 LEU 73 HD22 LEU 73 2.558 -21.943 18.563 607 HD23 LEU 73 HD23 LEU 73 1.934 -22.842 19.948 608 H ARG 74 HN ARG 74 -2.685 -23.841 19.828 609 HA ARG 74 HA ARG 74 -2.299 -24.669 17.158 610 HB2 ARG 74 HB2 ARG 74 -2.387 -26.297 18.946 611 HB3 ARG 74 HB1 ARG 74 -4.028 -25.808 19.358 612 HG2 ARG 74 HG2 ARG 74 -4.886 -26.631 17.263 613 HG3 ARG 74 HG1 ARG 74 -3.257 -26.935 16.656 614 HD2 ARG 74 HD2 ARG 74 -2.939 -28.579 18.511 615 HD3 ARG 74 HD1 ARG 74 -4.620 -28.329 18.975 616 HE ARG 74 HE ARG 74 -4.418 -29.023 16.213 617 HH11 ARG 74 HH21 ARG 74 -4.227 -30.265 19.433 618 HH12 ARG 74 HH22 ARG 74 -4.713 -31.868 18.995 619 HH21 ARG 74 HH11 ARG 74 -5.058 -31.123 15.624 620 HH22 ARG 74 HH12 ARG 74 -5.183 -32.355 16.836 621 H THR 75 HN THR 75 -4.859 -22.990 18.754 622 HA THR 75 HA THR 75 -6.991 -23.591 17.033 623 HB THR 75 HB THR 75 -6.563 -20.950 18.346 624 HG1 THR 75 HG1 THR 75 -6.315 -22.234 20.031 625 HG21 THR 75 HG21 THR 75 -9.000 -22.583 17.680 626 HG22 THR 75 HG22 THR 75 -8.482 -21.101 16.878 627 HG23 THR 75 HG23 THR 75 -9.022 -21.052 18.554 628 H GLN 76 HN GLN 76 -4.517 -21.062 16.919 629 HA GLN 76 HA GLN 76 -5.477 -19.792 14.564 630 HB2 GLN 76 HB2 GLN 76 -2.846 -19.826 16.038 631 HB3 GLN 76 HB1 GLN 76 -2.980 -19.016 14.473 632 HG2 GLN 76 HG2 GLN 76 -3.391 -17.483 16.403 633 HG3 GLN 76 HG1 GLN 76 -4.768 -17.594 15.310 634 HE21 GLN 76 HE21 GLN 76 -3.707 -18.128 18.573 635 HE22 GLN 76 HE22 GLN 76 -5.161 -18.784 19.154 636 H LEU 77 HN LEU 77 -2.967 -22.254 15.117 637 HA LEU 77 HA LEU 77 -2.214 -22.556 12.405 638 HB2 LEU 77 HB2 LEU 77 -1.941 -24.241 14.881 639 HB3 LEU 77 HB1 LEU 77 -1.510 -24.926 13.315 640 HG LEU 77 HG LEU 77 0.122 -23.180 12.927 641 HD11 LEU 77 HD11 LEU 77 -0.889 -21.229 13.817 642 HD12 LEU 77 HD12 LEU 77 0.511 -21.504 14.852 643 HD13 LEU 77 HD13 LEU 77 -1.097 -21.962 15.404 644 HD21 LEU 77 HD21 LEU 77 1.011 -24.978 14.225 645 HD22 LEU 77 HD22 LEU 77 0.241 -24.389 15.699 646 HD23 LEU 77 HD23 LEU 77 1.586 -23.496 14.986 647 H GLU 78 HN GLU 78 -4.655 -24.124 14.416 648 HA GLU 78 HA GLU 78 -5.456 -26.051 12.486 649 HB2 GLU 78 HB2 GLU 78 -5.956 -26.222 14.912 650 HB3 GLU 78 HB1 GLU 78 -7.069 -24.862 14.756 651 HG2 GLU 78 HG2 GLU 78 -8.410 -26.129 13.126 652 HG3 GLU 78 HG1 GLU 78 -7.289 -27.483 13.245 653 H LYS 79 HN LYS 79 -6.903 -22.938 13.478 654 HA LYS 79 HA LYS 79 -8.940 -22.953 11.516 655 HB2 LYS 79 HB2 LYS 79 -7.680 -20.732 13.126 656 HB3 LYS 79 HB1 LYS 79 -9.009 -20.458 11.999 657 HG2 LYS 79 HG2 LYS 79 -10.370 -22.135 13.222 658 HG3 LYS 79 HG1 LYS 79 -9.048 -22.348 14.372 659 HD2 LYS 79 HD2 LYS 79 -9.189 -19.960 14.980 660 HD3 LYS 79 HD1 LYS 79 -10.511 -19.747 13.835 661 HE2 LYS 79 HE2 LYS 79 -10.611 -21.735 16.117 662 HE3 LYS 79 HE1 LYS 79 -11.242 -20.092 16.239 663 HZ1 LYS 79 HZ1 LYS 79 -12.065 -21.760 13.970 664 HZ2 LYS 79 HZ2 LYS 79 -12.911 -20.516 14.760 665 HZ3 LYS 79 HZ3 LYS 79 -12.772 -22.045 15.486 666 H ALA 80 HN ALA 80 -5.678 -21.610 11.611 667 HA ALA 80 HA ALA 80 -5.828 -20.262 9.130 668 HB1 ALA 80 HB1 ALA 80 -4.070 -19.768 10.770 669 HB2 ALA 80 HB2 ALA 80 -3.366 -20.233 9.222 670 HB3 ALA 80 HB3 ALA 80 -3.407 -21.389 10.554 671 H LEU 81 HN LEU 81 -5.033 -23.549 10.056 672 HA LEU 81 HA LEU 81 -3.951 -24.396 7.591 673 HB2 LEU 81 HB2 LEU 81 -3.665 -25.747 9.579 674 HB3 LEU 81 HB1 LEU 81 -5.408 -25.949 9.739 675 HG LEU 81 HG LEU 81 -5.499 -27.206 7.636 676 HD11 LEU 81 HD11 LEU 81 -3.854 -26.280 6.237 677 HD12 LEU 81 HD12 LEU 81 -3.159 -27.840 6.656 678 HD13 LEU 81 HD13 LEU 81 -2.602 -26.382 7.476 679 HD21 LEU 81 HD21 LEU 81 -4.023 -29.148 8.303 680 HD22 LEU 81 HD22 LEU 81 -5.071 -28.546 9.587 681 HD23 LEU 81 HD23 LEU 81 -3.359 -28.122 9.575 682 H GLY 82 HN GLY 82 -7.260 -24.453 8.864 683 HA2 GLY 82 HA2 GLY 82 -8.310 -25.536 6.364 684 HA3 GLY 82 HA1 GLY 82 -9.225 -25.188 7.826 685 H LEU 83 HN LEU 83 -8.060 -22.506 8.050 686 HA LEU 83 HA LEU 83 -8.737 -20.370 7.554 687 HB2 LEU 83 HB2 LEU 83 -7.826 -21.629 5.022 688 HB3 LEU 83 HB1 LEU 83 -8.756 -20.146 4.821 689 HG LEU 83 HG LEU 83 -6.511 -20.242 6.833 690 HD11 LEU 83 HD11 LEU 83 -6.256 -19.842 3.841 691 HD12 LEU 83 HD12 LEU 83 -5.423 -21.032 4.838 692 HD13 LEU 83 HD13 LEU 83 -5.028 -19.322 4.996 693 HD21 LEU 83 HD21 LEU 83 -8.247 -18.326 6.531 694 HD22 LEU 83 HD22 LEU 83 -7.354 -17.945 5.062 695 HD23 LEU 83 HD23 LEU 83 -6.542 -17.890 6.628 696 H GLU 84 HN GLU 84 -10.714 -22.840 7.256 697 HA GLU 84 HA GLU 84 -12.862 -21.481 5.789 698 HB2 GLU 84 HB2 GLU 84 -14.075 -23.625 6.130 699 HB3 GLU 84 HB1 GLU 84 -12.542 -23.831 5.282 700 HG2 GLU 84 HG2 GLU 84 -11.455 -24.470 7.407 701 HG3 GLU 84 HG1 GLU 84 -12.994 -24.282 8.247 702 H HIS 85 HN HIS 85 -14.862 -21.031 6.744 703 HA HIS 85 HA HIS 85 -14.688 -20.215 9.509 704 HB2 HIS 85 HB2 HIS 85 -16.937 -20.064 7.489 705 HB3 HIS 85 HB1 HIS 85 -17.004 -19.372 9.111 706 HD2 HIS 85 HD2 HIS 85 -15.160 -17.173 9.533 707 HE1 HIS 85 HE1 HIS 85 -14.347 -16.622 5.428 708 HE2 HIS 85 HE2 HIS 85 -14.085 -15.608 7.741 709 H HIS 86 HN HIS 86 -16.740 -20.658 10.887 710 HA HIS 86 HA HIS 86 -16.758 -23.352 11.613 711 HB2 HIS 86 HB2 HIS 86 -17.497 -21.404 13.030 712 HB3 HIS 86 HB1 HIS 86 -19.004 -21.392 12.117 713 HD2 HIS 86 HD2 HIS 86 -17.392 -23.328 15.048 714 HE1 HIS 86 HE1 HIS 86 -20.922 -25.399 14.010 715 HE2 HIS 86 HE2 HIS 86 -19.068 -25.210 15.735 716 H HIS 87 HN HIS 87 -18.213 -21.892 8.936 717 HA HIS 87 HA HIS 87 -20.617 -23.323 8.659 718 HB2 HIS 87 HB2 HIS 87 -18.709 -22.154 6.628 719 HB3 HIS 87 HB1 HIS 87 -20.217 -22.940 6.162 720 HD2 HIS 87 HD2 HIS 87 -22.570 -21.493 6.822 721 HE1 HIS 87 HE1 HIS 87 -20.583 -18.063 8.273 722 HE2 HIS 87 HE2 HIS 87 -22.841 -19.020 7.611 723 H HIS 88 HN HIS 88 -17.311 -24.131 7.626 724 HA HIS 88 HA HIS 88 -16.391 -26.095 6.867 725 HB2 HIS 88 HB2 HIS 88 -16.892 -26.766 9.166 726 HB3 HIS 88 HB1 HIS 88 -18.521 -27.245 8.687 727 HD2 HIS 88 HD2 HIS 88 -18.671 -29.874 7.854 728 HE1 HIS 88 HE1 HIS 88 -14.563 -30.504 7.115 729 HE2 HIS 88 HE2 HIS 88 -16.847 -31.612 7.168 730 H HIS 89 HN HIS 89 -16.935 -28.289 5.829 731 HA HIS 89 HA HIS 89 -18.535 -27.821 3.530 732 HB2 HIS 89 HB2 HIS 89 -17.264 -30.328 4.643 733 HB3 HIS 89 HB1 HIS 89 -18.045 -30.242 3.064 734 HD2 HIS 89 HD2 HIS 89 -16.614 -28.728 1.111 735 HE1 HIS 89 HE1 HIS 89 -13.170 -28.131 3.479 736 HE2 HIS 89 HE2 HIS 89 -14.138 -27.900 1.143 737 H HIS 90 HN HIS 90 -20.569 -28.539 2.973 738 HA HIS 90 HA HIS 90 -22.425 -29.096 5.061 739 HB2 HIS 90 HB2 HIS 90 -24.077 -29.341 3.293 740 HB3 HIS 90 HB1 HIS 90 -23.047 -27.956 2.933 741 HD2 HIS 90 HD2 HIS 90 -24.098 -31.284 1.306 742 HE1 HIS 90 HE1 HIS 90 -20.815 -29.842 -0.923 743 HE2 HIS 90 HE2 HIS 90 -22.673 -31.571 -0.863 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -4.613 -8.477 18.390 2 H2 MET 1 HT2 MET 1 -5.931 -9.543 18.283 3 H3 MET 1 HT3 MET 1 -6.187 -7.865 18.231 4 HA MET 1 HA MET 1 -6.380 -8.764 16.022 5 HB2 MET 1 HB2 MET 1 -3.851 -7.181 16.550 6 HB3 MET 1 HB1 MET 1 -4.547 -7.416 14.948 7 HG2 MET 1 HG2 MET 1 -6.632 -6.342 15.670 8 HG3 MET 1 HG1 MET 1 -5.984 -6.153 17.299 9 HE1 MET 1 HE1 MET 1 -5.627 -5.635 13.689 10 HE2 MET 1 HE2 MET 1 -3.877 -5.462 13.778 11 HE3 MET 1 HE3 MET 1 -4.877 -4.054 13.438 12 H GLY 2 HN GLY 2 -6.027 -10.624 14.996 13 HA2 GLY 2 HA2 GLY 2 -4.873 -12.362 13.989 14 HA3 GLY 2 HA1 GLY 2 -3.367 -11.616 14.516 15 H VAL 3 HN VAL 3 -2.787 -13.904 14.964 16 HA VAL 3 HA VAL 3 -3.833 -14.832 17.585 17 HB VAL 3 HB VAL 3 -3.038 -17.089 16.868 18 HG11 VAL 3 HG11 VAL 3 -4.914 -17.489 15.340 19 HG12 VAL 3 HG12 VAL 3 -5.020 -15.762 14.995 20 HG13 VAL 3 HG13 VAL 3 -5.397 -16.363 16.609 21 HG21 VAL 3 HG21 VAL 3 -2.570 -15.607 14.261 22 HG22 VAL 3 HG22 VAL 3 -2.660 -17.362 14.381 23 HG23 VAL 3 HG23 VAL 3 -1.375 -16.488 15.211 24 H TRP 4 HN TRP 4 -2.461 -14.939 19.225 25 HA TRP 4 HA TRP 4 0.283 -14.078 18.841 26 HB2 TRP 4 HB2 TRP 4 -1.302 -14.833 21.303 27 HB3 TRP 4 HB1 TRP 4 0.367 -14.259 21.335 28 HD1 TRP 4 HD1 TRP 4 -3.154 -13.073 21.177 29 HE1 TRP 4 HE1 TRP 4 -3.219 -10.515 20.870 30 HE3 TRP 4 HE3 TRP 4 1.753 -12.196 20.078 31 HZ2 TRP 4 HZ2 TRP 4 -1.424 -8.378 20.240 32 HZ3 TRP 4 HZ3 TRP 4 2.549 -9.893 19.628 33 HH2 TRP 4 HH2 TRP 4 0.969 -7.985 19.708 34 H THR 5 HN THR 5 1.601 -15.572 18.027 35 HA THR 5 HA THR 5 1.571 -18.300 19.155 36 HB THR 5 HB THR 5 3.263 -17.888 16.773 37 HG1 THR 5 HG1 THR 5 0.504 -17.280 16.701 38 HG21 THR 5 HG21 THR 5 0.835 -19.660 17.102 39 HG22 THR 5 HG22 THR 5 2.405 -20.075 17.788 40 HG23 THR 5 HG23 THR 5 2.225 -19.902 16.043 41 HA PRO 6 HA PRO 6 6.206 -16.649 19.031 42 HB2 PRO 6 HB2 PRO 6 5.503 -13.800 19.644 43 HB3 PRO 6 HB1 PRO 6 6.810 -14.443 18.635 44 HG2 PRO 6 HG2 PRO 6 4.688 -13.376 17.502 45 HG3 PRO 6 HG1 PRO 6 5.384 -14.879 16.848 46 HD2 PRO 6 HD2 PRO 6 2.949 -14.538 18.580 47 HD3 PRO 6 HD1 PRO 6 3.178 -15.585 17.157 48 H GLU 7 HN GLU 7 7.492 -16.411 20.924 49 HA GLU 7 HA GLU 7 6.495 -17.276 23.307 50 HB2 GLU 7 HB2 GLU 7 8.796 -15.366 22.847 51 HB3 GLU 7 HB1 GLU 7 8.467 -16.156 24.389 52 HG2 GLU 7 HG2 GLU 7 8.697 -18.356 23.348 53 HG3 GLU 7 HG1 GLU 7 8.940 -17.608 21.770 54 H VAL 8 HN VAL 8 6.038 -14.178 21.902 55 HA VAL 8 HA VAL 8 5.712 -12.432 23.991 56 HB VAL 8 HB VAL 8 3.943 -12.799 21.563 57 HG11 VAL 8 HG11 VAL 8 4.067 -10.613 23.651 58 HG12 VAL 8 HG12 VAL 8 2.653 -11.522 23.114 59 HG13 VAL 8 HG13 VAL 8 3.403 -10.342 22.039 60 HG21 VAL 8 HG21 VAL 8 6.376 -12.290 21.199 61 HG22 VAL 8 HG22 VAL 8 6.163 -10.818 22.145 62 HG23 VAL 8 HG23 VAL 8 5.301 -11.018 20.620 63 H LEU 9 HN LEU 9 3.884 -15.288 23.294 64 HA LEU 9 HA LEU 9 1.670 -14.554 25.040 65 HB2 LEU 9 HB2 LEU 9 1.248 -15.931 23.038 66 HB3 LEU 9 HB1 LEU 9 2.318 -17.179 23.671 67 HG LEU 9 HG LEU 9 0.842 -17.445 25.644 68 HD11 LEU 9 HD11 LEU 9 -0.236 -15.423 26.047 69 HD12 LEU 9 HD12 LEU 9 -1.528 -16.318 25.253 70 HD13 LEU 9 HD13 LEU 9 -0.584 -15.141 24.341 71 HD21 LEU 9 HD21 LEU 9 0.438 -18.901 23.758 72 HD22 LEU 9 HD22 LEU 9 -0.495 -17.653 22.932 73 HD23 LEU 9 HD23 LEU 9 -1.127 -18.401 24.400 74 H LYS 10 HN LYS 10 4.077 -17.185 24.970 75 HA LYS 10 HA LYS 10 3.590 -18.066 27.609 76 HB2 LYS 10 HB2 LYS 10 4.734 -19.405 25.855 77 HB3 LYS 10 HB1 LYS 10 6.127 -18.335 25.992 78 HG2 LYS 10 HG2 LYS 10 6.399 -18.935 28.350 79 HG3 LYS 10 HG1 LYS 10 4.952 -19.934 28.282 80 HD2 LYS 10 HD2 LYS 10 6.659 -21.516 28.008 81 HD3 LYS 10 HD1 LYS 10 6.186 -21.185 26.346 82 HE2 LYS 10 HE2 LYS 10 8.653 -21.177 26.629 83 HE3 LYS 10 HE1 LYS 10 8.057 -19.605 26.109 84 HZ1 LYS 10 HZ1 LYS 10 9.604 -20.104 28.302 85 HZ2 LYS 10 HZ2 LYS 10 8.051 -19.871 28.948 86 HZ3 LYS 10 HZ3 LYS 10 8.760 -18.669 27.981 87 H ALA 11 HN ALA 11 5.945 -15.807 26.251 88 HA ALA 11 HA ALA 11 7.519 -15.338 28.495 89 HB1 ALA 11 HB1 ALA 11 8.136 -13.253 27.457 90 HB2 ALA 11 HB2 ALA 11 6.654 -13.230 26.500 91 HB3 ALA 11 HB3 ALA 11 7.900 -14.432 26.166 92 H ARG 12 HN ARG 12 4.445 -13.864 27.520 93 HA ARG 12 HA ARG 12 4.286 -11.998 29.636 94 HB2 ARG 12 HB2 ARG 12 2.185 -13.313 27.907 95 HB3 ARG 12 HB1 ARG 12 1.797 -12.072 29.093 96 HG2 ARG 12 HG2 ARG 12 3.941 -11.571 27.032 97 HG3 ARG 12 HG1 ARG 12 2.243 -11.363 26.607 98 HD2 ARG 12 HD2 ARG 12 1.958 -9.752 28.426 99 HD3 ARG 12 HD1 ARG 12 3.618 -9.997 28.938 100 HE ARG 12 HE ARG 12 3.233 -9.091 26.188 101 HH11 ARG 12 HH21 ARG 12 3.943 -8.359 29.500 102 HH12 ARG 12 HH22 ARG 12 4.695 -6.842 29.146 103 HH21 ARG 12 HH11 ARG 12 4.210 -7.097 25.723 104 HH22 ARG 12 HH12 ARG 12 4.842 -6.125 27.009 105 H ALA 13 HN ALA 13 3.037 -15.292 29.265 106 HA ALA 13 HA ALA 13 1.751 -15.385 31.802 107 HB1 ALA 13 HB1 ALA 13 2.712 -17.536 29.913 108 HB2 ALA 13 HB2 ALA 13 1.062 -16.961 30.144 109 HB3 ALA 13 HB3 ALA 13 1.859 -17.889 31.415 110 H SER 14 HN SER 14 4.959 -16.219 30.634 111 HA SER 14 HA SER 14 5.816 -17.154 33.274 112 HB2 SER 14 HB2 SER 14 7.178 -17.058 30.578 113 HB3 SER 14 HB1 SER 14 7.989 -17.567 32.058 114 HG SER 14 HG SER 14 5.582 -18.767 31.789 115 H VAL 15 HN VAL 15 5.318 -14.244 31.978 116 HA VAL 15 HA VAL 15 6.076 -12.124 32.415 117 HB VAL 15 HB VAL 15 7.726 -13.405 34.603 118 HG11 VAL 15 HG11 VAL 15 7.432 -11.211 35.677 119 HG12 VAL 15 HG12 VAL 15 6.497 -10.652 34.290 120 HG13 VAL 15 HG13 VAL 15 8.207 -11.035 34.103 121 HG21 VAL 15 HG21 VAL 15 4.827 -12.509 34.611 122 HG22 VAL 15 HG22 VAL 15 5.739 -12.996 36.039 123 HG23 VAL 15 HG23 VAL 15 5.398 -14.170 34.768 124 H ILE 16 HN ILE 16 8.946 -14.040 33.296 125 HA ILE 16 HA ILE 16 10.536 -12.451 31.381 126 HB ILE 16 HB ILE 16 12.477 -13.434 32.675 127 HG12 ILE 16 HG12 ILE 16 10.260 -14.228 34.592 128 HG13 ILE 16 HG11 ILE 16 11.169 -15.366 33.598 129 HG21 ILE 16 HG21 ILE 16 11.535 -11.157 33.067 130 HG22 ILE 16 HG22 ILE 16 12.190 -11.879 34.537 131 HG23 ILE 16 HG23 ILE 16 10.447 -11.844 34.273 132 HD11 ILE 16 HD11 ILE 16 12.148 -15.257 35.840 133 HD12 ILE 16 HD12 ILE 16 12.334 -13.510 35.690 134 HD13 ILE 16 HD13 ILE 16 13.273 -14.588 34.658 135 H GLY 17 HN GLY 17 11.539 -13.356 29.685 136 HA2 GLY 17 HA2 GLY 17 10.853 -16.098 28.990 137 HA3 GLY 17 HA1 GLY 17 11.665 -14.923 27.959 138 H LYS 18 HN LYS 18 12.194 -17.808 29.045 139 HA LYS 18 HA LYS 18 15.084 -17.467 29.186 140 HB2 LYS 18 HB2 LYS 18 13.488 -18.693 31.447 141 HB3 LYS 18 HB1 LYS 18 15.232 -18.879 31.255 142 HG2 LYS 18 HG2 LYS 18 15.336 -16.310 31.182 143 HG3 LYS 18 HG1 LYS 18 13.676 -16.341 31.774 144 HD2 LYS 18 HD2 LYS 18 16.018 -17.705 33.132 145 HD3 LYS 18 HD1 LYS 18 15.341 -16.150 33.619 146 HE2 LYS 18 HE2 LYS 18 13.085 -17.382 33.794 147 HE3 LYS 18 HE1 LYS 18 14.030 -18.870 33.716 148 HZ1 LYS 18 HZ1 LYS 18 14.799 -18.582 35.777 149 HZ2 LYS 18 HZ2 LYS 18 13.502 -17.501 35.970 150 HZ3 LYS 18 HZ3 LYS 18 15.048 -16.916 35.573 151 HA PRO 19 HA PRO 19 13.285 -21.354 27.179 152 HB2 PRO 19 HB2 PRO 19 13.911 -20.747 24.582 153 HB3 PRO 19 HB1 PRO 19 12.368 -20.305 25.339 154 HG2 PRO 19 HG2 PRO 19 14.807 -18.637 24.906 155 HG3 PRO 19 HG1 PRO 19 13.100 -18.213 24.682 156 HD2 PRO 19 HD2 PRO 19 14.500 -17.455 26.895 157 HD3 PRO 19 HD1 PRO 19 12.759 -17.816 26.948 158 H ILE 20 HN ILE 20 14.539 -23.069 26.236 159 HA ILE 20 HA ILE 20 17.306 -23.009 26.997 160 HB ILE 20 HB ILE 20 15.922 -25.038 27.246 161 HG12 ILE 20 HG12 ILE 20 18.144 -25.428 25.213 162 HG13 ILE 20 HG11 ILE 20 18.420 -25.139 26.937 163 HG21 ILE 20 HG21 ILE 20 14.674 -24.546 25.038 164 HG22 ILE 20 HG22 ILE 20 15.063 -26.229 25.385 165 HG23 ILE 20 HG23 ILE 20 16.044 -25.318 24.238 166 HD11 ILE 20 HD11 ILE 20 18.476 -27.516 26.651 167 HD12 ILE 20 HD12 ILE 20 17.016 -27.500 25.660 168 HD13 ILE 20 HD13 ILE 20 16.915 -27.149 27.386 169 H GLY 21 HN GLY 21 19.010 -22.488 25.784 170 HA2 GLY 21 HA2 GLY 21 18.592 -21.729 23.013 171 HA3 GLY 21 HA1 GLY 21 20.082 -21.553 23.934 172 H GLU 22 HN GLU 22 18.492 -23.302 21.550 173 HA GLU 22 HA GLU 22 20.732 -24.914 20.937 174 HB2 GLU 22 HB2 GLU 22 19.940 -26.150 22.967 175 HB3 GLU 22 HB1 GLU 22 18.409 -26.433 22.149 176 HG2 GLU 22 HG2 GLU 22 19.434 -27.776 20.477 177 HG3 GLU 22 HG1 GLU 22 21.053 -27.242 20.928 178 H SER 23 HN SER 23 20.205 -26.502 19.171 179 HA SER 23 HA SER 23 18.849 -25.312 17.071 180 HB2 SER 23 HB2 SER 23 19.460 -28.224 17.596 181 HB3 SER 23 HB1 SER 23 18.806 -27.636 16.071 182 HG SER 23 HG SER 23 21.269 -26.989 17.316 183 H TYR 24 HN TYR 24 17.641 -27.418 19.608 184 HA TYR 24 HA TYR 24 15.130 -28.037 18.466 185 HB2 TYR 24 HB2 TYR 24 15.989 -27.821 21.357 186 HB3 TYR 24 HB1 TYR 24 14.427 -28.454 20.831 187 HD1 TYR 24 HD2 TYR 24 14.557 -30.299 18.914 188 HD2 TYR 24 HD1 TYR 24 17.755 -29.341 21.616 189 HE1 TYR 24 HE2 TYR 24 15.585 -32.515 18.483 190 HE2 TYR 24 HE1 TYR 24 18.786 -31.553 21.181 191 HH TYR 24 HH TYR 24 17.184 -33.949 19.097 192 H LYS 25 HN LYS 25 16.321 -25.258 20.240 193 HA LYS 25 HA LYS 25 13.938 -24.025 20.981 194 HB2 LYS 25 HB2 LYS 25 16.224 -23.236 21.599 195 HB3 LYS 25 HB1 LYS 25 16.437 -22.665 19.945 196 HG2 LYS 25 HG2 LYS 25 14.647 -21.083 20.169 197 HG3 LYS 25 HG1 LYS 25 14.157 -21.772 21.717 198 HD2 LYS 25 HD2 LYS 25 15.403 -19.735 22.139 199 HD3 LYS 25 HD1 LYS 25 16.392 -21.100 22.639 200 HE2 LYS 25 HE2 LYS 25 17.778 -20.942 20.711 201 HE3 LYS 25 HE1 LYS 25 16.632 -19.887 19.882 202 HZ1 LYS 25 HZ1 LYS 25 17.135 -18.120 21.322 203 HZ2 LYS 25 HZ2 LYS 25 18.638 -18.787 20.893 204 HZ3 LYS 25 HZ3 LYS 25 17.959 -19.122 22.414 205 H ARG 26 HN ARG 26 14.888 -24.894 17.905 206 HA ARG 26 HA ARG 26 14.096 -22.758 16.294 207 HB2 ARG 26 HB2 ARG 26 15.281 -24.769 15.478 208 HB3 ARG 26 HB1 ARG 26 13.810 -25.711 15.718 209 HG2 ARG 26 HG2 ARG 26 12.609 -24.217 14.138 210 HG3 ARG 26 HG1 ARG 26 14.099 -23.312 13.881 211 HD2 ARG 26 HD2 ARG 26 15.175 -25.456 13.118 212 HD3 ARG 26 HD1 ARG 26 13.588 -26.219 13.207 213 HE ARG 26 HE ARG 26 13.377 -23.889 11.636 214 HH11 ARG 26 HH21 ARG 26 14.829 -27.028 11.633 215 HH12 ARG 26 HH22 ARG 26 14.798 -27.193 9.909 216 HH21 ARG 26 HH11 ARG 26 13.333 -24.095 9.376 217 HH22 ARG 26 HH12 ARG 26 13.951 -25.531 8.632 218 H ILE 27 HN ILE 27 12.243 -25.377 17.776 219 HA ILE 27 HA ILE 27 9.813 -25.084 16.542 220 HB ILE 27 HB ILE 27 10.176 -26.815 18.183 221 HG12 ILE 27 HG12 ILE 27 8.065 -24.946 19.303 222 HG13 ILE 27 HG11 ILE 27 7.841 -25.879 17.822 223 HG21 ILE 27 HG21 ILE 27 9.991 -24.898 20.489 224 HG22 ILE 27 HG22 ILE 27 11.544 -25.076 19.687 225 HG23 ILE 27 HG23 ILE 27 10.762 -26.477 20.407 226 HD11 ILE 27 HD11 ILE 27 8.724 -27.305 20.321 227 HD12 ILE 27 HD12 ILE 27 7.789 -27.914 18.960 228 HD13 ILE 27 HD13 ILE 27 7.031 -26.855 20.142 229 H LEU 28 HN LEU 28 10.669 -23.486 19.594 230 HA LEU 28 HA LEU 28 8.495 -21.696 19.600 231 HB2 LEU 28 HB2 LEU 28 11.130 -21.818 21.037 232 HB3 LEU 28 HB1 LEU 28 10.088 -20.411 21.236 233 HG LEU 28 HG LEU 28 8.893 -23.159 21.564 234 HD11 LEU 28 HD11 LEU 28 9.487 -23.146 23.952 235 HD12 LEU 28 HD12 LEU 28 10.437 -21.678 23.716 236 HD13 LEU 28 HD13 LEU 28 10.938 -23.186 22.951 237 HD21 LEU 28 HD21 LEU 28 7.639 -20.870 21.592 238 HD22 LEU 28 HD22 LEU 28 8.351 -20.671 23.188 239 HD23 LEU 28 HD23 LEU 28 7.279 -22.034 22.864 240 H ALA 29 HN ALA 29 11.828 -21.377 18.474 241 HA ALA 29 HA ALA 29 11.734 -18.628 17.853 242 HB1 ALA 29 HB1 ALA 29 13.754 -20.295 17.960 243 HB2 ALA 29 HB2 ALA 29 13.805 -18.938 16.834 244 HB3 ALA 29 HB3 ALA 29 13.396 -20.549 16.253 245 H LYS 30 HN LYS 30 10.714 -21.484 16.099 246 HA LYS 30 HA LYS 30 10.467 -20.349 13.539 247 HB2 LYS 30 HB2 LYS 30 10.303 -22.813 14.126 248 HB3 LYS 30 HB1 LYS 30 8.669 -22.487 14.692 249 HG2 LYS 30 HG2 LYS 30 8.239 -23.113 12.490 250 HG3 LYS 30 HG1 LYS 30 8.383 -21.369 12.301 251 HD2 LYS 30 HD2 LYS 30 10.753 -21.633 11.648 252 HD3 LYS 30 HD1 LYS 30 10.618 -23.376 11.861 253 HE2 LYS 30 HE2 LYS 30 8.896 -23.463 10.110 254 HE3 LYS 30 HE1 LYS 30 9.008 -21.717 9.901 255 HZ1 LYS 30 HZ1 LYS 30 10.908 -23.813 9.150 256 HZ2 LYS 30 HZ2 LYS 30 11.527 -22.296 9.603 257 HZ3 LYS 30 HZ3 LYS 30 10.443 -22.420 8.300 258 H LEU 31 HN LEU 31 8.343 -20.340 16.340 259 HA LEU 31 HA LEU 31 5.956 -19.487 15.243 260 HB2 LEU 31 HB2 LEU 31 7.146 -18.426 17.813 261 HB3 LEU 31 HB1 LEU 31 5.434 -18.541 17.401 262 HG LEU 31 HG LEU 31 7.352 -20.857 17.753 263 HD11 LEU 31 HD11 LEU 31 6.447 -19.591 19.811 264 HD12 LEU 31 HD12 LEU 31 6.212 -21.339 19.774 265 HD13 LEU 31 HD13 LEU 31 4.878 -20.267 19.373 266 HD21 LEU 31 HD21 LEU 31 5.857 -21.640 16.122 267 HD22 LEU 31 HD22 LEU 31 4.509 -20.699 16.764 268 HD23 LEU 31 HD23 LEU 31 5.065 -22.139 17.614 269 H GLN 32 HN GLN 32 8.963 -17.806 15.496 270 HA GLN 32 HA GLN 32 8.017 -15.145 15.314 271 HB2 GLN 32 HB2 GLN 32 10.618 -16.366 14.360 272 HB3 GLN 32 HB1 GLN 32 10.301 -14.635 14.502 273 HG2 GLN 32 HG2 GLN 32 10.052 -16.586 16.799 274 HG3 GLN 32 HG1 GLN 32 11.490 -15.615 16.494 275 HE21 GLN 32 HE21 GLN 32 9.060 -15.620 18.582 276 HE22 GLN 32 HE22 GLN 32 8.716 -13.963 18.709 277 H ARG 33 HN ARG 33 8.842 -17.584 12.885 278 HA ARG 33 HA ARG 33 8.563 -15.919 10.609 279 HB2 ARG 33 HB2 ARG 33 8.656 -18.859 11.132 280 HB3 ARG 33 HB1 ARG 33 7.977 -18.359 9.587 281 HG2 ARG 33 HG2 ARG 33 10.593 -17.174 10.502 282 HG3 ARG 33 HG1 ARG 33 10.569 -18.789 9.799 283 HD2 ARG 33 HD2 ARG 33 9.479 -17.933 7.782 284 HD3 ARG 33 HD1 ARG 33 9.401 -16.319 8.481 285 HE ARG 33 HE ARG 33 11.663 -16.041 7.994 286 HH11 ARG 33 HH21 ARG 33 10.688 -19.346 7.712 287 HH12 ARG 33 HH22 ARG 33 12.166 -19.865 6.971 288 HH21 ARG 33 HH11 ARG 33 13.605 -16.709 7.027 289 HH22 ARG 33 HH12 ARG 33 13.819 -18.368 6.582 290 H ILE 34 HN ILE 34 6.278 -17.972 12.359 291 HA ILE 34 HA ILE 34 4.106 -17.913 10.668 292 HB ILE 34 HB ILE 34 4.340 -17.923 13.663 293 HG12 ILE 34 HG12 ILE 34 3.491 -20.185 13.382 294 HG13 ILE 34 HG11 ILE 34 3.206 -19.912 11.673 295 HG21 ILE 34 HG21 ILE 34 1.803 -18.467 13.579 296 HG22 ILE 34 HG22 ILE 34 1.825 -17.663 12.010 297 HG23 ILE 34 HG23 ILE 34 2.280 -16.773 13.463 298 HD11 ILE 34 HD11 ILE 34 5.544 -19.757 11.211 299 HD12 ILE 34 HD12 ILE 34 5.354 -21.161 12.257 300 HD13 ILE 34 HD13 ILE 34 5.942 -19.645 12.921 301 H HIS 35 HN HIS 35 5.286 -15.387 12.831 302 HA HIS 35 HA HIS 35 3.138 -13.630 12.767 303 HB2 HIS 35 HB2 HIS 35 5.157 -13.305 14.149 304 HB3 HIS 35 HB1 HIS 35 6.088 -12.942 12.696 305 HD2 HIS 35 HD2 HIS 35 3.602 -11.177 15.106 306 HE1 HIS 35 HE1 HIS 35 4.457 -8.475 11.977 307 HE2 HIS 35 HE2 HIS 35 3.347 -8.723 14.247 308 H ASN 36 HN ASN 36 6.026 -13.378 10.675 309 HA ASN 36 HA ASN 36 4.764 -11.603 8.841 310 HB2 ASN 36 HB2 ASN 36 7.289 -13.247 8.686 311 HB3 ASN 36 HB1 ASN 36 6.768 -12.167 7.393 312 HD21 ASN 36 HD21 ASN 36 9.197 -11.739 8.916 313 HD22 ASN 36 HD22 ASN 36 9.001 -10.298 9.793 314 H SER 37 HN SER 37 5.350 -15.088 8.857 315 HA SER 37 HA SER 37 4.176 -15.477 6.246 316 HB2 SER 37 HB2 SER 37 5.272 -17.321 8.357 317 HB3 SER 37 HB1 SER 37 4.421 -17.939 6.959 318 HG SER 37 HG SER 37 6.718 -16.266 6.970 319 H ASN 38 HN ASN 38 2.687 -14.404 8.746 320 HA ASN 38 HA ASN 38 0.815 -16.140 9.733 321 HB2 ASN 38 HB2 ASN 38 -0.737 -14.189 9.825 322 HB3 ASN 38 HB1 ASN 38 0.877 -13.824 10.434 323 HD21 ASN 38 HD21 ASN 38 -0.310 -11.557 9.736 324 HD22 ASN 38 HD22 ASN 38 0.136 -11.012 8.192 325 H ILE 39 HN ILE 39 -0.493 -17.532 8.785 326 HA ILE 39 HA ILE 39 -1.635 -18.624 7.088 327 HB ILE 39 HB ILE 39 -3.021 -15.972 6.773 328 HG12 ILE 39 HG12 ILE 39 -3.267 -17.928 9.046 329 HG13 ILE 39 HG11 ILE 39 -2.610 -16.302 9.168 330 HG21 ILE 39 HG21 ILE 39 -4.068 -18.798 6.924 331 HG22 ILE 39 HG22 ILE 39 -3.691 -17.977 5.410 332 HG23 ILE 39 HG23 ILE 39 -4.973 -17.359 6.452 333 HD11 ILE 39 HD11 ILE 39 -5.451 -17.105 8.524 334 HD12 ILE 39 HD12 ILE 39 -4.838 -15.471 8.264 335 HD13 ILE 39 HD13 ILE 39 -4.882 -16.148 9.892 336 H LEU 40 HN LEU 40 0.201 -18.751 5.603 337 HA LEU 40 HA LEU 40 -0.140 -16.970 3.252 338 HB2 LEU 40 HB2 LEU 40 2.131 -17.120 4.820 339 HB3 LEU 40 HB1 LEU 40 2.501 -18.285 3.555 340 HG LEU 40 HG LEU 40 1.593 -15.435 3.053 341 HD11 LEU 40 HD11 LEU 40 4.001 -15.233 2.215 342 HD12 LEU 40 HD12 LEU 40 4.323 -16.736 3.078 343 HD13 LEU 40 HD13 LEU 40 3.793 -15.306 3.962 344 HD21 LEU 40 HD21 LEU 40 0.970 -16.842 1.214 345 HD22 LEU 40 HD22 LEU 40 2.507 -17.704 1.272 346 HD23 LEU 40 HD23 LEU 40 2.457 -16.028 0.730 347 H ASP 41 HN ASP 41 -0.697 -17.959 1.435 348 HA ASP 41 HA ASP 41 -1.485 -20.550 1.188 349 HB2 ASP 41 HB2 ASP 41 -1.047 -20.297 -1.272 350 HB3 ASP 41 HB1 ASP 41 -1.975 -18.986 -0.550 351 H GLU 42 HN GLU 42 1.806 -19.347 0.969 352 HA GLU 42 HA GLU 42 2.860 -21.910 0.084 353 HB2 GLU 42 HB2 GLU 42 3.844 -19.786 -0.686 354 HB3 GLU 42 HB1 GLU 42 4.287 -19.401 0.978 355 HG2 GLU 42 HG2 GLU 42 5.709 -21.388 1.097 356 HG3 GLU 42 HG1 GLU 42 5.209 -21.869 -0.523 357 H ARG 43 HN ARG 43 3.387 -19.832 2.939 358 HA ARG 43 HA ARG 43 4.763 -21.822 4.442 359 HB2 ARG 43 HB2 ARG 43 3.338 -19.330 5.423 360 HB3 ARG 43 HB1 ARG 43 4.529 -20.258 6.323 361 HG2 ARG 43 HG2 ARG 43 5.381 -19.357 3.597 362 HG3 ARG 43 HG1 ARG 43 5.182 -18.089 4.792 363 HD2 ARG 43 HD2 ARG 43 7.482 -18.904 4.837 364 HD3 ARG 43 HD1 ARG 43 6.678 -19.345 6.340 365 HE ARG 43 HE ARG 43 6.500 -21.399 4.325 366 HH11 ARG 43 HH21 ARG 43 8.431 -19.972 6.809 367 HH12 ARG 43 HH22 ARG 43 9.333 -21.416 7.131 368 HH21 ARG 43 HH11 ARG 43 7.666 -23.300 4.744 369 HH22 ARG 43 HH12 ARG 43 8.898 -23.303 5.962 370 H GLN 44 HN GLN 44 1.455 -21.284 3.804 371 HA GLN 44 HA GLN 44 0.104 -22.102 6.043 372 HB2 GLN 44 HB2 GLN 44 -0.369 -22.280 3.121 373 HB3 GLN 44 HB1 GLN 44 -1.292 -23.439 4.073 374 HG2 GLN 44 HG2 GLN 44 -2.257 -21.669 5.413 375 HG3 GLN 44 HG1 GLN 44 -1.220 -20.464 4.658 376 HE21 GLN 44 HE21 GLN 44 -2.399 -22.931 2.519 377 HE22 GLN 44 HE22 GLN 44 -3.609 -22.000 1.777 378 H GLY 45 HN GLY 45 2.029 -24.052 3.853 379 HA2 GLY 45 HA2 GLY 45 1.206 -26.594 4.781 380 HA3 GLY 45 HA1 GLY 45 2.723 -26.236 3.959 381 H LEU 46 HN LEU 46 3.572 -24.249 5.879 382 HA LEU 46 HA LEU 46 4.985 -25.938 7.626 383 HB2 LEU 46 HB2 LEU 46 5.419 -23.434 6.821 384 HB3 LEU 46 HB1 LEU 46 4.583 -23.042 8.320 385 HG LEU 46 HG LEU 46 6.969 -23.133 8.774 386 HD11 LEU 46 HD11 LEU 46 5.929 -25.745 9.864 387 HD12 LEU 46 HD12 LEU 46 5.236 -24.206 10.386 388 HD13 LEU 46 HD13 LEU 46 6.936 -24.544 10.662 389 HD21 LEU 46 HD21 LEU 46 7.304 -26.035 8.200 390 HD22 LEU 46 HD22 LEU 46 8.412 -24.696 7.923 391 HD23 LEU 46 HD23 LEU 46 7.124 -25.020 6.770 392 H MET 47 HN MET 47 2.152 -23.870 8.130 393 HA MET 47 HA MET 47 1.855 -24.168 10.875 394 HB2 MET 47 HB2 MET 47 -0.144 -23.812 8.645 395 HB3 MET 47 HB1 MET 47 -0.645 -23.879 10.334 396 HG2 MET 47 HG2 MET 47 0.839 -21.989 10.864 397 HG3 MET 47 HG1 MET 47 1.384 -21.933 9.191 398 HE1 MET 47 HE1 MET 47 -0.862 -18.838 10.139 399 HE2 MET 47 HE2 MET 47 0.406 -19.140 8.953 400 HE3 MET 47 HE3 MET 47 0.622 -19.673 10.619 401 H HIS 48 HN HIS 48 0.858 -26.315 8.255 402 HA HIS 48 HA HIS 48 -0.639 -28.121 9.840 403 HB2 HIS 48 HB2 HIS 48 -0.800 -28.062 7.391 404 HB3 HIS 48 HB1 HIS 48 0.868 -28.620 7.264 405 HD2 HIS 48 HD2 HIS 48 1.046 -31.370 7.151 406 HE1 HIS 48 HE1 HIS 48 -2.680 -32.292 8.907 407 HE2 HIS 48 HE2 HIS 48 -0.604 -33.276 7.826 408 H GLU 49 HN GLU 49 2.780 -28.035 8.889 409 HA GLU 49 HA GLU 49 3.393 -30.504 10.264 410 HB2 GLU 49 HB2 GLU 49 4.623 -29.648 8.227 411 HB3 GLU 49 HB1 GLU 49 5.327 -28.406 9.262 412 HG2 GLU 49 HG2 GLU 49 6.895 -30.228 9.180 413 HG3 GLU 49 HG1 GLU 49 6.146 -30.264 10.772 414 H LEU 50 HN LEU 50 3.316 -27.117 11.018 415 HA LEU 50 HA LEU 50 5.111 -27.084 13.192 416 HB2 LEU 50 HB2 LEU 50 3.738 -25.161 11.912 417 HB3 LEU 50 HB1 LEU 50 2.660 -25.364 13.282 418 HG LEU 50 HG LEU 50 5.621 -24.736 13.399 419 HD11 LEU 50 HD11 LEU 50 4.992 -22.568 14.109 420 HD12 LEU 50 HD12 LEU 50 3.331 -23.059 14.429 421 HD13 LEU 50 HD13 LEU 50 3.904 -22.916 12.767 422 HD21 LEU 50 HD21 LEU 50 3.598 -25.431 15.524 423 HD22 LEU 50 HD22 LEU 50 4.997 -24.421 15.895 424 HD23 LEU 50 HD23 LEU 50 5.231 -26.061 15.304 425 H MET 51 HN MET 51 1.628 -27.754 13.009 426 HA MET 51 HA MET 51 1.105 -27.959 15.754 427 HB2 MET 51 HB2 MET 51 -0.638 -27.927 13.980 428 HB3 MET 51 HB1 MET 51 -0.159 -29.557 13.511 429 HG2 MET 51 HG2 MET 51 -0.656 -30.283 15.895 430 HG3 MET 51 HG1 MET 51 -1.342 -28.682 16.158 431 HE1 MET 51 HE1 MET 51 -4.391 -28.407 14.087 432 HE2 MET 51 HE2 MET 51 -2.890 -27.604 14.538 433 HE3 MET 51 HE3 MET 51 -3.930 -28.276 15.789 434 H GLU 52 HN GLU 52 2.203 -30.397 13.420 435 HA GLU 52 HA GLU 52 2.207 -32.566 15.251 436 HB2 GLU 52 HB2 GLU 52 2.239 -32.833 12.777 437 HB3 GLU 52 HB1 GLU 52 3.891 -32.215 12.761 438 HG2 GLU 52 HG2 GLU 52 4.616 -34.065 14.212 439 HG3 GLU 52 HG1 GLU 52 2.962 -34.674 14.273 440 H LEU 53 HN LEU 53 4.561 -30.099 14.391 441 HA LEU 53 HA LEU 53 6.830 -31.274 15.566 442 HB2 LEU 53 HB2 LEU 53 6.912 -29.306 14.065 443 HB3 LEU 53 HB1 LEU 53 6.152 -28.333 15.321 444 HG LEU 53 HG LEU 53 8.068 -28.826 16.834 445 HD11 LEU 53 HD11 LEU 53 8.928 -30.473 14.474 446 HD12 LEU 53 HD12 LEU 53 9.018 -30.848 16.195 447 HD13 LEU 53 HD13 LEU 53 10.161 -29.717 15.483 448 HD21 LEU 53 HD21 LEU 53 8.050 -26.794 15.417 449 HD22 LEU 53 HD22 LEU 53 8.885 -27.683 14.144 450 HD23 LEU 53 HD23 LEU 53 9.690 -27.385 15.685 451 H ILE 54 HN ILE 54 4.510 -28.914 16.913 452 HA ILE 54 HA ILE 54 5.706 -28.956 19.511 453 HB ILE 54 HB ILE 54 2.898 -28.063 18.840 454 HG12 ILE 54 HG12 ILE 54 5.571 -26.762 18.310 455 HG13 ILE 54 HG11 ILE 54 4.160 -26.855 17.275 456 HG21 ILE 54 HG21 ILE 54 3.739 -28.278 21.265 457 HG22 ILE 54 HG22 ILE 54 3.072 -26.722 20.799 458 HG23 ILE 54 HG23 ILE 54 4.818 -26.942 20.892 459 HD11 ILE 54 HD11 ILE 54 3.001 -25.388 19.080 460 HD12 ILE 54 HD12 ILE 54 4.166 -24.610 18.014 461 HD13 ILE 54 HD13 ILE 54 4.639 -25.057 19.649 462 H ASP 55 HN ASP 55 3.367 -30.889 17.864 463 HA ASP 55 HA ASP 55 1.927 -31.919 20.030 464 HB2 ASP 55 HB2 ASP 55 1.257 -32.218 17.680 465 HB3 ASP 55 HB1 ASP 55 2.635 -33.291 17.436 466 H LEU 56 HN LEU 56 5.008 -32.822 18.615 467 HA LEU 56 HA LEU 56 5.325 -35.236 20.052 468 HB2 LEU 56 HB2 LEU 56 7.330 -33.377 18.785 469 HB3 LEU 56 HB1 LEU 56 7.756 -34.939 19.479 470 HG LEU 56 HG LEU 56 5.661 -34.562 17.322 471 HD11 LEU 56 HD11 LEU 56 8.528 -35.505 17.025 472 HD12 LEU 56 HD12 LEU 56 7.935 -33.912 16.556 473 HD13 LEU 56 HD13 LEU 56 7.333 -35.353 15.736 474 HD21 LEU 56 HD21 LEU 56 6.374 -37.125 17.066 475 HD22 LEU 56 HD22 LEU 56 5.162 -36.644 18.243 476 HD23 LEU 56 HD23 LEU 56 6.822 -36.939 18.760 477 H TYR 57 HN TYR 57 6.366 -31.912 20.699 478 HA TYR 57 HA TYR 57 7.745 -32.608 23.128 479 HB2 TYR 57 HB2 TYR 57 6.949 -29.997 21.844 480 HB3 TYR 57 HB1 TYR 57 7.720 -30.058 23.429 481 HD1 TYR 57 HD1 TYR 57 8.155 -30.694 19.830 482 HD2 TYR 57 HD2 TYR 57 10.013 -30.804 23.695 483 HE1 TYR 57 HE1 TYR 57 10.371 -30.957 18.752 484 HE2 TYR 57 HE2 TYR 57 12.232 -31.065 22.623 485 HH TYR 57 HH TYR 57 13.339 -30.795 20.609 486 H GLU 58 HN GLU 58 4.764 -30.757 22.464 487 HA GLU 58 HA GLU 58 3.887 -30.196 24.972 488 HB2 GLU 58 HB2 GLU 58 1.754 -29.924 24.083 489 HB3 GLU 58 HB1 GLU 58 2.734 -29.878 22.626 490 HG2 GLU 58 HG2 GLU 58 1.053 -31.399 22.042 491 HG3 GLU 58 HG1 GLU 58 2.343 -32.460 22.567 492 H GLU 59 HN GLU 59 4.335 -33.335 23.658 493 HA GLU 59 HA GLU 59 2.510 -34.705 25.394 494 HB2 GLU 59 HB2 GLU 59 3.303 -35.637 23.249 495 HB3 GLU 59 HB1 GLU 59 4.930 -35.756 23.922 496 HG2 GLU 59 HG2 GLU 59 4.126 -37.270 25.670 497 HG3 GLU 59 HG1 GLU 59 2.475 -37.111 25.075 498 H SER 60 HN SER 60 6.071 -34.403 25.357 499 HA SER 60 HA SER 60 6.219 -35.403 28.114 500 HB2 SER 60 HB2 SER 60 8.610 -35.524 27.726 501 HB3 SER 60 HB1 SER 60 7.750 -36.301 26.400 502 HG SER 60 HG SER 60 9.507 -34.725 25.899 503 H GLN 61 HN GLN 61 6.136 -32.410 26.482 504 HA GLN 61 HA GLN 61 7.877 -30.875 28.095 505 HB2 GLN 61 HB2 GLN 61 6.231 -30.391 25.884 506 HB3 GLN 61 HB1 GLN 61 5.561 -29.356 27.124 507 HG2 GLN 61 HG2 GLN 61 7.920 -28.534 27.552 508 HG3 GLN 61 HG1 GLN 61 8.399 -29.404 26.093 509 HE21 GLN 61 HE21 GLN 61 8.461 -26.498 26.414 510 HE22 GLN 61 HE22 GLN 61 7.389 -25.854 25.267 511 HA PRO 62 HA PRO 62 4.266 -30.078 30.986 512 HB2 PRO 62 HB2 PRO 62 1.788 -31.073 30.397 513 HB3 PRO 62 HB1 PRO 62 2.437 -29.606 29.640 514 HG2 PRO 62 HG2 PRO 62 1.971 -32.230 28.446 515 HG3 PRO 62 HG1 PRO 62 2.291 -30.673 27.661 516 HD2 PRO 62 HD2 PRO 62 4.195 -32.864 28.213 517 HD3 PRO 62 HD1 PRO 62 4.404 -31.420 27.199 518 H SER 63 HN SER 63 5.391 -31.443 32.373 519 HA SER 63 HA SER 63 4.645 -34.226 32.708 520 HB2 SER 63 HB2 SER 63 6.340 -34.234 34.458 521 HB3 SER 63 HB1 SER 63 6.991 -33.449 33.023 522 HG SER 63 HG SER 63 6.102 -32.319 35.451 523 H SER 64 HN SER 64 3.412 -31.264 33.662 524 HA SER 64 HA SER 64 2.128 -32.419 36.079 525 HB2 SER 64 HB2 SER 64 1.976 -30.212 36.997 526 HB3 SER 64 HB1 SER 64 3.645 -30.455 36.489 527 HG SER 64 HG SER 64 1.929 -28.579 35.720 528 H GLU 65 HN GLU 65 1.293 -32.598 33.238 529 HA GLU 65 HA GLU 65 -0.634 -32.481 32.014 530 HB2 GLU 65 HB2 GLU 65 -1.802 -31.883 34.738 531 HB3 GLU 65 HB1 GLU 65 -2.766 -32.155 33.292 532 HG2 GLU 65 HG2 GLU 65 -1.788 -34.382 33.026 533 HG3 GLU 65 HG1 GLU 65 -0.747 -34.112 34.423 534 H ARG 66 HN ARG 66 1.039 -30.194 32.125 535 HA ARG 66 HA ARG 66 -0.667 -27.855 32.330 536 HB2 ARG 66 HB2 ARG 66 1.801 -27.910 32.951 537 HB3 ARG 66 HB1 ARG 66 2.137 -27.945 31.223 538 HG2 ARG 66 HG2 ARG 66 0.925 -25.847 30.901 539 HG3 ARG 66 HG1 ARG 66 0.470 -25.824 32.603 540 HD2 ARG 66 HD2 ARG 66 2.909 -25.793 33.182 541 HD3 ARG 66 HD1 ARG 66 3.267 -25.632 31.464 542 HE ARG 66 HE ARG 66 1.441 -23.617 32.132 543 HH11 ARG 66 HH21 ARG 66 4.651 -24.638 32.908 544 HH12 ARG 66 HH22 ARG 66 5.238 -23.035 33.205 545 HH21 ARG 66 HH11 ARG 66 2.199 -21.513 32.517 546 HH22 ARG 66 HH12 ARG 66 3.848 -21.264 32.981 547 H LEU 67 HN LEU 67 0.048 -30.159 29.941 548 HA LEU 67 HA LEU 67 0.239 -28.896 27.557 549 HB2 LEU 67 HB2 LEU 67 -1.317 -30.659 26.621 550 HB3 LEU 67 HB1 LEU 67 0.052 -31.259 27.536 551 HG LEU 67 HG LEU 67 -2.216 -30.760 29.326 552 HD11 LEU 67 HD11 LEU 67 -3.546 -31.239 27.282 553 HD12 LEU 67 HD12 LEU 67 -3.728 -32.492 28.510 554 HD13 LEU 67 HD13 LEU 67 -2.695 -32.774 27.109 555 HD21 LEU 67 HD21 LEU 67 -0.839 -33.359 28.573 556 HD22 LEU 67 HD22 LEU 67 -1.750 -33.031 30.046 557 HD23 LEU 67 HD23 LEU 67 -0.210 -32.214 29.759 558 H ASN 68 HN ASN 68 -2.351 -28.571 29.789 559 HA ASN 68 HA ASN 68 -4.529 -27.899 28.208 560 HB2 ASN 68 HB2 ASN 68 -4.672 -28.047 30.644 561 HB3 ASN 68 HB1 ASN 68 -3.620 -26.643 30.811 562 HD21 ASN 68 HD21 ASN 68 -6.890 -27.615 30.532 563 HD22 ASN 68 HD22 ASN 68 -7.558 -26.083 30.236 564 H ALA 69 HN ALA 69 -1.718 -25.954 29.137 565 HA ALA 69 HA ALA 69 -2.656 -23.533 27.925 566 HB1 ALA 69 HB1 ALA 69 -0.879 -23.739 29.742 567 HB2 ALA 69 HB2 ALA 69 -0.515 -22.639 28.412 568 HB3 ALA 69 HB3 ALA 69 0.225 -24.238 28.461 569 H PHE 70 HN PHE 70 -0.607 -26.217 26.886 570 HA PHE 70 HA PHE 70 0.380 -25.125 24.502 571 HB2 PHE 70 HB2 PHE 70 1.414 -27.145 24.983 572 HB3 PHE 70 HB1 PHE 70 -0.074 -27.885 25.546 573 HD1 PHE 70 HD1 PHE 70 1.331 -26.438 22.389 574 HD2 PHE 70 HD2 PHE 70 -1.033 -29.540 24.190 575 HE1 PHE 70 HE1 PHE 70 0.974 -27.467 20.161 576 HE2 PHE 70 HE2 PHE 70 -1.377 -30.572 21.964 577 HZ PHE 70 HZ PHE 70 -0.375 -29.533 19.949 578 H ARG 71 HN ARG 71 -2.775 -26.293 25.348 579 HA ARG 71 HA ARG 71 -3.778 -26.876 22.798 580 HB2 ARG 71 HB2 ARG 71 -5.217 -25.740 25.199 581 HB3 ARG 71 HB1 ARG 71 -5.999 -26.445 23.786 582 HG2 ARG 71 HG2 ARG 71 -3.938 -28.025 25.324 583 HG3 ARG 71 HG1 ARG 71 -5.601 -27.952 25.895 584 HD2 ARG 71 HD2 ARG 71 -6.368 -28.758 23.668 585 HD3 ARG 71 HD1 ARG 71 -4.689 -28.903 23.168 586 HE ARG 71 HE ARG 71 -5.459 -30.365 25.582 587 HH11 ARG 71 HH21 ARG 71 -4.865 -30.349 22.167 588 HH12 ARG 71 HH22 ARG 71 -4.606 -32.056 22.066 589 HH21 ARG 71 HH11 ARG 71 -5.128 -32.606 25.450 590 HH22 ARG 71 HH12 ARG 71 -4.758 -33.335 23.922 591 H GLU 72 HN GLU 72 -3.350 -23.851 24.509 592 HA GLU 72 HA GLU 72 -4.898 -22.191 22.860 593 HB2 GLU 72 HB2 GLU 72 -2.343 -21.637 24.391 594 HB3 GLU 72 HB1 GLU 72 -3.320 -20.386 23.621 595 HG2 GLU 72 HG2 GLU 72 -5.247 -21.001 24.990 596 HG3 GLU 72 HG1 GLU 72 -4.340 -22.330 25.710 597 H LEU 73 HN LEU 73 -1.474 -23.158 22.653 598 HA LEU 73 HA LEU 73 -0.930 -21.698 20.288 599 HB2 LEU 73 HB2 LEU 73 0.649 -22.958 22.049 600 HB3 LEU 73 HB1 LEU 73 0.535 -24.255 20.869 601 HG LEU 73 HG LEU 73 2.480 -22.911 20.330 602 HD11 LEU 73 HD11 LEU 73 0.818 -23.704 18.492 603 HD12 LEU 73 HD12 LEU 73 2.049 -22.525 18.044 604 HD13 LEU 73 HD13 LEU 73 0.398 -21.997 18.356 605 HD21 LEU 73 HD21 LEU 73 1.135 -20.781 21.434 606 HD22 LEU 73 HD22 LEU 73 0.958 -20.423 19.724 607 HD23 LEU 73 HD23 LEU 73 2.564 -20.616 20.418 608 H ARG 74 HN ARG 74 -2.007 -25.003 20.902 609 HA ARG 74 HA ARG 74 -1.924 -25.888 18.222 610 HB2 ARG 74 HB2 ARG 74 -2.048 -27.414 20.148 611 HB3 ARG 74 HB1 ARG 74 -3.681 -26.847 20.482 612 HG2 ARG 74 HG2 ARG 74 -4.475 -27.660 18.359 613 HG3 ARG 74 HG1 ARG 74 -2.836 -28.078 17.854 614 HD2 ARG 74 HD2 ARG 74 -2.716 -29.670 19.789 615 HD3 ARG 74 HD1 ARG 74 -4.414 -29.326 20.117 616 HE ARG 74 HE ARG 74 -4.024 -30.140 17.400 617 HH11 ARG 74 HH21 ARG 74 -4.217 -31.240 20.673 618 HH12 ARG 74 HH22 ARG 74 -4.766 -32.828 20.254 619 HH21 ARG 74 HH11 ARG 74 -4.747 -32.225 16.840 620 HH22 ARG 74 HH12 ARG 74 -5.068 -33.386 18.085 621 H THR 75 HN THR 75 -4.387 -24.315 20.166 622 HA THR 75 HA THR 75 -6.546 -24.549 18.410 623 HB THR 75 HB THR 75 -5.973 -22.231 20.183 624 HG1 THR 75 HG1 THR 75 -6.923 -24.817 20.715 625 HG21 THR 75 HG21 THR 75 -7.858 -22.000 18.610 626 HG22 THR 75 HG22 THR 75 -8.398 -22.052 20.288 627 HG23 THR 75 HG23 THR 75 -8.553 -23.481 19.266 628 H GLN 76 HN GLN 76 -4.040 -22.050 18.670 629 HA GLN 76 HA GLN 76 -5.037 -20.345 16.657 630 HB2 GLN 76 HB2 GLN 76 -2.217 -20.836 17.644 631 HB3 GLN 76 HB1 GLN 76 -2.656 -19.538 16.532 632 HG2 GLN 76 HG2 GLN 76 -4.227 -18.628 18.184 633 HG3 GLN 76 HG1 GLN 76 -3.843 -19.944 19.292 634 HE21 GLN 76 HE21 GLN 76 -3.316 -17.690 20.524 635 HE22 GLN 76 HE22 GLN 76 -1.686 -17.232 20.448 636 H LEU 77 HN LEU 77 -2.558 -22.907 16.505 637 HA LEU 77 HA LEU 77 -2.144 -22.730 13.708 638 HB2 LEU 77 HB2 LEU 77 -1.510 -24.730 15.846 639 HB3 LEU 77 HB1 LEU 77 -1.361 -25.245 14.170 640 HG LEU 77 HG LEU 77 0.774 -24.308 15.174 641 HD11 LEU 77 HD11 LEU 77 -0.079 -24.132 12.618 642 HD12 LEU 77 HD12 LEU 77 1.435 -23.415 13.141 643 HD13 LEU 77 HD13 LEU 77 0.008 -22.410 12.975 644 HD21 LEU 77 HD21 LEU 77 -0.482 -21.574 14.895 645 HD22 LEU 77 HD22 LEU 77 0.938 -22.057 15.818 646 HD23 LEU 77 HD23 LEU 77 -0.668 -22.474 16.395 647 H GLU 78 HN GLU 78 -4.305 -24.666 15.700 648 HA GLU 78 HA GLU 78 -5.310 -26.305 13.642 649 HB2 GLU 78 HB2 GLU 78 -5.631 -26.719 16.068 650 HB3 GLU 78 HB1 GLU 78 -6.731 -25.347 16.137 651 HG2 GLU 78 HG2 GLU 78 -7.171 -27.615 14.190 652 HG3 GLU 78 HG1 GLU 78 -7.763 -27.704 15.844 653 H LYS 79 HN LYS 79 -6.514 -23.235 14.993 654 HA LYS 79 HA LYS 79 -8.719 -23.019 13.223 655 HB2 LYS 79 HB2 LYS 79 -7.237 -21.014 14.922 656 HB3 LYS 79 HB1 LYS 79 -8.604 -20.557 13.908 657 HG2 LYS 79 HG2 LYS 79 -10.012 -22.235 15.060 658 HG3 LYS 79 HG1 LYS 79 -8.645 -22.666 16.089 659 HD2 LYS 79 HD2 LYS 79 -8.569 -20.408 17.007 660 HD3 LYS 79 HD1 LYS 79 -9.851 -19.890 15.910 661 HE2 LYS 79 HE2 LYS 79 -11.402 -21.498 16.956 662 HE3 LYS 79 HE1 LYS 79 -10.126 -22.020 18.055 663 HZ1 LYS 79 HZ1 LYS 79 -11.013 -19.201 17.855 664 HZ2 LYS 79 HZ2 LYS 79 -10.063 -19.914 19.069 665 HZ3 LYS 79 HZ3 LYS 79 -11.712 -20.303 18.939 666 H ALA 80 HN ALA 80 -5.409 -21.778 13.168 667 HA ALA 80 HA ALA 80 -5.687 -20.223 10.834 668 HB1 ALA 80 HB1 ALA 80 -3.181 -21.605 11.813 669 HB2 ALA 80 HB2 ALA 80 -3.773 -20.062 12.433 670 HB3 ALA 80 HB3 ALA 80 -3.270 -20.201 10.747 671 H LEU 81 HN LEU 81 -4.773 -23.590 11.369 672 HA LEU 81 HA LEU 81 -4.140 -24.183 8.669 673 HB2 LEU 81 HB2 LEU 81 -3.372 -25.645 10.448 674 HB3 LEU 81 HB1 LEU 81 -5.034 -25.989 10.928 675 HG LEU 81 HG LEU 81 -5.467 -27.075 8.766 676 HD11 LEU 81 HD11 LEU 81 -4.168 -25.966 7.163 677 HD12 LEU 81 HD12 LEU 81 -3.301 -27.490 7.338 678 HD13 LEU 81 HD13 LEU 81 -2.706 -26.039 8.146 679 HD21 LEU 81 HD21 LEU 81 -4.653 -28.561 10.442 680 HD22 LEU 81 HD22 LEU 81 -2.996 -27.987 10.251 681 HD23 LEU 81 HD23 LEU 81 -3.749 -28.948 8.978 682 H GLY 82 HN GLY 82 -7.106 -24.335 10.563 683 HA2 GLY 82 HA2 GLY 82 -8.696 -25.698 8.675 684 HA3 GLY 82 HA1 GLY 82 -9.303 -24.656 9.960 685 H LEU 83 HN LEU 83 -7.713 -22.368 8.977 686 HA LEU 83 HA LEU 83 -8.050 -20.522 7.656 687 HB2 LEU 83 HB2 LEU 83 -8.524 -22.719 5.630 688 HB3 LEU 83 HB1 LEU 83 -8.373 -21.019 5.210 689 HG LEU 83 HG LEU 83 -6.238 -22.396 6.845 690 HD11 LEU 83 HD11 LEU 83 -5.017 -22.738 4.668 691 HD12 LEU 83 HD12 LEU 83 -6.526 -22.377 3.829 692 HD13 LEU 83 HD13 LEU 83 -6.418 -23.787 4.884 693 HD21 LEU 83 HD21 LEU 83 -4.822 -20.657 5.672 694 HD22 LEU 83 HD22 LEU 83 -6.044 -19.982 6.738 695 HD23 LEU 83 HD23 LEU 83 -6.303 -19.986 4.996 696 H GLU 84 HN GLU 84 -10.469 -22.372 8.698 697 HA GLU 84 HA GLU 84 -12.638 -21.272 7.106 698 HB2 GLU 84 HB2 GLU 84 -12.673 -23.581 8.137 699 HB3 GLU 84 HB1 GLU 84 -12.811 -22.798 9.712 700 HG2 GLU 84 HG2 GLU 84 -15.046 -23.304 8.998 701 HG3 GLU 84 HG1 GLU 84 -14.835 -21.566 8.802 702 H HIS 85 HN HIS 85 -13.131 -19.187 7.387 703 HA HIS 85 HA HIS 85 -12.707 -17.874 9.960 704 HB2 HIS 85 HB2 HIS 85 -12.110 -16.733 7.843 705 HB3 HIS 85 HB1 HIS 85 -13.806 -16.774 7.362 706 HD2 HIS 85 HD2 HIS 85 -15.316 -14.675 8.379 707 HE1 HIS 85 HE1 HIS 85 -12.512 -13.283 11.211 708 HE2 HIS 85 HE2 HIS 85 -14.765 -12.822 10.135 709 H HIS 86 HN HIS 86 -15.456 -17.897 7.675 710 HA HIS 86 HA HIS 86 -17.317 -18.678 9.736 711 HB2 HIS 86 HB2 HIS 86 -17.061 -16.327 10.327 712 HB3 HIS 86 HB1 HIS 86 -17.385 -15.850 8.661 713 HD2 HIS 86 HD2 HIS 86 -20.084 -15.557 8.075 714 HE1 HIS 86 HE1 HIS 86 -21.621 -17.383 11.557 715 HE2 HIS 86 HE2 HIS 86 -22.236 -16.115 9.445 716 H HIS 87 HN HIS 87 -16.487 -17.891 6.490 717 HA HIS 87 HA HIS 87 -19.078 -18.156 5.314 718 HB2 HIS 87 HB2 HIS 87 -17.178 -17.036 4.172 719 HB3 HIS 87 HB1 HIS 87 -16.359 -18.594 4.052 720 HD2 HIS 87 HD2 HIS 87 -17.041 -20.001 1.770 721 HE1 HIS 87 HE1 HIS 87 -20.604 -17.936 0.844 722 HE2 HIS 87 HE2 HIS 87 -18.996 -19.737 0.059 723 H HIS 88 HN HIS 88 -20.213 -19.944 4.880 724 HA HIS 88 HA HIS 88 -18.970 -22.567 5.383 725 HB2 HIS 88 HB2 HIS 88 -21.293 -23.401 5.414 726 HB3 HIS 88 HB1 HIS 88 -21.054 -22.089 6.569 727 HD2 HIS 88 HD2 HIS 88 -23.225 -22.882 3.471 728 HE1 HIS 88 HE1 HIS 88 -23.845 -18.810 4.396 729 HE2 HIS 88 HE2 HIS 88 -24.661 -20.755 2.984 730 H HIS 89 HN HIS 89 -17.768 -22.604 3.424 731 HA HIS 89 HA HIS 89 -17.434 -22.821 1.132 732 HB2 HIS 89 HB2 HIS 89 -17.659 -25.081 1.981 733 HB3 HIS 89 HB1 HIS 89 -19.413 -25.002 1.818 734 HD2 HIS 89 HD2 HIS 89 -20.292 -25.914 -0.630 735 HE1 HIS 89 HE1 HIS 89 -16.663 -25.533 -2.754 736 HE2 HIS 89 HE2 HIS 89 -19.072 -26.322 -2.903 737 H HIS 90 HN HIS 90 -20.758 -24.004 0.948 738 HA HIS 90 HA HIS 90 -21.836 -21.610 -0.200 739 HB2 HIS 90 HB2 HIS 90 -20.410 -22.265 -2.080 740 HB3 HIS 90 HB1 HIS 90 -21.144 -23.868 -2.094 741 HD2 HIS 90 HD2 HIS 90 -23.339 -24.007 -3.768 742 HE1 HIS 90 HE1 HIS 90 -24.242 -19.886 -3.921 743 HE2 HIS 90 HE2 HIS 90 -24.887 -22.177 -4.805 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -10.162 -17.096 16.987 2 H2 MET 1 HT2 MET 1 -8.650 -17.792 16.646 3 H3 MET 1 HT3 MET 1 -8.984 -16.199 16.160 4 HA MET 1 HA MET 1 -8.076 -15.484 18.032 5 HB2 MET 1 HB2 MET 1 -10.425 -17.011 19.180 6 HB3 MET 1 HB1 MET 1 -9.396 -15.953 20.145 7 HG2 MET 1 HG2 MET 1 -9.947 -14.051 18.706 8 HG3 MET 1 HG1 MET 1 -10.910 -15.096 17.662 9 HE1 MET 1 HE1 MET 1 -10.886 -15.206 21.805 10 HE2 MET 1 HE2 MET 1 -11.698 -13.645 21.888 11 HE3 MET 1 HE3 MET 1 -10.177 -13.793 21.015 12 H GLY 2 HN GLY 2 -6.504 -15.990 19.538 13 HA2 GLY 2 HA2 GLY 2 -5.105 -17.304 20.844 14 HA3 GLY 2 HA1 GLY 2 -6.173 -18.675 20.555 15 H VAL 3 HN VAL 3 -5.530 -17.297 17.620 16 HA VAL 3 HA VAL 3 -3.978 -19.473 16.687 17 HB VAL 3 HB VAL 3 -4.469 -16.742 15.478 18 HG11 VAL 3 HG11 VAL 3 -3.207 -19.258 14.368 19 HG12 VAL 3 HG12 VAL 3 -2.520 -17.635 14.416 20 HG13 VAL 3 HG13 VAL 3 -3.868 -17.991 13.336 21 HG21 VAL 3 HG21 VAL 3 -6.037 -18.158 14.037 22 HG22 VAL 3 HG22 VAL 3 -6.539 -17.920 15.711 23 HG23 VAL 3 HG23 VAL 3 -5.805 -19.447 15.220 24 H TRP 4 HN TRP 4 -3.136 -16.131 17.532 25 HA TRP 4 HA TRP 4 -0.316 -16.564 17.001 26 HB2 TRP 4 HB2 TRP 4 -0.147 -14.218 17.992 27 HB3 TRP 4 HB1 TRP 4 -1.100 -14.375 16.514 28 HD1 TRP 4 HD1 TRP 4 -3.805 -14.478 16.823 29 HE1 TRP 4 HE1 TRP 4 -5.309 -13.381 18.608 30 HE3 TRP 4 HE3 TRP 4 -0.314 -13.449 20.406 31 HZ2 TRP 4 HZ2 TRP 4 -5.062 -12.220 21.212 32 HZ3 TRP 4 HZ3 TRP 4 -0.976 -12.348 22.526 33 HH2 TRP 4 HH2 TRP 4 -3.343 -11.733 22.933 34 H THR 5 HN THR 5 1.231 -17.026 18.435 35 HA THR 5 HA THR 5 0.845 -16.660 21.284 36 HB THR 5 HB THR 5 1.456 -19.461 20.356 37 HG1 THR 5 HG1 THR 5 -0.550 -19.266 19.605 38 HG21 THR 5 HG21 THR 5 0.938 -20.050 22.605 39 HG22 THR 5 HG22 THR 5 0.192 -18.483 22.916 40 HG23 THR 5 HG23 THR 5 1.940 -18.602 22.715 41 HA PRO 6 HA PRO 6 5.213 -16.679 19.360 42 HB2 PRO 6 HB2 PRO 6 5.656 -13.965 19.411 43 HB3 PRO 6 HB1 PRO 6 4.942 -14.804 18.018 44 HG2 PRO 6 HG2 PRO 6 3.576 -13.306 20.218 45 HG3 PRO 6 HG1 PRO 6 3.280 -13.246 18.470 46 HD2 PRO 6 HD2 PRO 6 1.696 -14.699 20.112 47 HD3 PRO 6 HD1 PRO 6 2.089 -15.250 18.464 48 H GLU 7 HN GLU 7 7.156 -15.384 20.440 49 HA GLU 7 HA GLU 7 7.530 -16.228 23.013 50 HB2 GLU 7 HB2 GLU 7 8.642 -13.748 21.685 51 HB3 GLU 7 HB1 GLU 7 9.237 -14.402 23.212 52 HG2 GLU 7 HG2 GLU 7 9.772 -16.529 22.117 53 HG3 GLU 7 HG1 GLU 7 9.135 -15.920 20.591 54 H VAL 8 HN VAL 8 5.461 -13.705 21.972 55 HA VAL 8 HA VAL 8 5.442 -11.924 24.099 56 HB VAL 8 HB VAL 8 4.064 -11.801 21.952 57 HG11 VAL 8 HG11 VAL 8 3.077 -14.134 22.346 58 HG12 VAL 8 HG12 VAL 8 1.943 -12.879 21.857 59 HG13 VAL 8 HG13 VAL 8 2.034 -13.374 23.545 60 HG21 VAL 8 HG21 VAL 8 2.121 -10.686 23.163 61 HG22 VAL 8 HG22 VAL 8 3.725 -10.130 23.639 62 HG23 VAL 8 HG23 VAL 8 2.841 -11.257 24.668 63 H LEU 9 HN LEU 9 3.791 -15.054 23.782 64 HA LEU 9 HA LEU 9 2.389 -14.953 26.230 65 HB2 LEU 9 HB2 LEU 9 1.848 -16.591 24.483 66 HB3 LEU 9 HB1 LEU 9 3.423 -17.353 24.692 67 HG LEU 9 HG LEU 9 2.851 -17.959 27.005 68 HD11 LEU 9 HD11 LEU 9 0.293 -17.632 27.563 69 HD12 LEU 9 HD12 LEU 9 0.402 -16.313 26.399 70 HD13 LEU 9 HD13 LEU 9 1.420 -16.306 27.838 71 HD21 LEU 9 HD21 LEU 9 1.268 -19.681 26.497 72 HD22 LEU 9 HD22 LEU 9 2.170 -19.393 25.011 73 HD23 LEU 9 HD23 LEU 9 0.547 -18.730 25.201 74 H LYS 10 HN LYS 10 5.587 -16.198 25.350 75 HA LYS 10 HA LYS 10 6.274 -17.262 27.872 76 HB2 LYS 10 HB2 LYS 10 7.534 -17.803 25.843 77 HB3 LYS 10 HB1 LYS 10 8.067 -16.126 25.715 78 HG2 LYS 10 HG2 LYS 10 9.299 -16.278 27.780 79 HG3 LYS 10 HG1 LYS 10 8.610 -17.860 28.140 80 HD2 LYS 10 HD2 LYS 10 10.121 -17.520 25.557 81 HD3 LYS 10 HD1 LYS 10 11.043 -17.631 27.053 82 HE2 LYS 10 HE2 LYS 10 8.973 -19.650 26.137 83 HE3 LYS 10 HE1 LYS 10 10.718 -19.858 26.013 84 HZ1 LYS 10 HZ1 LYS 10 10.138 -19.103 28.632 85 HZ2 LYS 10 HZ2 LYS 10 10.727 -20.600 28.082 86 HZ3 LYS 10 HZ3 LYS 10 9.053 -20.341 28.222 87 H ALA 11 HN ALA 11 6.681 -14.041 26.462 88 HA ALA 11 HA ALA 11 8.231 -12.938 28.545 89 HB1 ALA 11 HB1 ALA 11 7.928 -11.855 26.345 90 HB2 ALA 11 HB2 ALA 11 7.513 -10.766 27.669 91 HB3 ALA 11 HB3 ALA 11 6.236 -11.550 26.740 92 H ARG 12 HN ARG 12 4.734 -13.243 28.086 93 HA ARG 12 HA ARG 12 3.931 -11.656 30.283 94 HB2 ARG 12 HB2 ARG 12 2.474 -12.517 28.389 95 HB3 ARG 12 HB1 ARG 12 2.471 -14.073 29.213 96 HG2 ARG 12 HG2 ARG 12 0.554 -13.146 30.146 97 HG3 ARG 12 HG1 ARG 12 1.746 -12.581 31.312 98 HD2 ARG 12 HD2 ARG 12 0.368 -10.696 30.692 99 HD3 ARG 12 HD1 ARG 12 1.952 -10.465 29.962 100 HE ARG 12 HE ARG 12 0.137 -11.826 28.200 101 HH11 ARG 12 HH21 ARG 12 1.111 -8.760 29.474 102 HH12 ARG 12 HH22 ARG 12 0.550 -7.859 28.105 103 HH21 ARG 12 HH11 ARG 12 -0.602 -10.655 26.405 104 HH22 ARG 12 HH12 ARG 12 -0.421 -8.933 26.366 105 H ALA 13 HN ALA 13 4.342 -15.193 29.994 106 HA ALA 13 HA ALA 13 3.854 -15.662 32.785 107 HB1 ALA 13 HB1 ALA 13 4.658 -17.963 32.262 108 HB2 ALA 13 HB2 ALA 13 5.069 -17.416 30.637 109 HB3 ALA 13 HB3 ALA 13 3.388 -17.414 31.169 110 H SER 14 HN SER 14 6.739 -15.569 30.734 111 HA SER 14 HA SER 14 8.584 -16.093 32.853 112 HB2 SER 14 HB2 SER 14 8.985 -16.432 30.355 113 HB3 SER 14 HB1 SER 14 9.218 -14.688 30.257 114 HG SER 14 HG SER 14 10.571 -16.111 32.249 115 H VAL 15 HN VAL 15 6.897 -13.311 31.751 116 HA VAL 15 HA VAL 15 6.851 -11.135 32.470 117 HB VAL 15 HB VAL 15 8.675 -11.974 34.723 118 HG11 VAL 15 HG11 VAL 15 6.388 -9.994 34.675 119 HG12 VAL 15 HG12 VAL 15 8.053 -9.537 34.311 120 HG13 VAL 15 HG13 VAL 15 7.640 -10.170 35.905 121 HG21 VAL 15 HG21 VAL 15 6.954 -13.624 34.757 122 HG22 VAL 15 HG22 VAL 15 5.715 -12.447 34.322 123 HG23 VAL 15 HG23 VAL 15 6.448 -12.404 35.925 124 H ILE 16 HN ILE 16 10.125 -12.219 33.392 125 HA ILE 16 HA ILE 16 11.284 -9.842 32.175 126 HB ILE 16 HB ILE 16 12.074 -10.735 34.371 127 HG12 ILE 16 HG12 ILE 16 14.234 -10.906 32.256 128 HG13 ILE 16 HG11 ILE 16 13.508 -9.377 32.753 129 HG21 ILE 16 HG21 ILE 16 13.327 -12.952 32.739 130 HG22 ILE 16 HG22 ILE 16 11.812 -13.160 33.616 131 HG23 ILE 16 HG23 ILE 16 13.294 -12.785 34.494 132 HD11 ILE 16 HD11 ILE 16 14.752 -11.325 34.708 133 HD12 ILE 16 HD12 ILE 16 14.261 -9.661 35.017 134 HD13 ILE 16 HD13 ILE 16 15.646 -9.992 33.978 135 H GLY 17 HN GLY 17 12.393 -9.773 30.291 136 HA2 GLY 17 HA2 GLY 17 11.976 -11.581 28.247 137 HA3 GLY 17 HA1 GLY 17 13.339 -10.463 28.298 138 H LYS 18 HN LYS 18 13.251 -13.213 27.277 139 HA LYS 18 HA LYS 18 15.412 -14.346 28.942 140 HB2 LYS 18 HB2 LYS 18 12.882 -15.659 27.995 141 HB3 LYS 18 HB1 LYS 18 14.324 -16.633 28.214 142 HG2 LYS 18 HG2 LYS 18 13.388 -14.768 30.399 143 HG3 LYS 18 HG1 LYS 18 12.668 -16.366 30.220 144 HD2 LYS 18 HD2 LYS 18 15.039 -17.313 30.287 145 HD3 LYS 18 HD1 LYS 18 15.572 -15.707 30.781 146 HE2 LYS 18 HE2 LYS 18 13.996 -15.794 32.693 147 HE3 LYS 18 HE1 LYS 18 13.539 -17.430 32.216 148 HZ1 LYS 18 HZ1 LYS 18 15.238 -18.131 33.432 149 HZ2 LYS 18 HZ2 LYS 18 15.817 -16.553 33.673 150 HZ3 LYS 18 HZ3 LYS 18 16.286 -17.432 32.297 151 HA PRO 19 HA PRO 19 17.604 -14.750 25.130 152 HB2 PRO 19 HB2 PRO 19 18.990 -17.111 25.540 153 HB3 PRO 19 HB1 PRO 19 19.447 -15.553 26.258 154 HG2 PRO 19 HG2 PRO 19 17.901 -17.808 27.462 155 HG3 PRO 19 HG1 PRO 19 19.178 -16.809 28.180 156 HD2 PRO 19 HD2 PRO 19 16.576 -16.368 28.742 157 HD3 PRO 19 HD1 PRO 19 17.730 -15.022 28.600 158 H ILE 20 HN ILE 20 17.507 -15.759 23.118 159 HA ILE 20 HA ILE 20 15.233 -17.519 22.718 160 HB ILE 20 HB ILE 20 15.452 -15.727 21.185 161 HG12 ILE 20 HG12 ILE 20 15.099 -18.320 20.384 162 HG13 ILE 20 HG11 ILE 20 14.965 -16.945 19.299 163 HG21 ILE 20 HG21 ILE 20 18.296 -16.684 20.807 164 HG22 ILE 20 HG22 ILE 20 17.746 -15.133 21.425 165 HG23 ILE 20 HG23 ILE 20 17.518 -15.533 19.727 166 HD11 ILE 20 HD11 ILE 20 17.195 -17.285 18.450 167 HD12 ILE 20 HD12 ILE 20 16.407 -18.859 18.447 168 HD13 ILE 20 HD13 ILE 20 17.567 -18.460 19.706 169 H GLY 21 HN GLY 21 15.291 -19.635 22.282 170 HA2 GLY 21 HA2 GLY 21 17.835 -21.043 22.492 171 HA3 GLY 21 HA1 GLY 21 16.234 -21.770 22.477 172 H GLU 22 HN GLU 22 18.587 -22.529 20.918 173 HA GLU 22 HA GLU 22 18.507 -21.653 18.260 174 HB2 GLU 22 HB2 GLU 22 20.213 -23.170 19.446 175 HB3 GLU 22 HB1 GLU 22 19.122 -24.493 19.055 176 HG2 GLU 22 HG2 GLU 22 19.253 -23.822 16.637 177 HG3 GLU 22 HG1 GLU 22 20.423 -22.589 17.081 178 H SER 23 HN SER 23 18.093 -24.786 17.618 179 HA SER 23 HA SER 23 15.571 -24.423 16.342 180 HB2 SER 23 HB2 SER 23 17.327 -25.906 15.444 181 HB3 SER 23 HB1 SER 23 17.123 -26.972 16.831 182 HG SER 23 HG SER 23 15.529 -27.827 15.779 183 H TYR 24 HN TYR 24 16.540 -25.507 19.466 184 HA TYR 24 HA TYR 24 14.389 -27.209 20.116 185 HB2 TYR 24 HB2 TYR 24 16.383 -27.079 21.510 186 HB3 TYR 24 HB1 TYR 24 16.034 -25.393 21.893 187 HD1 TYR 24 HD1 TYR 24 14.698 -28.856 22.185 188 HD2 TYR 24 HD2 TYR 24 14.534 -24.820 23.647 189 HE1 TYR 24 HE1 TYR 24 13.231 -29.589 24.044 190 HE2 TYR 24 HE2 TYR 24 13.066 -25.554 25.508 191 HH TYR 24 HH TYR 24 12.518 -27.579 26.727 192 H LYS 25 HN LYS 25 14.821 -23.718 20.696 193 HA LYS 25 HA LYS 25 12.089 -23.425 21.639 194 HB2 LYS 25 HB2 LYS 25 13.948 -22.106 22.604 195 HB3 LYS 25 HB1 LYS 25 14.161 -21.302 21.048 196 HG2 LYS 25 HG2 LYS 25 11.844 -20.456 21.157 197 HG3 LYS 25 HG1 LYS 25 11.608 -21.286 22.695 198 HD2 LYS 25 HD2 LYS 25 13.433 -19.933 23.689 199 HD3 LYS 25 HD1 LYS 25 13.619 -19.091 22.150 200 HE2 LYS 25 HE2 LYS 25 11.310 -18.279 22.286 201 HE3 LYS 25 HE1 LYS 25 11.087 -19.138 23.810 202 HZ1 LYS 25 HZ1 LYS 25 13.287 -17.203 23.489 203 HZ2 LYS 25 HZ2 LYS 25 12.530 -17.735 24.915 204 HZ3 LYS 25 HZ3 LYS 25 11.724 -16.666 23.869 205 H ARG 26 HN ARG 26 13.850 -22.997 18.667 206 HA ARG 26 HA ARG 26 12.444 -21.156 17.242 207 HB2 ARG 26 HB2 ARG 26 14.347 -22.458 16.355 208 HB3 ARG 26 HB1 ARG 26 13.304 -23.876 16.220 209 HG2 ARG 26 HG2 ARG 26 11.838 -22.639 14.655 210 HG3 ARG 26 HG1 ARG 26 12.893 -21.231 14.786 211 HD2 ARG 26 HD2 ARG 26 13.813 -23.958 13.845 212 HD3 ARG 26 HD1 ARG 26 13.339 -22.654 12.761 213 HE ARG 26 HE ARG 26 15.298 -21.676 14.541 214 HH11 ARG 26 HH21 ARG 26 14.893 -23.925 11.940 215 HH12 ARG 26 HH22 ARG 26 16.528 -23.787 11.383 216 HH21 ARG 26 HH11 ARG 26 17.444 -21.492 13.816 217 HH22 ARG 26 HH12 ARG 26 17.971 -22.411 12.445 218 H ILE 27 HN ILE 27 11.310 -24.171 18.473 219 HA ILE 27 HA ILE 27 9.131 -24.533 16.721 220 HB ILE 27 HB ILE 27 9.997 -26.294 18.255 221 HG12 ILE 27 HG12 ILE 27 7.097 -25.664 18.851 222 HG13 ILE 27 HG11 ILE 27 7.634 -26.251 17.276 223 HG21 ILE 27 HG21 ILE 27 8.481 -24.875 20.449 224 HG22 ILE 27 HG22 ILE 27 10.201 -24.585 20.188 225 HG23 ILE 27 HG23 ILE 27 9.632 -26.204 20.592 226 HD11 ILE 27 HD11 ILE 27 8.496 -28.286 18.252 227 HD12 ILE 27 HD12 ILE 27 6.848 -28.068 18.842 228 HD13 ILE 27 HD13 ILE 27 8.218 -27.677 19.883 229 H LEU 28 HN LEU 28 9.455 -22.939 19.868 230 HA LEU 28 HA LEU 28 6.746 -22.121 20.066 231 HB2 LEU 28 HB2 LEU 28 8.177 -22.232 22.034 232 HB3 LEU 28 HB1 LEU 28 9.248 -21.008 21.359 233 HG LEU 28 HG LEU 28 7.454 -19.340 21.441 234 HD11 LEU 28 HD11 LEU 28 5.440 -20.480 21.058 235 HD12 LEU 28 HD12 LEU 28 5.333 -20.121 22.779 236 HD13 LEU 28 HD13 LEU 28 5.806 -21.734 22.241 237 HD21 LEU 28 HD21 LEU 28 7.966 -20.920 23.966 238 HD22 LEU 28 HD22 LEU 28 7.065 -19.404 23.975 239 HD23 LEU 28 HD23 LEU 28 8.744 -19.429 23.434 240 H ALA 29 HN ALA 29 9.683 -20.529 18.891 241 HA ALA 29 HA ALA 29 8.418 -18.037 18.308 242 HB1 ALA 29 HB1 ALA 29 10.509 -17.622 16.970 243 HB2 ALA 29 HB2 ALA 29 11.024 -19.256 17.387 244 HB3 ALA 29 HB3 ALA 29 10.792 -18.054 18.657 245 H LYS 30 HN LYS 30 8.499 -21.074 16.760 246 HA LYS 30 HA LYS 30 8.385 -20.490 14.060 247 HB2 LYS 30 HB2 LYS 30 8.276 -22.782 15.243 248 HB3 LYS 30 HB1 LYS 30 6.539 -22.513 15.323 249 HG2 LYS 30 HG2 LYS 30 6.691 -23.625 13.283 250 HG3 LYS 30 HG1 LYS 30 6.824 -21.959 12.735 251 HD2 LYS 30 HD2 LYS 30 9.277 -22.150 12.713 252 HD3 LYS 30 HD1 LYS 30 9.163 -23.802 13.317 253 HE2 LYS 30 HE2 LYS 30 7.905 -24.456 11.300 254 HE3 LYS 30 HE1 LYS 30 8.018 -22.803 10.694 255 HZ1 LYS 30 HZ1 LYS 30 10.143 -24.814 11.009 256 HZ2 LYS 30 HZ2 LYS 30 10.536 -23.162 11.053 257 HZ3 LYS 30 HZ3 LYS 30 9.792 -23.824 9.677 258 H LEU 31 HN LEU 31 5.987 -19.976 16.538 259 HA LEU 31 HA LEU 31 3.696 -19.653 14.951 260 HB2 LEU 31 HB2 LEU 31 4.557 -18.583 17.627 261 HB3 LEU 31 HB1 LEU 31 3.057 -18.014 16.904 262 HG LEU 31 HG LEU 31 2.764 -19.969 18.445 263 HD11 LEU 31 HD11 LEU 31 1.034 -20.823 17.182 264 HD12 LEU 31 HD12 LEU 31 2.028 -21.051 15.752 265 HD13 LEU 31 HD13 LEU 31 1.412 -19.451 16.154 266 HD21 LEU 31 HD21 LEU 31 4.127 -21.581 16.273 267 HD22 LEU 31 HD22 LEU 31 3.632 -22.124 17.875 268 HD23 LEU 31 HD23 LEU 31 4.986 -21.010 17.703 269 H GLN 32 HN GLN 32 6.281 -17.402 15.800 270 HA GLN 32 HA GLN 32 5.201 -15.015 14.907 271 HB2 GLN 32 HB2 GLN 32 7.390 -15.170 16.007 272 HB3 GLN 32 HB1 GLN 32 8.051 -15.999 14.601 273 HG2 GLN 32 HG2 GLN 32 6.743 -13.297 14.289 274 HG3 GLN 32 HG1 GLN 32 8.413 -13.415 14.836 275 HE21 GLN 32 HE21 GLN 32 9.806 -14.973 13.348 276 HE22 GLN 32 HE22 GLN 32 9.548 -14.806 11.678 277 H ARG 33 HN ARG 33 6.725 -17.619 13.044 278 HA ARG 33 HA ARG 33 6.627 -16.268 10.533 279 HB2 ARG 33 HB2 ARG 33 8.059 -18.299 11.135 280 HB3 ARG 33 HB1 ARG 33 6.597 -19.263 10.918 281 HG2 ARG 33 HG2 ARG 33 6.362 -18.415 8.619 282 HG3 ARG 33 HG1 ARG 33 7.806 -17.425 8.829 283 HD2 ARG 33 HD2 ARG 33 9.073 -19.557 9.341 284 HD3 ARG 33 HD1 ARG 33 7.634 -20.445 8.852 285 HE ARG 33 HE ARG 33 8.045 -19.837 6.621 286 HH11 ARG 33 HH21 ARG 33 10.150 -18.214 8.840 287 HH12 ARG 33 HH22 ARG 33 11.234 -17.648 7.616 288 HH21 ARG 33 HH11 ARG 33 9.468 -19.085 5.004 289 HH22 ARG 33 HH12 ARG 33 10.849 -18.141 5.449 290 H ILE 34 HN ILE 34 4.484 -18.535 12.204 291 HA ILE 34 HA ILE 34 2.612 -18.895 10.115 292 HB ILE 34 HB ILE 34 2.092 -18.975 13.093 293 HG12 ILE 34 HG12 ILE 34 3.973 -20.425 12.557 294 HG13 ILE 34 HG11 ILE 34 2.556 -21.418 12.858 295 HG21 ILE 34 HG21 ILE 34 0.017 -19.013 11.933 296 HG22 ILE 34 HG22 ILE 34 0.378 -20.699 12.303 297 HG23 ILE 34 HG23 ILE 34 0.653 -20.074 10.676 298 HD11 ILE 34 HD11 ILE 34 3.432 -22.376 10.911 299 HD12 ILE 34 HD12 ILE 34 3.930 -20.820 10.252 300 HD13 ILE 34 HD13 ILE 34 2.227 -21.267 10.256 301 H HIS 35 HN HIS 35 2.794 -16.546 12.779 302 HA HIS 35 HA HIS 35 0.385 -15.274 12.640 303 HB2 HIS 35 HB2 HIS 35 2.212 -14.609 14.164 304 HB3 HIS 35 HB1 HIS 35 3.082 -13.903 12.802 305 HD2 HIS 35 HD2 HIS 35 2.472 -11.239 12.454 306 HE1 HIS 35 HE1 HIS 35 -1.275 -11.215 14.399 307 HE2 HIS 35 HE2 HIS 35 0.454 -9.772 13.225 308 H ASN 36 HN ASN 36 3.206 -14.184 10.725 309 HA ASN 36 HA ASN 36 1.664 -12.529 9.005 310 HB2 ASN 36 HB2 ASN 36 4.444 -13.684 8.763 311 HB3 ASN 36 HB1 ASN 36 3.757 -12.566 7.586 312 HD21 ASN 36 HD21 ASN 36 2.276 -10.953 9.562 313 HD22 ASN 36 HD22 ASN 36 3.438 -10.088 10.445 314 H SER 37 HN SER 37 2.897 -15.832 8.712 315 HA SER 37 HA SER 37 1.789 -16.162 6.046 316 HB2 SER 37 HB2 SER 37 3.981 -17.194 7.030 317 HB3 SER 37 HB1 SER 37 2.898 -18.409 7.699 318 HG SER 37 HG SER 37 2.829 -17.607 4.984 319 H ASN 38 HN ASN 38 0.116 -15.728 8.580 320 HA ASN 38 HA ASN 38 -1.237 -17.918 9.470 321 HB2 ASN 38 HB2 ASN 38 -1.743 -15.618 10.184 322 HB3 ASN 38 HB1 ASN 38 -2.499 -15.297 8.626 323 HD21 ASN 38 HD21 ASN 38 -2.715 -17.880 11.150 324 HD22 ASN 38 HD22 ASN 38 -4.412 -17.935 11.142 325 H ILE 39 HN ILE 39 -2.185 -19.559 8.513 326 HA ILE 39 HA ILE 39 -3.038 -20.877 6.830 327 HB ILE 39 HB ILE 39 -4.920 -18.585 6.358 328 HG12 ILE 39 HG12 ILE 39 -4.675 -18.706 8.752 329 HG13 ILE 39 HG11 ILE 39 -6.167 -19.522 8.324 330 HG21 ILE 39 HG21 ILE 39 -5.202 -20.621 4.991 331 HG22 ILE 39 HG22 ILE 39 -6.537 -20.450 6.133 332 HG23 ILE 39 HG23 ILE 39 -5.240 -21.604 6.456 333 HD11 ILE 39 HD11 ILE 39 -3.541 -20.772 9.101 334 HD12 ILE 39 HD12 ILE 39 -4.822 -21.693 8.315 335 HD13 ILE 39 HD13 ILE 39 -5.107 -20.955 9.889 336 H LEU 40 HN LEU 40 -0.862 -20.088 5.715 337 HA LEU 40 HA LEU 40 -1.499 -18.683 3.187 338 HB2 LEU 40 HB2 LEU 40 0.377 -17.803 4.621 339 HB3 LEU 40 HB1 LEU 40 1.228 -19.320 4.344 340 HG LEU 40 HG LEU 40 1.090 -18.899 1.881 341 HD11 LEU 40 HD11 LEU 40 -0.665 -17.447 1.433 342 HD12 LEU 40 HD12 LEU 40 0.665 -16.295 1.437 343 HD13 LEU 40 HD13 LEU 40 -0.361 -16.460 2.860 344 HD21 LEU 40 HD21 LEU 40 2.379 -16.619 3.407 345 HD22 LEU 40 HD22 LEU 40 2.877 -17.266 1.843 346 HD23 LEU 40 HD23 LEU 40 3.063 -18.240 3.299 347 H ASP 41 HN ASP 41 -1.573 -19.803 1.349 348 HA ASP 41 HA ASP 41 -1.687 -22.496 1.085 349 HB2 ASP 41 HB2 ASP 41 -2.208 -20.899 -0.719 350 HB3 ASP 41 HB1 ASP 41 -0.484 -20.628 -0.960 351 H GLU 42 HN GLU 42 1.193 -20.636 1.538 352 HA GLU 42 HA GLU 42 2.992 -22.740 0.666 353 HB2 GLU 42 HB2 GLU 42 3.488 -20.285 0.472 354 HB3 GLU 42 HB1 GLU 42 3.634 -20.238 2.228 355 HG2 GLU 42 HG2 GLU 42 5.429 -21.901 2.154 356 HG3 GLU 42 HG1 GLU 42 5.252 -22.042 0.406 357 H ARG 43 HN ARG 43 2.369 -21.122 3.803 358 HA ARG 43 HA ARG 43 3.771 -23.172 5.269 359 HB2 ARG 43 HB2 ARG 43 2.491 -20.574 5.890 360 HB3 ARG 43 HB1 ARG 43 2.360 -21.756 7.185 361 HG2 ARG 43 HG2 ARG 43 4.389 -20.473 7.509 362 HG3 ARG 43 HG1 ARG 43 4.836 -22.112 7.048 363 HD2 ARG 43 HD2 ARG 43 4.950 -21.238 4.639 364 HD3 ARG 43 HD1 ARG 43 4.862 -19.625 5.331 365 HE ARG 43 HE ARG 43 6.898 -20.689 6.729 366 HH11 ARG 43 HH21 ARG 43 6.108 -20.694 3.364 367 HH12 ARG 43 HH22 ARG 43 7.755 -20.773 2.834 368 HH21 ARG 43 HH11 ARG 43 9.062 -20.799 6.047 369 HH22 ARG 43 HH12 ARG 43 9.430 -20.831 4.354 370 H GLN 44 HN GLN 44 0.572 -22.790 4.117 371 HA GLN 44 HA GLN 44 -1.062 -24.007 5.931 372 HB2 GLN 44 HB2 GLN 44 -0.940 -23.979 2.951 373 HB3 GLN 44 HB1 GLN 44 -1.980 -25.207 3.668 374 HG2 GLN 44 HG2 GLN 44 -3.168 -23.467 4.942 375 HG3 GLN 44 HG1 GLN 44 -2.121 -22.234 4.246 376 HE21 GLN 44 HE21 GLN 44 -3.977 -25.027 2.897 377 HE22 GLN 44 HE22 GLN 44 -4.702 -24.125 1.655 378 H GLY 45 HN GLY 45 1.347 -25.568 3.866 379 HA2 GLY 45 HA2 GLY 45 0.643 -28.239 4.572 380 HA3 GLY 45 HA1 GLY 45 2.157 -27.724 3.832 381 H LEU 46 HN LEU 46 3.078 -25.919 5.724 382 HA LEU 46 HA LEU 46 4.286 -27.643 7.601 383 HB2 LEU 46 HB2 LEU 46 5.012 -25.272 6.666 384 HB3 LEU 46 HB1 LEU 46 4.157 -24.679 8.085 385 HG LEU 46 HG LEU 46 6.408 -26.719 8.102 386 HD11 LEU 46 HD11 LEU 46 7.790 -24.982 9.002 387 HD12 LEU 46 HD12 LEU 46 6.417 -23.889 9.173 388 HD13 LEU 46 HD13 LEU 46 7.010 -24.313 7.568 389 HD21 LEU 46 HD21 LEU 46 6.256 -26.024 10.659 390 HD22 LEU 46 HD22 LEU 46 5.203 -27.274 10.014 391 HD23 LEU 46 HD23 LEU 46 4.586 -25.637 10.238 392 H MET 47 HN MET 47 1.613 -25.338 7.846 393 HA MET 47 HA MET 47 1.175 -25.334 10.580 394 HB2 MET 47 HB2 MET 47 -0.058 -23.914 8.980 395 HB3 MET 47 HB1 MET 47 -0.924 -25.335 8.395 396 HG2 MET 47 HG2 MET 47 -2.041 -25.642 10.466 397 HG3 MET 47 HG1 MET 47 -0.939 -24.554 11.308 398 HE1 MET 47 HE1 MET 47 -1.673 -22.436 12.057 399 HE2 MET 47 HE2 MET 47 -2.210 -21.164 10.967 400 HE3 MET 47 HE3 MET 47 -0.688 -21.994 10.659 401 H HIS 48 HN HIS 48 -0.034 -27.652 8.161 402 HA HIS 48 HA HIS 48 -1.480 -29.256 10.010 403 HB2 HIS 48 HB2 HIS 48 -1.902 -29.343 7.598 404 HB3 HIS 48 HB1 HIS 48 -0.284 -29.991 7.329 405 HD2 HIS 48 HD2 HIS 48 -1.553 -32.445 6.417 406 HE1 HIS 48 HE1 HIS 48 -2.820 -33.598 10.276 407 HE2 HIS 48 HE2 HIS 48 -2.519 -34.381 7.879 408 H GLU 49 HN GLU 49 1.803 -29.468 8.676 409 HA GLU 49 HA GLU 49 2.476 -31.893 10.023 410 HB2 GLU 49 HB2 GLU 49 3.661 -31.081 8.000 411 HB3 GLU 49 HB1 GLU 49 4.318 -29.745 8.948 412 HG2 GLU 49 HG2 GLU 49 5.442 -31.318 10.446 413 HG3 GLU 49 HG1 GLU 49 4.730 -32.681 9.585 414 H LEU 50 HN LEU 50 2.422 -28.551 10.923 415 HA LEU 50 HA LEU 50 4.298 -28.576 13.022 416 HB2 LEU 50 HB2 LEU 50 3.017 -26.579 11.917 417 HB3 LEU 50 HB1 LEU 50 1.787 -26.915 13.130 418 HG LEU 50 HG LEU 50 3.857 -26.885 14.794 419 HD11 LEU 50 HD11 LEU 50 5.426 -26.604 12.764 420 HD12 LEU 50 HD12 LEU 50 5.693 -25.543 14.141 421 HD13 LEU 50 HD13 LEU 50 4.852 -24.939 12.711 422 HD21 LEU 50 HD21 LEU 50 3.586 -24.293 14.879 423 HD22 LEU 50 HD22 LEU 50 2.164 -25.290 15.160 424 HD23 LEU 50 HD23 LEU 50 2.408 -24.529 13.587 425 H MET 51 HN MET 51 0.933 -29.559 12.851 426 HA MET 51 HA MET 51 0.365 -29.779 15.590 427 HB2 MET 51 HB2 MET 51 -1.335 -29.985 13.803 428 HB3 MET 51 HB1 MET 51 -0.631 -31.529 13.325 429 HG2 MET 51 HG2 MET 51 -1.135 -32.475 15.524 430 HG3 MET 51 HG1 MET 51 -1.754 -30.918 16.076 431 HE1 MET 51 HE1 MET 51 -2.988 -34.356 14.542 432 HE2 MET 51 HE2 MET 51 -1.777 -33.565 13.535 433 HE3 MET 51 HE3 MET 51 -3.424 -33.750 12.939 434 H GLU 52 HN GLU 52 1.860 -32.084 13.337 435 HA GLU 52 HA GLU 52 2.093 -34.202 15.226 436 HB2 GLU 52 HB2 GLU 52 3.594 -33.604 12.670 437 HB3 GLU 52 HB1 GLU 52 3.796 -35.089 13.604 438 HG2 GLU 52 HG2 GLU 52 1.424 -35.616 13.341 439 HG3 GLU 52 HG1 GLU 52 1.157 -34.096 12.489 440 H LEU 53 HN LEU 53 4.288 -31.612 14.178 441 HA LEU 53 HA LEU 53 6.532 -32.434 15.682 442 HB2 LEU 53 HB2 LEU 53 6.729 -30.795 13.882 443 HB3 LEU 53 HB1 LEU 53 5.713 -29.663 14.770 444 HG LEU 53 HG LEU 53 7.385 -29.509 16.557 445 HD11 LEU 53 HD11 LEU 53 8.706 -31.708 14.974 446 HD12 LEU 53 HD12 LEU 53 8.439 -31.596 16.715 447 HD13 LEU 53 HD13 LEU 53 9.692 -30.622 15.955 448 HD21 LEU 53 HD21 LEU 53 8.493 -29.169 13.757 449 HD22 LEU 53 HD22 LEU 53 9.256 -28.511 15.205 450 HD23 LEU 53 HD23 LEU 53 7.653 -27.956 14.725 451 H ILE 54 HN ILE 54 3.850 -30.241 16.432 452 HA ILE 54 HA ILE 54 4.793 -29.384 18.938 453 HB ILE 54 HB ILE 54 2.000 -29.584 17.831 454 HG12 ILE 54 HG12 ILE 54 3.803 -27.964 16.876 455 HG13 ILE 54 HG11 ILE 54 2.231 -27.325 17.282 456 HG21 ILE 54 HG21 ILE 54 1.647 -29.620 20.169 457 HG22 ILE 54 HG22 ILE 54 1.526 -27.911 19.748 458 HG23 ILE 54 HG23 ILE 54 3.004 -28.536 20.479 459 HD11 ILE 54 HD11 ILE 54 4.390 -26.050 18.074 460 HD12 ILE 54 HD12 ILE 54 4.378 -27.235 19.374 461 HD13 ILE 54 HD13 ILE 54 2.999 -26.170 19.142 462 H ASP 55 HN ASP 55 2.775 -32.122 17.985 463 HA ASP 55 HA ASP 55 2.004 -33.014 20.498 464 HB2 ASP 55 HB2 ASP 55 1.102 -33.910 18.393 465 HB3 ASP 55 HB1 ASP 55 2.654 -34.680 18.064 466 H LEU 56 HN LEU 56 4.980 -33.541 18.690 467 HA LEU 56 HA LEU 56 6.074 -35.508 20.374 468 HB2 LEU 56 HB2 LEU 56 7.393 -33.463 18.592 469 HB3 LEU 56 HB1 LEU 56 8.265 -34.769 19.390 470 HG LEU 56 HG LEU 56 5.902 -35.198 17.535 471 HD11 LEU 56 HD11 LEU 56 7.978 -34.179 16.460 472 HD12 LEU 56 HD12 LEU 56 7.459 -35.726 15.794 473 HD13 LEU 56 HD13 LEU 56 8.826 -35.661 16.907 474 HD21 LEU 56 HD21 LEU 56 7.761 -37.004 19.068 475 HD22 LEU 56 HD22 LEU 56 7.174 -37.547 17.499 476 HD23 LEU 56 HD23 LEU 56 6.030 -37.166 18.781 477 H TYR 57 HN TYR 57 6.332 -31.969 20.419 478 HA TYR 57 HA TYR 57 8.051 -31.979 22.754 479 HB2 TYR 57 HB2 TYR 57 6.751 -29.839 21.077 480 HB3 TYR 57 HB1 TYR 57 7.505 -29.434 22.619 481 HD1 TYR 57 HD1 TYR 57 8.135 -31.009 19.298 482 HD2 TYR 57 HD2 TYR 57 9.868 -29.309 22.840 483 HE1 TYR 57 HE1 TYR 57 10.369 -31.050 18.224 484 HE2 TYR 57 HE2 TYR 57 12.102 -29.349 21.765 485 HH TYR 57 HH TYR 57 12.518 -29.959 18.412 486 H GLU 58 HN GLU 58 4.768 -30.700 22.120 487 HA GLU 58 HA GLU 58 4.022 -29.949 24.624 488 HB2 GLU 58 HB2 GLU 58 1.868 -29.889 23.829 489 HB3 GLU 58 HB1 GLU 58 2.673 -30.183 22.293 490 HG2 GLU 58 HG2 GLU 58 2.347 -32.672 22.736 491 HG3 GLU 58 HG1 GLU 58 1.312 -32.212 24.083 492 H GLU 59 HN GLU 59 4.761 -33.141 23.615 493 HA GLU 59 HA GLU 59 3.282 -34.495 25.671 494 HB2 GLU 59 HB2 GLU 59 4.043 -35.545 23.523 495 HB3 GLU 59 HB1 GLU 59 5.690 -35.495 24.147 496 HG2 GLU 59 HG2 GLU 59 4.806 -37.679 24.637 497 HG3 GLU 59 HG1 GLU 59 4.871 -36.790 26.157 498 H SER 60 HN SER 60 6.750 -33.736 25.241 499 HA SER 60 HA SER 60 7.298 -34.409 28.042 500 HB2 SER 60 HB2 SER 60 9.634 -34.181 27.416 501 HB3 SER 60 HB1 SER 60 8.795 -35.216 26.265 502 HG SER 60 HG SER 60 8.775 -33.579 24.805 503 H GLN 61 HN GLN 61 6.590 -31.614 26.204 504 HA GLN 61 HA GLN 61 8.187 -29.694 27.531 505 HB2 GLN 61 HB2 GLN 61 6.365 -29.679 25.413 506 HB3 GLN 61 HB1 GLN 61 5.603 -28.643 26.607 507 HG2 GLN 61 HG2 GLN 61 8.416 -28.361 25.513 508 HG3 GLN 61 HG1 GLN 61 7.043 -27.321 25.139 509 HE21 GLN 61 HE21 GLN 61 9.706 -26.785 26.614 510 HE22 GLN 61 HE22 GLN 61 9.221 -26.054 28.067 511 HA PRO 62 HA PRO 62 4.740 -29.212 30.697 512 HB2 PRO 62 HB2 PRO 62 2.404 -30.558 30.396 513 HB3 PRO 62 HB1 PRO 62 2.797 -29.126 29.424 514 HG2 PRO 62 HG2 PRO 62 2.654 -31.941 28.600 515 HG3 PRO 62 HG1 PRO 62 2.617 -30.467 27.611 516 HD2 PRO 62 HD2 PRO 62 4.914 -32.213 28.188 517 HD3 PRO 62 HD1 PRO 62 4.796 -30.872 27.028 518 H SER 63 HN SER 63 6.167 -30.296 32.056 519 HA SER 63 HA SER 63 5.901 -33.115 32.660 520 HB2 SER 63 HB2 SER 63 7.746 -32.735 34.169 521 HB3 SER 63 HB1 SER 63 8.089 -31.865 32.677 522 HG SER 63 HG SER 63 7.244 -29.985 33.706 523 H SER 64 HN SER 64 4.299 -30.292 33.529 524 HA SER 64 HA SER 64 3.450 -31.394 36.151 525 HB2 SER 64 HB2 SER 64 4.404 -29.265 36.549 526 HB3 SER 64 HB1 SER 64 3.636 -28.563 35.128 527 HG SER 64 HG SER 64 2.250 -27.966 36.635 528 H GLU 65 HN GLU 65 2.467 -31.893 33.304 529 HA GLU 65 HA GLU 65 0.447 -32.374 32.330 530 HB2 GLU 65 HB2 GLU 65 -0.053 -33.051 34.782 531 HB3 GLU 65 HB1 GLU 65 -0.940 -31.531 34.871 532 HG2 GLU 65 HG2 GLU 65 -2.349 -32.212 32.980 533 HG3 GLU 65 HG1 GLU 65 -1.433 -33.707 32.817 534 H ARG 66 HN ARG 66 1.633 -29.773 32.117 535 HA ARG 66 HA ARG 66 -0.503 -27.818 32.274 536 HB2 ARG 66 HB2 ARG 66 1.967 -27.328 32.667 537 HB3 ARG 66 HB1 ARG 66 2.166 -27.451 30.921 538 HG2 ARG 66 HG2 ARG 66 0.533 -25.670 30.567 539 HG3 ARG 66 HG1 ARG 66 0.211 -25.587 32.299 540 HD2 ARG 66 HD2 ARG 66 2.902 -25.061 31.015 541 HD3 ARG 66 HD1 ARG 66 1.778 -23.811 31.541 542 HE ARG 66 HE ARG 66 3.444 -25.474 33.244 543 HH11 ARG 66 HH21 ARG 66 0.664 -23.429 32.956 544 HH12 ARG 66 HH22 ARG 66 0.609 -23.037 34.642 545 HH21 ARG 66 HH11 ARG 66 3.370 -24.969 35.454 546 HH22 ARG 66 HH12 ARG 66 2.141 -23.909 36.058 547 H LEU 67 HN LEU 67 0.484 -30.166 30.023 548 HA LEU 67 HA LEU 67 0.240 -29.150 27.527 549 HB2 LEU 67 HB2 LEU 67 -0.994 -31.261 26.893 550 HB3 LEU 67 HB1 LEU 67 0.529 -31.494 27.729 551 HG LEU 67 HG LEU 67 -1.659 -31.255 29.669 552 HD11 LEU 67 HD11 LEU 67 -1.893 -33.524 27.676 553 HD12 LEU 67 HD12 LEU 67 -3.015 -32.172 27.811 554 HD13 LEU 67 HD13 LEU 67 -2.852 -33.320 29.142 555 HD21 LEU 67 HD21 LEU 67 0.120 -33.622 29.011 556 HD22 LEU 67 HD22 LEU 67 -0.703 -33.303 30.537 557 HD23 LEU 67 HD23 LEU 67 0.626 -32.263 30.015 558 H ASN 68 HN ASN 68 -2.201 -29.116 29.948 559 HA ASN 68 HA ASN 68 -4.544 -29.001 28.424 560 HB2 ASN 68 HB2 ASN 68 -5.347 -27.516 30.381 561 HB3 ASN 68 HB1 ASN 68 -4.823 -29.156 30.758 562 HD21 ASN 68 HD21 ASN 68 -3.902 -28.871 32.837 563 HD22 ASN 68 HD22 ASN 68 -2.633 -27.792 33.162 564 H ALA 69 HN ALA 69 -2.252 -26.446 29.338 565 HA ALA 69 HA ALA 69 -3.702 -24.327 28.078 566 HB1 ALA 69 HB1 ALA 69 -1.480 -23.119 28.276 567 HB2 ALA 69 HB2 ALA 69 -0.839 -24.595 28.999 568 HB3 ALA 69 HB3 ALA 69 -2.153 -23.724 29.790 569 H PHE 70 HN PHE 70 -1.077 -26.482 27.097 570 HA PHE 70 HA PHE 70 -0.481 -25.226 24.633 571 HB2 PHE 70 HB2 PHE 70 -0.119 -28.074 25.554 572 HB3 PHE 70 HB1 PHE 70 0.491 -27.462 24.023 573 HD1 PHE 70 HD2 PHE 70 0.612 -26.869 27.713 574 HD2 PHE 70 HD1 PHE 70 2.529 -26.268 23.916 575 HE1 PHE 70 HE2 PHE 70 2.602 -25.944 28.864 576 HE2 PHE 70 HE1 PHE 70 4.517 -25.337 25.068 577 HZ PHE 70 HZ PHE 70 4.554 -25.176 27.543 578 H ARG 71 HN ARG 71 -2.853 -27.648 25.584 579 HA ARG 71 HA ARG 71 -3.647 -28.671 23.167 580 HB2 ARG 71 HB2 ARG 71 -4.654 -29.451 25.199 581 HB3 ARG 71 HB1 ARG 71 -5.363 -27.870 25.519 582 HG2 ARG 71 HG2 ARG 71 -6.802 -28.080 23.551 583 HG3 ARG 71 HG1 ARG 71 -6.022 -29.603 23.118 584 HD2 ARG 71 HD2 ARG 71 -8.120 -30.081 24.250 585 HD3 ARG 71 HD1 ARG 71 -6.781 -30.558 25.292 586 HE ARG 71 HE ARG 71 -7.366 -28.842 26.772 587 HH11 ARG 71 HH21 ARG 71 -9.065 -28.590 23.769 588 HH12 ARG 71 HH22 ARG 71 -10.188 -27.402 24.344 589 HH21 ARG 71 HH11 ARG 71 -8.839 -27.287 27.536 590 HH22 ARG 71 HH12 ARG 71 -10.060 -26.666 26.476 591 H GLU 72 HN GLU 72 -3.954 -25.435 24.326 592 HA GLU 72 HA GLU 72 -6.068 -24.547 22.664 593 HB2 GLU 72 HB2 GLU 72 -3.713 -23.081 23.875 594 HB3 GLU 72 HB1 GLU 72 -5.036 -22.280 23.026 595 HG2 GLU 72 HG2 GLU 72 -5.434 -24.116 25.398 596 HG3 GLU 72 HG1 GLU 72 -5.320 -22.360 25.529 597 H LEU 73 HN LEU 73 -2.536 -24.495 22.274 598 HA LEU 73 HA LEU 73 -2.540 -23.334 19.693 599 HB2 LEU 73 HB2 LEU 73 -0.599 -23.777 21.472 600 HB3 LEU 73 HB1 LEU 73 -0.371 -25.238 20.524 601 HG LEU 73 HG LEU 73 1.070 -23.514 19.625 602 HD11 LEU 73 HD11 LEU 73 0.483 -23.657 17.353 603 HD12 LEU 73 HD12 LEU 73 -1.241 -23.572 17.693 604 HD13 LEU 73 HD13 LEU 73 -0.342 -25.042 18.066 605 HD21 LEU 73 HD21 LEU 73 0.491 -21.317 19.359 606 HD22 LEU 73 HD22 LEU 73 -0.794 -21.693 20.493 607 HD23 LEU 73 HD23 LEU 73 -1.121 -21.688 18.763 608 H ARG 74 HN ARG 74 -2.571 -26.672 20.846 609 HA ARG 74 HA ARG 74 -2.319 -27.941 18.338 610 HB2 ARG 74 HB2 ARG 74 -1.952 -29.192 20.383 611 HB3 ARG 74 HB1 ARG 74 -3.606 -28.880 20.903 612 HG2 ARG 74 HG2 ARG 74 -4.524 -30.220 19.183 613 HG3 ARG 74 HG1 ARG 74 -2.984 -30.312 18.324 614 HD2 ARG 74 HD2 ARG 74 -3.373 -32.405 19.505 615 HD3 ARG 74 HD1 ARG 74 -2.031 -31.555 20.264 616 HE ARG 74 HE ARG 74 -4.487 -30.880 21.540 617 HH11 ARG 74 HH21 ARG 74 -2.140 -33.390 21.152 618 HH12 ARG 74 HH22 ARG 74 -2.436 -34.100 22.704 619 HH21 ARG 74 HH11 ARG 74 -4.884 -31.804 23.579 620 HH22 ARG 74 HH12 ARG 74 -3.991 -33.201 24.079 621 H THR 75 HN THR 75 -5.097 -26.872 20.221 622 HA THR 75 HA THR 75 -7.106 -27.894 18.549 623 HB THR 75 HB THR 75 -7.107 -25.490 20.313 624 HG1 THR 75 HG1 THR 75 -7.900 -28.176 20.664 625 HG21 THR 75 HG21 THR 75 -9.618 -25.949 20.276 626 HG22 THR 75 HG22 THR 75 -9.295 -26.939 18.854 627 HG23 THR 75 HG23 THR 75 -8.925 -25.215 18.832 628 H GLN 76 HN GLN 76 -5.422 -24.778 18.583 629 HA GLN 76 HA GLN 76 -6.864 -23.531 16.512 630 HB2 GLN 76 HB2 GLN 76 -4.126 -23.184 17.701 631 HB3 GLN 76 HB1 GLN 76 -4.507 -22.332 16.204 632 HG2 GLN 76 HG2 GLN 76 -4.988 -20.996 18.271 633 HG3 GLN 76 HG1 GLN 76 -6.397 -21.231 17.241 634 HE21 GLN 76 HE21 GLN 76 -5.467 -21.324 20.439 635 HE22 GLN 76 HE22 GLN 76 -6.625 -22.416 21.029 636 H LEU 77 HN LEU 77 -4.012 -25.639 16.445 637 HA LEU 77 HA LEU 77 -3.511 -25.451 13.669 638 HB2 LEU 77 HB2 LEU 77 -2.918 -27.628 15.681 639 HB3 LEU 77 HB1 LEU 77 -2.362 -27.681 14.012 640 HG LEU 77 HG LEU 77 -1.750 -25.413 15.940 641 HD11 LEU 77 HD11 LEU 77 0.161 -27.542 14.990 642 HD12 LEU 77 HD12 LEU 77 -0.737 -27.688 16.502 643 HD13 LEU 77 HD13 LEU 77 0.395 -26.359 16.271 644 HD21 LEU 77 HD21 LEU 77 -1.459 -24.465 13.829 645 HD22 LEU 77 HD22 LEU 77 -1.066 -26.009 13.075 646 HD23 LEU 77 HD23 LEU 77 0.129 -25.181 14.057 647 H GLU 78 HN GLU 78 -5.508 -27.653 15.590 648 HA GLU 78 HA GLU 78 -6.309 -29.284 13.397 649 HB2 GLU 78 HB2 GLU 78 -6.435 -29.908 15.844 650 HB3 GLU 78 HB1 GLU 78 -7.819 -28.825 15.979 651 HG2 GLU 78 HG2 GLU 78 -7.712 -31.051 13.933 652 HG3 GLU 78 HG1 GLU 78 -8.348 -31.296 15.555 653 H LYS 79 HN LYS 79 -7.682 -26.425 14.969 654 HA LYS 79 HA LYS 79 -10.126 -26.382 13.530 655 HB2 LYS 79 HB2 LYS 79 -9.709 -25.130 15.637 656 HB3 LYS 79 HB1 LYS 79 -8.619 -24.060 14.758 657 HG2 LYS 79 HG2 LYS 79 -10.467 -23.423 13.242 658 HG3 LYS 79 HG1 LYS 79 -11.559 -24.481 14.130 659 HD2 LYS 79 HD2 LYS 79 -10.028 -22.249 15.480 660 HD3 LYS 79 HD1 LYS 79 -11.609 -21.987 14.748 661 HE2 LYS 79 HE2 LYS 79 -12.451 -23.920 16.200 662 HE3 LYS 79 HE1 LYS 79 -10.919 -23.808 17.066 663 HZ1 LYS 79 HZ1 LYS 79 -12.210 -22.396 18.276 664 HZ2 LYS 79 HZ2 LYS 79 -13.125 -21.885 16.938 665 HZ3 LYS 79 HZ3 LYS 79 -11.544 -21.303 17.164 666 H ALA 80 HN ALA 80 -6.987 -24.808 13.055 667 HA ALA 80 HA ALA 80 -7.706 -23.343 10.759 668 HB1 ALA 80 HB1 ALA 80 -5.243 -23.247 10.330 669 HB2 ALA 80 HB2 ALA 80 -5.011 -24.359 11.680 670 HB3 ALA 80 HB3 ALA 80 -5.698 -22.759 11.962 671 H LEU 81 HN LEU 81 -6.994 -26.662 11.274 672 HA LEU 81 HA LEU 81 -6.047 -27.405 8.738 673 HB2 LEU 81 HB2 LEU 81 -6.396 -28.746 11.037 674 HB3 LEU 81 HB1 LEU 81 -7.865 -29.267 10.224 675 HG LEU 81 HG LEU 81 -6.122 -30.869 9.731 676 HD11 LEU 81 HD11 LEU 81 -6.253 -29.194 7.228 677 HD12 LEU 81 HD12 LEU 81 -7.704 -29.972 7.865 678 HD13 LEU 81 HD13 LEU 81 -6.319 -30.948 7.390 679 HD21 LEU 81 HD21 LEU 81 -4.345 -29.021 8.230 680 HD22 LEU 81 HD22 LEU 81 -3.940 -30.343 9.314 681 HD23 LEU 81 HD23 LEU 81 -4.340 -28.767 9.973 682 H GLY 82 HN GLY 82 -9.325 -26.943 9.978 683 HA2 GLY 82 HA2 GLY 82 -10.714 -27.966 7.727 684 HA3 GLY 82 HA1 GLY 82 -11.367 -26.837 8.912 685 H LEU 83 HN LEU 83 -8.506 -25.638 7.671 686 HA LEU 83 HA LEU 83 -7.984 -23.902 6.272 687 HB2 LEU 83 HB2 LEU 83 -10.291 -24.923 4.601 688 HB3 LEU 83 HB1 LEU 83 -8.928 -23.951 4.050 689 HG LEU 83 HG LEU 83 -8.729 -26.752 5.197 690 HD11 LEU 83 HD11 LEU 83 -8.459 -25.726 2.357 691 HD12 LEU 83 HD12 LEU 83 -9.756 -26.750 2.975 692 HD13 LEU 83 HD13 LEU 83 -8.109 -27.374 2.874 693 HD21 LEU 83 HD21 LEU 83 -6.666 -25.716 5.693 694 HD22 LEU 83 HD22 LEU 83 -6.696 -24.742 4.223 695 HD23 LEU 83 HD23 LEU 83 -6.356 -26.469 4.130 696 H GLU 84 HN GLU 84 -9.731 -23.380 8.445 697 HA GLU 84 HA GLU 84 -11.951 -21.778 7.659 698 HB2 GLU 84 HB2 GLU 84 -10.329 -21.812 10.218 699 HB3 GLU 84 HB1 GLU 84 -11.851 -20.947 10.006 700 HG2 GLU 84 HG2 GLU 84 -11.515 -23.932 9.602 701 HG3 GLU 84 HG1 GLU 84 -12.137 -23.193 11.076 702 H HIS 85 HN HIS 85 -12.070 -19.654 7.142 703 HA HIS 85 HA HIS 85 -9.570 -18.247 6.625 704 HB2 HIS 85 HB2 HIS 85 -12.456 -17.516 6.077 705 HB3 HIS 85 HB1 HIS 85 -11.063 -16.559 5.573 706 HD2 HIS 85 HD2 HIS 85 -13.108 -19.543 4.298 707 HE1 HIS 85 HE1 HIS 85 -9.522 -19.534 2.070 708 HE2 HIS 85 HE2 HIS 85 -11.850 -20.536 2.237 709 H HIS 86 HN HIS 86 -8.648 -17.133 8.215 710 HA HIS 86 HA HIS 86 -10.279 -15.993 10.374 711 HB2 HIS 86 HB2 HIS 86 -7.309 -16.398 10.005 712 HB3 HIS 86 HB1 HIS 86 -7.985 -15.481 11.351 713 HD2 HIS 86 HD2 HIS 86 -9.184 -17.044 13.365 714 HE1 HIS 86 HE1 HIS 86 -8.551 -20.792 11.528 715 HE2 HIS 86 HE2 HIS 86 -9.323 -19.635 13.653 716 H HIS 87 HN HIS 87 -8.843 -15.044 7.440 717 HA HIS 87 HA HIS 87 -9.492 -12.252 7.976 718 HB2 HIS 87 HB2 HIS 87 -7.157 -12.379 8.707 719 HB3 HIS 87 HB1 HIS 87 -6.699 -13.094 7.160 720 HD2 HIS 87 HD2 HIS 87 -6.078 -11.210 5.227 721 HE1 HIS 87 HE1 HIS 87 -7.852 -7.857 7.079 722 HE2 HIS 87 HE2 HIS 87 -6.465 -8.630 5.098 723 H HIS 88 HN HIS 88 -7.295 -13.438 5.489 724 HA HIS 88 HA HIS 88 -7.450 -13.240 3.191 725 HB2 HIS 88 HB2 HIS 88 -8.569 -15.389 3.586 726 HB3 HIS 88 HB1 HIS 88 -10.107 -14.555 3.814 727 HD2 HIS 88 HD2 HIS 88 -11.522 -14.270 1.462 728 HE1 HIS 88 HE1 HIS 88 -8.316 -14.787 -1.237 729 HE2 HIS 88 HE2 HIS 88 -10.826 -14.444 -1.049 730 H HIS 89 HN HIS 89 -10.737 -13.181 2.706 731 HA HIS 89 HA HIS 89 -11.943 -11.563 1.522 732 HB2 HIS 89 HB2 HIS 89 -11.578 -10.416 4.294 733 HB3 HIS 89 HB1 HIS 89 -12.799 -9.881 3.142 734 HD2 HIS 89 HD2 HIS 89 -12.610 -12.350 5.959 735 HE1 HIS 89 HE1 HIS 89 -15.485 -13.966 3.324 736 HE2 HIS 89 HE2 HIS 89 -14.509 -14.117 5.665 737 H HIS 90 HN HIS 90 -10.258 -10.894 0.001 738 HA HIS 90 HA HIS 90 -9.807 -8.050 0.156 739 HB2 HIS 90 HB2 HIS 90 -7.895 -8.951 1.489 740 HB3 HIS 90 HB1 HIS 90 -7.374 -9.846 0.061 741 HD2 HIS 90 HD2 HIS 90 -7.730 -6.064 1.187 742 HE1 HIS 90 HE1 HIS 90 -5.283 -6.228 -2.249 743 HE2 HIS 90 HE2 HIS 90 -6.215 -4.703 -0.446 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -5.995 -17.587 24.033 2 H2 MET 1 HT2 MET 1 -7.578 -17.676 23.423 3 H3 MET 1 HT3 MET 1 -7.317 -17.448 25.086 4 HA MET 1 HA MET 1 -7.866 -15.333 24.370 5 HB2 MET 1 HB2 MET 1 -4.852 -15.653 24.271 6 HB3 MET 1 HB1 MET 1 -5.672 -14.093 24.355 7 HG2 MET 1 HG2 MET 1 -6.751 -14.764 26.467 8 HG3 MET 1 HG1 MET 1 -5.952 -16.333 26.378 9 HE1 MET 1 HE1 MET 1 -5.720 -12.685 26.300 10 HE2 MET 1 HE2 MET 1 -4.126 -12.645 25.553 11 HE3 MET 1 HE3 MET 1 -4.305 -12.215 27.252 12 H GLY 2 HN GLY 2 -5.087 -16.162 22.289 13 HA2 GLY 2 HA2 GLY 2 -6.531 -15.944 19.846 14 HA3 GLY 2 HA1 GLY 2 -5.673 -14.445 20.189 15 H VAL 3 HN VAL 3 -4.800 -15.438 17.996 16 HA VAL 3 HA VAL 3 -2.916 -17.542 18.085 17 HB VAL 3 HB VAL 3 -3.879 -16.664 15.983 18 HG11 VAL 3 HG11 VAL 3 -3.140 -14.542 15.076 19 HG12 VAL 3 HG12 VAL 3 -2.047 -14.291 16.438 20 HG13 VAL 3 HG13 VAL 3 -3.793 -14.254 16.688 21 HG21 VAL 3 HG21 VAL 3 -1.579 -17.838 16.177 22 HG22 VAL 3 HG22 VAL 3 -0.885 -16.234 15.939 23 HG23 VAL 3 HG23 VAL 3 -1.906 -16.947 14.691 24 H TRP 4 HN TRP 4 -2.827 -14.383 19.322 25 HA TRP 4 HA TRP 4 -0.000 -13.936 19.124 26 HB2 TRP 4 HB2 TRP 4 -2.098 -12.687 20.913 27 HB3 TRP 4 HB1 TRP 4 -0.446 -12.097 20.718 28 HD1 TRP 4 HD1 TRP 4 -3.608 -12.753 18.615 29 HE1 TRP 4 HE1 TRP 4 -3.611 -11.116 16.623 30 HE3 TRP 4 HE3 TRP 4 0.912 -10.485 19.329 31 HZ2 TRP 4 HZ2 TRP 4 -1.922 -9.108 15.486 32 HZ3 TRP 4 HZ3 TRP 4 1.687 -8.712 17.781 33 HH2 TRP 4 HH2 TRP 4 0.277 -8.021 15.861 34 H THR 5 HN THR 5 1.539 -14.810 20.314 35 HA THR 5 HA THR 5 1.312 -15.252 23.120 36 HB THR 5 HB THR 5 1.650 -17.795 21.533 37 HG1 THR 5 HG1 THR 5 -0.390 -17.723 21.135 38 HG21 THR 5 HG21 THR 5 1.263 -18.862 23.622 39 HG22 THR 5 HG22 THR 5 0.646 -17.378 24.349 40 HG23 THR 5 HG23 THR 5 2.362 -17.528 23.974 41 HA PRO 6 HA PRO 6 5.512 -15.060 20.794 42 HB2 PRO 6 HB2 PRO 6 6.171 -12.491 21.591 43 HB3 PRO 6 HB1 PRO 6 5.352 -12.871 20.063 44 HG2 PRO 6 HG2 PRO 6 4.167 -11.974 22.659 45 HG3 PRO 6 HG1 PRO 6 3.815 -11.417 21.012 46 HD2 PRO 6 HD2 PRO 6 2.184 -13.160 22.236 47 HD3 PRO 6 HD1 PRO 6 2.540 -13.316 20.498 48 H GLU 7 HN GLU 7 7.650 -14.328 21.974 49 HA GLU 7 HA GLU 7 8.088 -15.846 24.211 50 HB2 GLU 7 HB2 GLU 7 10.053 -14.379 24.659 51 HB3 GLU 7 HB1 GLU 7 9.930 -14.875 22.971 52 HG2 GLU 7 HG2 GLU 7 8.847 -12.731 22.415 53 HG3 GLU 7 HG1 GLU 7 8.967 -12.232 24.102 54 H VAL 8 HN VAL 8 6.307 -12.944 24.028 55 HA VAL 8 HA VAL 8 6.674 -11.740 26.499 56 HB VAL 8 HB VAL 8 4.086 -12.160 24.985 57 HG11 VAL 8 HG11 VAL 8 4.847 -10.304 27.249 58 HG12 VAL 8 HG12 VAL 8 3.530 -11.477 27.208 59 HG13 VAL 8 HG13 VAL 8 3.447 -10.024 26.211 60 HG21 VAL 8 HG21 VAL 8 4.545 -10.042 23.945 61 HG22 VAL 8 HG22 VAL 8 5.997 -11.026 23.765 62 HG23 VAL 8 HG23 VAL 8 5.936 -9.761 24.993 63 H LEU 9 HN LEU 9 4.441 -14.400 25.652 64 HA LEU 9 HA LEU 9 3.454 -14.770 28.282 65 HB2 LEU 9 HB2 LEU 9 2.275 -15.672 26.321 66 HB3 LEU 9 HB1 LEU 9 3.631 -16.749 25.990 67 HG LEU 9 HG LEU 9 3.279 -17.890 28.143 68 HD11 LEU 9 HD11 LEU 9 1.236 -15.711 28.505 69 HD12 LEU 9 HD12 LEU 9 2.413 -16.341 29.656 70 HD13 LEU 9 HD13 LEU 9 0.973 -17.279 29.269 71 HD21 LEU 9 HD21 LEU 9 1.260 -19.053 27.553 72 HD22 LEU 9 HD22 LEU 9 2.026 -18.554 26.049 73 HD23 LEU 9 HD23 LEU 9 0.643 -17.656 26.671 74 H LYS 10 HN LYS 10 6.082 -16.286 26.457 75 HA LYS 10 HA LYS 10 6.823 -18.190 28.403 76 HB2 LYS 10 HB2 LYS 10 7.561 -18.215 26.024 77 HB3 LYS 10 HB1 LYS 10 8.607 -16.838 26.363 78 HG2 LYS 10 HG2 LYS 10 9.787 -18.157 28.091 79 HG3 LYS 10 HG1 LYS 10 8.762 -19.544 27.726 80 HD2 LYS 10 HD2 LYS 10 10.441 -18.181 25.612 81 HD3 LYS 10 HD1 LYS 10 11.074 -19.488 26.608 82 HE2 LYS 10 HE2 LYS 10 9.058 -20.867 25.841 83 HE3 LYS 10 HE1 LYS 10 8.774 -19.603 24.644 84 HZ1 LYS 10 HZ1 LYS 10 10.905 -19.964 23.700 85 HZ2 LYS 10 HZ2 LYS 10 10.162 -21.485 23.843 86 HZ3 LYS 10 HZ3 LYS 10 11.363 -21.014 24.949 87 H ALA 11 HN ALA 11 7.753 -14.831 27.885 88 HA ALA 11 HA ALA 11 9.866 -14.724 29.752 89 HB1 ALA 11 HB1 ALA 11 7.968 -12.558 28.815 90 HB2 ALA 11 HB2 ALA 11 9.536 -12.952 28.109 91 HB3 ALA 11 HB3 ALA 11 9.445 -12.271 29.734 92 H ARG 12 HN ARG 12 6.378 -14.167 30.051 93 HA ARG 12 HA ARG 12 6.438 -13.347 32.768 94 HB2 ARG 12 HB2 ARG 12 4.516 -12.916 31.268 95 HB3 ARG 12 HB1 ARG 12 4.188 -14.646 31.208 96 HG2 ARG 12 HG2 ARG 12 2.717 -13.566 32.846 97 HG3 ARG 12 HG1 ARG 12 3.832 -14.653 33.669 98 HD2 ARG 12 HD2 ARG 12 5.074 -12.897 34.579 99 HD3 ARG 12 HD1 ARG 12 4.584 -11.761 33.324 100 HE ARG 12 HE ARG 12 2.359 -12.616 34.922 101 HH11 ARG 12 HH21 ARG 12 5.119 -10.547 34.765 102 HH12 ARG 12 HH22 ARG 12 4.473 -9.364 35.853 103 HH21 ARG 12 HH11 ARG 12 1.496 -11.076 36.354 104 HH22 ARG 12 HH12 ARG 12 2.417 -9.665 36.755 105 H ALA 13 HN ALA 13 5.860 -16.478 31.193 106 HA ALA 13 HA ALA 13 5.450 -17.926 33.612 107 HB1 ALA 13 HB1 ALA 13 5.968 -19.922 32.102 108 HB2 ALA 13 HB2 ALA 13 6.155 -18.752 30.795 109 HB3 ALA 13 HB3 ALA 13 4.606 -18.908 31.623 110 H SER 14 HN SER 14 8.251 -17.269 31.584 111 HA SER 14 HA SER 14 10.034 -18.845 33.266 112 HB2 SER 14 HB2 SER 14 10.619 -17.058 30.892 113 HB3 SER 14 HB1 SER 14 11.761 -18.155 31.667 114 HG SER 14 HG SER 14 10.395 -18.829 29.706 115 H VAL 15 HN VAL 15 8.653 -15.841 33.429 116 HA VAL 15 HA VAL 15 9.058 -13.965 34.687 117 HB VAL 15 HB VAL 15 11.290 -15.533 35.985 118 HG11 VAL 15 HG11 VAL 15 10.962 -13.060 36.465 119 HG12 VAL 15 HG12 VAL 15 10.859 -14.118 37.872 120 HG13 VAL 15 HG13 VAL 15 9.387 -13.482 37.137 121 HG21 VAL 15 HG21 VAL 15 9.492 -16.259 37.598 122 HG22 VAL 15 HG22 VAL 15 9.338 -16.971 35.991 123 HG23 VAL 15 HG23 VAL 15 8.298 -15.628 36.465 124 H ILE 16 HN ILE 16 12.353 -15.298 34.472 125 HA ILE 16 HA ILE 16 13.257 -12.745 33.292 126 HB ILE 16 HB ILE 16 15.550 -13.687 33.897 127 HG12 ILE 16 HG12 ILE 16 13.818 -15.612 35.485 128 HG13 ILE 16 HG11 ILE 16 14.805 -16.057 34.092 129 HG21 ILE 16 HG21 ILE 16 15.313 -13.031 36.238 130 HG22 ILE 16 HG22 ILE 16 13.571 -13.290 36.162 131 HG23 ILE 16 HG23 ILE 16 14.309 -11.982 35.237 132 HD11 ILE 16 HD11 ILE 16 15.722 -15.101 36.806 133 HD12 ILE 16 HD12 ILE 16 16.783 -15.031 35.400 134 HD13 ILE 16 HD13 ILE 16 16.164 -16.584 35.961 135 H GLY 17 HN GLY 17 13.900 -12.626 31.251 136 HA2 GLY 17 HA2 GLY 17 13.715 -14.956 29.542 137 HA3 GLY 17 HA1 GLY 17 14.051 -13.303 29.032 138 H LYS 18 HN LYS 18 15.381 -16.033 28.548 139 HA LYS 18 HA LYS 18 18.115 -15.030 28.878 140 HB2 LYS 18 HB2 LYS 18 18.028 -17.912 29.453 141 HB3 LYS 18 HB1 LYS 18 18.807 -16.617 30.357 142 HG2 LYS 18 HG2 LYS 18 16.664 -16.067 31.444 143 HG3 LYS 18 HG1 LYS 18 15.852 -17.306 30.491 144 HD2 LYS 18 HD2 LYS 18 16.265 -18.386 32.550 145 HD3 LYS 18 HD1 LYS 18 17.564 -18.958 31.508 146 HE2 LYS 18 HE2 LYS 18 18.324 -18.258 33.806 147 HE3 LYS 18 HE1 LYS 18 19.132 -17.396 32.500 148 HZ1 LYS 18 HZ1 LYS 18 18.054 -15.474 32.977 149 HZ2 LYS 18 HZ2 LYS 18 18.068 -16.148 34.536 150 HZ3 LYS 18 HZ3 LYS 18 16.670 -16.250 33.576 151 HA PRO 19 HA PRO 19 19.061 -16.810 24.962 152 HB2 PRO 19 HB2 PRO 19 20.977 -18.803 26.104 153 HB3 PRO 19 HB1 PRO 19 21.263 -17.528 24.902 154 HG2 PRO 19 HG2 PRO 19 22.156 -17.295 27.400 155 HG3 PRO 19 HG1 PRO 19 21.534 -15.893 26.511 156 HD2 PRO 19 HD2 PRO 19 20.193 -17.500 28.670 157 HD3 PRO 19 HD1 PRO 19 20.162 -15.747 28.377 158 H ILE 20 HN ILE 20 17.553 -18.019 23.956 159 HA ILE 20 HA ILE 20 16.628 -20.537 25.117 160 HB ILE 20 HB ILE 20 15.743 -19.059 22.621 161 HG12 ILE 20 HG12 ILE 20 14.416 -19.309 25.342 162 HG13 ILE 20 HG11 ILE 20 15.356 -17.903 24.828 163 HG21 ILE 20 HG21 ILE 20 14.579 -21.446 24.097 164 HG22 ILE 20 HG22 ILE 20 15.249 -21.453 22.466 165 HG23 ILE 20 HG23 ILE 20 13.760 -20.577 22.800 166 HD11 ILE 20 HD11 ILE 20 12.767 -18.934 23.648 167 HD12 ILE 20 HD12 ILE 20 13.797 -17.780 22.799 168 HD13 ILE 20 HD13 ILE 20 13.086 -17.350 24.354 169 H GLY 21 HN GLY 21 17.226 -22.505 24.431 170 HA2 GLY 21 HA2 GLY 21 19.452 -22.910 22.775 171 HA3 GLY 21 HA1 GLY 21 18.295 -24.158 23.235 172 H GLU 22 HN GLU 22 19.618 -23.793 20.655 173 HA GLU 22 HA GLU 22 18.061 -22.594 18.691 174 HB2 GLU 22 HB2 GLU 22 20.294 -23.587 18.291 175 HB3 GLU 22 HB1 GLU 22 19.597 -25.196 18.468 176 HG2 GLU 22 HG2 GLU 22 18.123 -24.797 16.549 177 HG3 GLU 22 HG1 GLU 22 18.744 -23.154 16.394 178 H SER 23 HN SER 23 17.821 -25.891 20.009 179 HA SER 23 HA SER 23 15.664 -26.728 18.392 180 HB2 SER 23 HB2 SER 23 17.058 -28.300 19.669 181 HB3 SER 23 HB1 SER 23 16.425 -27.643 21.176 182 HG SER 23 HG SER 23 14.293 -28.196 20.206 183 H TYR 24 HN TYR 24 15.763 -25.174 21.588 184 HA TYR 24 HA TYR 24 12.894 -25.211 21.881 185 HB2 TYR 24 HB2 TYR 24 15.046 -23.748 23.432 186 HB3 TYR 24 HB1 TYR 24 13.344 -23.828 23.890 187 HD1 TYR 24 HD2 TYR 24 12.295 -26.053 24.409 188 HD2 TYR 24 HD1 TYR 24 16.527 -25.586 23.831 189 HE1 TYR 24 HE2 TYR 24 12.687 -28.242 25.506 190 HE2 TYR 24 HE1 TYR 24 16.918 -27.777 24.928 191 HH TYR 24 HH TYR 24 15.959 -29.619 25.745 192 H LYS 25 HN LYS 25 15.073 -23.338 20.135 193 HA LYS 25 HA LYS 25 13.474 -20.879 20.253 194 HB2 LYS 25 HB2 LYS 25 15.973 -20.778 20.265 195 HB3 LYS 25 HB1 LYS 25 15.969 -21.473 18.643 196 HG2 LYS 25 HG2 LYS 25 14.683 -19.585 17.792 197 HG3 LYS 25 HG1 LYS 25 14.551 -18.907 19.414 198 HD2 LYS 25 HD2 LYS 25 17.014 -18.688 19.516 199 HD3 LYS 25 HD1 LYS 25 17.130 -19.338 17.879 200 HE2 LYS 25 HE2 LYS 25 15.817 -17.460 17.010 201 HE3 LYS 25 HE1 LYS 25 15.614 -16.824 18.643 202 HZ1 LYS 25 HZ1 LYS 25 17.850 -16.601 16.869 203 HZ2 LYS 25 HZ2 LYS 25 18.301 -17.167 18.406 204 HZ3 LYS 25 HZ3 LYS 25 17.471 -15.693 18.251 205 H ARG 26 HN ARG 26 13.861 -23.717 18.344 206 HA ARG 26 HA ARG 26 12.998 -22.692 15.837 207 HB2 ARG 26 HB2 ARG 26 14.188 -24.854 16.086 208 HB3 ARG 26 HB1 ARG 26 12.775 -25.514 16.911 209 HG2 ARG 26 HG2 ARG 26 11.395 -25.086 14.905 210 HG3 ARG 26 HG1 ARG 26 12.805 -24.422 14.078 211 HD2 ARG 26 HD2 ARG 26 12.659 -27.239 15.181 212 HD3 ARG 26 HD1 ARG 26 12.323 -26.822 13.503 213 HE ARG 26 HE ARG 26 14.847 -25.774 14.199 214 HH11 ARG 26 HH21 ARG 26 13.209 -28.789 13.745 215 HH12 ARG 26 HH22 ARG 26 14.631 -29.644 13.249 216 HH21 ARG 26 HH11 ARG 26 16.716 -26.891 13.552 217 HH22 ARG 26 HH12 ARG 26 16.616 -28.571 13.138 218 H ILE 27 HN ILE 27 11.320 -24.193 18.580 219 HA ILE 27 HA ILE 27 8.791 -24.381 17.371 220 HB ILE 27 HB ILE 27 9.351 -25.534 19.466 221 HG12 ILE 27 HG12 ILE 27 7.144 -23.519 19.984 222 HG13 ILE 27 HG11 ILE 27 6.956 -24.890 18.888 223 HG21 ILE 27 HG21 ILE 27 9.763 -24.392 21.495 224 HG22 ILE 27 HG22 ILE 27 9.132 -22.868 20.871 225 HG23 ILE 27 HG23 ILE 27 10.683 -23.481 20.301 226 HD11 ILE 27 HD11 ILE 27 7.168 -26.465 20.626 227 HD12 ILE 27 HD12 ILE 27 6.201 -25.190 21.361 228 HD13 ILE 27 HD13 ILE 27 7.921 -25.306 21.719 229 H LEU 28 HN LEU 28 10.261 -21.850 19.348 230 HA LEU 28 HA LEU 28 8.035 -20.104 19.337 231 HB2 LEU 28 HB2 LEU 28 9.873 -19.905 20.971 232 HB3 LEU 28 HB1 LEU 28 10.979 -19.463 19.672 233 HG LEU 28 HG LEU 28 9.606 -17.464 19.181 234 HD11 LEU 28 HD11 LEU 28 7.918 -16.910 21.139 235 HD12 LEU 28 HD12 LEU 28 7.863 -18.663 21.321 236 HD13 LEU 28 HD13 LEU 28 7.402 -17.918 19.789 237 HD21 LEU 28 HD21 LEU 28 10.216 -17.560 22.142 238 HD22 LEU 28 HD22 LEU 28 10.341 -16.179 21.053 239 HD23 LEU 28 HD23 LEU 28 11.485 -17.515 20.919 240 H ALA 29 HN ALA 29 10.841 -20.472 17.229 241 HA ALA 29 HA ALA 29 10.581 -18.166 15.686 242 HB1 ALA 29 HB1 ALA 29 11.662 -19.595 13.864 243 HB2 ALA 29 HB2 ALA 29 11.601 -20.926 15.022 244 HB3 ALA 29 HB3 ALA 29 12.535 -19.476 15.391 245 H LYS 30 HN LYS 30 8.921 -21.273 15.424 246 HA LYS 30 HA LYS 30 7.652 -20.822 12.945 247 HB2 LYS 30 HB2 LYS 30 6.776 -22.446 15.343 248 HB3 LYS 30 HB1 LYS 30 6.010 -22.526 13.759 249 HG2 LYS 30 HG2 LYS 30 8.965 -23.024 14.151 250 HG3 LYS 30 HG1 LYS 30 7.775 -24.316 14.267 251 HD2 LYS 30 HD2 LYS 30 6.988 -23.584 11.939 252 HD3 LYS 30 HD1 LYS 30 8.464 -22.625 11.854 253 HE2 LYS 30 HE2 LYS 30 9.809 -24.652 12.281 254 HE3 LYS 30 HE1 LYS 30 8.333 -25.616 12.329 255 HZ1 LYS 30 HZ1 LYS 30 8.000 -25.390 10.100 256 HZ2 LYS 30 HZ2 LYS 30 9.698 -25.354 10.132 257 HZ3 LYS 30 HZ3 LYS 30 8.816 -23.908 10.000 258 H LEU 31 HN LEU 31 6.668 -20.088 16.274 259 HA LEU 31 HA LEU 31 4.107 -19.092 15.629 260 HB2 LEU 31 HB2 LEU 31 4.765 -19.657 17.931 261 HB3 LEU 31 HB1 LEU 31 5.937 -18.340 17.923 262 HG LEU 31 HG LEU 31 4.116 -16.706 17.604 263 HD11 LEU 31 HD11 LEU 31 2.459 -19.213 17.431 264 HD12 LEU 31 HD12 LEU 31 2.386 -17.755 16.441 265 HD13 LEU 31 HD13 LEU 31 1.734 -17.740 18.078 266 HD21 LEU 31 HD21 LEU 31 3.041 -17.022 19.832 267 HD22 LEU 31 HD22 LEU 31 4.789 -17.237 19.877 268 HD23 LEU 31 HD23 LEU 31 3.726 -18.645 19.901 269 H GLN 32 HN GLN 32 7.271 -17.509 15.941 270 HA GLN 32 HA GLN 32 6.362 -14.868 15.501 271 HB2 GLN 32 HB2 GLN 32 8.583 -15.406 16.435 272 HB3 GLN 32 HB1 GLN 32 9.069 -16.076 14.878 273 HG2 GLN 32 HG2 GLN 32 8.735 -13.886 13.810 274 HG3 GLN 32 HG1 GLN 32 8.189 -13.211 15.344 275 HE21 GLN 32 HE21 GLN 32 9.824 -12.042 16.346 276 HE22 GLN 32 HE22 GLN 32 11.477 -12.422 16.277 277 H ARG 33 HN ARG 33 7.705 -17.297 13.268 278 HA ARG 33 HA ARG 33 7.487 -15.662 10.957 279 HB2 ARG 33 HB2 ARG 33 8.943 -17.674 11.098 280 HB3 ARG 33 HB1 ARG 33 7.499 -18.685 11.132 281 HG2 ARG 33 HG2 ARG 33 6.815 -17.811 8.935 282 HG3 ARG 33 HG1 ARG 33 8.236 -16.768 8.901 283 HD2 ARG 33 HD2 ARG 33 9.655 -18.847 9.113 284 HD3 ARG 33 HD1 ARG 33 8.186 -19.796 8.895 285 HE ARG 33 HE ARG 33 8.360 -17.945 6.783 286 HH11 ARG 33 HH21 ARG 33 9.989 -20.715 8.067 287 HH12 ARG 33 HH22 ARG 33 10.570 -21.258 6.529 288 HH21 ARG 33 HH11 ARG 33 9.125 -18.646 4.764 289 HH22 ARG 33 HH12 ARG 33 10.079 -20.088 4.657 290 H ILE 34 HN ILE 34 5.383 -18.124 12.405 291 HA ILE 34 HA ILE 34 3.390 -18.081 10.393 292 HB ILE 34 HB ILE 34 3.304 -18.860 13.314 293 HG12 ILE 34 HG12 ILE 34 4.626 -20.164 11.425 294 HG13 ILE 34 HG11 ILE 34 3.660 -21.054 12.596 295 HG21 ILE 34 HG21 ILE 34 1.131 -20.048 12.555 296 HG22 ILE 34 HG22 ILE 34 1.140 -18.903 11.213 297 HG23 ILE 34 HG23 ILE 34 1.059 -18.316 12.873 298 HD11 ILE 34 HD11 ILE 34 1.929 -21.454 11.037 299 HD12 ILE 34 HD12 ILE 34 3.403 -21.658 10.094 300 HD13 ILE 34 HD13 ILE 34 2.475 -20.167 9.961 301 H HIS 35 HN HIS 35 3.746 -16.305 13.452 302 HA HIS 35 HA HIS 35 1.348 -15.016 13.646 303 HB2 HIS 35 HB2 HIS 35 3.170 -14.702 15.249 304 HB3 HIS 35 HB1 HIS 35 4.080 -13.780 14.050 305 HD2 HIS 35 HD2 HIS 35 0.800 -13.360 16.217 306 HE1 HIS 35 HE1 HIS 35 1.877 -9.592 14.647 307 HE2 HIS 35 HE2 HIS 35 0.283 -10.802 16.212 308 H ASN 36 HN ASN 36 4.126 -13.827 11.738 309 HA ASN 36 HA ASN 36 2.745 -11.639 10.588 310 HB2 ASN 36 HB2 ASN 36 5.188 -13.170 9.680 311 HB3 ASN 36 HB1 ASN 36 4.620 -11.683 8.922 312 HD21 ASN 36 HD21 ASN 36 7.005 -12.552 10.876 313 HD22 ASN 36 HD22 ASN 36 7.041 -11.252 11.967 314 H SER 37 HN SER 37 3.325 -14.952 9.480 315 HA SER 37 HA SER 37 1.732 -14.521 7.061 316 HB2 SER 37 HB2 SER 37 3.088 -17.071 7.939 317 HB3 SER 37 HB1 SER 37 2.556 -16.621 6.320 318 HG SER 37 HG SER 37 4.394 -15.651 6.067 319 H ASN 38 HN ASN 38 0.634 -14.605 9.894 320 HA ASN 38 HA ASN 38 -0.656 -16.898 10.588 321 HB2 ASN 38 HB2 ASN 38 -0.861 -14.754 11.806 322 HB3 ASN 38 HB1 ASN 38 -1.925 -14.151 10.538 323 HD21 ASN 38 HD21 ASN 38 -3.939 -14.089 11.582 324 HD22 ASN 38 HD22 ASN 38 -4.658 -15.424 12.343 325 H ILE 39 HN ILE 39 -1.815 -18.283 9.502 326 HA ILE 39 HA ILE 39 -3.241 -19.233 7.981 327 HB ILE 39 HB ILE 39 -4.634 -16.559 8.148 328 HG12 ILE 39 HG12 ILE 39 -5.134 -19.033 9.779 329 HG13 ILE 39 HG11 ILE 39 -4.140 -17.704 10.361 330 HG21 ILE 39 HG21 ILE 39 -6.636 -18.052 7.697 331 HG22 ILE 39 HG22 ILE 39 -5.489 -19.339 7.325 332 HG23 ILE 39 HG23 ILE 39 -5.523 -17.877 6.340 333 HD11 ILE 39 HD11 ILE 39 -6.062 -16.161 9.971 334 HD12 ILE 39 HD12 ILE 39 -6.410 -17.399 11.178 335 HD13 ILE 39 HD13 ILE 39 -7.052 -17.556 9.542 336 H LEU 40 HN LEU 40 -1.366 -19.065 6.430 337 HA LEU 40 HA LEU 40 -2.063 -17.273 4.158 338 HB2 LEU 40 HB2 LEU 40 0.266 -17.130 5.595 339 HB3 LEU 40 HB1 LEU 40 0.747 -18.229 4.317 340 HG LEU 40 HG LEU 40 -0.551 -15.517 3.885 341 HD11 LEU 40 HD11 LEU 40 1.775 -14.996 2.950 342 HD12 LEU 40 HD12 LEU 40 2.323 -16.458 3.770 343 HD13 LEU 40 HD13 LEU 40 1.656 -15.120 4.705 344 HD21 LEU 40 HD21 LEU 40 -1.069 -17.004 2.055 345 HD22 LEU 40 HD22 LEU 40 0.587 -17.602 2.006 346 HD23 LEU 40 HD23 LEU 40 0.236 -15.948 1.516 347 H ASP 41 HN ASP 41 -2.531 -18.282 2.309 348 HA ASP 41 HA ASP 41 -2.968 -20.949 2.024 349 HB2 ASP 41 HB2 ASP 41 -3.521 -19.055 0.405 350 HB3 ASP 41 HB1 ASP 41 -1.904 -19.294 -0.253 351 H GLU 42 HN GLU 42 0.098 -19.351 1.941 352 HA GLU 42 HA GLU 42 1.505 -21.616 0.793 353 HB2 GLU 42 HB2 GLU 42 2.413 -19.011 2.003 354 HB3 GLU 42 HB1 GLU 42 3.508 -20.201 1.308 355 HG2 GLU 42 HG2 GLU 42 1.195 -18.952 -0.197 356 HG3 GLU 42 HG1 GLU 42 2.852 -18.360 -0.283 357 H ARG 43 HN ARG 43 1.696 -19.882 3.920 358 HA ARG 43 HA ARG 43 3.212 -21.983 5.169 359 HB2 ARG 43 HB2 ARG 43 1.789 -19.683 6.536 360 HB3 ARG 43 HB1 ARG 43 3.166 -20.603 7.140 361 HG2 ARG 43 HG2 ARG 43 3.148 -18.769 4.726 362 HG3 ARG 43 HG1 ARG 43 3.951 -18.472 6.265 363 HD2 ARG 43 HD2 ARG 43 5.247 -20.643 5.832 364 HD3 ARG 43 HD1 ARG 43 4.633 -20.543 4.183 365 HE ARG 43 HE ARG 43 5.986 -18.166 5.210 366 HH11 ARG 43 HH21 ARG 43 6.097 -21.086 3.343 367 HH12 ARG 43 HH22 ARG 43 7.479 -20.601 2.420 368 HH21 ARG 43 HH11 ARG 43 7.800 -17.535 4.003 369 HH22 ARG 43 HH12 ARG 43 8.444 -18.596 2.795 370 H GLN 44 HN GLN 44 -0.110 -21.402 4.678 371 HA GLN 44 HA GLN 44 -1.409 -22.452 6.854 372 HB2 GLN 44 HB2 GLN 44 -1.940 -22.425 3.919 373 HB3 GLN 44 HB1 GLN 44 -2.894 -23.565 4.864 374 HG2 GLN 44 HG2 GLN 44 -3.749 -21.800 6.269 375 HG3 GLN 44 HG1 GLN 44 -2.642 -20.624 5.569 376 HE21 GLN 44 HE21 GLN 44 -4.649 -23.089 3.881 377 HE22 GLN 44 HE22 GLN 44 -5.520 -21.963 2.958 378 H GLY 45 HN GLY 45 0.524 -24.144 4.466 379 HA2 GLY 45 HA2 GLY 45 -0.276 -26.784 5.210 380 HA3 GLY 45 HA1 GLY 45 1.163 -26.353 4.289 381 H LEU 46 HN LEU 46 2.205 -24.534 6.270 382 HA LEU 46 HA LEU 46 3.738 -26.347 7.788 383 HB2 LEU 46 HB2 LEU 46 4.098 -23.781 7.054 384 HB3 LEU 46 HB1 LEU 46 3.544 -23.506 8.699 385 HG LEU 46 HG LEU 46 5.879 -25.262 7.868 386 HD11 LEU 46 HD11 LEU 46 5.916 -22.737 9.540 387 HD12 LEU 46 HD12 LEU 46 6.153 -22.725 7.791 388 HD13 LEU 46 HD13 LEU 46 7.289 -23.588 8.829 389 HD21 LEU 46 HD21 LEU 46 5.025 -26.302 9.804 390 HD22 LEU 46 HD22 LEU 46 4.539 -24.769 10.523 391 HD23 LEU 46 HD23 LEU 46 6.242 -25.208 10.448 392 H MET 47 HN MET 47 0.783 -24.602 8.456 393 HA MET 47 HA MET 47 0.729 -24.787 11.258 394 HB2 MET 47 HB2 MET 47 -1.453 -24.706 9.174 395 HB3 MET 47 HB1 MET 47 -1.815 -24.770 10.897 396 HG2 MET 47 HG2 MET 47 -0.546 -22.722 11.277 397 HG3 MET 47 HG1 MET 47 -0.073 -22.669 9.579 398 HE1 MET 47 HE1 MET 47 -1.320 -20.128 8.985 399 HE2 MET 47 HE2 MET 47 -0.896 -20.385 10.676 400 HE3 MET 47 HE3 MET 47 -2.478 -19.731 10.262 401 H HIS 48 HN HIS 48 -0.257 -27.099 8.750 402 HA HIS 48 HA HIS 48 -1.477 -28.986 10.448 403 HB2 HIS 48 HB2 HIS 48 -1.690 -29.032 7.994 404 HB3 HIS 48 HB1 HIS 48 0.015 -29.463 7.859 405 HD2 HIS 48 HD2 HIS 48 -3.161 -31.345 7.760 406 HE1 HIS 48 HE1 HIS 48 -0.545 -33.952 9.805 407 HE2 HIS 48 HE2 HIS 48 -2.773 -33.787 8.599 408 H GLU 49 HN GLU 49 1.867 -28.826 9.213 409 HA GLU 49 HA GLU 49 2.764 -31.090 10.711 410 HB2 GLU 49 HB2 GLU 49 4.258 -28.857 9.324 411 HB3 GLU 49 HB1 GLU 49 5.046 -30.242 10.082 412 HG2 GLU 49 HG2 GLU 49 2.905 -30.495 7.961 413 HG3 GLU 49 HG1 GLU 49 4.631 -30.506 7.603 414 H LEU 50 HN LEU 50 2.549 -27.665 11.315 415 HA LEU 50 HA LEU 50 4.352 -27.453 13.452 416 HB2 LEU 50 HB2 LEU 50 3.340 -25.508 12.309 417 HB3 LEU 50 HB1 LEU 50 1.786 -25.912 13.016 418 HG LEU 50 HG LEU 50 2.736 -25.611 15.281 419 HD11 LEU 50 HD11 LEU 50 5.261 -25.184 13.704 420 HD12 LEU 50 HD12 LEU 50 5.016 -26.087 15.199 421 HD13 LEU 50 HD13 LEU 50 5.048 -24.327 15.233 422 HD21 LEU 50 HD21 LEU 50 1.787 -23.693 13.788 423 HD22 LEU 50 HD22 LEU 50 3.462 -23.159 13.681 424 HD23 LEU 50 HD23 LEU 50 2.667 -23.255 15.251 425 H MET 51 HN MET 51 0.990 -28.480 13.316 426 HA MET 51 HA MET 51 0.367 -28.427 16.037 427 HB2 MET 51 HB2 MET 51 -1.277 -28.837 14.242 428 HB3 MET 51 HB1 MET 51 -0.555 -30.420 13.953 429 HG2 MET 51 HG2 MET 51 -1.494 -29.695 16.721 430 HG3 MET 51 HG1 MET 51 -2.656 -30.239 15.511 431 HE1 MET 51 HE1 MET 51 -3.101 -32.775 15.015 432 HE2 MET 51 HE2 MET 51 -3.445 -32.184 16.639 433 HE3 MET 51 HE3 MET 51 -2.691 -33.762 16.424 434 H GLU 52 HN GLU 52 1.912 -30.977 14.107 435 HA GLU 52 HA GLU 52 2.095 -32.847 16.252 436 HB2 GLU 52 HB2 GLU 52 3.488 -32.614 13.582 437 HB3 GLU 52 HB1 GLU 52 3.847 -33.914 14.717 438 HG2 GLU 52 HG2 GLU 52 2.200 -34.842 13.306 439 HG3 GLU 52 HG1 GLU 52 1.286 -34.345 14.726 440 H LEU 53 HN LEU 53 4.317 -30.441 14.900 441 HA LEU 53 HA LEU 53 6.573 -31.144 16.443 442 HB2 LEU 53 HB2 LEU 53 5.720 -28.508 15.238 443 HB3 LEU 53 HB1 LEU 53 7.310 -28.795 15.945 444 HG LEU 53 HG LEU 53 6.126 -30.427 13.680 445 HD11 LEU 53 HD11 LEU 53 8.304 -28.332 13.491 446 HD12 LEU 53 HD12 LEU 53 6.609 -27.991 13.144 447 HD13 LEU 53 HD13 LEU 53 7.488 -29.165 12.168 448 HD21 LEU 53 HD21 LEU 53 7.746 -31.827 14.570 449 HD22 LEU 53 HD22 LEU 53 8.709 -30.498 15.215 450 HD23 LEU 53 HD23 LEU 53 8.760 -30.873 13.492 451 H ILE 54 HN ILE 54 3.931 -28.841 17.027 452 HA ILE 54 HA ILE 54 4.952 -27.818 19.455 453 HB ILE 54 HB ILE 54 2.138 -27.953 18.383 454 HG12 ILE 54 HG12 ILE 54 4.028 -26.532 17.271 455 HG13 ILE 54 HG11 ILE 54 2.486 -25.773 17.609 456 HG21 ILE 54 HG21 ILE 54 1.789 -26.092 20.139 457 HG22 ILE 54 HG22 ILE 54 3.244 -26.726 20.908 458 HG23 ILE 54 HG23 ILE 54 1.828 -27.759 20.710 459 HD11 ILE 54 HD11 ILE 54 4.697 -24.527 18.257 460 HD12 ILE 54 HD12 ILE 54 4.681 -25.596 19.654 461 HD13 ILE 54 HD13 ILE 54 3.334 -24.501 19.375 462 H ASP 55 HN ASP 55 2.730 -30.475 18.726 463 HA ASP 55 HA ASP 55 2.038 -31.109 21.372 464 HB2 ASP 55 HB2 ASP 55 2.151 -32.778 18.857 465 HB3 ASP 55 HB1 ASP 55 1.521 -33.383 20.390 466 H LEU 56 HN LEU 56 4.642 -32.298 19.267 467 HA LEU 56 HA LEU 56 5.615 -34.233 21.049 468 HB2 LEU 56 HB2 LEU 56 6.957 -32.673 18.847 469 HB3 LEU 56 HB1 LEU 56 7.780 -33.948 19.741 470 HG LEU 56 HG LEU 56 5.133 -34.359 18.322 471 HD11 LEU 56 HD11 LEU 56 7.935 -34.971 17.334 472 HD12 LEU 56 HD12 LEU 56 6.887 -33.695 16.713 473 HD13 LEU 56 HD13 LEU 56 6.434 -35.387 16.505 474 HD21 LEU 56 HD21 LEU 56 5.340 -36.156 19.797 475 HD22 LEU 56 HD22 LEU 56 7.102 -36.136 19.753 476 HD23 LEU 56 HD23 LEU 56 6.193 -36.800 18.398 477 H TYR 57 HN TYR 57 6.511 -30.831 20.610 478 HA TYR 57 HA TYR 57 8.560 -30.841 22.595 479 HB2 TYR 57 HB2 TYR 57 7.039 -28.747 21.074 480 HB3 TYR 57 HB1 TYR 57 8.010 -28.251 22.460 481 HD1 TYR 57 HD2 TYR 57 8.379 -30.674 19.600 482 HD2 TYR 57 HD1 TYR 57 10.154 -27.510 21.904 483 HE1 TYR 57 HE2 TYR 57 10.428 -30.808 18.210 484 HE2 TYR 57 HE1 TYR 57 12.201 -27.646 20.514 485 HH TYR 57 HH TYR 57 13.074 -30.097 18.768 486 H GLU 58 HN GLU 58 5.120 -30.013 22.607 487 HA GLU 58 HA GLU 58 5.150 -29.198 25.376 488 HB2 GLU 58 HB2 GLU 58 2.880 -29.723 23.448 489 HB3 GLU 58 HB1 GLU 58 2.671 -29.108 25.088 490 HG2 GLU 58 HG2 GLU 58 4.370 -27.769 22.966 491 HG3 GLU 58 HG1 GLU 58 2.720 -27.294 23.365 492 H GLU 59 HN GLU 59 4.709 -32.162 23.642 493 HA GLU 59 HA GLU 59 3.457 -33.484 25.923 494 HB2 GLU 59 HB2 GLU 59 2.714 -34.067 23.647 495 HB3 GLU 59 HB1 GLU 59 4.342 -34.635 23.271 496 HG2 GLU 59 HG2 GLU 59 4.193 -36.377 24.928 497 HG3 GLU 59 HG1 GLU 59 2.677 -35.729 25.552 498 H SER 60 HN SER 60 6.591 -32.821 24.759 499 HA SER 60 HA SER 60 8.078 -35.054 25.371 500 HB2 SER 60 HB2 SER 60 9.941 -33.505 25.838 501 HB3 SER 60 HB1 SER 60 9.039 -33.015 24.406 502 HG SER 60 HG SER 60 7.867 -31.579 25.804 503 H GLN 61 HN GLN 61 7.565 -32.349 27.677 504 HA GLN 61 HA GLN 61 7.942 -34.277 29.901 505 HB2 GLN 61 HB2 GLN 61 9.338 -31.901 29.395 506 HB3 GLN 61 HB1 GLN 61 8.216 -31.458 30.676 507 HG2 GLN 61 HG2 GLN 61 10.169 -33.782 30.724 508 HG3 GLN 61 HG1 GLN 61 10.284 -32.298 31.670 509 HE21 GLN 61 HE21 GLN 61 9.805 -35.293 32.416 510 HE22 GLN 61 HE22 GLN 61 8.469 -35.218 33.461 511 HA PRO 62 HA PRO 62 4.095 -31.895 31.085 512 HB2 PRO 62 HB2 PRO 62 3.338 -29.682 29.706 513 HB3 PRO 62 HB1 PRO 62 4.687 -29.654 30.859 514 HG2 PRO 62 HG2 PRO 62 4.758 -29.515 27.914 515 HG3 PRO 62 HG1 PRO 62 5.976 -29.019 29.097 516 HD2 PRO 62 HD2 PRO 62 5.890 -31.528 27.573 517 HD3 PRO 62 HD1 PRO 62 7.154 -30.934 28.664 518 H SER 63 HN SER 63 3.357 -33.952 30.058 519 HA SER 63 HA SER 63 1.939 -33.941 27.570 520 HB2 SER 63 HB2 SER 63 1.814 -35.864 29.900 521 HB3 SER 63 HB1 SER 63 1.167 -36.165 28.291 522 HG SER 63 HG SER 63 3.727 -35.330 28.152 523 H SER 64 HN SER 64 0.972 -33.801 30.993 524 HA SER 64 HA SER 64 -1.715 -32.874 30.122 525 HB2 SER 64 HB2 SER 64 -2.609 -33.891 32.173 526 HB3 SER 64 HB1 SER 64 -1.846 -35.096 31.142 527 HG SER 64 HG SER 64 -1.039 -34.040 33.599 528 H GLU 65 HN GLU 65 1.096 -31.785 31.309 529 HA GLU 65 HA GLU 65 0.075 -30.188 33.517 530 HB2 GLU 65 HB2 GLU 65 2.360 -31.170 33.547 531 HB3 GLU 65 HB1 GLU 65 2.801 -30.131 32.196 532 HG2 GLU 65 HG2 GLU 65 3.528 -28.994 34.169 533 HG3 GLU 65 HG1 GLU 65 2.065 -28.160 33.653 534 H ARG 66 HN ARG 66 2.268 -28.854 31.148 535 HA ARG 66 HA ARG 66 0.717 -26.443 30.973 536 HB2 ARG 66 HB2 ARG 66 3.235 -27.308 29.537 537 HB3 ARG 66 HB1 ARG 66 2.547 -25.684 29.499 538 HG2 ARG 66 HG2 ARG 66 2.803 -25.479 31.922 539 HG3 ARG 66 HG1 ARG 66 3.408 -27.134 32.017 540 HD2 ARG 66 HD2 ARG 66 5.303 -25.616 32.039 541 HD3 ARG 66 HD1 ARG 66 5.290 -26.483 30.506 542 HE ARG 66 HE ARG 66 3.856 -24.033 30.274 543 HH11 ARG 66 HH21 ARG 66 7.034 -25.375 30.551 544 HH12 ARG 66 HH22 ARG 66 7.803 -24.087 29.686 545 HH21 ARG 66 HH11 ARG 66 4.857 -22.341 29.140 546 HH22 ARG 66 HH12 ARG 66 6.569 -22.369 28.886 547 H LEU 67 HN LEU 67 0.739 -29.388 29.271 548 HA LEU 67 HA LEU 67 0.291 -28.678 26.636 549 HB2 LEU 67 HB2 LEU 67 0.420 -31.034 27.516 550 HB3 LEU 67 HB1 LEU 67 -1.225 -30.844 28.116 551 HG LEU 67 HG LEU 67 -1.966 -30.309 25.782 552 HD11 LEU 67 HD11 LEU 67 -0.158 -31.250 24.046 553 HD12 LEU 67 HD12 LEU 67 0.967 -30.692 25.280 554 HD13 LEU 67 HD13 LEU 67 -0.164 -29.561 24.539 555 HD21 LEU 67 HD21 LEU 67 -2.045 -32.626 26.789 556 HD22 LEU 67 HD22 LEU 67 -0.525 -32.970 25.961 557 HD23 LEU 67 HD23 LEU 67 -1.975 -32.602 25.030 558 H ASN 68 HN ASN 68 -1.986 -28.702 29.353 559 HA ASN 68 HA ASN 68 -4.309 -28.075 27.870 560 HB2 ASN 68 HB2 ASN 68 -3.562 -27.547 30.753 561 HB3 ASN 68 HB1 ASN 68 -5.162 -27.227 30.087 562 HD21 ASN 68 HD21 ASN 68 -4.383 -29.800 28.288 563 HD22 ASN 68 HD22 ASN 68 -4.882 -31.066 29.303 564 H ALA 69 HN ALA 69 -1.848 -26.041 29.419 565 HA ALA 69 HA ALA 69 -3.144 -23.561 28.871 566 HB1 ALA 69 HB1 ALA 69 -1.421 -23.768 30.604 567 HB2 ALA 69 HB2 ALA 69 -0.951 -22.563 29.405 568 HB3 ALA 69 HB3 ALA 69 -0.220 -24.168 29.375 569 H PHE 70 HN PHE 70 -0.727 -25.507 27.180 570 HA PHE 70 HA PHE 70 -0.350 -23.586 25.063 571 HB2 PHE 70 HB2 PHE 70 0.581 -26.413 25.547 572 HB3 PHE 70 HB1 PHE 70 0.815 -25.646 23.977 573 HD1 PHE 70 HD2 PHE 70 1.838 -23.227 24.030 574 HD2 PHE 70 HD1 PHE 70 2.209 -26.077 27.221 575 HE1 PHE 70 HE2 PHE 70 3.814 -22.004 24.891 576 HE2 PHE 70 HE1 PHE 70 4.190 -24.851 28.079 577 HZ PHE 70 HZ PHE 70 4.989 -22.815 26.917 578 H ARG 71 HN ARG 71 -2.659 -25.973 25.800 579 HA ARG 71 HA ARG 71 -3.422 -26.987 23.336 580 HB2 ARG 71 HB2 ARG 71 -4.427 -27.643 25.508 581 HB3 ARG 71 HB1 ARG 71 -5.275 -26.098 25.554 582 HG2 ARG 71 HG2 ARG 71 -6.461 -26.635 23.497 583 HG3 ARG 71 HG1 ARG 71 -5.550 -28.136 23.330 584 HD2 ARG 71 HD2 ARG 71 -7.315 -27.492 25.704 585 HD3 ARG 71 HD1 ARG 71 -7.846 -28.440 24.318 586 HE ARG 71 HE ARG 71 -5.458 -29.563 25.311 587 HH11 ARG 71 HH21 ARG 71 -8.765 -29.051 26.192 588 HH12 ARG 71 HH22 ARG 71 -8.864 -30.469 27.182 589 HH21 ARG 71 HH11 ARG 71 -5.580 -31.423 26.607 590 HH22 ARG 71 HH12 ARG 71 -7.061 -31.812 27.417 591 H GLU 72 HN GLU 72 -3.897 -23.791 24.691 592 HA GLU 72 HA GLU 72 -5.874 -22.854 22.910 593 HB2 GLU 72 HB2 GLU 72 -3.641 -21.395 24.341 594 HB3 GLU 72 HB1 GLU 72 -4.932 -20.588 23.450 595 HG2 GLU 72 HG2 GLU 72 -6.613 -21.616 24.897 596 HG3 GLU 72 HG1 GLU 72 -5.359 -22.508 25.755 597 H LEU 73 HN LEU 73 -2.330 -22.891 22.730 598 HA LEU 73 HA LEU 73 -2.142 -21.501 20.268 599 HB2 LEU 73 HB2 LEU 73 -0.312 -22.203 22.080 600 HB3 LEU 73 HB1 LEU 73 -0.115 -23.586 21.013 601 HG LEU 73 HG LEU 73 1.462 -21.874 20.345 602 HD11 LEU 73 HD11 LEU 73 1.006 -21.803 18.047 603 HD12 LEU 73 HD12 LEU 73 -0.734 -21.650 18.297 604 HD13 LEU 73 HD13 LEU 73 0.068 -23.192 18.598 605 HD21 LEU 73 HD21 LEU 73 -0.355 -20.033 21.267 606 HD22 LEU 73 HD22 LEU 73 -0.567 -19.858 19.527 607 HD23 LEU 73 HD23 LEU 73 1.025 -19.640 20.248 608 H ARG 74 HN ARG 74 -2.377 -24.931 21.108 609 HA ARG 74 HA ARG 74 -2.073 -25.976 18.499 610 HB2 ARG 74 HB2 ARG 74 -3.454 -27.059 20.962 611 HB3 ARG 74 HB1 ARG 74 -3.255 -27.982 19.471 612 HG2 ARG 74 HG2 ARG 74 -0.831 -27.771 19.610 613 HG3 ARG 74 HG1 ARG 74 -0.977 -26.735 21.032 614 HD2 ARG 74 HD2 ARG 74 -0.451 -29.038 21.702 615 HD3 ARG 74 HD1 ARG 74 -2.056 -28.579 22.264 616 HE ARG 74 HE ARG 74 -2.225 -29.835 19.716 617 HH11 ARG 74 HH21 ARG 74 -1.633 -30.429 23.069 618 HH12 ARG 74 HH22 ARG 74 -2.212 -32.061 23.026 619 HH21 ARG 74 HH11 ARG 74 -2.991 -31.976 19.652 620 HH22 ARG 74 HH12 ARG 74 -2.983 -32.935 21.093 621 H THR 75 HN THR 75 -4.821 -24.766 20.311 622 HA THR 75 HA THR 75 -6.881 -25.651 18.647 623 HB THR 75 HB THR 75 -6.710 -23.143 20.252 624 HG1 THR 75 HG1 THR 75 -6.777 -24.543 21.800 625 HG21 THR 75 HG21 THR 75 -8.996 -24.575 18.936 626 HG22 THR 75 HG22 THR 75 -8.495 -22.901 18.703 627 HG23 THR 75 HG23 THR 75 -9.229 -23.398 20.228 628 H GLN 76 HN GLN 76 -4.869 -22.739 18.505 629 HA GLN 76 HA GLN 76 -6.174 -21.463 16.382 630 HB2 GLN 76 HB2 GLN 76 -4.177 -20.720 17.952 631 HB3 GLN 76 HB1 GLN 76 -3.180 -21.343 16.641 632 HG2 GLN 76 HG2 GLN 76 -5.340 -19.230 16.385 633 HG3 GLN 76 HG1 GLN 76 -3.604 -18.952 16.325 634 HE21 GLN 76 HE21 GLN 76 -6.116 -19.030 14.280 635 HE22 GLN 76 HE22 GLN 76 -5.389 -19.721 12.911 636 H LEU 77 HN LEU 77 -3.490 -23.802 16.378 637 HA LEU 77 HA LEU 77 -3.137 -23.874 13.564 638 HB2 LEU 77 HB2 LEU 77 -2.603 -26.151 15.483 639 HB3 LEU 77 HB1 LEU 77 -1.801 -25.827 13.948 640 HG LEU 77 HG LEU 77 -1.616 -24.202 16.494 641 HD11 LEU 77 HD11 LEU 77 0.809 -24.702 16.229 642 HD12 LEU 77 HD12 LEU 77 0.407 -25.733 14.857 643 HD13 LEU 77 HD13 LEU 77 -0.176 -26.146 16.466 644 HD21 LEU 77 HD21 LEU 77 -0.749 -23.553 13.671 645 HD22 LEU 77 HD22 LEU 77 0.041 -22.829 15.071 646 HD23 LEU 77 HD23 LEU 77 -1.675 -22.549 14.788 647 H GLU 78 HN GLU 78 -5.122 -25.756 15.801 648 HA GLU 78 HA GLU 78 -6.098 -27.616 13.894 649 HB2 GLU 78 HB2 GLU 78 -6.204 -27.918 16.373 650 HB3 GLU 78 HB1 GLU 78 -7.446 -26.665 16.432 651 HG2 GLU 78 HG2 GLU 78 -8.880 -27.992 14.941 652 HG3 GLU 78 HG1 GLU 78 -7.636 -29.237 14.841 653 H LYS 79 HN LYS 79 -7.311 -24.499 15.083 654 HA LYS 79 HA LYS 79 -9.747 -24.553 13.619 655 HB2 LYS 79 HB2 LYS 79 -9.337 -23.090 15.592 656 HB3 LYS 79 HB1 LYS 79 -8.198 -22.154 14.622 657 HG2 LYS 79 HG2 LYS 79 -9.973 -21.577 13.038 658 HG3 LYS 79 HG1 LYS 79 -11.118 -22.582 13.928 659 HD2 LYS 79 HD2 LYS 79 -11.430 -20.253 14.579 660 HD3 LYS 79 HD1 LYS 79 -10.765 -21.153 15.939 661 HE2 LYS 79 HE2 LYS 79 -8.812 -19.840 14.084 662 HE3 LYS 79 HE1 LYS 79 -9.728 -18.803 15.179 663 HZ1 LYS 79 HZ1 LYS 79 -8.408 -19.419 16.820 664 HZ2 LYS 79 HZ2 LYS 79 -7.527 -20.423 15.771 665 HZ3 LYS 79 HZ3 LYS 79 -8.865 -21.040 16.617 666 H ALA 80 HN ALA 80 -6.579 -23.056 13.047 667 HA ALA 80 HA ALA 80 -7.266 -21.872 10.577 668 HB1 ALA 80 HB1 ALA 80 -5.244 -21.337 12.033 669 HB2 ALA 80 HB2 ALA 80 -4.944 -21.444 10.298 670 HB3 ALA 80 HB3 ALA 80 -4.501 -22.785 11.354 671 H LEU 81 HN LEU 81 -5.905 -24.998 11.463 672 HA LEU 81 HA LEU 81 -5.341 -25.904 8.845 673 HB2 LEU 81 HB2 LEU 81 -4.373 -27.036 10.760 674 HB3 LEU 81 HB1 LEU 81 -5.974 -27.445 11.374 675 HG LEU 81 HG LEU 81 -6.402 -28.875 9.431 676 HD11 LEU 81 HD11 LEU 81 -3.787 -27.712 8.483 677 HD12 LEU 81 HD12 LEU 81 -5.308 -27.883 7.608 678 HD13 LEU 81 HD13 LEU 81 -4.309 -29.300 7.919 679 HD21 LEU 81 HD21 LEU 81 -5.324 -29.988 11.264 680 HD22 LEU 81 HD22 LEU 81 -3.749 -29.339 10.812 681 HD23 LEU 81 HD23 LEU 81 -4.529 -30.546 9.791 682 H GLY 82 HN GLY 82 -8.232 -26.008 10.861 683 HA2 GLY 82 HA2 GLY 82 -9.747 -27.771 9.264 684 HA3 GLY 82 HA1 GLY 82 -10.413 -26.578 10.379 685 H LEU 83 HN LEU 83 -9.031 -24.358 8.988 686 HA LEU 83 HA LEU 83 -9.555 -22.787 7.398 687 HB2 LEU 83 HB2 LEU 83 -9.806 -25.316 5.760 688 HB3 LEU 83 HB1 LEU 83 -9.802 -23.696 5.068 689 HG LEU 83 HG LEU 83 -7.576 -24.754 6.839 690 HD11 LEU 83 HD11 LEU 83 -7.943 -24.861 3.841 691 HD12 LEU 83 HD12 LEU 83 -7.529 -26.176 4.940 692 HD13 LEU 83 HD13 LEU 83 -6.344 -24.919 4.585 693 HD21 LEU 83 HD21 LEU 83 -6.358 -22.885 5.439 694 HD22 LEU 83 HD22 LEU 83 -7.370 -22.411 6.797 695 HD23 LEU 83 HD23 LEU 83 -7.989 -22.281 5.152 696 H GLU 84 HN GLU 84 -11.648 -23.384 9.094 697 HA GLU 84 HA GLU 84 -14.076 -24.012 7.772 698 HB2 GLU 84 HB2 GLU 84 -15.155 -23.042 9.761 699 HB3 GLU 84 HB1 GLU 84 -13.831 -24.114 10.218 700 HG2 GLU 84 HG2 GLU 84 -12.337 -22.137 10.437 701 HG3 GLU 84 HG1 GLU 84 -13.702 -21.086 10.061 702 H HIS 85 HN HIS 85 -15.660 -22.687 6.905 703 HA HIS 85 HA HIS 85 -16.410 -20.933 5.616 704 HB2 HIS 85 HB2 HIS 85 -15.211 -19.469 7.974 705 HB3 HIS 85 HB1 HIS 85 -16.202 -18.691 6.739 706 HD2 HIS 85 HD2 HIS 85 -18.964 -19.451 6.776 707 HE1 HIS 85 HE1 HIS 85 -18.742 -21.590 10.409 708 HE2 HIS 85 HE2 HIS 85 -20.323 -20.625 8.671 709 H HIS 86 HN HIS 86 -14.850 -21.473 3.940 710 HA HIS 86 HA HIS 86 -13.184 -19.192 3.279 711 HB2 HIS 86 HB2 HIS 86 -11.691 -20.623 4.684 712 HB3 HIS 86 HB1 HIS 86 -11.917 -21.930 3.522 713 HD2 HIS 86 HD2 HIS 86 -9.893 -18.622 3.867 714 HE1 HIS 86 HE1 HIS 86 -9.086 -20.202 0.036 715 HE2 HIS 86 HE2 HIS 86 -8.413 -18.428 1.724 716 H HIS 87 HN HIS 87 -13.989 -18.816 1.304 717 HA HIS 87 HA HIS 87 -13.679 -20.832 -0.765 718 HB2 HIS 87 HB2 HIS 87 -16.077 -20.544 -1.515 719 HB3 HIS 87 HB1 HIS 87 -15.867 -21.467 -0.025 720 HD2 HIS 87 HD2 HIS 87 -17.125 -20.366 2.202 721 HE1 HIS 87 HE1 HIS 87 -18.246 -16.696 0.442 722 HE2 HIS 87 HE2 HIS 87 -18.470 -18.150 2.512 723 H HIS 88 HN HIS 88 -13.707 -19.953 -2.875 724 HA HIS 88 HA HIS 88 -14.156 -17.070 -3.179 725 HB2 HIS 88 HB2 HIS 88 -11.498 -18.386 -3.792 726 HB3 HIS 88 HB1 HIS 88 -11.936 -16.725 -4.191 727 HD2 HIS 88 HD2 HIS 88 -10.691 -18.765 -1.136 728 HE1 HIS 88 HE1 HIS 88 -11.596 -14.883 0.254 729 HE2 HIS 88 HE2 HIS 88 -10.518 -17.099 0.867 730 H HIS 89 HN HIS 89 -14.479 -16.415 -5.316 731 HA HIS 89 HA HIS 89 -15.484 -18.484 -7.060 732 HB2 HIS 89 HB2 HIS 89 -15.311 -15.478 -7.325 733 HB3 HIS 89 HB1 HIS 89 -16.068 -16.528 -8.524 734 HD2 HIS 89 HD2 HIS 89 -17.042 -18.202 -5.370 735 HE1 HIS 89 HE1 HIS 89 -19.940 -15.162 -5.782 736 HE2 HIS 89 HE2 HIS 89 -19.360 -17.315 -4.567 737 H HIS 90 HN HIS 90 -14.055 -15.875 -8.750 738 HA HIS 90 HA HIS 90 -12.379 -17.686 -10.241 739 HB2 HIS 90 HB2 HIS 90 -12.613 -14.671 -10.395 740 HB3 HIS 90 HB1 HIS 90 -11.788 -15.700 -11.565 741 HD2 HIS 90 HD2 HIS 90 -15.295 -14.324 -10.962 742 HE1 HIS 90 HE1 HIS 90 -15.781 -17.609 -13.571 743 HE2 HIS 90 HE2 HIS 90 -16.938 -15.593 -12.547 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -1.412 -13.735 11.453 2 H2 MET 1 HT2 MET 1 -1.472 -12.083 11.843 3 H3 MET 1 HT3 MET 1 -1.871 -12.605 10.276 4 HA MET 1 HA MET 1 -3.471 -12.583 12.691 5 HB2 MET 1 HB2 MET 1 -4.008 -12.547 9.709 6 HB3 MET 1 HB1 MET 1 -5.270 -12.445 10.936 7 HG2 MET 1 HG2 MET 1 -4.254 -10.408 11.847 8 HG3 MET 1 HG1 MET 1 -2.939 -10.525 10.679 9 HE1 MET 1 HE1 MET 1 -6.533 -10.435 11.364 10 HE2 MET 1 HE2 MET 1 -6.985 -11.149 9.820 11 HE3 MET 1 HE3 MET 1 -7.298 -9.442 10.117 12 H GLY 2 HN GLY 2 -2.370 -14.838 13.139 13 HA2 GLY 2 HA2 GLY 2 -4.369 -16.853 12.447 14 HA3 GLY 2 HA1 GLY 2 -2.718 -17.193 11.931 15 H VAL 3 HN VAL 3 -1.033 -16.940 13.711 16 HA VAL 3 HA VAL 3 -2.096 -17.958 16.295 17 HB VAL 3 HB VAL 3 0.051 -19.255 16.439 18 HG11 VAL 3 HG11 VAL 3 -1.928 -20.457 15.853 19 HG12 VAL 3 HG12 VAL 3 -0.701 -20.952 14.688 20 HG13 VAL 3 HG13 VAL 3 -1.937 -19.783 14.224 21 HG21 VAL 3 HG21 VAL 3 1.211 -19.674 14.267 22 HG22 VAL 3 HG22 VAL 3 1.368 -18.006 14.800 23 HG23 VAL 3 HG23 VAL 3 0.222 -18.417 13.528 24 H TRP 4 HN TRP 4 -1.503 -16.870 18.041 25 HA TRP 4 HA TRP 4 0.848 -15.063 17.888 26 HB2 TRP 4 HB2 TRP 4 -1.846 -14.536 19.160 27 HB3 TRP 4 HB1 TRP 4 -0.430 -13.497 19.329 28 HD1 TRP 4 HD1 TRP 4 -2.954 -14.731 16.734 29 HE1 TRP 4 HE1 TRP 4 -2.889 -13.154 14.695 30 HE3 TRP 4 HE3 TRP 4 1.014 -11.784 18.022 31 HZ2 TRP 4 HZ2 TRP 4 -1.360 -10.936 13.738 32 HZ3 TRP 4 HZ3 TRP 4 1.751 -9.947 16.530 33 HH2 TRP 4 HH2 TRP 4 0.571 -9.520 14.391 34 H THR 5 HN THR 5 2.300 -16.108 19.096 35 HA THR 5 HA THR 5 1.805 -16.391 21.924 36 HB THR 5 HB THR 5 2.588 -18.796 21.945 37 HG1 THR 5 HG1 THR 5 1.734 -18.892 19.277 38 HG21 THR 5 HG21 THR 5 0.408 -19.680 21.647 39 HG22 THR 5 HG22 THR 5 0.009 -18.499 20.404 40 HG23 THR 5 HG23 THR 5 0.142 -17.994 22.088 41 HA PRO 6 HA PRO 6 6.215 -15.629 20.229 42 HB2 PRO 6 HB2 PRO 6 6.344 -12.918 20.594 43 HB3 PRO 6 HB1 PRO 6 5.762 -13.656 19.089 44 HG2 PRO 6 HG2 PRO 6 4.179 -12.590 21.387 45 HG3 PRO 6 HG1 PRO 6 3.940 -12.332 19.651 46 HD2 PRO 6 HD2 PRO 6 2.467 -14.142 21.014 47 HD3 PRO 6 HD1 PRO 6 2.983 -14.426 19.334 48 H GLU 7 HN GLU 7 7.935 -14.255 21.582 49 HA GLU 7 HA GLU 7 8.284 -15.326 24.064 50 HB2 GLU 7 HB2 GLU 7 9.102 -12.588 23.078 51 HB3 GLU 7 HB1 GLU 7 9.686 -13.297 24.585 52 HG2 GLU 7 HG2 GLU 7 10.627 -15.194 23.365 53 HG3 GLU 7 HG1 GLU 7 9.973 -14.573 21.852 54 H VAL 8 HN VAL 8 5.945 -13.001 23.179 55 HA VAL 8 HA VAL 8 5.557 -11.597 25.580 56 HB VAL 8 HB VAL 8 3.465 -12.466 23.576 57 HG11 VAL 8 HG11 VAL 8 2.403 -11.674 25.574 58 HG12 VAL 8 HG12 VAL 8 2.336 -10.358 24.404 59 HG13 VAL 8 HG13 VAL 8 3.525 -10.321 25.705 60 HG21 VAL 8 HG21 VAL 8 5.500 -11.185 22.693 61 HG22 VAL 8 HG22 VAL 8 4.952 -9.835 23.686 62 HG23 VAL 8 HG23 VAL 8 3.927 -10.447 22.387 63 H LEU 9 HN LEU 9 4.213 -14.694 24.437 64 HA LEU 9 HA LEU 9 2.476 -15.162 26.590 65 HB2 LEU 9 HB2 LEU 9 2.465 -16.525 24.529 66 HB3 LEU 9 HB1 LEU 9 4.046 -17.177 24.955 67 HG LEU 9 HG LEU 9 3.099 -18.169 27.007 68 HD11 LEU 9 HD11 LEU 9 1.317 -16.846 27.712 69 HD12 LEU 9 HD12 LEU 9 0.454 -18.195 26.980 70 HD13 LEU 9 HD13 LEU 9 0.649 -16.687 26.088 71 HD21 LEU 9 HD21 LEU 9 1.577 -18.825 24.466 72 HD22 LEU 9 HD22 LEU 9 1.655 -19.865 25.888 73 HD23 LEU 9 HD23 LEU 9 3.119 -19.516 24.970 74 H LYS 10 HN LYS 10 5.874 -16.124 26.115 75 HA LYS 10 HA LYS 10 6.146 -17.358 28.659 76 HB2 LYS 10 HB2 LYS 10 8.162 -16.276 26.690 77 HB3 LYS 10 HB1 LYS 10 8.631 -17.038 28.208 78 HG2 LYS 10 HG2 LYS 10 7.410 -19.070 27.574 79 HG3 LYS 10 HG1 LYS 10 6.933 -18.309 26.053 80 HD2 LYS 10 HD2 LYS 10 9.259 -18.103 25.376 81 HD3 LYS 10 HD1 LYS 10 9.799 -18.739 26.932 82 HE2 LYS 10 HE2 LYS 10 8.635 -20.849 26.475 83 HE3 LYS 10 HE1 LYS 10 8.096 -20.219 24.925 84 HZ1 LYS 10 HZ1 LYS 10 10.016 -21.502 24.507 85 HZ2 LYS 10 HZ2 LYS 10 10.873 -20.782 25.785 86 HZ3 LYS 10 HZ3 LYS 10 10.505 -19.883 24.392 87 H ALA 11 HN ALA 11 6.776 -14.096 27.460 88 HA ALA 11 HA ALA 11 7.992 -13.074 29.793 89 HB1 ALA 11 HB1 ALA 11 7.976 -11.980 27.522 90 HB2 ALA 11 HB2 ALA 11 7.578 -10.896 28.857 91 HB3 ALA 11 HB3 ALA 11 6.298 -11.528 27.821 92 H ARG 12 HN ARG 12 4.636 -13.472 28.835 93 HA ARG 12 HA ARG 12 3.445 -11.856 30.815 94 HB2 ARG 12 HB2 ARG 12 2.499 -14.226 29.213 95 HB3 ARG 12 HB1 ARG 12 1.458 -13.490 30.427 96 HG2 ARG 12 HG2 ARG 12 2.786 -11.748 28.353 97 HG3 ARG 12 HG1 ARG 12 1.342 -12.662 27.924 98 HD2 ARG 12 HD2 ARG 12 0.165 -11.630 29.868 99 HD3 ARG 12 HD1 ARG 12 1.590 -10.646 30.181 100 HE ARG 12 HE ARG 12 -0.297 -10.331 27.977 101 HH11 ARG 12 HH21 ARG 12 2.784 -9.569 29.362 102 HH12 ARG 12 HH22 ARG 12 2.975 -8.099 28.466 103 HH21 ARG 12 HH11 ARG 12 -0.053 -8.414 26.803 104 HH22 ARG 12 HH12 ARG 12 1.366 -7.444 27.015 105 H ALA 13 HN ALA 13 4.361 -15.282 30.800 106 HA ALA 13 HA ALA 13 3.456 -15.642 33.552 107 HB1 ALA 13 HB1 ALA 13 4.247 -17.960 33.232 108 HB2 ALA 13 HB2 ALA 13 4.885 -17.513 31.649 109 HB3 ALA 13 HB3 ALA 13 3.148 -17.463 31.946 110 H SER 14 HN SER 14 6.475 -15.518 31.732 111 HA SER 14 HA SER 14 8.102 -15.807 34.129 112 HB2 SER 14 HB2 SER 14 8.939 -15.240 31.275 113 HB3 SER 14 HB1 SER 14 9.998 -15.703 32.604 114 HG SER 14 HG SER 14 7.785 -17.262 31.771 115 H VAL 15 HN VAL 15 6.313 -13.381 33.071 116 HA VAL 15 HA VAL 15 6.286 -11.122 33.469 117 HB VAL 15 HB VAL 15 8.960 -11.435 34.838 118 HG11 VAL 15 HG11 VAL 15 6.659 -9.583 35.455 119 HG12 VAL 15 HG12 VAL 15 7.948 -9.148 34.332 120 HG13 VAL 15 HG13 VAL 15 8.323 -9.473 36.026 121 HG21 VAL 15 HG21 VAL 15 6.165 -12.077 35.800 122 HG22 VAL 15 HG22 VAL 15 7.477 -11.700 36.916 123 HG23 VAL 15 HG23 VAL 15 7.595 -13.108 35.863 124 H ILE 16 HN ILE 16 9.419 -12.418 32.451 125 HA ILE 16 HA ILE 16 9.551 -10.368 30.348 126 HB ILE 16 HB ILE 16 10.915 -9.591 32.279 127 HG12 ILE 16 HG12 ILE 16 12.661 -10.483 29.972 128 HG13 ILE 16 HG11 ILE 16 11.497 -9.163 29.836 129 HG21 ILE 16 HG21 ILE 16 12.664 -11.994 31.705 130 HG22 ILE 16 HG22 ILE 16 11.475 -11.972 33.008 131 HG23 ILE 16 HG23 ILE 16 12.820 -10.832 33.022 132 HD11 ILE 16 HD11 ILE 16 12.626 -7.862 31.483 133 HD12 ILE 16 HD12 ILE 16 13.895 -8.493 30.433 134 HD13 ILE 16 HD13 ILE 16 13.601 -9.236 32.005 135 H GLY 17 HN GLY 17 10.244 -11.148 28.434 136 HA2 GLY 17 HA2 GLY 17 10.450 -13.941 28.017 137 HA3 GLY 17 HA1 GLY 17 10.846 -12.694 26.838 138 H LYS 18 HN LYS 18 12.175 -15.287 27.839 139 HA LYS 18 HA LYS 18 14.858 -14.437 27.453 140 HB2 LYS 18 HB2 LYS 18 14.364 -13.713 29.867 141 HB3 LYS 18 HB1 LYS 18 14.328 -15.434 30.252 142 HG2 LYS 18 HG2 LYS 18 16.615 -15.581 29.095 143 HG3 LYS 18 HG1 LYS 18 16.641 -13.818 29.168 144 HD2 LYS 18 HD2 LYS 18 16.375 -15.704 31.528 145 HD3 LYS 18 HD1 LYS 18 17.791 -14.733 31.124 146 HE2 LYS 18 HE2 LYS 18 16.714 -13.435 32.761 147 HE3 LYS 18 HE1 LYS 18 16.154 -12.706 31.258 148 HZ1 LYS 18 HZ1 LYS 18 14.573 -13.666 33.249 149 HZ2 LYS 18 HZ2 LYS 18 14.533 -14.914 32.098 150 HZ3 LYS 18 HZ3 LYS 18 14.074 -13.338 31.662 151 HA PRO 19 HA PRO 19 13.580 -18.996 27.057 152 HB2 PRO 19 HB2 PRO 19 13.718 -19.121 24.309 153 HB3 PRO 19 HB1 PRO 19 12.233 -18.740 25.203 154 HG2 PRO 19 HG2 PRO 19 14.170 -16.884 23.892 155 HG3 PRO 19 HG1 PRO 19 12.396 -16.851 23.883 156 HD2 PRO 19 HD2 PRO 19 13.836 -15.222 25.500 157 HD3 PRO 19 HD1 PRO 19 12.271 -15.895 26.012 158 H ILE 20 HN ILE 20 15.088 -20.620 26.848 159 HA ILE 20 HA ILE 20 17.857 -19.788 26.502 160 HB ILE 20 HB ILE 20 16.932 -22.599 27.096 161 HG12 ILE 20 HG12 ILE 20 17.475 -21.463 29.593 162 HG13 ILE 20 HG11 ILE 20 16.600 -20.159 28.785 163 HG21 ILE 20 HG21 ILE 20 19.338 -22.036 26.586 164 HG22 ILE 20 HG22 ILE 20 19.087 -22.780 28.164 165 HG23 ILE 20 HG23 ILE 20 19.358 -21.041 28.041 166 HD11 ILE 20 HD11 ILE 20 14.886 -21.432 29.790 167 HD12 ILE 20 HD12 ILE 20 15.661 -22.967 29.396 168 HD13 ILE 20 HD13 ILE 20 14.888 -22.022 28.127 169 H GLY 21 HN GLY 21 19.033 -20.123 24.711 170 HA2 GLY 21 HA2 GLY 21 17.896 -20.991 22.299 171 HA3 GLY 21 HA1 GLY 21 19.626 -20.848 22.604 172 H GLU 22 HN GLU 22 17.095 -22.980 21.998 173 HA GLU 22 HA GLU 22 18.769 -25.264 21.910 174 HB2 GLU 22 HB2 GLU 22 18.514 -25.054 24.403 175 HB3 GLU 22 HB1 GLU 22 16.778 -25.268 24.197 176 HG2 GLU 22 HG2 GLU 22 17.062 -27.486 23.346 177 HG3 GLU 22 HG1 GLU 22 18.800 -27.266 23.152 178 H SER 23 HN SER 23 17.462 -27.273 21.473 179 HA SER 23 HA SER 23 15.711 -26.953 19.375 180 HB2 SER 23 HB2 SER 23 15.704 -29.215 21.389 181 HB3 SER 23 HB1 SER 23 15.017 -29.273 19.768 182 HG SER 23 HG SER 23 17.036 -29.121 18.912 183 H TYR 24 HN TYR 24 15.061 -26.763 22.813 184 HA TYR 24 HA TYR 24 12.249 -27.066 22.710 185 HB2 TYR 24 HB2 TYR 24 14.051 -25.619 24.660 186 HB3 TYR 24 HB1 TYR 24 12.311 -25.790 24.890 187 HD1 TYR 24 HD2 TYR 24 11.303 -28.136 24.894 188 HD2 TYR 24 HD1 TYR 24 15.523 -27.398 25.209 189 HE1 TYR 24 HE2 TYR 24 11.635 -30.419 25.804 190 HE2 TYR 24 HE1 TYR 24 15.855 -29.682 26.117 191 HH TYR 24 HH TYR 24 13.401 -32.071 26.022 192 H LYS 25 HN LYS 25 14.375 -24.265 22.357 193 HA LYS 25 HA LYS 25 12.299 -22.316 22.250 194 HB2 LYS 25 HB2 LYS 25 14.676 -21.790 22.774 195 HB3 LYS 25 HB1 LYS 25 15.102 -22.174 21.106 196 HG2 LYS 25 HG2 LYS 25 13.710 -20.376 20.274 197 HG3 LYS 25 HG1 LYS 25 13.076 -20.060 21.888 198 HD2 LYS 25 HD2 LYS 25 15.360 -19.447 22.634 199 HD3 LYS 25 HD1 LYS 25 15.963 -19.742 21.003 200 HE2 LYS 25 HE2 LYS 25 14.468 -18.001 20.119 201 HE3 LYS 25 HE1 LYS 25 13.833 -17.714 21.737 202 HZ1 LYS 25 HZ1 LYS 25 15.481 -16.285 22.025 203 HZ2 LYS 25 HZ2 LYS 25 16.203 -16.719 20.548 204 HZ3 LYS 25 HZ3 LYS 25 16.575 -17.579 21.964 205 H ARG 26 HN ARG 26 13.047 -24.784 20.157 206 HA ARG 26 HA ARG 26 12.892 -23.629 17.616 207 HB2 ARG 26 HB2 ARG 26 13.515 -25.982 18.054 208 HB3 ARG 26 HB1 ARG 26 11.843 -26.322 18.499 209 HG2 ARG 26 HG2 ARG 26 11.084 -25.671 16.258 210 HG3 ARG 26 HG1 ARG 26 12.740 -25.269 15.802 211 HD2 ARG 26 HD2 ARG 26 12.115 -27.510 14.981 212 HD3 ARG 26 HD1 ARG 26 13.417 -27.606 16.167 213 HE ARG 26 HE ARG 26 11.949 -28.672 17.641 214 HH11 ARG 26 HH21 ARG 26 10.294 -27.357 14.902 215 HH12 ARG 26 HH22 ARG 26 8.799 -28.162 15.246 216 HH21 ARG 26 HH11 ARG 26 9.997 -29.727 18.101 217 HH22 ARG 26 HH12 ARG 26 8.630 -29.499 17.065 218 H ILE 27 HN ILE 27 10.356 -24.756 19.821 219 HA ILE 27 HA ILE 27 8.215 -24.328 18.054 220 HB ILE 27 HB ILE 27 6.780 -24.514 19.975 221 HG12 ILE 27 HG12 ILE 27 9.290 -23.799 21.519 222 HG13 ILE 27 HG11 ILE 27 7.753 -22.940 21.503 223 HG21 ILE 27 HG21 ILE 27 8.222 -26.503 19.202 224 HG22 ILE 27 HG22 ILE 27 7.498 -26.617 20.807 225 HG23 ILE 27 HG23 ILE 27 9.201 -26.193 20.638 226 HD11 ILE 27 HD11 ILE 27 6.730 -25.106 22.458 227 HD12 ILE 27 HD12 ILE 27 7.717 -24.128 23.546 228 HD13 ILE 27 HD13 ILE 27 8.392 -25.582 22.809 229 H LEU 28 HN LEU 28 9.686 -22.273 20.521 230 HA LEU 28 HA LEU 28 7.916 -20.090 20.216 231 HB2 LEU 28 HB2 LEU 28 9.784 -20.649 22.028 232 HB3 LEU 28 HB1 LEU 28 10.793 -19.663 20.981 233 HG LEU 28 HG LEU 28 9.827 -18.222 22.666 234 HD11 LEU 28 HD11 LEU 28 9.938 -17.501 20.203 235 HD12 LEU 28 HD12 LEU 28 8.912 -16.549 21.271 236 HD13 LEU 28 HD13 LEU 28 8.190 -17.726 20.181 237 HD21 LEU 28 HD21 LEU 28 7.689 -18.367 23.445 238 HD22 LEU 28 HD22 LEU 28 7.667 -19.948 22.673 239 HD23 LEU 28 HD23 LEU 28 6.995 -18.555 21.837 240 H ALA 29 HN ALA 29 11.174 -20.658 18.884 241 HA ALA 29 HA ALA 29 11.251 -18.324 17.294 242 HB1 ALA 29 HB1 ALA 29 13.215 -19.780 17.926 243 HB2 ALA 29 HB2 ALA 29 13.159 -19.298 16.231 244 HB3 ALA 29 HB3 ALA 29 12.668 -20.926 16.702 245 H LYS 30 HN LYS 30 9.919 -21.510 16.784 246 HA LYS 30 HA LYS 30 9.579 -21.390 13.991 247 HB2 LYS 30 HB2 LYS 30 9.300 -23.496 15.080 248 HB3 LYS 30 HB1 LYS 30 8.077 -22.852 16.170 249 HG2 LYS 30 HG2 LYS 30 7.429 -22.561 13.269 250 HG3 LYS 30 HG1 LYS 30 7.510 -24.224 13.839 251 HD2 LYS 30 HD2 LYS 30 5.879 -22.067 15.225 252 HD3 LYS 30 HD1 LYS 30 5.224 -23.166 14.024 253 HE2 LYS 30 HE2 LYS 30 4.836 -24.637 15.714 254 HE3 LYS 30 HE1 LYS 30 6.580 -24.811 15.902 255 HZ1 LYS 30 HZ1 LYS 30 5.786 -22.392 17.078 256 HZ2 LYS 30 HZ2 LYS 30 6.451 -23.766 17.826 257 HZ3 LYS 30 HZ3 LYS 30 4.767 -23.620 17.654 258 H LEU 31 HN LEU 31 7.608 -20.217 16.680 259 HA LEU 31 HA LEU 31 5.278 -19.622 15.266 260 HB2 LEU 31 HB2 LEU 31 5.948 -19.424 17.851 261 HB3 LEU 31 HB1 LEU 31 6.206 -17.742 17.420 262 HG LEU 31 HG LEU 31 3.928 -17.970 18.200 263 HD11 LEU 31 HD11 LEU 31 2.798 -16.937 16.416 264 HD12 LEU 31 HD12 LEU 31 3.653 -17.880 15.201 265 HD13 LEU 31 HD13 LEU 31 4.495 -16.601 16.074 266 HD21 LEU 31 HD21 LEU 31 3.044 -19.807 16.019 267 HD22 LEU 31 HD22 LEU 31 2.522 -19.709 17.695 268 HD23 LEU 31 HD23 LEU 31 4.008 -20.554 17.291 269 H GLN 32 HN GLN 32 8.235 -17.720 15.730 270 HA GLN 32 HA GLN 32 7.421 -15.331 14.567 271 HB2 GLN 32 HB2 GLN 32 10.106 -16.719 14.477 272 HB3 GLN 32 HB1 GLN 32 9.837 -15.053 13.967 273 HG2 GLN 32 HG2 GLN 32 9.047 -14.451 16.192 274 HG3 GLN 32 HG1 GLN 32 9.170 -16.129 16.721 275 HE21 GLN 32 HE21 GLN 32 10.663 -14.768 18.354 276 HE22 GLN 32 HE22 GLN 32 12.303 -14.708 17.924 277 H ARG 33 HN ARG 33 8.610 -18.303 13.021 278 HA ARG 33 HA ARG 33 8.670 -17.290 10.375 279 HB2 ARG 33 HB2 ARG 33 9.805 -19.374 11.056 280 HB3 ARG 33 HB1 ARG 33 8.234 -20.136 11.313 281 HG2 ARG 33 HG2 ARG 33 7.661 -19.885 8.970 282 HG3 ARG 33 HG1 ARG 33 9.122 -18.943 8.673 283 HD2 ARG 33 HD2 ARG 33 9.449 -21.254 7.938 284 HD3 ARG 33 HD1 ARG 33 10.497 -20.901 9.307 285 HE ARG 33 HE ARG 33 8.046 -22.009 10.219 286 HH11 ARG 33 HH21 ARG 33 10.974 -22.790 8.548 287 HH12 ARG 33 HH22 ARG 33 10.994 -24.442 9.068 288 HH21 ARG 33 HH11 ARG 33 8.067 -24.175 10.907 289 HH22 ARG 33 HH12 ARG 33 9.349 -25.226 10.402 290 H ILE 34 HN ILE 34 6.184 -19.074 12.185 291 HA ILE 34 HA ILE 34 4.297 -19.187 10.065 292 HB ILE 34 HB ILE 34 3.756 -19.212 13.044 293 HG12 ILE 34 HG12 ILE 34 5.435 -20.900 12.512 294 HG13 ILE 34 HG11 ILE 34 3.892 -21.696 12.792 295 HG21 ILE 34 HG21 ILE 34 1.823 -20.665 12.258 296 HG22 ILE 34 HG22 ILE 34 2.208 -20.147 10.618 297 HG23 ILE 34 HG23 ILE 34 1.715 -18.959 11.822 298 HD11 ILE 34 HD11 ILE 34 3.599 -21.482 10.195 299 HD12 ILE 34 HD12 ILE 34 4.645 -22.738 10.833 300 HD13 ILE 34 HD13 ILE 34 5.345 -21.260 10.193 301 H HIS 35 HN HIS 35 4.811 -16.913 12.738 302 HA HIS 35 HA HIS 35 2.592 -15.306 12.529 303 HB2 HIS 35 HB2 HIS 35 4.351 -14.978 14.213 304 HB3 HIS 35 HB1 HIS 35 5.452 -14.408 12.958 305 HD2 HIS 35 HD2 HIS 35 2.565 -13.046 15.157 306 HE1 HIS 35 HE1 HIS 35 3.561 -10.014 12.394 307 HE2 HIS 35 HE2 HIS 35 2.226 -10.546 14.487 308 H ASN 36 HN ASN 36 5.688 -14.651 10.853 309 HA ASN 36 HA ASN 36 4.575 -12.687 9.128 310 HB2 ASN 36 HB2 ASN 36 6.959 -12.737 9.612 311 HB3 ASN 36 HB1 ASN 36 7.104 -14.328 8.866 312 HD21 ASN 36 HD21 ASN 36 8.586 -13.488 7.218 313 HD22 ASN 36 HD22 ASN 36 8.017 -12.509 5.953 314 H SER 37 HN SER 37 5.236 -16.141 8.749 315 HA SER 37 HA SER 37 4.217 -16.172 6.025 316 HB2 SER 37 HB2 SER 37 5.056 -18.527 7.716 317 HB3 SER 37 HB1 SER 37 4.920 -18.449 5.963 318 HG SER 37 HG SER 37 6.505 -16.478 6.822 319 H ASN 38 HN ASN 38 2.533 -15.578 8.498 320 HA ASN 38 HA ASN 38 0.824 -17.565 9.252 321 HB2 ASN 38 HB2 ASN 38 -0.921 -15.858 9.490 322 HB3 ASN 38 HB1 ASN 38 0.633 -15.241 10.043 323 HD21 ASN 38 HD21 ASN 38 -1.374 -13.412 9.237 324 HD22 ASN 38 HD22 ASN 38 -0.907 -12.685 7.776 325 H ILE 39 HN ILE 39 -0.335 -18.999 8.196 326 HA ILE 39 HA ILE 39 -1.317 -20.101 6.422 327 HB ILE 39 HB ILE 39 -2.804 -17.516 6.021 328 HG12 ILE 39 HG12 ILE 39 -3.122 -19.508 8.250 329 HG13 ILE 39 HG11 ILE 39 -2.590 -17.842 8.432 330 HG21 ILE 39 HG21 ILE 39 -3.816 -20.357 6.103 331 HG22 ILE 39 HG22 ILE 39 -3.226 -19.610 4.618 332 HG23 ILE 39 HG23 ILE 39 -4.630 -18.937 5.448 333 HD11 ILE 39 HD11 ILE 39 -4.780 -17.147 7.358 334 HD12 ILE 39 HD12 ILE 39 -4.927 -17.863 8.963 335 HD13 ILE 39 HD13 ILE 39 -5.305 -18.821 7.532 336 H LEU 40 HN LEU 40 0.706 -20.050 5.154 337 HA LEU 40 HA LEU 40 0.437 -18.325 2.750 338 HB2 LEU 40 HB2 LEU 40 2.519 -18.204 4.518 339 HB3 LEU 40 HB1 LEU 40 3.141 -19.397 3.389 340 HG LEU 40 HG LEU 40 2.085 -16.646 2.648 341 HD11 LEU 40 HD11 LEU 40 4.541 -16.343 1.982 342 HD12 LEU 40 HD12 LEU 40 4.872 -17.791 2.932 343 HD13 LEU 40 HD13 LEU 40 4.202 -16.359 3.711 344 HD21 LEU 40 HD21 LEU 40 3.204 -17.288 0.427 345 HD22 LEU 40 HD22 LEU 40 1.682 -18.090 0.796 346 HD23 LEU 40 HD23 LEU 40 3.205 -18.940 1.033 347 H ASP 41 HN ASP 41 0.304 -19.341 0.856 348 HA ASP 41 HA ASP 41 -0.334 -21.936 0.465 349 HB2 ASP 41 HB2 ASP 41 1.276 -20.135 -1.340 350 HB3 ASP 41 HB1 ASP 41 0.629 -21.691 -1.857 351 H GLU 42 HN GLU 42 2.879 -20.689 0.999 352 HA GLU 42 HA GLU 42 4.191 -23.183 0.312 353 HB2 GLU 42 HB2 GLU 42 5.223 -20.914 -0.035 354 HB3 GLU 42 HB1 GLU 42 5.341 -20.768 1.717 355 HG2 GLU 42 HG2 GLU 42 7.461 -21.601 0.948 356 HG3 GLU 42 HG1 GLU 42 6.631 -22.955 1.710 357 H ARG 43 HN ARG 43 3.889 -21.227 3.290 358 HA ARG 43 HA ARG 43 4.918 -23.253 5.002 359 HB2 ARG 43 HB2 ARG 43 4.646 -20.667 5.388 360 HB3 ARG 43 HB1 ARG 43 3.042 -21.097 5.968 361 HG2 ARG 43 HG2 ARG 43 4.163 -21.325 7.966 362 HG3 ARG 43 HG1 ARG 43 4.486 -22.937 7.341 363 HD2 ARG 43 HD2 ARG 43 6.305 -20.531 7.037 364 HD3 ARG 43 HD1 ARG 43 6.550 -21.855 8.170 365 HE ARG 43 HE ARG 43 6.478 -23.233 5.910 366 HH11 ARG 43 HH21 ARG 43 7.960 -20.164 6.564 367 HH12 ARG 43 HH22 ARG 43 9.234 -20.385 5.414 368 HH21 ARG 43 HH11 ARG 43 8.153 -23.516 4.403 369 HH22 ARG 43 HH12 ARG 43 9.344 -22.276 4.196 370 H GLN 44 HN GLN 44 1.865 -22.806 3.530 371 HA GLN 44 HA GLN 44 0.078 -23.907 5.351 372 HB2 GLN 44 HB2 GLN 44 0.241 -23.818 2.359 373 HB3 GLN 44 HB1 GLN 44 -0.964 -24.878 3.085 374 HG2 GLN 44 HG2 GLN 44 -0.688 -21.962 3.843 375 HG3 GLN 44 HG1 GLN 44 -1.767 -22.529 2.569 376 HE21 GLN 44 HE21 GLN 44 -1.956 -21.567 5.653 377 HE22 GLN 44 HE22 GLN 44 -3.162 -22.606 6.238 378 H GLY 45 HN GLY 45 2.396 -25.518 3.215 379 HA2 GLY 45 HA2 GLY 45 1.499 -28.164 3.604 380 HA3 GLY 45 HA1 GLY 45 3.132 -27.694 3.135 381 H LEU 46 HN LEU 46 3.825 -26.138 5.324 382 HA LEU 46 HA LEU 46 4.670 -28.124 7.137 383 HB2 LEU 46 HB2 LEU 46 5.742 -25.790 6.630 384 HB3 LEU 46 HB1 LEU 46 4.621 -25.192 7.850 385 HG LEU 46 HG LEU 46 5.638 -27.397 9.155 386 HD11 LEU 46 HD11 LEU 46 7.240 -27.782 7.258 387 HD12 LEU 46 HD12 LEU 46 8.012 -27.545 8.827 388 HD13 LEU 46 HD13 LEU 46 7.990 -26.232 7.650 389 HD21 LEU 46 HD21 LEU 46 7.028 -25.833 10.433 390 HD22 LEU 46 HD22 LEU 46 5.462 -25.105 10.077 391 HD23 LEU 46 HD23 LEU 46 6.887 -24.630 9.149 392 H MET 47 HN MET 47 2.062 -25.762 7.202 393 HA MET 47 HA MET 47 1.237 -25.731 9.784 394 HB2 MET 47 HB2 MET 47 0.141 -24.664 7.733 395 HB3 MET 47 HB1 MET 47 -0.728 -26.187 7.539 396 HG2 MET 47 HG2 MET 47 -1.568 -25.961 9.879 397 HG3 MET 47 HG1 MET 47 -0.776 -24.389 9.974 398 HE1 MET 47 HE1 MET 47 -2.806 -21.965 8.131 399 HE2 MET 47 HE2 MET 47 -1.143 -22.542 8.046 400 HE3 MET 47 HE3 MET 47 -1.918 -22.338 9.615 401 H HIS 48 HN HIS 48 0.917 -28.420 7.538 402 HA HIS 48 HA HIS 48 -0.756 -29.971 9.316 403 HB2 HIS 48 HB2 HIS 48 -0.917 -30.205 6.867 404 HB3 HIS 48 HB1 HIS 48 0.746 -30.795 6.822 405 HD2 HIS 48 HD2 HIS 48 0.971 -33.523 7.262 406 HE1 HIS 48 HE1 HIS 48 -2.909 -34.180 8.789 407 HE2 HIS 48 HE2 HIS 48 -0.748 -35.309 8.081 408 H GLU 49 HN GLU 49 2.506 -30.547 7.966 409 HA GLU 49 HA GLU 49 3.179 -32.608 9.776 410 HB2 GLU 49 HB2 GLU 49 4.903 -30.749 8.128 411 HB3 GLU 49 HB1 GLU 49 5.537 -32.120 9.041 412 HG2 GLU 49 HG2 GLU 49 4.175 -33.670 7.771 413 HG3 GLU 49 HG1 GLU 49 3.360 -32.341 6.946 414 H LEU 50 HN LEU 50 3.172 -29.180 10.080 415 HA LEU 50 HA LEU 50 5.115 -28.842 12.076 416 HB2 LEU 50 HB2 LEU 50 4.207 -26.926 10.883 417 HB3 LEU 50 HB1 LEU 50 2.601 -27.252 11.520 418 HG LEU 50 HG LEU 50 3.359 -26.777 13.790 419 HD11 LEU 50 HD11 LEU 50 6.066 -26.729 12.462 420 HD12 LEU 50 HD12 LEU 50 5.571 -27.537 13.950 421 HD13 LEU 50 HD13 LEU 50 5.791 -25.794 13.930 422 HD21 LEU 50 HD21 LEU 50 4.597 -24.516 12.278 423 HD22 LEU 50 HD22 LEU 50 3.379 -24.483 13.550 424 HD23 LEU 50 HD23 LEU 50 2.923 -24.909 11.906 425 H MET 51 HN MET 51 1.675 -29.616 12.221 426 HA MET 51 HA MET 51 1.320 -29.390 14.998 427 HB2 MET 51 HB2 MET 51 -0.058 -31.050 12.887 428 HB3 MET 51 HB1 MET 51 -0.554 -31.092 14.578 429 HG2 MET 51 HG2 MET 51 -0.957 -28.681 14.558 430 HG3 MET 51 HG1 MET 51 -0.377 -28.580 12.894 431 HE1 MET 51 HE1 MET 51 -2.835 -31.571 14.370 432 HE2 MET 51 HE2 MET 51 -4.166 -30.439 14.562 433 HE3 MET 51 HE3 MET 51 -2.627 -30.117 15.355 434 H GLU 52 HN GLU 52 2.516 -32.042 12.994 435 HA GLU 52 HA GLU 52 2.517 -34.074 14.930 436 HB2 GLU 52 HB2 GLU 52 4.371 -33.590 12.590 437 HB3 GLU 52 HB1 GLU 52 4.350 -35.073 13.542 438 HG2 GLU 52 HG2 GLU 52 2.010 -35.457 12.958 439 HG3 GLU 52 HG1 GLU 52 1.956 -33.931 12.078 440 H LEU 53 HN LEU 53 5.095 -31.769 14.039 441 HA LEU 53 HA LEU 53 6.974 -32.669 15.949 442 HB2 LEU 53 HB2 LEU 53 6.609 -30.143 14.360 443 HB3 LEU 53 HB1 LEU 53 7.822 -30.186 15.637 444 HG LEU 53 HG LEU 53 8.894 -32.128 14.602 445 HD11 LEU 53 HD11 LEU 53 7.007 -33.265 13.638 446 HD12 LEU 53 HD12 LEU 53 8.068 -32.818 12.303 447 HD13 LEU 53 HD13 LEU 53 6.618 -31.876 12.629 448 HD21 LEU 53 HD21 LEU 53 9.576 -31.033 12.430 449 HD22 LEU 53 HD22 LEU 53 9.676 -29.967 13.832 450 HD23 LEU 53 HD23 LEU 53 8.321 -29.826 12.712 451 H ILE 54 HN ILE 54 4.491 -30.124 16.090 452 HA ILE 54 HA ILE 54 5.180 -29.176 18.657 453 HB ILE 54 HB ILE 54 2.612 -29.084 17.090 454 HG12 ILE 54 HG12 ILE 54 4.839 -27.779 16.511 455 HG13 ILE 54 HG11 ILE 54 3.293 -26.948 16.457 456 HG21 ILE 54 HG21 ILE 54 3.252 -27.979 19.823 457 HG22 ILE 54 HG22 ILE 54 1.856 -28.937 19.336 458 HG23 ILE 54 HG23 ILE 54 2.006 -27.262 18.806 459 HD11 ILE 54 HD11 ILE 54 3.682 -25.789 18.463 460 HD12 ILE 54 HD12 ILE 54 5.276 -25.810 17.713 461 HD13 ILE 54 HD13 ILE 54 4.903 -26.939 19.002 462 H ASP 55 HN ASP 55 2.867 -31.633 17.582 463 HA ASP 55 HA ASP 55 1.810 -32.209 20.137 464 HB2 ASP 55 HB2 ASP 55 1.957 -33.816 17.583 465 HB3 ASP 55 HB1 ASP 55 1.118 -34.379 19.030 466 H LEU 56 HN LEU 56 4.548 -33.479 18.319 467 HA LEU 56 HA LEU 56 5.116 -35.666 19.979 468 HB2 LEU 56 HB2 LEU 56 6.762 -34.003 18.092 469 HB3 LEU 56 HB1 LEU 56 7.515 -35.292 19.024 470 HG LEU 56 HG LEU 56 5.028 -35.785 17.368 471 HD11 LEU 56 HD11 LEU 56 6.702 -36.720 15.660 472 HD12 LEU 56 HD12 LEU 56 7.930 -35.786 16.517 473 HD13 LEU 56 HD13 LEU 56 6.571 -34.964 15.751 474 HD21 LEU 56 HD21 LEU 56 7.186 -37.518 18.609 475 HD22 LEU 56 HD22 LEU 56 6.158 -38.115 17.311 476 HD23 LEU 56 HD23 LEU 56 5.443 -37.617 18.835 477 H TYR 57 HN TYR 57 6.313 -32.323 20.070 478 HA TYR 57 HA TYR 57 7.955 -32.815 22.392 479 HB2 TYR 57 HB2 TYR 57 7.179 -30.391 20.783 480 HB3 TYR 57 HB1 TYR 57 7.987 -30.194 22.338 481 HD1 TYR 57 HD2 TYR 57 8.288 -32.350 19.271 482 HD2 TYR 57 HD1 TYR 57 10.321 -30.065 22.287 483 HE1 TYR 57 HE2 TYR 57 10.462 -32.872 18.200 484 HE2 TYR 57 HE1 TYR 57 12.495 -30.589 21.219 485 HH TYR 57 HH TYR 57 12.787 -31.752 18.133 486 H GLU 58 HN GLU 58 5.048 -30.829 21.819 487 HA GLU 58 HA GLU 58 4.449 -30.007 24.343 488 HB2 GLU 58 HB2 GLU 58 2.578 -30.957 22.171 489 HB3 GLU 58 HB1 GLU 58 1.999 -30.243 23.676 490 HG2 GLU 58 HG2 GLU 58 3.988 -28.893 21.833 491 HG3 GLU 58 HG1 GLU 58 2.250 -28.596 21.792 492 H GLU 59 HN GLU 59 4.563 -33.252 23.269 493 HA GLU 59 HA GLU 59 2.778 -34.354 25.199 494 HB2 GLU 59 HB2 GLU 59 3.619 -35.449 23.049 495 HB3 GLU 59 HB1 GLU 59 5.124 -35.764 23.915 496 HG2 GLU 59 HG2 GLU 59 2.420 -36.612 24.986 497 HG3 GLU 59 HG1 GLU 59 3.406 -37.648 23.959 498 H SER 60 HN SER 60 6.358 -34.342 25.018 499 HA SER 60 HA SER 60 6.530 -34.983 27.876 500 HB2 SER 60 HB2 SER 60 8.662 -34.791 25.736 501 HB3 SER 60 HB1 SER 60 8.942 -35.280 27.405 502 HG SER 60 HG SER 60 8.567 -37.167 26.436 503 H GLN 61 HN GLN 61 6.644 -32.208 25.888 504 HA GLN 61 HA GLN 61 8.601 -30.658 27.217 505 HB2 GLN 61 HB2 GLN 61 6.832 -30.284 25.059 506 HB3 GLN 61 HB1 GLN 61 6.379 -29.033 26.194 507 HG2 GLN 61 HG2 GLN 61 9.170 -29.548 25.124 508 HG3 GLN 61 HG1 GLN 61 8.113 -28.201 24.691 509 HE21 GLN 61 HE21 GLN 61 10.346 -29.400 27.088 510 HE22 GLN 61 HE22 GLN 61 10.258 -28.057 28.123 511 HA PRO 62 HA PRO 62 5.269 -29.218 30.194 512 HB2 PRO 62 HB2 PRO 62 2.674 -30.016 29.858 513 HB3 PRO 62 HB1 PRO 62 3.408 -28.719 28.894 514 HG2 PRO 62 HG2 PRO 62 2.626 -31.406 28.048 515 HG3 PRO 62 HG1 PRO 62 3.045 -29.995 27.065 516 HD2 PRO 62 HD2 PRO 62 4.771 -32.290 27.799 517 HD3 PRO 62 HD1 PRO 62 5.041 -31.011 26.588 518 H SER 63 HN SER 63 6.361 -30.528 31.657 519 HA SER 63 HA SER 63 5.408 -33.171 32.365 520 HB2 SER 63 HB2 SER 63 7.814 -32.604 32.482 521 HB3 SER 63 HB1 SER 63 7.458 -31.381 33.699 522 HG SER 63 HG SER 63 6.913 -34.163 33.890 523 H SER 64 HN SER 64 4.427 -30.041 32.999 524 HA SER 64 HA SER 64 3.345 -30.712 35.679 525 HB2 SER 64 HB2 SER 64 3.017 -28.267 35.925 526 HB3 SER 64 HB1 SER 64 4.708 -28.697 35.678 527 HG SER 64 HG SER 64 4.668 -27.768 33.770 528 H GLU 65 HN GLU 65 2.345 -31.328 32.822 529 HA GLU 65 HA GLU 65 0.325 -31.474 31.742 530 HB2 GLU 65 HB2 GLU 65 -0.651 -30.952 34.557 531 HB3 GLU 65 HB1 GLU 65 -1.698 -31.418 33.218 532 HG2 GLU 65 HG2 GLU 65 -0.466 -33.498 32.918 533 HG3 GLU 65 HG1 GLU 65 0.696 -33.022 34.156 534 H ARG 66 HN ARG 66 1.703 -28.893 31.924 535 HA ARG 66 HA ARG 66 -0.334 -26.859 32.138 536 HB2 ARG 66 HB2 ARG 66 1.439 -25.319 31.455 537 HB3 ARG 66 HB1 ARG 66 1.998 -26.380 32.747 538 HG2 ARG 66 HG2 ARG 66 3.060 -27.851 31.055 539 HG3 ARG 66 HG1 ARG 66 2.544 -26.739 29.786 540 HD2 ARG 66 HD2 ARG 66 3.824 -24.922 30.883 541 HD3 ARG 66 HD1 ARG 66 4.381 -26.070 32.097 542 HE ARG 66 HE ARG 66 5.008 -27.122 29.575 543 HH11 ARG 66 HH21 ARG 66 5.774 -24.425 31.599 544 HH12 ARG 66 HH22 ARG 66 7.388 -24.255 30.996 545 HH21 ARG 66 HH11 ARG 66 7.118 -26.906 28.776 546 HH22 ARG 66 HH12 ARG 66 8.151 -25.661 29.396 547 H LEU 67 HN LEU 67 0.658 -29.021 29.717 548 HA LEU 67 HA LEU 67 0.571 -27.755 27.321 549 HB2 LEU 67 HB2 LEU 67 -0.672 -29.752 26.428 550 HB3 LEU 67 HB1 LEU 67 0.762 -30.136 27.362 551 HG LEU 67 HG LEU 67 -1.491 -29.969 29.187 552 HD11 LEU 67 HD11 LEU 67 -1.895 -31.873 26.858 553 HD12 LEU 67 HD12 LEU 67 -2.900 -30.469 27.224 554 HD13 LEU 67 HD13 LEU 67 -2.852 -31.834 28.338 555 HD21 LEU 67 HD21 LEU 67 0.666 -31.280 29.437 556 HD22 LEU 67 HD22 LEU 67 0.022 -32.431 28.267 557 HD23 LEU 67 HD23 LEU 67 -0.800 -32.192 29.808 558 H ASN 68 HN ASN 68 -1.970 -27.863 29.638 559 HA ASN 68 HA ASN 68 -4.271 -27.567 28.144 560 HB2 ASN 68 HB2 ASN 68 -3.399 -26.305 30.744 561 HB3 ASN 68 HB1 ASN 68 -5.003 -26.023 30.069 562 HD21 ASN 68 HD21 ASN 68 -4.634 -27.403 32.560 563 HD22 ASN 68 HD22 ASN 68 -5.118 -29.016 32.348 564 H ALA 69 HN ALA 69 -1.640 -25.321 28.646 565 HA ALA 69 HA ALA 69 -3.052 -23.060 27.495 566 HB1 ALA 69 HB1 ALA 69 -0.172 -23.481 28.323 567 HB2 ALA 69 HB2 ALA 69 -1.410 -22.568 29.186 568 HB3 ALA 69 HB3 ALA 69 -0.786 -21.972 27.648 569 H PHE 70 HN PHE 70 -0.316 -25.150 26.553 570 HA PHE 70 HA PHE 70 0.053 -24.018 23.989 571 HB2 PHE 70 HB2 PHE 70 0.765 -26.726 25.120 572 HB3 PHE 70 HB1 PHE 70 1.220 -26.211 23.494 573 HD1 PHE 70 HD1 PHE 70 2.736 -24.282 23.163 574 HD2 PHE 70 HD2 PHE 70 1.840 -25.797 27.081 575 HE1 PHE 70 HE1 PHE 70 4.675 -23.043 24.085 576 HE2 PHE 70 HE2 PHE 70 3.780 -24.557 28.004 577 HZ PHE 70 HZ PHE 70 5.197 -23.180 26.505 578 H ARG 71 HN ARG 71 -1.987 -26.619 25.179 579 HA ARG 71 HA ARG 71 -2.788 -27.872 22.873 580 HB2 ARG 71 HB2 ARG 71 -3.544 -28.492 25.152 581 HB3 ARG 71 HB1 ARG 71 -4.596 -27.077 25.166 582 HG2 ARG 71 HG2 ARG 71 -5.837 -27.928 23.248 583 HG3 ARG 71 HG1 ARG 71 -4.734 -29.297 23.106 584 HD2 ARG 71 HD2 ARG 71 -6.748 -30.020 24.267 585 HD3 ARG 71 HD1 ARG 71 -5.396 -30.024 25.396 586 HE ARG 71 HE ARG 71 -6.783 -27.528 25.469 587 HH11 ARG 71 HH21 ARG 71 -6.939 -30.850 26.427 588 HH12 ARG 71 HH22 ARG 71 -7.922 -30.546 27.820 589 HH21 ARG 71 HH11 ARG 71 -8.074 -27.122 27.295 590 HH22 ARG 71 HH12 ARG 71 -8.565 -28.435 28.311 591 H GLU 72 HN GLU 72 -3.506 -24.649 23.962 592 HA GLU 72 HA GLU 72 -5.738 -24.151 22.267 593 HB2 GLU 72 HB2 GLU 72 -3.715 -22.274 23.512 594 HB3 GLU 72 HB1 GLU 72 -5.153 -21.742 22.644 595 HG2 GLU 72 HG2 GLU 72 -6.587 -22.939 24.223 596 HG3 GLU 72 HG1 GLU 72 -5.170 -23.556 25.071 597 H LEU 73 HN LEU 73 -2.236 -23.826 21.909 598 HA LEU 73 HA LEU 73 -2.255 -22.481 19.423 599 HB2 LEU 73 HB2 LEU 73 -0.226 -22.593 20.773 600 HB3 LEU 73 HB1 LEU 73 -0.195 -24.348 20.629 601 HG LEU 73 HG LEU 73 0.146 -24.176 18.204 602 HD11 LEU 73 HD11 LEU 73 0.705 -21.752 17.376 603 HD12 LEU 73 HD12 LEU 73 -0.282 -21.242 18.747 604 HD13 LEU 73 HD13 LEU 73 -0.981 -22.254 17.481 605 HD21 LEU 73 HD21 LEU 73 2.124 -24.141 19.670 606 HD22 LEU 73 HD22 LEU 73 2.027 -22.383 19.769 607 HD23 LEU 73 HD23 LEU 73 2.397 -23.160 18.228 608 H ARG 74 HN ARG 74 -2.191 -25.917 20.283 609 HA ARG 74 HA ARG 74 -1.895 -26.970 17.706 610 HB2 ARG 74 HB2 ARG 74 -3.260 -28.059 20.175 611 HB3 ARG 74 HB1 ARG 74 -3.045 -28.999 18.698 612 HG2 ARG 74 HG2 ARG 74 -0.625 -28.749 18.836 613 HG3 ARG 74 HG1 ARG 74 -0.785 -27.685 20.234 614 HD2 ARG 74 HD2 ARG 74 -0.220 -29.962 20.958 615 HD3 ARG 74 HD1 ARG 74 -1.832 -29.521 21.509 616 HE ARG 74 HE ARG 74 -2.000 -30.835 18.998 617 HH11 ARG 74 HH21 ARG 74 -1.318 -31.361 22.349 618 HH12 ARG 74 HH22 ARG 74 -1.847 -33.012 22.340 619 HH21 ARG 74 HH11 ARG 74 -2.692 -32.999 18.978 620 HH22 ARG 74 HH12 ARG 74 -2.625 -33.938 20.431 621 H THR 75 HN THR 75 -4.698 -25.809 19.456 622 HA THR 75 HA THR 75 -6.685 -26.780 17.732 623 HB THR 75 HB THR 75 -6.837 -24.227 19.248 624 HG1 THR 75 HG1 THR 75 -7.019 -25.332 21.049 625 HG21 THR 75 HG21 THR 75 -9.214 -24.948 19.479 626 HG22 THR 75 HG22 THR 75 -8.846 -26.312 18.426 627 HG23 THR 75 HG23 THR 75 -8.722 -24.664 17.810 628 H GLN 76 HN GLN 76 -4.885 -23.737 17.772 629 HA GLN 76 HA GLN 76 -6.216 -22.460 15.658 630 HB2 GLN 76 HB2 GLN 76 -3.312 -22.251 16.500 631 HB3 GLN 76 HB1 GLN 76 -4.148 -21.107 15.449 632 HG2 GLN 76 HG2 GLN 76 -4.988 -21.773 18.285 633 HG3 GLN 76 HG1 GLN 76 -4.063 -20.345 17.825 634 HE21 GLN 76 HE21 GLN 76 -7.142 -21.208 18.587 635 HE22 GLN 76 HE22 GLN 76 -8.005 -20.107 17.625 636 H LEU 77 HN LEU 77 -3.331 -24.540 15.647 637 HA LEU 77 HA LEU 77 -2.903 -24.434 12.853 638 HB2 LEU 77 HB2 LEU 77 -2.065 -26.279 15.065 639 HB3 LEU 77 HB1 LEU 77 -1.753 -26.754 13.401 640 HG LEU 77 HG LEU 77 0.143 -25.513 14.540 641 HD11 LEU 77 HD11 LEU 77 -0.797 -23.831 12.229 642 HD12 LEU 77 HD12 LEU 77 -0.444 -25.538 11.962 643 HD13 LEU 77 HD13 LEU 77 0.799 -24.468 12.582 644 HD21 LEU 77 HD21 LEU 77 -1.529 -23.905 15.665 645 HD22 LEU 77 HD22 LEU 77 -1.545 -23.041 14.139 646 HD23 LEU 77 HD23 LEU 77 -0.041 -23.212 15.040 647 H GLU 78 HN GLU 78 -4.755 -26.636 14.901 648 HA GLU 78 HA GLU 78 -5.474 -28.429 12.831 649 HB2 GLU 78 HB2 GLU 78 -5.660 -28.843 15.315 650 HB3 GLU 78 HB1 GLU 78 -7.067 -27.780 15.323 651 HG2 GLU 78 HG2 GLU 78 -6.872 -30.165 13.475 652 HG3 GLU 78 HG1 GLU 78 -7.534 -30.289 15.101 653 H LYS 79 HN LYS 79 -7.064 -25.564 14.196 654 HA LYS 79 HA LYS 79 -9.372 -25.700 12.555 655 HB2 LYS 79 HB2 LYS 79 -8.083 -23.420 14.066 656 HB3 LYS 79 HB1 LYS 79 -9.624 -23.272 13.225 657 HG2 LYS 79 HG2 LYS 79 -9.193 -25.479 15.238 658 HG3 LYS 79 HG1 LYS 79 -9.629 -23.859 15.774 659 HD2 LYS 79 HD2 LYS 79 -11.637 -23.924 14.329 660 HD3 LYS 79 HD1 LYS 79 -11.217 -25.552 13.815 661 HE2 LYS 79 HE2 LYS 79 -11.382 -26.357 16.127 662 HE3 LYS 79 HE1 LYS 79 -11.776 -24.725 16.671 663 HZ1 LYS 79 HZ1 LYS 79 -13.766 -26.065 16.353 664 HZ2 LYS 79 HZ2 LYS 79 -13.351 -26.320 14.724 665 HZ3 LYS 79 HZ3 LYS 79 -13.734 -24.758 15.273 666 H ALA 80 HN ALA 80 -6.284 -24.025 12.296 667 HA ALA 80 HA ALA 80 -6.868 -22.539 9.991 668 HB1 ALA 80 HB1 ALA 80 -4.828 -22.269 11.461 669 HB2 ALA 80 HB2 ALA 80 -4.501 -22.255 9.726 670 HB3 ALA 80 HB3 ALA 80 -4.168 -23.704 10.675 671 H LEU 81 HN LEU 81 -6.218 -25.900 10.472 672 HA LEU 81 HA LEU 81 -5.276 -26.574 7.904 673 HB2 LEU 81 HB2 LEU 81 -5.599 -27.974 10.179 674 HB3 LEU 81 HB1 LEU 81 -7.072 -28.483 9.369 675 HG LEU 81 HG LEU 81 -5.332 -30.072 8.820 676 HD11 LEU 81 HD11 LEU 81 -5.553 -30.083 6.474 677 HD12 LEU 81 HD12 LEU 81 -5.527 -28.325 6.365 678 HD13 LEU 81 HD13 LEU 81 -6.947 -29.149 7.012 679 HD21 LEU 81 HD21 LEU 81 -3.548 -27.998 9.117 680 HD22 LEU 81 HD22 LEU 81 -3.590 -28.138 7.362 681 HD23 LEU 81 HD23 LEU 81 -3.158 -29.532 8.348 682 H GLY 82 HN GLY 82 -8.566 -26.367 9.225 683 HA2 GLY 82 HA2 GLY 82 -9.850 -27.195 6.804 684 HA3 GLY 82 HA1 GLY 82 -10.629 -26.417 8.180 685 H LEU 83 HN LEU 83 -8.055 -24.539 7.425 686 HA LEU 83 HA LEU 83 -7.894 -22.418 6.551 687 HB2 LEU 83 HB2 LEU 83 -9.337 -23.830 4.296 688 HB3 LEU 83 HB1 LEU 83 -8.545 -22.263 4.151 689 HG LEU 83 HG LEU 83 -7.142 -24.806 5.035 690 HD11 LEU 83 HD11 LEU 83 -7.100 -23.433 2.327 691 HD12 LEU 83 HD12 LEU 83 -7.945 -24.939 2.689 692 HD13 LEU 83 HD13 LEU 83 -6.186 -24.873 2.780 693 HD21 LEU 83 HD21 LEU 83 -5.805 -23.058 5.833 694 HD22 LEU 83 HD22 LEU 83 -6.270 -21.961 4.532 695 HD23 LEU 83 HD23 LEU 83 -5.140 -23.274 4.219 696 H GLU 84 HN GLU 84 -10.432 -23.277 8.021 697 HA GLU 84 HA GLU 84 -12.617 -21.842 6.920 698 HB2 GLU 84 HB2 GLU 84 -12.007 -22.592 9.792 699 HB3 GLU 84 HB1 GLU 84 -13.563 -21.999 9.210 700 HG2 GLU 84 HG2 GLU 84 -12.179 -24.483 8.163 701 HG3 GLU 84 HG1 GLU 84 -13.466 -24.493 9.367 702 H HIS 85 HN HIS 85 -13.059 -19.726 6.901 703 HA HIS 85 HA HIS 85 -11.909 -17.924 8.884 704 HB2 HIS 85 HB2 HIS 85 -10.812 -16.485 7.292 705 HB3 HIS 85 HB1 HIS 85 -10.183 -18.117 7.070 706 HD2 HIS 85 HD2 HIS 85 -12.191 -15.446 5.075 707 HE1 HIS 85 HE1 HIS 85 -11.959 -18.905 2.664 708 HE2 HIS 85 HE2 HIS 85 -12.627 -16.455 2.706 709 H HIS 86 HN HIS 86 -14.200 -18.747 6.472 710 HA HIS 86 HA HIS 86 -15.463 -16.154 6.315 711 HB2 HIS 86 HB2 HIS 86 -15.561 -17.796 4.456 712 HB3 HIS 86 HB1 HIS 86 -16.513 -18.868 5.482 713 HD2 HIS 86 HD2 HIS 86 -16.957 -15.485 3.527 714 HE1 HIS 86 HE1 HIS 86 -20.722 -16.628 5.060 715 HE2 HIS 86 HE2 HIS 86 -19.518 -14.975 3.553 716 H HIS 87 HN HIS 87 -15.919 -15.605 8.474 717 HA HIS 87 HA HIS 87 -17.515 -17.355 10.134 718 HB2 HIS 87 HB2 HIS 87 -15.891 -15.846 11.165 719 HB3 HIS 87 HB1 HIS 87 -16.733 -14.451 10.490 720 HD2 HIS 87 HD2 HIS 87 -18.792 -13.514 12.096 721 HE1 HIS 87 HE1 HIS 87 -19.113 -16.866 14.641 722 HE2 HIS 87 HE2 HIS 87 -19.954 -14.509 14.211 723 H HIS 88 HN HIS 88 -18.082 -14.142 8.659 724 HA HIS 88 HA HIS 88 -20.705 -14.778 7.787 725 HB2 HIS 88 HB2 HIS 88 -21.266 -14.766 10.152 726 HB3 HIS 88 HB1 HIS 88 -20.500 -13.191 10.357 727 HD2 HIS 88 HD2 HIS 88 -22.196 -11.054 9.868 728 HE1 HIS 88 HE1 HIS 88 -25.286 -13.202 7.955 729 HE2 HIS 88 HE2 HIS 88 -24.593 -10.925 8.841 730 H HIS 89 HN HIS 89 -19.112 -13.758 6.158 731 HA HIS 89 HA HIS 89 -18.596 -10.967 6.246 732 HB2 HIS 89 HB2 HIS 89 -18.583 -13.025 4.042 733 HB3 HIS 89 HB1 HIS 89 -18.244 -11.325 3.718 734 HD2 HIS 89 HD2 HIS 89 -15.900 -10.315 5.156 735 HE1 HIS 89 HE1 HIS 89 -14.326 -14.164 5.875 736 HE2 HIS 89 HE2 HIS 89 -13.811 -11.680 5.924 737 H HIS 90 HN HIS 90 -21.232 -12.855 4.762 738 HA HIS 90 HA HIS 90 -22.407 -10.640 3.418 739 HB2 HIS 90 HB2 HIS 90 -23.663 -13.235 4.346 740 HB3 HIS 90 HB1 HIS 90 -24.413 -12.079 3.244 741 HD2 HIS 90 HD2 HIS 90 -21.909 -15.004 3.110 742 HE1 HIS 90 HE1 HIS 90 -21.690 -13.060 -0.631 743 HE2 HIS 90 HE2 HIS 90 -20.988 -15.126 0.671 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -1.125 -13.303 11.900 2 H2 MET 1 HT2 MET 1 -0.475 -12.437 10.592 3 H3 MET 1 HT3 MET 1 -1.936 -13.284 10.410 4 HA MET 1 HA MET 1 -1.532 -10.973 12.228 5 HB2 MET 1 HB2 MET 1 -2.795 -11.200 9.484 6 HB3 MET 1 HB1 MET 1 -3.035 -9.819 10.555 7 HG2 MET 1 HG2 MET 1 -0.581 -9.462 10.618 8 HG3 MET 1 HG1 MET 1 -0.367 -10.807 9.502 9 HE1 MET 1 HE1 MET 1 -1.581 -9.751 6.187 10 HE2 MET 1 HE2 MET 1 -2.785 -10.431 7.276 11 HE3 MET 1 HE3 MET 1 -1.129 -11.028 7.323 12 H GLY 2 HN GLY 2 -3.525 -13.547 10.922 13 HA2 GLY 2 HA2 GLY 2 -6.006 -12.776 12.040 14 HA3 GLY 2 HA1 GLY 2 -5.553 -14.415 11.583 15 H VAL 3 HN VAL 3 -3.418 -14.897 13.262 16 HA VAL 3 HA VAL 3 -4.191 -14.291 16.001 17 HB VAL 3 HB VAL 3 -5.663 -16.187 15.420 18 HG11 VAL 3 HG11 VAL 3 -3.147 -17.831 15.103 19 HG12 VAL 3 HG12 VAL 3 -3.966 -17.111 13.720 20 HG13 VAL 3 HG13 VAL 3 -4.804 -18.293 14.726 21 HG21 VAL 3 HG21 VAL 3 -5.123 -17.522 17.348 22 HG22 VAL 3 HG22 VAL 3 -4.620 -15.871 17.715 23 HG23 VAL 3 HG23 VAL 3 -3.420 -17.076 17.250 24 H TRP 4 HN TRP 4 -2.403 -14.049 17.159 25 HA TRP 4 HA TRP 4 0.037 -15.558 16.408 26 HB2 TRP 4 HB2 TRP 4 1.355 -13.564 16.934 27 HB3 TRP 4 HB1 TRP 4 0.243 -13.266 15.608 28 HD1 TRP 4 HD1 TRP 4 0.512 -12.692 19.409 29 HE1 TRP 4 HE1 TRP 4 -0.890 -10.616 20.014 30 HE3 TRP 4 HE3 TRP 4 -1.548 -11.662 14.852 31 HZ2 TRP 4 HZ2 TRP 4 -2.655 -8.762 18.734 32 HZ3 TRP 4 HZ3 TRP 4 -3.086 -9.738 14.573 33 HH2 TRP 4 HH2 TRP 4 -3.641 -8.288 16.506 34 H THR 5 HN THR 5 1.413 -16.123 18.092 35 HA THR 5 HA THR 5 0.747 -15.432 20.838 36 HB THR 5 HB THR 5 0.737 -17.979 21.380 37 HG1 THR 5 HG1 THR 5 1.287 -18.419 19.109 38 HG21 THR 5 HG21 THR 5 -1.670 -18.074 21.163 39 HG22 THR 5 HG22 THR 5 -1.654 -16.850 19.900 40 HG23 THR 5 HG23 THR 5 -1.234 -16.414 21.554 41 HA PRO 6 HA PRO 6 5.220 -16.393 19.897 42 HB2 PRO 6 HB2 PRO 6 6.243 -13.898 19.876 43 HB3 PRO 6 HB1 PRO 6 5.422 -14.568 18.451 44 HG2 PRO 6 HG2 PRO 6 4.393 -12.657 20.495 45 HG3 PRO 6 HG1 PRO 6 4.151 -12.660 18.741 46 HD2 PRO 6 HD2 PRO 6 2.301 -13.639 20.591 47 HD3 PRO 6 HD1 PRO 6 2.361 -14.099 18.886 48 H GLU 7 HN GLU 7 7.184 -15.290 21.247 49 HA GLU 7 HA GLU 7 7.124 -16.092 23.828 50 HB2 GLU 7 HB2 GLU 7 8.512 -13.642 22.723 51 HB3 GLU 7 HB1 GLU 7 8.844 -14.332 24.312 52 HG2 GLU 7 HG2 GLU 7 9.483 -16.460 23.286 53 HG3 GLU 7 HG1 GLU 7 9.091 -15.826 21.687 54 H VAL 8 HN VAL 8 5.329 -13.455 22.552 55 HA VAL 8 HA VAL 8 5.029 -11.758 24.755 56 HB VAL 8 HB VAL 8 3.120 -12.565 22.546 57 HG11 VAL 8 HG11 VAL 8 2.824 -10.497 24.730 58 HG12 VAL 8 HG12 VAL 8 1.692 -11.770 24.271 59 HG13 VAL 8 HG13 VAL 8 1.942 -10.387 23.207 60 HG21 VAL 8 HG21 VAL 8 4.528 -9.919 22.915 61 HG22 VAL 8 HG22 VAL 8 3.832 -10.603 21.444 62 HG23 VAL 8 HG23 VAL 8 5.323 -11.270 22.108 63 H LEU 9 HN LEU 9 3.179 -14.667 23.807 64 HA LEU 9 HA LEU 9 1.424 -14.637 26.028 65 HB2 LEU 9 HB2 LEU 9 0.916 -15.974 24.048 66 HB3 LEU 9 HB1 LEU 9 2.359 -16.953 24.309 67 HG LEU 9 HG LEU 9 1.450 -17.795 26.423 68 HD11 LEU 9 HD11 LEU 9 -1.074 -17.179 26.823 69 HD12 LEU 9 HD12 LEU 9 -0.691 -15.749 25.867 70 HD13 LEU 9 HD13 LEU 9 0.180 -16.066 27.367 71 HD21 LEU 9 HD21 LEU 9 -0.471 -17.922 24.086 72 HD22 LEU 9 HD22 LEU 9 -0.580 -18.965 25.504 73 HD23 LEU 9 HD23 LEU 9 0.834 -19.050 24.455 74 H LYS 10 HN LYS 10 4.529 -16.251 25.432 75 HA LYS 10 HA LYS 10 4.653 -17.657 27.885 76 HB2 LYS 10 HB2 LYS 10 6.111 -17.967 25.788 77 HB3 LYS 10 HB1 LYS 10 7.067 -16.621 26.400 78 HG2 LYS 10 HG2 LYS 10 8.199 -18.400 27.392 79 HG3 LYS 10 HG1 LYS 10 7.036 -18.030 28.658 80 HD2 LYS 10 HD2 LYS 10 6.724 -20.333 28.465 81 HD3 LYS 10 HD1 LYS 10 5.507 -19.755 27.331 82 HE2 LYS 10 HE2 LYS 10 7.064 -20.076 25.459 83 HE3 LYS 10 HE1 LYS 10 8.321 -20.600 26.579 84 HZ1 LYS 10 HZ1 LYS 10 5.824 -21.968 25.829 85 HZ2 LYS 10 HZ2 LYS 10 6.587 -22.317 27.307 86 HZ3 LYS 10 HZ3 LYS 10 7.409 -22.570 25.842 87 H ALA 11 HN ALA 11 5.921 -14.506 26.890 88 HA ALA 11 HA ALA 11 7.201 -13.842 29.310 89 HB1 ALA 11 HB1 ALA 11 5.922 -11.901 27.376 90 HB2 ALA 11 HB2 ALA 11 7.486 -12.669 27.097 91 HB3 ALA 11 HB3 ALA 11 7.266 -11.591 28.476 92 H ARG 12 HN ARG 12 3.867 -13.753 28.320 93 HA ARG 12 HA ARG 12 2.850 -11.906 30.181 94 HB2 ARG 12 HB2 ARG 12 1.636 -12.980 28.208 95 HB3 ARG 12 HB1 ARG 12 1.418 -14.389 29.237 96 HG2 ARG 12 HG2 ARG 12 -0.558 -13.238 29.679 97 HG3 ARG 12 HG1 ARG 12 0.473 -12.631 30.972 98 HD2 ARG 12 HD2 ARG 12 0.996 -10.633 29.655 99 HD3 ARG 12 HD1 ARG 12 0.065 -11.255 28.299 100 HE ARG 12 HE ARG 12 -1.575 -11.133 30.609 101 HH11 ARG 12 HH21 ARG 12 0.036 -9.169 28.262 102 HH12 ARG 12 HH22 ARG 12 -1.103 -7.869 28.363 103 HH21 ARG 12 HH11 ARG 12 -3.078 -9.430 30.748 104 HH22 ARG 12 HH12 ARG 12 -2.868 -8.017 29.770 105 H ALA 13 HN ALA 13 3.243 -15.434 30.387 106 HA ALA 13 HA ALA 13 2.466 -15.450 33.204 107 HB1 ALA 13 HB1 ALA 13 3.522 -17.771 31.589 108 HB2 ALA 13 HB2 ALA 13 1.835 -17.261 31.522 109 HB3 ALA 13 HB3 ALA 13 2.530 -17.819 33.046 110 H SER 14 HN SER 14 5.326 -15.932 31.198 111 HA SER 14 HA SER 14 7.048 -16.474 33.470 112 HB2 SER 14 HB2 SER 14 7.912 -15.885 30.641 113 HB3 SER 14 HB1 SER 14 8.781 -16.790 31.878 114 HG SER 14 HG SER 14 6.469 -17.507 30.419 115 H VAL 15 HN VAL 15 5.588 -13.775 32.467 116 HA VAL 15 HA VAL 15 5.935 -11.533 32.788 117 HB VAL 15 HB VAL 15 8.359 -12.358 34.396 118 HG11 VAL 15 HG11 VAL 15 7.861 -10.263 35.608 119 HG12 VAL 15 HG12 VAL 15 6.520 -9.950 34.506 120 HG13 VAL 15 HG13 VAL 15 8.177 -9.958 33.901 121 HG21 VAL 15 HG21 VAL 15 6.807 -12.378 36.330 122 HG22 VAL 15 HG22 VAL 15 6.384 -13.616 35.146 123 HG23 VAL 15 HG23 VAL 15 5.451 -12.121 35.231 124 H ILE 16 HN ILE 16 9.286 -12.754 32.752 125 HA ILE 16 HA ILE 16 9.862 -10.919 30.494 126 HB ILE 16 HB ILE 16 11.132 -10.544 32.603 127 HG12 ILE 16 HG12 ILE 16 12.912 -11.648 30.414 128 HG13 ILE 16 HG11 ILE 16 12.057 -10.113 30.267 129 HG21 ILE 16 HG21 ILE 16 12.426 -13.216 32.017 130 HG22 ILE 16 HG22 ILE 16 11.127 -13.028 33.194 131 HG23 ILE 16 HG23 ILE 16 12.659 -12.187 33.431 132 HD11 ILE 16 HD11 ILE 16 14.439 -9.930 31.125 133 HD12 ILE 16 HD12 ILE 16 13.895 -10.761 32.583 134 HD13 ILE 16 HD13 ILE 16 13.216 -9.190 32.158 135 H GLY 17 HN GLY 17 10.578 -11.715 28.602 136 HA2 GLY 17 HA2 GLY 17 10.188 -14.341 27.830 137 HA3 GLY 17 HA1 GLY 17 11.266 -13.223 26.998 138 H LYS 18 HN LYS 18 11.563 -16.105 27.468 139 HA LYS 18 HA LYS 18 14.311 -16.075 28.357 140 HB2 LYS 18 HB2 LYS 18 13.072 -16.238 30.505 141 HB3 LYS 18 HB1 LYS 18 12.299 -17.712 29.918 142 HG2 LYS 18 HG2 LYS 18 14.439 -18.835 29.736 143 HG3 LYS 18 HG1 LYS 18 15.299 -17.344 30.121 144 HD2 LYS 18 HD2 LYS 18 14.432 -17.325 32.364 145 HD3 LYS 18 HD1 LYS 18 13.313 -18.639 32.002 146 HE2 LYS 18 HE2 LYS 18 15.077 -20.227 31.809 147 HE3 LYS 18 HE1 LYS 18 16.307 -18.964 31.743 148 HZ1 LYS 18 HZ1 LYS 18 16.150 -20.056 33.928 149 HZ2 LYS 18 HZ2 LYS 18 14.557 -19.486 34.083 150 HZ3 LYS 18 HZ3 LYS 18 15.852 -18.389 34.007 151 HA PRO 19 HA PRO 19 13.149 -19.087 24.997 152 HB2 PRO 19 HB2 PRO 19 15.927 -18.347 24.172 153 HB3 PRO 19 HB1 PRO 19 14.452 -18.447 23.192 154 HG2 PRO 19 HG2 PRO 19 15.496 -16.092 23.885 155 HG3 PRO 19 HG1 PRO 19 13.739 -16.338 23.813 156 HD2 PRO 19 HD2 PRO 19 15.523 -16.200 26.225 157 HD3 PRO 19 HD1 PRO 19 13.868 -15.584 26.011 158 H ILE 20 HN ILE 20 13.750 -21.222 24.858 159 HA ILE 20 HA ILE 20 15.250 -22.329 27.009 160 HB ILE 20 HB ILE 20 13.362 -23.510 25.950 161 HG12 ILE 20 HG12 ILE 20 15.926 -25.061 25.506 162 HG13 ILE 20 HG11 ILE 20 15.311 -24.693 27.121 163 HG21 ILE 20 HG21 ILE 20 15.190 -24.082 23.615 164 HG22 ILE 20 HG22 ILE 20 14.101 -22.693 23.600 165 HG23 ILE 20 HG23 ILE 20 13.447 -24.324 23.731 166 HD11 ILE 20 HD11 ILE 20 13.193 -25.844 26.578 167 HD12 ILE 20 HD12 ILE 20 14.565 -26.933 26.382 168 HD13 ILE 20 HD13 ILE 20 13.801 -26.214 24.965 169 H GLY 21 HN GLY 21 17.153 -23.570 26.908 170 HA2 GLY 21 HA2 GLY 21 19.191 -22.440 25.196 171 HA3 GLY 21 HA1 GLY 21 19.435 -23.630 26.473 172 H GLU 22 HN GLU 22 20.589 -23.682 23.835 173 HA GLU 22 HA GLU 22 21.176 -25.321 22.327 174 HB2 GLU 22 HB2 GLU 22 18.925 -26.987 23.472 175 HB3 GLU 22 HB1 GLU 22 20.221 -27.539 22.436 176 HG2 GLU 22 HG2 GLU 22 20.656 -26.308 25.164 177 HG3 GLU 22 HG1 GLU 22 20.617 -28.039 24.854 178 H SER 23 HN SER 23 20.098 -26.626 20.454 179 HA SER 23 HA SER 23 18.634 -24.785 18.893 180 HB2 SER 23 HB2 SER 23 20.124 -26.716 18.097 181 HB3 SER 23 HB1 SER 23 18.723 -27.751 18.359 182 HG SER 23 HG SER 23 17.698 -26.791 16.742 183 H TYR 24 HN TYR 24 17.633 -27.060 21.246 184 HA TYR 24 HA TYR 24 15.128 -27.884 20.441 185 HB2 TYR 24 HB2 TYR 24 16.209 -27.076 23.138 186 HB3 TYR 24 HB1 TYR 24 14.542 -27.620 22.958 187 HD1 TYR 24 HD2 TYR 24 18.059 -28.611 22.114 188 HD2 TYR 24 HD1 TYR 24 14.057 -29.923 22.947 189 HE1 TYR 24 HE2 TYR 24 18.835 -30.961 22.118 190 HE2 TYR 24 HE1 TYR 24 14.831 -32.279 22.941 191 HH TYR 24 HH TYR 24 17.771 -33.245 23.358 192 H LYS 25 HN LYS 25 16.210 -24.710 20.793 193 HA LYS 25 HA LYS 25 13.673 -23.501 21.457 194 HB2 LYS 25 HB2 LYS 25 14.832 -21.401 21.145 195 HB3 LYS 25 HB1 LYS 25 15.876 -22.489 22.058 196 HG2 LYS 25 HG2 LYS 25 17.051 -23.086 19.947 197 HG3 LYS 25 HG1 LYS 25 16.060 -21.908 19.086 198 HD2 LYS 25 HD2 LYS 25 16.895 -20.143 20.664 199 HD3 LYS 25 HD1 LYS 25 18.003 -21.339 21.335 200 HE2 LYS 25 HE2 LYS 25 17.908 -20.577 18.404 201 HE3 LYS 25 HE1 LYS 25 19.047 -19.896 19.566 202 HZ1 LYS 25 HZ1 LYS 25 20.310 -21.691 19.418 203 HZ2 LYS 25 HZ2 LYS 25 19.330 -22.235 18.140 204 HZ3 LYS 25 HZ3 LYS 25 19.003 -22.726 19.733 205 H ARG 26 HN ARG 26 14.585 -25.133 18.847 206 HA ARG 26 HA ARG 26 14.018 -23.435 16.662 207 HB2 ARG 26 HB2 ARG 26 15.199 -25.594 16.457 208 HB3 ARG 26 HB1 ARG 26 13.706 -26.436 16.871 209 HG2 ARG 26 HG2 ARG 26 12.591 -25.486 14.899 210 HG3 ARG 26 HG1 ARG 26 14.045 -24.571 14.501 211 HD2 ARG 26 HD2 ARG 26 13.942 -26.595 13.138 212 HD3 ARG 26 HD1 ARG 26 15.292 -26.703 14.264 213 HE ARG 26 HE ARG 26 12.981 -27.877 15.421 214 HH11 ARG 26 HH21 ARG 26 15.348 -28.339 12.938 215 HH12 ARG 26 HH22 ARG 26 15.268 -30.068 12.992 216 HH21 ARG 26 HH11 ARG 26 12.872 -30.144 15.497 217 HH22 ARG 26 HH12 ARG 26 13.866 -31.090 14.440 218 H ILE 27 HN ILE 27 12.017 -25.582 18.644 219 HA ILE 27 HA ILE 27 9.670 -25.370 17.122 220 HB ILE 27 HB ILE 27 10.080 -27.021 18.972 221 HG12 ILE 27 HG12 ILE 27 7.744 -26.906 19.871 222 HG13 ILE 27 HG11 ILE 27 7.595 -25.328 19.115 223 HG21 ILE 27 HG21 ILE 27 9.272 -24.770 20.805 224 HG22 ILE 27 HG22 ILE 27 10.959 -25.203 20.526 225 HG23 ILE 27 HG23 ILE 27 9.855 -26.375 21.244 226 HD11 ILE 27 HD11 ILE 27 7.497 -26.194 16.978 227 HD12 ILE 27 HD12 ILE 27 6.798 -27.547 17.861 228 HD13 ILE 27 HD13 ILE 27 8.490 -27.594 17.379 229 H LEU 28 HN LEU 28 10.921 -23.443 19.808 230 HA LEU 28 HA LEU 28 8.670 -21.698 19.945 231 HB2 LEU 28 HB2 LEU 28 10.249 -22.039 21.832 232 HB3 LEU 28 HB1 LEU 28 11.505 -21.226 20.902 233 HG LEU 28 HG LEU 28 10.094 -19.185 20.805 234 HD11 LEU 28 HD11 LEU 28 8.157 -19.286 22.642 235 HD12 LEU 28 HD12 LEU 28 8.167 -21.001 22.233 236 HD13 LEU 28 HD13 LEU 28 7.854 -19.796 20.984 237 HD21 LEU 28 HD21 LEU 28 10.221 -18.686 23.293 238 HD22 LEU 28 HD22 LEU 28 11.712 -19.300 22.577 239 HD23 LEU 28 HD23 LEU 28 10.683 -20.371 23.527 240 H ALA 29 HN ALA 29 11.748 -21.654 18.231 241 HA ALA 29 HA ALA 29 11.718 -18.992 17.328 242 HB1 ALA 29 HB1 ALA 29 13.688 -20.465 17.170 243 HB2 ALA 29 HB2 ALA 29 13.288 -19.745 15.610 244 HB3 ALA 29 HB3 ALA 29 12.864 -21.425 15.941 245 H LYS 30 HN LYS 30 9.900 -21.764 16.313 246 HA LYS 30 HA LYS 30 9.247 -21.011 13.681 247 HB2 LYS 30 HB2 LYS 30 7.722 -22.613 15.736 248 HB3 LYS 30 HB1 LYS 30 7.164 -22.406 14.084 249 HG2 LYS 30 HG2 LYS 30 9.957 -23.408 14.612 250 HG3 LYS 30 HG1 LYS 30 8.593 -24.518 14.687 251 HD2 LYS 30 HD2 LYS 30 7.942 -23.840 12.396 252 HD3 LYS 30 HD1 LYS 30 9.346 -22.790 12.308 253 HE2 LYS 30 HE2 LYS 30 10.836 -24.711 12.631 254 HE3 LYS 30 HE1 LYS 30 9.440 -25.783 12.745 255 HZ1 LYS 30 HZ1 LYS 30 9.756 -25.995 10.549 256 HZ2 LYS 30 HZ2 LYS 30 10.641 -24.551 10.417 257 HZ3 LYS 30 HZ3 LYS 30 8.943 -24.510 10.448 258 H LEU 31 HN LEU 31 7.900 -20.068 16.781 259 HA LEU 31 HA LEU 31 5.524 -18.899 16.010 260 HB2 LEU 31 HB2 LEU 31 7.529 -18.216 18.147 261 HB3 LEU 31 HB1 LEU 31 6.125 -17.184 17.906 262 HG LEU 31 HG LEU 31 5.784 -18.977 19.633 263 HD11 LEU 31 HD11 LEU 31 3.557 -19.225 19.097 264 HD12 LEU 31 HD12 LEU 31 3.881 -19.685 17.430 265 HD13 LEU 31 HD13 LEU 31 3.958 -17.992 17.908 266 HD21 LEU 31 HD21 LEU 31 5.638 -21.285 18.975 267 HD22 LEU 31 HD22 LEU 31 7.169 -20.682 18.352 268 HD23 LEU 31 HD23 LEU 31 5.792 -20.873 17.269 269 H GLN 32 HN GLN 32 8.809 -17.661 15.674 270 HA GLN 32 HA GLN 32 8.159 -15.025 14.895 271 HB2 GLN 32 HB2 GLN 32 10.439 -15.743 15.532 272 HB3 GLN 32 HB1 GLN 32 10.532 -16.713 14.063 273 HG2 GLN 32 HG2 GLN 32 10.286 -14.712 12.682 274 HG3 GLN 32 HG1 GLN 32 10.080 -13.716 14.122 275 HE21 GLN 32 HE21 GLN 32 11.969 -12.703 14.777 276 HE22 GLN 32 HE22 GLN 32 13.538 -13.285 14.492 277 H ARG 33 HN ARG 33 8.931 -17.898 12.912 278 HA ARG 33 HA ARG 33 8.344 -16.663 10.425 279 HB2 ARG 33 HB2 ARG 33 8.631 -19.515 11.340 280 HB3 ARG 33 HB1 ARG 33 8.086 -19.166 9.703 281 HG2 ARG 33 HG2 ARG 33 10.555 -17.789 10.750 282 HG3 ARG 33 HG1 ARG 33 10.667 -19.459 10.200 283 HD2 ARG 33 HD2 ARG 33 9.721 -18.820 8.017 284 HD3 ARG 33 HD1 ARG 33 9.579 -17.152 8.552 285 HE ARG 33 HE ARG 33 12.264 -18.187 8.777 286 HH11 ARG 33 HH21 ARG 33 9.885 -16.761 6.711 287 HH12 ARG 33 HH22 ARG 33 11.042 -16.039 5.643 288 HH21 ARG 33 HH11 ARG 33 13.793 -17.239 7.380 289 HH22 ARG 33 HH12 ARG 33 13.253 -16.309 6.021 290 H ILE 34 HN ILE 34 6.414 -18.662 12.617 291 HA ILE 34 HA ILE 34 4.135 -18.865 10.959 292 HB ILE 34 HB ILE 34 4.434 -18.965 13.965 293 HG12 ILE 34 HG12 ILE 34 5.637 -20.736 12.746 294 HG13 ILE 34 HG11 ILE 34 4.275 -21.413 13.621 295 HG21 ILE 34 HG21 ILE 34 2.147 -18.449 13.601 296 HG22 ILE 34 HG22 ILE 34 2.194 -20.201 13.793 297 HG23 ILE 34 HG23 ILE 34 2.057 -19.493 12.183 298 HD11 ILE 34 HD11 ILE 34 3.054 -20.964 11.260 299 HD12 ILE 34 HD12 ILE 34 3.949 -22.441 11.583 300 HD13 ILE 34 HD13 ILE 34 4.710 -21.130 10.686 301 H HIS 35 HN HIS 35 5.054 -16.525 13.472 302 HA HIS 35 HA HIS 35 2.669 -15.028 13.476 303 HB2 HIS 35 HB2 HIS 35 4.399 -14.791 15.205 304 HB3 HIS 35 HB1 HIS 35 5.502 -14.101 14.015 305 HD2 HIS 35 HD2 HIS 35 5.310 -11.350 13.874 306 HE1 HIS 35 HE1 HIS 35 1.461 -10.932 15.557 307 HE2 HIS 35 HE2 HIS 35 3.471 -9.669 14.654 308 H ASN 36 HN ASN 36 5.732 -14.381 11.741 309 HA ASN 36 HA ASN 36 4.615 -12.214 10.227 310 HB2 ASN 36 HB2 ASN 36 7.014 -12.325 10.721 311 HB3 ASN 36 HB1 ASN 36 7.147 -13.815 9.791 312 HD21 ASN 36 HD21 ASN 36 8.705 -11.628 8.995 313 HD22 ASN 36 HD22 ASN 36 8.098 -10.993 7.543 314 H SER 37 HN SER 37 5.370 -15.605 9.545 315 HA SER 37 HA SER 37 4.272 -15.406 6.846 316 HB2 SER 37 HB2 SER 37 5.091 -18.019 8.071 317 HB3 SER 37 HB1 SER 37 5.287 -17.440 6.418 318 HG SER 37 HG SER 37 6.917 -16.083 7.117 319 H ASN 38 HN ASN 38 2.714 -15.264 9.528 320 HA ASN 38 HA ASN 38 1.067 -17.441 9.916 321 HB2 ASN 38 HB2 ASN 38 1.070 -15.195 11.157 322 HB3 ASN 38 HB1 ASN 38 0.011 -14.613 9.877 323 HD21 ASN 38 HD21 ASN 38 -1.970 -14.497 11.043 324 HD22 ASN 38 HD22 ASN 38 -2.701 -15.847 11.766 325 H ILE 39 HN ILE 39 -0.928 -18.106 9.070 326 HA ILE 39 HA ILE 39 -2.062 -18.823 7.160 327 HB ILE 39 HB ILE 39 -3.630 -17.031 6.435 328 HG12 ILE 39 HG12 ILE 39 -2.180 -15.398 8.491 329 HG13 ILE 39 HG11 ILE 39 -1.917 -15.223 6.762 330 HG21 ILE 39 HG21 ILE 39 -4.743 -16.887 8.596 331 HG22 ILE 39 HG22 ILE 39 -3.238 -17.279 9.429 332 HG23 ILE 39 HG23 ILE 39 -4.030 -18.490 8.421 333 HD11 ILE 39 HD11 ILE 39 -3.570 -13.587 7.485 334 HD12 ILE 39 HD12 ILE 39 -4.533 -14.859 8.235 335 HD13 ILE 39 HD13 ILE 39 -4.356 -14.803 6.481 336 H LEU 40 HN LEU 40 0.476 -18.610 6.269 337 HA LEU 40 HA LEU 40 0.304 -17.076 3.737 338 HB2 LEU 40 HB2 LEU 40 2.203 -16.539 5.294 339 HB3 LEU 40 HB1 LEU 40 2.771 -18.192 5.089 340 HG LEU 40 HG LEU 40 2.894 -17.801 2.622 341 HD11 LEU 40 HD11 LEU 40 1.863 -15.112 3.484 342 HD12 LEU 40 HD12 LEU 40 1.483 -16.046 2.040 343 HD13 LEU 40 HD13 LEU 40 3.002 -15.169 2.139 344 HD21 LEU 40 HD21 LEU 40 4.919 -16.380 2.737 345 HD22 LEU 40 HD22 LEU 40 4.883 -17.559 4.048 346 HD23 LEU 40 HD23 LEU 40 4.462 -15.875 4.362 347 H ASP 41 HN ASP 41 0.068 -18.197 1.921 348 HA ASP 41 HA ASP 41 -0.417 -20.875 1.710 349 HB2 ASP 41 HB2 ASP 41 0.168 -20.651 -0.700 350 HB3 ASP 41 HB1 ASP 41 -0.871 -19.353 -0.115 351 H GLU 42 HN GLU 42 2.706 -19.290 1.550 352 HA GLU 42 HA GLU 42 4.175 -21.628 0.860 353 HB2 GLU 42 HB2 GLU 42 4.926 -18.989 2.086 354 HB3 GLU 42 HB1 GLU 42 6.117 -20.242 1.728 355 HG2 GLU 42 HG2 GLU 42 5.407 -20.234 -0.638 356 HG3 GLU 42 HG1 GLU 42 4.221 -18.981 -0.276 357 H ARG 43 HN ARG 43 3.256 -20.117 3.918 358 HA ARG 43 HA ARG 43 4.780 -22.050 5.482 359 HB2 ARG 43 HB2 ARG 43 4.445 -19.567 6.058 360 HB3 ARG 43 HB1 ARG 43 2.826 -20.026 6.554 361 HG2 ARG 43 HG2 ARG 43 4.105 -20.149 8.546 362 HG3 ARG 43 HG1 ARG 43 3.941 -21.815 8.018 363 HD2 ARG 43 HD2 ARG 43 6.289 -21.040 8.755 364 HD3 ARG 43 HD1 ARG 43 6.189 -21.904 7.235 365 HE ARG 43 HE ARG 43 5.992 -19.040 6.948 366 HH11 ARG 43 HH21 ARG 43 8.073 -21.795 7.176 367 HH12 ARG 43 HH22 ARG 43 9.394 -21.030 6.356 368 HH21 ARG 43 HH11 ARG 43 7.711 -18.035 5.889 369 HH22 ARG 43 HH12 ARG 43 9.190 -18.898 5.628 370 H GLN 44 HN GLN 44 1.586 -21.741 4.227 371 HA GLN 44 HA GLN 44 -0.051 -22.975 6.037 372 HB2 GLN 44 HB2 GLN 44 0.101 -23.161 3.037 373 HB3 GLN 44 HB1 GLN 44 -1.065 -24.156 3.908 374 HG2 GLN 44 HG2 GLN 44 -1.958 -22.101 4.996 375 HG3 GLN 44 HG1 GLN 44 -0.844 -21.135 4.033 376 HE21 GLN 44 HE21 GLN 44 -1.376 -23.376 1.843 377 HE22 GLN 44 HE22 GLN 44 -2.811 -22.827 1.121 378 H GLY 45 HN GLY 45 2.434 -24.499 4.048 379 HA2 GLY 45 HA2 GLY 45 1.736 -27.182 4.705 380 HA3 GLY 45 HA1 GLY 45 3.269 -26.643 4.023 381 H LEU 46 HN LEU 46 4.177 -24.897 5.931 382 HA LEU 46 HA LEU 46 5.274 -26.649 7.855 383 HB2 LEU 46 HB2 LEU 46 6.075 -24.291 6.896 384 HB3 LEU 46 HB1 LEU 46 5.248 -23.693 8.325 385 HG LEU 46 HG LEU 46 7.577 -24.049 8.887 386 HD11 LEU 46 HD11 LEU 46 5.685 -24.766 10.488 387 HD12 LEU 46 HD12 LEU 46 7.308 -25.360 10.828 388 HD13 LEU 46 HD13 LEU 46 6.133 -26.416 10.067 389 HD21 LEU 46 HD21 LEU 46 8.830 -25.852 8.232 390 HD22 LEU 46 HD22 LEU 46 7.575 -26.062 7.017 391 HD23 LEU 46 HD23 LEU 46 7.525 -27.005 8.503 392 H MET 47 HN MET 47 2.687 -24.229 8.017 393 HA MET 47 HA MET 47 2.207 -24.243 10.767 394 HB2 MET 47 HB2 MET 47 1.145 -22.730 9.027 395 HB3 MET 47 HB1 MET 47 0.063 -24.065 8.641 396 HG2 MET 47 HG2 MET 47 -1.211 -22.931 10.230 397 HG3 MET 47 HG1 MET 47 -0.352 -24.065 11.269 398 HE1 MET 47 HE1 MET 47 -1.137 -20.200 10.919 399 HE2 MET 47 HE2 MET 47 -0.371 -20.870 9.481 400 HE3 MET 47 HE3 MET 47 0.488 -19.679 10.454 401 H HIS 48 HN HIS 48 0.867 -26.345 8.221 402 HA HIS 48 HA HIS 48 -0.776 -27.883 9.957 403 HB2 HIS 48 HB2 HIS 48 -1.123 -27.814 7.524 404 HB3 HIS 48 HB1 HIS 48 0.423 -28.631 7.281 405 HD2 HIS 48 HD2 HIS 48 0.126 -31.367 7.163 406 HE1 HIS 48 HE1 HIS 48 -3.484 -31.682 9.330 407 HE2 HIS 48 HE2 HIS 48 -1.726 -32.985 8.042 408 H GLU 49 HN GLU 49 2.485 -28.421 8.635 409 HA GLU 49 HA GLU 49 2.888 -30.937 9.894 410 HB2 GLU 49 HB2 GLU 49 4.844 -28.885 8.835 411 HB3 GLU 49 HB1 GLU 49 5.314 -30.482 9.422 412 HG2 GLU 49 HG2 GLU 49 3.887 -31.551 7.744 413 HG3 GLU 49 HG1 GLU 49 3.330 -29.975 7.185 414 H LEU 50 HN LEU 50 3.316 -27.627 10.908 415 HA LEU 50 HA LEU 50 5.003 -28.043 13.121 416 HB2 LEU 50 HB2 LEU 50 4.482 -25.816 12.154 417 HB3 LEU 50 HB1 LEU 50 2.848 -25.942 12.786 418 HG LEU 50 HG LEU 50 3.763 -26.105 15.082 419 HD11 LEU 50 HD11 LEU 50 5.907 -27.009 14.988 420 HD12 LEU 50 HD12 LEU 50 6.303 -25.304 15.163 421 HD13 LEU 50 HD13 LEU 50 6.362 -26.064 13.573 422 HD21 LEU 50 HD21 LEU 50 3.251 -23.886 13.849 423 HD22 LEU 50 HD22 LEU 50 5.001 -23.699 13.743 424 HD23 LEU 50 HD23 LEU 50 4.219 -23.798 15.320 425 H MET 51 HN MET 51 1.493 -28.189 12.749 426 HA MET 51 HA MET 51 0.699 -28.348 15.403 427 HB2 MET 51 HB2 MET 51 -0.865 -28.227 13.492 428 HB3 MET 51 HB1 MET 51 -0.443 -29.883 13.056 429 HG2 MET 51 HG2 MET 51 -1.296 -30.702 15.198 430 HG3 MET 51 HG1 MET 51 -1.631 -29.052 15.719 431 HE1 MET 51 HE1 MET 51 -3.706 -31.651 12.647 432 HE2 MET 51 HE2 MET 51 -2.059 -31.737 13.261 433 HE3 MET 51 HE3 MET 51 -2.445 -30.627 11.950 434 H GLU 52 HN GLU 52 1.738 -30.979 13.240 435 HA GLU 52 HA GLU 52 1.456 -33.034 15.189 436 HB2 GLU 52 HB2 GLU 52 3.154 -32.910 12.684 437 HB3 GLU 52 HB1 GLU 52 2.854 -34.369 13.629 438 HG2 GLU 52 HG2 GLU 52 0.681 -32.670 12.371 439 HG3 GLU 52 HG1 GLU 52 1.325 -34.149 11.660 440 H LEU 53 HN LEU 53 4.153 -30.981 14.165 441 HA LEU 53 HA LEU 53 6.171 -32.254 15.661 442 HB2 LEU 53 HB2 LEU 53 6.673 -30.643 13.881 443 HB3 LEU 53 HB1 LEU 53 5.936 -29.352 14.824 444 HG LEU 53 HG LEU 53 7.631 -29.651 16.591 445 HD11 LEU 53 HD11 LEU 53 8.254 -31.909 16.580 446 HD12 LEU 53 HD12 LEU 53 9.658 -31.151 15.836 447 HD13 LEU 53 HD13 LEU 53 8.451 -31.956 14.829 448 HD21 LEU 53 HD21 LEU 53 9.601 -28.893 15.283 449 HD22 LEU 53 HD22 LEU 53 8.117 -28.082 14.781 450 HD23 LEU 53 HD23 LEU 53 8.785 -29.387 13.800 451 H ILE 54 HN ILE 54 4.012 -29.543 16.446 452 HA ILE 54 HA ILE 54 5.100 -28.987 18.984 453 HB ILE 54 HB ILE 54 2.353 -28.504 17.847 454 HG12 ILE 54 HG12 ILE 54 4.524 -27.358 16.929 455 HG13 ILE 54 HG11 ILE 54 3.124 -26.369 17.300 456 HG21 ILE 54 HG21 ILE 54 2.246 -26.796 19.763 457 HG22 ILE 54 HG22 ILE 54 3.584 -27.688 20.483 458 HG23 ILE 54 HG23 ILE 54 2.037 -28.491 20.210 459 HD11 ILE 54 HD11 ILE 54 5.470 -25.596 18.154 460 HD12 ILE 54 HD12 ILE 54 5.212 -26.791 19.419 461 HD13 ILE 54 HD13 ILE 54 4.079 -25.462 19.220 462 H ASP 55 HN ASP 55 2.424 -31.080 17.971 463 HA ASP 55 HA ASP 55 1.615 -31.867 20.563 464 HB2 ASP 55 HB2 ASP 55 0.161 -32.172 18.638 465 HB3 ASP 55 HB1 ASP 55 1.321 -33.279 17.904 466 H LEU 56 HN LEU 56 4.029 -33.113 18.314 467 HA LEU 56 HA LEU 56 4.524 -35.559 19.597 468 HB2 LEU 56 HB2 LEU 56 6.121 -33.787 17.777 469 HB3 LEU 56 HB1 LEU 56 6.892 -35.193 18.506 470 HG LEU 56 HG LEU 56 4.227 -35.508 17.119 471 HD11 LEU 56 HD11 LEU 56 6.943 -35.207 15.833 472 HD12 LEU 56 HD12 LEU 56 5.418 -34.452 15.371 473 HD13 LEU 56 HD13 LEU 56 5.677 -36.169 15.070 474 HD21 LEU 56 HD21 LEU 56 6.643 -37.300 17.567 475 HD22 LEU 56 HD22 LEU 56 5.214 -37.775 16.654 476 HD23 LEU 56 HD23 LEU 56 5.081 -37.429 18.373 477 H TYR 57 HN TYR 57 5.996 -32.363 20.061 478 HA TYR 57 HA TYR 57 7.734 -33.323 22.175 479 HB2 TYR 57 HB2 TYR 57 7.168 -30.642 20.924 480 HB3 TYR 57 HB1 TYR 57 8.076 -30.741 22.434 481 HD1 TYR 57 HD1 TYR 57 7.967 -32.270 19.003 482 HD2 TYR 57 HD2 TYR 57 10.393 -31.093 22.347 483 HE1 TYR 57 HE1 TYR 57 10.013 -32.892 17.742 484 HE2 TYR 57 HE2 TYR 57 12.434 -31.712 21.085 485 HH TYR 57 HH TYR 57 12.683 -33.611 18.811 486 H GLU 58 HN GLU 58 5.073 -30.939 22.058 487 HA GLU 58 HA GLU 58 4.722 -30.440 24.714 488 HB2 GLU 58 HB2 GLU 58 2.613 -30.809 22.584 489 HB3 GLU 58 HB1 GLU 58 2.266 -30.180 24.195 490 HG2 GLU 58 HG2 GLU 58 4.306 -28.977 22.300 491 HG3 GLU 58 HG1 GLU 58 2.661 -28.378 22.500 492 H GLU 59 HN GLU 59 4.329 -33.462 23.173 493 HA GLU 59 HA GLU 59 2.491 -34.605 25.050 494 HB2 GLU 59 HB2 GLU 59 2.872 -35.569 22.811 495 HB3 GLU 59 HB1 GLU 59 4.527 -35.962 23.270 496 HG2 GLU 59 HG2 GLU 59 3.731 -37.447 25.026 497 HG3 GLU 59 HG1 GLU 59 2.060 -36.984 24.701 498 H SER 60 HN SER 60 6.026 -35.025 24.629 499 HA SER 60 HA SER 60 6.263 -36.115 27.342 500 HB2 SER 60 HB2 SER 60 8.525 -36.687 26.702 501 HB3 SER 60 HB1 SER 60 7.400 -37.218 25.456 502 HG SER 60 HG SER 60 7.985 -35.473 24.211 503 H GLN 61 HN GLN 61 6.645 -33.074 25.821 504 HA GLN 61 HA GLN 61 8.817 -32.027 27.295 505 HB2 GLN 61 HB2 GLN 61 7.126 -31.122 25.264 506 HB3 GLN 61 HB1 GLN 61 6.790 -30.022 26.584 507 HG2 GLN 61 HG2 GLN 61 9.281 -29.667 26.797 508 HG3 GLN 61 HG1 GLN 61 9.476 -30.612 25.320 509 HE21 GLN 61 HE21 GLN 61 10.136 -28.871 23.923 510 HE22 GLN 61 HE22 GLN 61 9.120 -27.563 23.552 511 HA PRO 62 HA PRO 62 5.783 -30.681 30.617 512 HB2 PRO 62 HB2 PRO 62 3.105 -31.018 30.240 513 HB3 PRO 62 HB1 PRO 62 4.018 -29.719 29.446 514 HG2 PRO 62 HG2 PRO 62 2.827 -32.118 28.261 515 HG3 PRO 62 HG1 PRO 62 3.417 -30.648 27.469 516 HD2 PRO 62 HD2 PRO 62 4.798 -33.226 27.833 517 HD3 PRO 62 HD1 PRO 62 5.233 -31.853 26.791 518 H SER 63 HN SER 63 6.680 -32.372 31.802 519 HA SER 63 HA SER 63 5.457 -34.963 32.060 520 HB2 SER 63 HB2 SER 63 7.193 -35.361 33.699 521 HB3 SER 63 HB1 SER 63 7.911 -34.507 32.336 522 HG SER 63 HG SER 63 7.974 -33.789 34.836 523 H SER 64 HN SER 64 4.609 -31.948 33.131 524 HA SER 64 HA SER 64 3.335 -32.970 35.611 525 HB2 SER 64 HB2 SER 64 3.366 -30.712 36.453 526 HB3 SER 64 HB1 SER 64 4.991 -31.114 35.906 527 HG SER 64 HG SER 64 4.525 -30.014 33.965 528 H GLU 65 HN GLU 65 2.424 -33.023 32.715 529 HA GLU 65 HA GLU 65 0.480 -32.733 31.544 530 HB2 GLU 65 HB2 GLU 65 -0.586 -32.432 34.352 531 HB3 GLU 65 HB1 GLU 65 -1.607 -32.548 32.919 532 HG2 GLU 65 HG2 GLU 65 -0.638 -34.726 32.366 533 HG3 GLU 65 HG1 GLU 65 0.454 -34.610 33.745 534 H ARG 66 HN ARG 66 2.152 -30.442 31.828 535 HA ARG 66 HA ARG 66 0.456 -28.155 32.386 536 HB2 ARG 66 HB2 ARG 66 2.956 -28.276 32.834 537 HB3 ARG 66 HB1 ARG 66 3.178 -28.122 31.091 538 HG2 ARG 66 HG2 ARG 66 1.962 -26.000 31.088 539 HG3 ARG 66 HG1 ARG 66 1.632 -26.162 32.813 540 HD2 ARG 66 HD2 ARG 66 3.529 -24.674 32.516 541 HD3 ARG 66 HD1 ARG 66 4.094 -26.181 33.233 542 HE ARG 66 HE ARG 66 4.284 -26.326 30.403 543 HH11 ARG 66 HH21 ARG 66 5.673 -24.825 33.190 544 HH12 ARG 66 HH22 ARG 66 7.251 -24.666 32.492 545 HH21 ARG 66 HH11 ARG 66 6.348 -26.125 29.476 546 HH22 ARG 66 HH12 ARG 66 7.633 -25.403 30.387 547 H LEU 67 HN LEU 67 1.128 -30.126 29.655 548 HA LEU 67 HA LEU 67 1.109 -28.509 27.463 549 HB2 LEU 67 HB2 LEU 67 -0.327 -30.245 26.337 550 HB3 LEU 67 HB1 LEU 67 1.111 -30.872 27.128 551 HG LEU 67 HG LEU 67 -1.238 -30.765 28.941 552 HD11 LEU 67 HD11 LEU 67 -2.258 -32.840 27.873 553 HD12 LEU 67 HD12 LEU 67 -1.357 -32.415 26.416 554 HD13 LEU 67 HD13 LEU 67 -2.571 -31.309 27.056 555 HD21 LEU 67 HD21 LEU 67 -0.491 -33.052 29.453 556 HD22 LEU 67 HD22 LEU 67 0.875 -31.937 29.443 557 HD23 LEU 67 HD23 LEU 67 0.608 -33.011 28.074 558 H ASN 68 HN ASN 68 -1.438 -28.868 29.785 559 HA ASN 68 HA ASN 68 -3.715 -28.140 28.427 560 HB2 ASN 68 HB2 ASN 68 -2.730 -27.389 31.178 561 HB3 ASN 68 HB1 ASN 68 -4.311 -26.874 30.590 562 HD21 ASN 68 HD21 ASN 68 -4.049 -28.678 32.811 563 HD22 ASN 68 HD22 ASN 68 -4.662 -30.189 32.337 564 H ALA 69 HN ALA 69 -0.936 -26.167 29.220 565 HA ALA 69 HA ALA 69 -2.221 -23.673 28.439 566 HB1 ALA 69 HB1 ALA 69 -0.024 -22.679 28.883 567 HB2 ALA 69 HB2 ALA 69 0.671 -24.288 29.081 568 HB3 ALA 69 HB3 ALA 69 -0.532 -23.698 30.229 569 H PHE 70 HN PHE 70 0.351 -25.794 27.178 570 HA PHE 70 HA PHE 70 0.869 -24.292 24.830 571 HB2 PHE 70 HB2 PHE 70 1.361 -27.182 25.544 572 HB3 PHE 70 HB1 PHE 70 1.856 -26.484 24.004 573 HD1 PHE 70 HD2 PHE 70 3.510 -24.640 23.929 574 HD2 PHE 70 HD1 PHE 70 2.514 -26.636 27.600 575 HE1 PHE 70 HE2 PHE 70 5.542 -23.698 24.991 576 HE2 PHE 70 HE1 PHE 70 4.549 -25.693 28.663 577 HZ PHE 70 HZ PHE 70 6.062 -24.224 27.358 578 H ARG 71 HN ARG 71 -1.413 -26.854 25.563 579 HA ARG 71 HA ARG 71 -2.242 -27.652 23.066 580 HB2 ARG 71 HB2 ARG 71 -3.932 -27.118 25.520 581 HB3 ARG 71 HB1 ARG 71 -4.483 -28.002 24.099 582 HG2 ARG 71 HG2 ARG 71 -1.898 -29.001 25.152 583 HG3 ARG 71 HG1 ARG 71 -3.215 -29.156 26.310 584 HD2 ARG 71 HD2 ARG 71 -3.419 -30.088 23.443 585 HD3 ARG 71 HD1 ARG 71 -2.883 -31.135 24.752 586 HE ARG 71 HE ARG 71 -5.363 -29.880 25.405 587 HH11 ARG 71 HH21 ARG 71 -3.906 -32.350 23.473 588 HH12 ARG 71 HH22 ARG 71 -5.328 -33.338 23.418 589 HH21 ARG 71 HH11 ARG 71 -7.230 -31.167 25.343 590 HH22 ARG 71 HH12 ARG 71 -7.212 -32.667 24.476 591 H GLU 72 HN GLU 72 -2.626 -24.576 24.599 592 HA GLU 72 HA GLU 72 -4.819 -23.577 23.112 593 HB2 GLU 72 HB2 GLU 72 -2.460 -22.176 24.396 594 HB3 GLU 72 HB1 GLU 72 -3.833 -21.329 23.682 595 HG2 GLU 72 HG2 GLU 72 -5.369 -22.439 25.224 596 HG3 GLU 72 HG1 GLU 72 -4.042 -23.384 25.901 597 H LEU 73 HN LEU 73 -1.316 -23.529 22.576 598 HA LEU 73 HA LEU 73 -1.404 -22.072 20.138 599 HB2 LEU 73 HB2 LEU 73 0.655 -22.349 21.538 600 HB3 LEU 73 HB1 LEU 73 0.713 -24.041 21.052 601 HG LEU 73 HG LEU 73 0.833 -23.319 18.660 602 HD11 LEU 73 HD11 LEU 73 0.582 -20.625 19.956 603 HD12 LEU 73 HD12 LEU 73 -0.092 -21.199 18.434 604 HD13 LEU 73 HD13 LEU 73 1.607 -20.749 18.526 605 HD21 LEU 73 HD21 LEU 73 2.992 -21.946 20.272 606 HD22 LEU 73 HD22 LEU 73 3.149 -22.759 18.714 607 HD23 LEU 73 HD23 LEU 73 2.867 -23.702 20.177 608 H ARG 74 HN ARG 74 -1.643 -25.472 20.976 609 HA ARG 74 HA ARG 74 -1.277 -26.605 18.433 610 HB2 ARG 74 HB2 ARG 74 -1.378 -27.898 20.570 611 HB3 ARG 74 HB1 ARG 74 -3.113 -27.588 20.638 612 HG2 ARG 74 HG2 ARG 74 -3.383 -28.703 18.439 613 HG3 ARG 74 HG1 ARG 74 -1.655 -29.051 18.417 614 HD2 ARG 74 HD2 ARG 74 -2.748 -31.026 19.220 615 HD3 ARG 74 HD1 ARG 74 -1.985 -30.266 20.614 616 HE ARG 74 HE ARG 74 -4.617 -29.289 20.407 617 HH11 ARG 74 HH21 ARG 74 -2.862 -32.200 21.055 618 HH12 ARG 74 HH22 ARG 74 -4.096 -32.882 22.062 619 HH21 ARG 74 HH11 ARG 74 -6.235 -30.171 21.724 620 HH22 ARG 74 HH12 ARG 74 -6.008 -31.731 22.441 621 H THR 75 HN THR 75 -4.154 -25.395 20.083 622 HA THR 75 HA THR 75 -6.016 -26.038 18.078 623 HB THR 75 HB THR 75 -6.070 -23.880 20.129 624 HG1 THR 75 HG1 THR 75 -7.751 -25.777 20.669 625 HG21 THR 75 HG21 THR 75 -8.571 -24.075 19.736 626 HG22 THR 75 HG22 THR 75 -8.163 -24.956 18.265 627 HG23 THR 75 HG23 THR 75 -7.646 -23.282 18.461 628 H GLN 76 HN GLN 76 -3.999 -23.209 18.652 629 HA GLN 76 HA GLN 76 -5.053 -21.450 16.769 630 HB2 GLN 76 HB2 GLN 76 -3.207 -20.993 18.445 631 HB3 GLN 76 HB1 GLN 76 -2.102 -21.798 17.331 632 HG2 GLN 76 HG2 GLN 76 -2.813 -20.200 15.546 633 HG3 GLN 76 HG1 GLN 76 -3.778 -19.349 16.751 634 HE21 GLN 76 HE21 GLN 76 -2.517 -18.482 18.689 635 HE22 GLN 76 HE22 GLN 76 -0.914 -17.987 18.435 636 H LEU 77 HN LEU 77 -2.536 -23.938 16.342 637 HA LEU 77 HA LEU 77 -2.114 -23.465 13.576 638 HB2 LEU 77 HB2 LEU 77 -1.728 -26.071 15.070 639 HB3 LEU 77 HB1 LEU 77 -0.945 -25.582 13.568 640 HG LEU 77 HG LEU 77 -0.609 -24.206 16.247 641 HD11 LEU 77 HD11 LEU 77 0.591 -26.235 16.374 642 HD12 LEU 77 HD12 LEU 77 1.796 -25.050 15.877 643 HD13 LEU 77 HD13 LEU 77 1.091 -26.144 14.686 644 HD21 LEU 77 HD21 LEU 77 -0.309 -22.519 14.624 645 HD22 LEU 77 HD22 LEU 77 0.428 -23.636 13.476 646 HD23 LEU 77 HD23 LEU 77 1.327 -23.115 14.898 647 H GLU 78 HN GLU 78 -4.284 -25.601 15.362 648 HA GLU 78 HA GLU 78 -5.309 -26.994 13.114 649 HB2 GLU 78 HB2 GLU 78 -5.528 -27.657 15.562 650 HB3 GLU 78 HB1 GLU 78 -6.785 -26.429 15.695 651 HG2 GLU 78 HG2 GLU 78 -6.873 -28.627 13.613 652 HG3 GLU 78 HG1 GLU 78 -7.593 -28.804 15.210 653 H LYS 79 HN LYS 79 -6.252 -24.021 14.769 654 HA LYS 79 HA LYS 79 -8.681 -23.589 13.370 655 HB2 LYS 79 HB2 LYS 79 -8.047 -22.453 15.496 656 HB3 LYS 79 HB1 LYS 79 -6.843 -21.524 14.604 657 HG2 LYS 79 HG2 LYS 79 -8.626 -20.626 13.138 658 HG3 LYS 79 HG1 LYS 79 -9.827 -21.533 14.050 659 HD2 LYS 79 HD2 LYS 79 -7.972 -19.530 15.357 660 HD3 LYS 79 HD1 LYS 79 -9.536 -19.069 14.693 661 HE2 LYS 79 HE2 LYS 79 -10.545 -20.908 16.170 662 HE3 LYS 79 HE1 LYS 79 -8.979 -20.975 16.976 663 HZ1 LYS 79 HZ1 LYS 79 -9.363 -18.385 17.025 664 HZ2 LYS 79 HZ2 LYS 79 -9.960 -19.410 18.240 665 HZ3 LYS 79 HZ3 LYS 79 -10.988 -18.869 17.001 666 H ALA 80 HN ALA 80 -5.332 -22.599 12.826 667 HA ALA 80 HA ALA 80 -5.795 -20.892 10.651 668 HB1 ALA 80 HB1 ALA 80 -3.361 -22.612 11.176 669 HB2 ALA 80 HB2 ALA 80 -3.641 -21.011 11.861 670 HB3 ALA 80 HB3 ALA 80 -3.427 -21.199 10.122 671 H LEU 81 HN LEU 81 -5.453 -24.379 10.872 672 HA LEU 81 HA LEU 81 -5.138 -24.941 8.125 673 HB2 LEU 81 HB2 LEU 81 -4.974 -26.477 10.278 674 HB3 LEU 81 HB1 LEU 81 -6.668 -26.795 9.935 675 HG LEU 81 HG LEU 81 -4.369 -27.186 7.992 676 HD11 LEU 81 HD11 LEU 81 -4.403 -28.840 9.815 677 HD12 LEU 81 HD12 LEU 81 -4.864 -29.585 8.285 678 HD13 LEU 81 HD13 LEU 81 -6.100 -29.184 9.477 679 HD21 LEU 81 HD21 LEU 81 -6.344 -28.505 6.806 680 HD22 LEU 81 HD22 LEU 81 -6.178 -26.771 6.580 681 HD23 LEU 81 HD23 LEU 81 -7.361 -27.397 7.728 682 H GLY 82 HN GLY 82 -8.026 -24.565 10.161 683 HA2 GLY 82 HA2 GLY 82 -9.943 -25.257 8.192 684 HA3 GLY 82 HA1 GLY 82 -10.251 -24.285 9.630 685 H LEU 83 HN LEU 83 -8.064 -22.402 8.769 686 HA LEU 83 HA LEU 83 -7.956 -20.363 7.711 687 HB2 LEU 83 HB2 LEU 83 -9.155 -22.048 5.504 688 HB3 LEU 83 HB1 LEU 83 -8.542 -20.418 5.270 689 HG LEU 83 HG LEU 83 -6.864 -22.649 6.458 690 HD11 LEU 83 HD11 LEU 83 -7.435 -23.400 4.250 691 HD12 LEU 83 HD12 LEU 83 -5.818 -22.703 4.135 692 HD13 LEU 83 HD13 LEU 83 -7.217 -21.784 3.577 693 HD21 LEU 83 HD21 LEU 83 -5.801 -20.602 6.957 694 HD22 LEU 83 HD22 LEU 83 -6.331 -19.844 5.459 695 HD23 LEU 83 HD23 LEU 83 -5.047 -21.045 5.430 696 H GLU 84 HN GLU 84 -10.721 -21.588 8.794 697 HA GLU 84 HA GLU 84 -12.717 -19.986 7.536 698 HB2 GLU 84 HB2 GLU 84 -14.096 -20.597 9.515 699 HB3 GLU 84 HB1 GLU 84 -13.332 -21.998 8.763 700 HG2 GLU 84 HG2 GLU 84 -11.526 -21.918 10.442 701 HG3 GLU 84 HG1 GLU 84 -12.290 -20.521 11.197 702 H HIS 85 HN HIS 85 -13.522 -17.996 8.080 703 HA HIS 85 HA HIS 85 -12.616 -16.623 10.482 704 HB2 HIS 85 HB2 HIS 85 -11.794 -15.736 7.710 705 HB3 HIS 85 HB1 HIS 85 -11.787 -14.659 9.106 706 HD2 HIS 85 HD2 HIS 85 -9.756 -15.205 11.024 707 HE1 HIS 85 HE1 HIS 85 -7.856 -18.248 8.800 708 HE2 HIS 85 HE2 HIS 85 -7.661 -16.752 10.843 709 H HIS 86 HN HIS 86 -14.868 -17.287 8.151 710 HA HIS 86 HA HIS 86 -16.707 -15.300 9.199 711 HB2 HIS 86 HB2 HIS 86 -17.324 -14.497 6.901 712 HB3 HIS 86 HB1 HIS 86 -15.724 -13.985 7.435 713 HD2 HIS 86 HD2 HIS 86 -17.224 -16.781 5.034 714 HE1 HIS 86 HE1 HIS 86 -13.205 -16.051 3.964 715 HE2 HIS 86 HE2 HIS 86 -15.310 -17.328 3.343 716 H HIS 87 HN HIS 87 -18.933 -15.659 8.372 717 HA HIS 87 HA HIS 87 -19.368 -18.531 7.775 718 HB2 HIS 87 HB2 HIS 87 -20.323 -17.675 9.902 719 HB3 HIS 87 HB1 HIS 87 -21.278 -16.514 8.981 720 HD2 HIS 87 HD2 HIS 87 -23.638 -17.552 7.923 721 HE1 HIS 87 HE1 HIS 87 -22.865 -21.623 8.736 722 HE2 HIS 87 HE2 HIS 87 -24.599 -19.980 7.875 723 H HIS 88 HN HIS 88 -19.601 -18.784 5.629 724 HA HIS 88 HA HIS 88 -21.821 -17.471 4.310 725 HB2 HIS 88 HB2 HIS 88 -18.982 -17.010 3.364 726 HB3 HIS 88 HB1 HIS 88 -20.424 -16.642 2.415 727 HD2 HIS 88 HD2 HIS 88 -18.162 -14.682 4.600 728 HE1 HIS 88 HE1 HIS 88 -21.966 -13.027 5.379 729 HE2 HIS 88 HE2 HIS 88 -19.466 -12.680 5.651 730 H HIS 89 HN HIS 89 -22.089 -18.290 2.049 731 HA HIS 89 HA HIS 89 -20.783 -20.845 1.468 732 HB2 HIS 89 HB2 HIS 89 -22.984 -21.985 1.202 733 HB3 HIS 89 HB1 HIS 89 -22.640 -21.542 2.873 734 HD2 HIS 89 HD2 HIS 89 -25.402 -20.994 0.285 735 HE1 HIS 89 HE1 HIS 89 -26.008 -18.073 3.273 736 HE2 HIS 89 HE2 HIS 89 -27.038 -19.198 1.242 737 H HIS 90 HN HIS 90 -21.104 -21.546 -0.704 738 HA HIS 90 HA HIS 90 -22.693 -20.004 -2.542 739 HB2 HIS 90 HB2 HIS 90 -20.744 -18.488 -2.186 740 HB3 HIS 90 HB1 HIS 90 -19.681 -19.774 -2.760 741 HD2 HIS 90 HD2 HIS 90 -19.432 -19.861 -5.523 742 HE1 HIS 90 HE1 HIS 90 -22.706 -17.371 -6.476 743 HE2 HIS 90 HE2 HIS 90 -20.736 -18.653 -7.436 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -4.036 -9.962 16.263 2 H2 MET 1 HT2 MET 1 -2.701 -8.928 16.455 3 H3 MET 1 HT3 MET 1 -2.784 -10.384 17.326 4 HA MET 1 HA MET 1 -2.039 -9.911 14.549 5 HB2 MET 1 HB2 MET 1 -1.291 -11.892 16.722 6 HB3 MET 1 HB1 MET 1 -0.600 -11.910 15.099 7 HG2 MET 1 HG2 MET 1 0.946 -10.658 16.391 8 HG3 MET 1 HG1 MET 1 0.014 -9.440 15.522 9 HE1 MET 1 HE1 MET 1 1.407 -8.112 17.604 10 HE2 MET 1 HE2 MET 1 0.158 -7.295 18.541 11 HE3 MET 1 HE3 MET 1 0.005 -7.406 16.789 12 H GLY 2 HN GLY 2 -3.259 -12.682 16.457 13 HA2 GLY 2 HA2 GLY 2 -5.501 -13.401 15.137 14 HA3 GLY 2 HA1 GLY 2 -4.241 -13.983 14.053 15 H VAL 3 HN VAL 3 -2.383 -15.132 15.412 16 HA VAL 3 HA VAL 3 -3.671 -17.026 17.306 17 HB VAL 3 HB VAL 3 -2.090 -18.743 16.368 18 HG11 VAL 3 HG11 VAL 3 -4.470 -18.633 15.713 19 HG12 VAL 3 HG12 VAL 3 -3.465 -19.153 14.361 20 HG13 VAL 3 HG13 VAL 3 -4.063 -17.495 14.431 21 HG21 VAL 3 HG21 VAL 3 -1.705 -16.581 14.271 22 HG22 VAL 3 HG22 VAL 3 -1.193 -18.259 14.081 23 HG23 VAL 3 HG23 VAL 3 -0.459 -17.248 15.327 24 H TRP 4 HN TRP 4 -2.674 -17.317 19.189 25 HA TRP 4 HA TRP 4 -0.211 -15.829 19.719 26 HB2 TRP 4 HB2 TRP 4 -1.848 -17.449 21.674 27 HB3 TRP 4 HB1 TRP 4 -0.708 -16.150 22.024 28 HD1 TRP 4 HD1 TRP 4 -1.583 -13.961 20.025 29 HE1 TRP 4 HE1 TRP 4 -3.870 -12.794 20.251 30 HE3 TRP 4 HE3 TRP 4 -4.079 -17.449 22.790 31 HZ2 TRP 4 HZ2 TRP 4 -6.423 -13.276 21.449 32 HZ3 TRP 4 HZ3 TRP 4 -6.435 -17.073 23.460 33 HH2 TRP 4 HH2 TRP 4 -7.609 -14.993 22.793 34 H THR 5 HN THR 5 1.703 -16.721 20.227 35 HA THR 5 HA THR 5 2.222 -19.350 21.013 36 HB THR 5 HB THR 5 3.313 -19.341 18.286 37 HG1 THR 5 HG1 THR 5 1.614 -18.586 17.353 38 HG21 THR 5 HG21 THR 5 3.230 -21.348 19.645 39 HG22 THR 5 HG22 THR 5 2.192 -21.565 18.239 40 HG23 THR 5 HG23 THR 5 1.479 -21.207 19.810 41 HA PRO 6 HA PRO 6 6.212 -16.984 19.384 42 HB2 PRO 6 HB2 PRO 6 5.015 -14.234 19.462 43 HB3 PRO 6 HB1 PRO 6 6.211 -14.911 18.333 44 HG2 PRO 6 HG2 PRO 6 3.709 -14.573 17.561 45 HG3 PRO 6 HG1 PRO 6 4.594 -16.038 17.100 46 HD2 PRO 6 HD2 PRO 6 2.529 -15.681 19.253 47 HD3 PRO 6 HD1 PRO 6 2.722 -17.029 18.103 48 H GLU 7 HN GLU 7 7.721 -15.790 20.743 49 HA GLU 7 HA GLU 7 7.579 -16.226 23.415 50 HB2 GLU 7 HB2 GLU 7 8.878 -13.822 22.104 51 HB3 GLU 7 HB1 GLU 7 9.241 -14.429 23.719 52 HG2 GLU 7 HG2 GLU 7 10.923 -15.436 22.437 53 HG3 GLU 7 HG1 GLU 7 9.699 -16.703 22.486 54 H VAL 8 HN VAL 8 5.805 -13.890 21.645 55 HA VAL 8 HA VAL 8 5.270 -11.966 23.629 56 HB VAL 8 HB VAL 8 3.567 -12.939 21.321 57 HG11 VAL 8 HG11 VAL 8 2.075 -11.866 22.843 58 HG12 VAL 8 HG12 VAL 8 2.486 -10.640 21.644 59 HG13 VAL 8 HG13 VAL 8 3.256 -10.614 23.232 60 HG21 VAL 8 HG21 VAL 8 4.404 -10.894 20.224 61 HG22 VAL 8 HG22 VAL 8 5.742 -11.943 20.691 62 HG23 VAL 8 HG23 VAL 8 5.364 -10.516 21.654 63 H LEU 9 HN LEU 9 3.629 -15.008 22.768 64 HA LEU 9 HA LEU 9 1.528 -14.801 24.634 65 HB2 LEU 9 HB2 LEU 9 1.455 -16.451 22.839 66 HB3 LEU 9 HB1 LEU 9 2.885 -17.256 23.481 67 HG LEU 9 HG LEU 9 1.679 -17.884 25.512 68 HD11 LEU 9 HD11 LEU 9 0.176 -16.147 25.985 69 HD12 LEU 9 HD12 LEU 9 -0.903 -17.423 25.425 70 HD13 LEU 9 HD13 LEU 9 -0.457 -16.107 24.340 71 HD21 LEU 9 HD21 LEU 9 1.485 -19.407 23.627 72 HD22 LEU 9 HD22 LEU 9 0.144 -18.473 22.964 73 HD23 LEU 9 HD23 LEU 9 -0.058 -19.354 24.478 74 H LYS 10 HN LYS 10 4.733 -16.328 24.859 75 HA LYS 10 HA LYS 10 4.436 -17.294 27.503 76 HB2 LYS 10 HB2 LYS 10 6.892 -16.544 25.903 77 HB3 LYS 10 HB1 LYS 10 6.951 -17.320 27.488 78 HG2 LYS 10 HG2 LYS 10 5.664 -19.219 26.643 79 HG3 LYS 10 HG1 LYS 10 5.491 -18.428 25.078 80 HD2 LYS 10 HD2 LYS 10 7.288 -19.872 24.689 81 HD3 LYS 10 HD1 LYS 10 8.117 -18.372 25.097 82 HE2 LYS 10 HE2 LYS 10 9.102 -20.285 26.302 83 HE3 LYS 10 HE1 LYS 10 8.363 -19.154 27.434 84 HZ1 LYS 10 HZ1 LYS 10 6.390 -20.945 26.633 85 HZ2 LYS 10 HZ2 LYS 10 7.106 -20.802 28.167 86 HZ3 LYS 10 HZ3 LYS 10 7.760 -21.869 27.017 87 H ALA 11 HN ALA 11 5.792 -14.308 26.180 88 HA ALA 11 HA ALA 11 6.548 -13.196 28.685 89 HB1 ALA 11 HB1 ALA 11 6.827 -11.118 27.489 90 HB2 ALA 11 HB2 ALA 11 5.829 -11.697 26.157 91 HB3 ALA 11 HB3 ALA 11 7.407 -12.426 26.457 92 H ARG 12 HN ARG 12 3.600 -13.111 26.763 93 HA ARG 12 HA ARG 12 2.251 -11.082 28.157 94 HB2 ARG 12 HB2 ARG 12 1.498 -12.034 25.986 95 HB3 ARG 12 HB1 ARG 12 1.065 -13.527 26.815 96 HG2 ARG 12 HG2 ARG 12 -0.926 -12.135 26.531 97 HG3 ARG 12 HG1 ARG 12 -0.527 -12.247 28.243 98 HD2 ARG 12 HD2 ARG 12 0.191 -10.034 28.357 99 HD3 ARG 12 HD1 ARG 12 0.611 -9.968 26.646 100 HE ARG 12 HE ARG 12 -2.139 -10.302 26.736 101 HH11 ARG 12 HH21 ARG 12 0.229 -8.080 27.913 102 HH12 ARG 12 HH22 ARG 12 -0.821 -6.704 27.847 103 HH21 ARG 12 HH11 ARG 12 -3.531 -8.505 26.641 104 HH22 ARG 12 HH12 ARG 12 -2.955 -6.946 27.126 105 H ALA 13 HN ALA 13 2.362 -14.592 28.672 106 HA ALA 13 HA ALA 13 0.663 -14.435 31.022 107 HB1 ALA 13 HB1 ALA 13 1.023 -16.849 31.160 108 HB2 ALA 13 HB2 ALA 13 2.278 -16.752 29.925 109 HB3 ALA 13 HB3 ALA 13 0.601 -16.396 29.510 110 H SER 14 HN SER 14 4.073 -14.961 30.276 111 HA SER 14 HA SER 14 4.792 -15.145 33.097 112 HB2 SER 14 HB2 SER 14 5.891 -16.519 31.264 113 HB3 SER 14 HB1 SER 14 6.654 -15.027 30.720 114 HG SER 14 HG SER 14 6.784 -15.631 33.437 115 H VAL 15 HN VAL 15 3.820 -12.666 31.400 116 HA VAL 15 HA VAL 15 4.059 -10.392 31.587 117 HB VAL 15 HB VAL 15 6.200 -10.873 33.662 118 HG11 VAL 15 HG11 VAL 15 4.125 -8.690 33.330 119 HG12 VAL 15 HG12 VAL 15 5.808 -8.558 32.817 120 HG13 VAL 15 HG13 VAL 15 5.420 -8.738 34.528 121 HG21 VAL 15 HG21 VAL 15 4.185 -10.705 35.265 122 HG22 VAL 15 HG22 VAL 15 4.407 -12.241 34.429 123 HG23 VAL 15 HG23 VAL 15 3.190 -11.097 33.863 124 H ILE 16 HN ILE 16 7.167 -12.113 31.736 125 HA ILE 16 HA ILE 16 8.147 -10.450 29.511 126 HB ILE 16 HB ILE 16 8.992 -9.508 31.661 127 HG12 ILE 16 HG12 ILE 16 11.216 -10.864 30.122 128 HG13 ILE 16 HG11 ILE 16 10.290 -9.519 29.454 129 HG21 ILE 16 HG21 ILE 16 9.035 -11.841 32.757 130 HG22 ILE 16 HG22 ILE 16 10.390 -10.767 33.106 131 HG23 ILE 16 HG23 ILE 16 10.577 -12.068 31.929 132 HD11 ILE 16 HD11 ILE 16 12.461 -8.898 30.659 133 HD12 ILE 16 HD12 ILE 16 11.642 -9.359 32.152 134 HD13 ILE 16 HD13 ILE 16 11.012 -8.035 31.173 135 H GLY 17 HN GLY 17 9.030 -11.651 27.956 136 HA2 GLY 17 HA2 GLY 17 9.320 -14.517 28.337 137 HA3 GLY 17 HA1 GLY 17 9.513 -13.633 26.826 138 H LYS 18 HN LYS 18 11.209 -15.650 28.412 139 HA LYS 18 HA LYS 18 13.751 -14.428 27.765 140 HB2 LYS 18 HB2 LYS 18 14.677 -14.881 30.077 141 HB3 LYS 18 HB1 LYS 18 13.565 -13.517 29.972 142 HG2 LYS 18 HG2 LYS 18 11.721 -14.947 30.758 143 HG3 LYS 18 HG1 LYS 18 12.820 -16.323 30.849 144 HD2 LYS 18 HD2 LYS 18 14.158 -15.208 32.547 145 HD3 LYS 18 HD1 LYS 18 13.193 -13.739 32.390 146 HE2 LYS 18 HE2 LYS 18 11.170 -15.162 33.027 147 HE3 LYS 18 HE1 LYS 18 12.320 -16.421 33.478 148 HZ1 LYS 18 HZ1 LYS 18 11.514 -14.663 35.211 149 HZ2 LYS 18 HZ2 LYS 18 12.731 -13.707 34.508 150 HZ3 LYS 18 HZ3 LYS 18 13.122 -15.203 35.213 151 HA PRO 19 HA PRO 19 13.238 -19.136 27.627 152 HB2 PRO 19 HB2 PRO 19 13.249 -19.426 24.899 153 HB3 PRO 19 HB1 PRO 19 11.765 -19.186 25.847 154 HG2 PRO 19 HG2 PRO 19 13.363 -17.183 24.311 155 HG3 PRO 19 HG1 PRO 19 11.607 -17.397 24.389 156 HD2 PRO 19 HD2 PRO 19 12.881 -15.475 25.828 157 HD3 PRO 19 HD1 PRO 19 11.426 -16.299 26.435 158 H ILE 20 HN ILE 20 14.885 -20.646 26.977 159 HA ILE 20 HA ILE 20 17.513 -19.481 26.904 160 HB ILE 20 HB ILE 20 18.256 -21.887 26.886 161 HG12 ILE 20 HG12 ILE 20 15.317 -22.472 27.310 162 HG13 ILE 20 HG11 ILE 20 16.079 -22.587 25.723 163 HG21 ILE 20 HG21 ILE 20 16.215 -21.238 29.032 164 HG22 ILE 20 HG22 ILE 20 17.822 -20.516 28.973 165 HG23 ILE 20 HG23 ILE 20 17.647 -22.256 29.193 166 HD11 ILE 20 HD11 ILE 20 17.767 -24.168 26.711 167 HD12 ILE 20 HD12 ILE 20 16.117 -24.792 26.734 168 HD13 ILE 20 HD13 ILE 20 16.836 -24.148 28.210 169 H GLY 21 HN GLY 21 18.991 -19.484 25.262 170 HA2 GLY 21 HA2 GLY 21 17.892 -19.735 22.579 171 HA3 GLY 21 HA1 GLY 21 19.488 -19.126 23.010 172 H GLU 22 HN GLU 22 17.851 -21.666 21.616 173 HA GLU 22 HA GLU 22 20.120 -23.170 21.026 174 HB2 GLU 22 HB2 GLU 22 19.120 -23.679 23.689 175 HB3 GLU 22 HB1 GLU 22 18.862 -25.123 22.719 176 HG2 GLU 22 HG2 GLU 22 21.516 -23.660 22.911 177 HG3 GLU 22 HG1 GLU 22 21.088 -25.079 23.869 178 H SER 23 HN SER 23 19.321 -25.619 20.528 179 HA SER 23 HA SER 23 17.508 -25.392 18.393 180 HB2 SER 23 HB2 SER 23 18.336 -27.875 19.913 181 HB3 SER 23 HB1 SER 23 17.583 -27.846 18.320 182 HG SER 23 HG SER 23 19.387 -26.955 17.477 183 H TYR 24 HN TYR 24 17.079 -26.443 21.743 184 HA TYR 24 HA TYR 24 14.478 -27.450 21.567 185 HB2 TYR 24 HB2 TYR 24 15.869 -27.676 23.585 186 HB3 TYR 24 HB1 TYR 24 15.742 -25.939 23.872 187 HD1 TYR 24 HD2 TYR 24 13.798 -29.107 23.657 188 HD2 TYR 24 HD1 TYR 24 13.783 -24.979 24.845 189 HE1 TYR 24 HE2 TYR 24 11.643 -29.454 24.837 190 HE2 TYR 24 HE1 TYR 24 11.629 -25.326 26.023 191 HH TYR 24 HH TYR 24 10.460 -28.199 26.901 192 H LYS 25 HN LYS 25 15.636 -24.217 21.302 193 HA LYS 25 HA LYS 25 13.012 -23.016 21.831 194 HB2 LYS 25 HB2 LYS 25 14.991 -21.866 22.695 195 HB3 LYS 25 HB1 LYS 25 15.670 -21.770 21.073 196 HG2 LYS 25 HG2 LYS 25 13.883 -20.327 20.334 197 HG3 LYS 25 HG1 LYS 25 13.005 -20.557 21.847 198 HD2 LYS 25 HD2 LYS 25 14.865 -19.470 23.066 199 HD3 LYS 25 HD1 LYS 25 15.709 -19.220 21.535 200 HE2 LYS 25 HE2 LYS 25 12.958 -18.135 22.205 201 HE3 LYS 25 HE1 LYS 25 14.451 -17.196 22.231 202 HZ1 LYS 25 HZ1 LYS 25 13.038 -18.367 19.925 203 HZ2 LYS 25 HZ2 LYS 25 14.703 -18.041 19.832 204 HZ3 LYS 25 HZ3 LYS 25 13.604 -16.783 20.136 205 H ARG 26 HN ARG 26 14.658 -24.399 19.255 206 HA ARG 26 HA ARG 26 13.990 -22.727 17.103 207 HB2 ARG 26 HB2 ARG 26 14.517 -24.560 15.700 208 HB3 ARG 26 HB1 ARG 26 15.541 -24.756 17.119 209 HG2 ARG 26 HG2 ARG 26 14.721 -26.901 17.125 210 HG3 ARG 26 HG1 ARG 26 13.325 -26.176 17.920 211 HD2 ARG 26 HD2 ARG 26 12.361 -27.393 16.158 212 HD3 ARG 26 HD1 ARG 26 12.454 -25.765 15.490 213 HE ARG 26 HE ARG 26 14.130 -26.501 14.025 214 HH11 ARG 26 HH21 ARG 26 13.370 -28.869 16.435 215 HH12 ARG 26 HH22 ARG 26 14.253 -30.141 15.659 216 HH21 ARG 26 HH11 ARG 26 15.303 -28.156 13.014 217 HH22 ARG 26 HH12 ARG 26 15.348 -29.736 13.720 218 H ILE 27 HN ILE 27 12.097 -24.884 19.039 219 HA ILE 27 HA ILE 27 9.988 -25.365 17.241 220 HB ILE 27 HB ILE 27 10.236 -26.689 19.254 221 HG12 ILE 27 HG12 ILE 27 7.704 -25.046 19.519 222 HG13 ILE 27 HG11 ILE 27 7.944 -26.248 18.250 223 HG21 ILE 27 HG21 ILE 27 11.027 -24.551 20.584 224 HG22 ILE 27 HG22 ILE 27 10.178 -25.842 21.430 225 HG23 ILE 27 HG23 ILE 27 9.311 -24.382 20.959 226 HD11 ILE 27 HD11 ILE 27 8.445 -27.054 21.103 227 HD12 ILE 27 HD12 ILE 27 7.902 -28.032 19.740 228 HD13 ILE 27 HD13 ILE 27 6.783 -26.926 20.534 229 H LEU 28 HN LEU 28 10.162 -23.035 19.920 230 HA LEU 28 HA LEU 28 7.783 -21.660 19.285 231 HB2 LEU 28 HB2 LEU 28 10.223 -21.051 20.930 232 HB3 LEU 28 HB1 LEU 28 9.035 -19.778 20.657 233 HG LEU 28 HG LEU 28 8.078 -22.486 21.589 234 HD11 LEU 28 HD11 LEU 28 8.382 -21.786 23.935 235 HD12 LEU 28 HD12 LEU 28 9.222 -20.330 23.397 236 HD13 LEU 28 HD13 LEU 28 9.938 -21.918 23.115 237 HD21 LEU 28 HD21 LEU 28 6.266 -21.218 22.498 238 HD22 LEU 28 HD22 LEU 28 6.576 -20.507 20.914 239 HD23 LEU 28 HD23 LEU 28 7.162 -19.703 22.370 240 H ALA 29 HN ALA 29 11.166 -21.076 18.395 241 HA ALA 29 HA ALA 29 10.750 -18.622 17.066 242 HB1 ALA 29 HB1 ALA 29 12.916 -19.102 15.965 243 HB2 ALA 29 HB2 ALA 29 12.859 -20.742 16.612 244 HB3 ALA 29 HB3 ALA 29 12.978 -19.365 17.708 245 H LYS 30 HN LYS 30 10.227 -21.928 16.101 246 HA LYS 30 HA LYS 30 10.208 -21.591 13.304 247 HB2 LYS 30 HB2 LYS 30 10.226 -23.791 14.459 248 HB3 LYS 30 HB1 LYS 30 8.556 -23.518 14.944 249 HG2 LYS 30 HG2 LYS 30 7.776 -23.574 12.707 250 HG3 LYS 30 HG1 LYS 30 9.405 -23.411 12.052 251 HD2 LYS 30 HD2 LYS 30 8.464 -25.760 11.942 252 HD3 LYS 30 HD1 LYS 30 10.004 -25.630 12.786 253 HE2 LYS 30 HE2 LYS 30 9.000 -25.874 14.904 254 HE3 LYS 30 HE1 LYS 30 7.398 -25.477 14.288 255 HZ1 LYS 30 HZ1 LYS 30 7.758 -27.568 12.845 256 HZ2 LYS 30 HZ2 LYS 30 7.308 -27.756 14.472 257 HZ3 LYS 30 HZ3 LYS 30 8.926 -27.975 14.005 258 H LEU 31 HN LEU 31 7.751 -21.050 15.764 259 HA LEU 31 HA LEU 31 5.537 -20.698 14.053 260 HB2 LEU 31 HB2 LEU 31 6.197 -19.802 16.841 261 HB3 LEU 31 HB1 LEU 31 4.744 -19.186 16.055 262 HG LEU 31 HG LEU 31 4.372 -21.258 17.440 263 HD11 LEU 31 HD11 LEU 31 3.141 -20.565 15.132 264 HD12 LEU 31 HD12 LEU 31 2.730 -22.027 16.023 265 HD13 LEU 31 HD13 LEU 31 3.802 -22.124 14.631 266 HD21 LEU 31 HD21 LEU 31 5.305 -23.345 16.795 267 HD22 LEU 31 HD22 LEU 31 6.647 -22.206 16.721 268 HD23 LEU 31 HD23 LEU 31 5.842 -22.711 15.237 269 H GLN 32 HN GLN 32 8.056 -18.488 15.150 270 HA GLN 32 HA GLN 32 7.092 -16.027 14.478 271 HB2 GLN 32 HB2 GLN 32 9.375 -16.488 15.354 272 HB3 GLN 32 HB1 GLN 32 9.845 -17.054 13.750 273 HG2 GLN 32 HG2 GLN 32 9.334 -14.862 12.794 274 HG3 GLN 32 HG1 GLN 32 8.776 -14.287 14.365 275 HE21 GLN 32 HE21 GLN 32 10.951 -13.025 12.979 276 HE22 GLN 32 HE22 GLN 32 12.367 -13.284 13.878 277 H ARG 33 HN ARG 33 8.513 -18.400 12.226 278 HA ARG 33 HA ARG 33 8.130 -16.809 9.896 279 HB2 ARG 33 HB2 ARG 33 9.726 -18.690 9.971 280 HB3 ARG 33 HB1 ARG 33 8.377 -19.817 10.130 281 HG2 ARG 33 HG2 ARG 33 7.500 -19.160 7.960 282 HG3 ARG 33 HG1 ARG 33 8.721 -17.895 7.813 283 HD2 ARG 33 HD2 ARG 33 9.389 -20.825 8.108 284 HD3 ARG 33 HD1 ARG 33 9.245 -20.021 6.546 285 HE ARG 33 HE ARG 33 11.404 -19.724 8.475 286 HH11 ARG 33 HH21 ARG 33 9.716 -18.451 5.737 287 HH12 ARG 33 HH22 ARG 33 11.046 -17.487 5.188 288 HH21 ARG 33 HH11 ARG 33 13.156 -18.464 7.763 289 HH22 ARG 33 HH12 ARG 33 12.994 -17.495 6.336 290 H ILE 34 HN ILE 34 6.203 -19.317 11.484 291 HA ILE 34 HA ILE 34 4.204 -19.623 9.545 292 HB ILE 34 HB ILE 34 3.873 -19.755 12.548 293 HG12 ILE 34 HG12 ILE 34 5.748 -21.154 11.802 294 HG13 ILE 34 HG11 ILE 34 4.390 -22.166 12.278 295 HG21 ILE 34 HG21 ILE 34 1.736 -19.756 11.405 296 HG22 ILE 34 HG22 ILE 34 2.077 -21.397 11.954 297 HG23 ILE 34 HG23 ILE 34 2.303 -20.969 10.258 298 HD11 ILE 34 HD11 ILE 34 5.472 -21.594 9.536 299 HD12 ILE 34 HD12 ILE 34 3.780 -22.050 9.714 300 HD13 ILE 34 HD13 ILE 34 5.048 -23.142 10.263 301 H HIS 35 HN HIS 35 4.635 -17.199 12.071 302 HA HIS 35 HA HIS 35 2.094 -16.011 11.972 303 HB2 HIS 35 HB2 HIS 35 3.795 -15.493 13.688 304 HB3 HIS 35 HB1 HIS 35 4.772 -14.683 12.463 305 HD2 HIS 35 HD2 HIS 35 1.159 -14.185 14.060 306 HE1 HIS 35 HE1 HIS 35 2.559 -10.479 12.603 307 HE2 HIS 35 HE2 HIS 35 0.672 -11.628 13.855 308 H ASN 36 HN ASN 36 5.067 -15.201 10.158 309 HA ASN 36 HA ASN 36 3.880 -13.141 8.601 310 HB2 ASN 36 HB2 ASN 36 6.348 -14.837 8.204 311 HB3 ASN 36 HB1 ASN 36 5.885 -13.542 7.099 312 HD21 ASN 36 HD21 ASN 36 8.307 -13.454 8.682 313 HD22 ASN 36 HD22 ASN 36 8.153 -12.173 9.784 314 H SER 37 HN SER 37 4.393 -16.594 8.039 315 HA SER 37 HA SER 37 2.986 -16.459 5.459 316 HB2 SER 37 HB2 SER 37 4.426 -18.775 6.775 317 HB3 SER 37 HB1 SER 37 3.765 -18.751 5.144 318 HG SER 37 HG SER 37 5.808 -17.076 6.190 319 H ASN 38 HN ASN 38 1.787 -16.283 8.284 320 HA ASN 38 HA ASN 38 0.399 -18.498 9.074 321 HB2 ASN 38 HB2 ASN 38 0.303 -16.160 10.068 322 HB3 ASN 38 HB1 ASN 38 -0.908 -15.787 8.844 323 HD21 ASN 38 HD21 ASN 38 -2.706 -15.612 10.305 324 HD22 ASN 38 HD22 ASN 38 -3.300 -16.940 11.180 325 H ILE 39 HN ILE 39 -0.857 -19.883 8.065 326 HA ILE 39 HA ILE 39 -2.301 -20.821 6.556 327 HB ILE 39 HB ILE 39 -3.522 -18.085 6.250 328 HG12 ILE 39 HG12 ILE 39 -3.906 -20.047 8.502 329 HG13 ILE 39 HG11 ILE 39 -3.123 -18.478 8.646 330 HG21 ILE 39 HG21 ILE 39 -4.325 -20.046 4.878 331 HG22 ILE 39 HG22 ILE 39 -5.560 -19.342 5.921 332 HG23 ILE 39 HG23 ILE 39 -4.759 -20.843 6.391 333 HD11 ILE 39 HD11 ILE 39 -6.016 -19.016 7.932 334 HD12 ILE 39 HD12 ILE 39 -5.257 -17.429 7.814 335 HD13 ILE 39 HD13 ILE 39 -5.407 -18.221 9.383 336 H LEU 40 HN LEU 40 -0.115 -20.671 5.278 337 HA LEU 40 HA LEU 40 -0.588 -19.173 2.755 338 HB2 LEU 40 HB2 LEU 40 1.452 -18.482 4.021 339 HB3 LEU 40 HB1 LEU 40 2.057 -20.130 3.872 340 HG LEU 40 HG LEU 40 1.935 -19.920 1.390 341 HD11 LEU 40 HD11 LEU 40 1.827 -17.337 0.700 342 HD12 LEU 40 HD12 LEU 40 0.812 -17.239 2.140 343 HD13 LEU 40 HD13 LEU 40 0.367 -18.317 0.817 344 HD21 LEU 40 HD21 LEU 40 3.923 -18.561 1.182 345 HD22 LEU 40 HD22 LEU 40 3.998 -19.374 2.745 346 HD23 LEU 40 HD23 LEU 40 3.533 -17.676 2.657 347 H ASP 41 HN ASP 41 -0.279 -20.240 0.811 348 HA ASP 41 HA ASP 41 -1.035 -22.920 0.678 349 HB2 ASP 41 HB2 ASP 41 0.364 -21.138 -1.314 350 HB3 ASP 41 HB1 ASP 41 -0.160 -22.775 -1.704 351 H GLU 42 HN GLU 42 2.203 -21.479 0.487 352 HA GLU 42 HA GLU 42 3.524 -23.980 0.077 353 HB2 GLU 42 HB2 GLU 42 4.489 -21.803 -0.587 354 HB3 GLU 42 HB1 GLU 42 4.630 -21.363 1.115 355 HG2 GLU 42 HG2 GLU 42 6.123 -23.278 1.507 356 HG3 GLU 42 HG1 GLU 42 5.954 -23.767 -0.178 357 H ARG 43 HN ARG 43 3.065 -21.885 2.920 358 HA ARG 43 HA ARG 43 4.434 -23.679 4.702 359 HB2 ARG 43 HB2 ARG 43 3.954 -21.060 4.848 360 HB3 ARG 43 HB1 ARG 43 2.512 -21.597 5.706 361 HG2 ARG 43 HG2 ARG 43 4.030 -21.399 7.470 362 HG3 ARG 43 HG1 ARG 43 4.238 -23.098 7.048 363 HD2 ARG 43 HD2 ARG 43 6.092 -22.257 5.435 364 HD3 ARG 43 HD1 ARG 43 6.015 -20.759 6.357 365 HE ARG 43 HE ARG 43 6.314 -22.575 8.315 366 HH11 ARG 43 HH21 ARG 43 7.883 -22.136 5.267 367 HH12 ARG 43 HH22 ARG 43 9.402 -22.774 5.800 368 HH21 ARG 43 HH11 ARG 43 8.301 -23.397 9.031 369 HH22 ARG 43 HH12 ARG 43 9.639 -23.489 7.934 370 H GLN 44 HN GLN 44 1.256 -23.510 3.439 371 HA GLN 44 HA GLN 44 -0.321 -24.543 5.470 372 HB2 GLN 44 HB2 GLN 44 -0.421 -24.454 2.530 373 HB3 GLN 44 HB1 GLN 44 -1.246 -25.865 3.179 374 HG2 GLN 44 HG2 GLN 44 -1.756 -23.045 4.173 375 HG3 GLN 44 HG1 GLN 44 -2.711 -23.824 2.912 376 HE21 GLN 44 HE21 GLN 44 -2.912 -23.151 6.092 377 HE22 GLN 44 HE22 GLN 44 -3.754 -24.518 6.645 378 H GLY 45 HN GLY 45 2.031 -26.190 3.418 379 HA2 GLY 45 HA2 GLY 45 1.325 -28.847 4.106 380 HA3 GLY 45 HA1 GLY 45 2.893 -28.323 3.491 381 H LEU 46 HN LEU 46 3.770 -26.605 5.392 382 HA LEU 46 HA LEU 46 4.665 -28.356 7.417 383 HB2 LEU 46 HB2 LEU 46 6.080 -26.521 6.725 384 HB3 LEU 46 HB1 LEU 46 4.854 -25.344 7.191 385 HG LEU 46 HG LEU 46 5.083 -25.990 9.551 386 HD11 LEU 46 HD11 LEU 46 6.857 -28.139 8.395 387 HD12 LEU 46 HD12 LEU 46 5.560 -28.289 9.581 388 HD13 LEU 46 HD13 LEU 46 7.105 -27.579 10.051 389 HD21 LEU 46 HD21 LEU 46 7.553 -25.418 9.840 390 HD22 LEU 46 HD22 LEU 46 6.593 -24.272 8.910 391 HD23 LEU 46 HD23 LEU 46 7.656 -25.410 8.081 392 H MET 47 HN MET 47 2.203 -25.840 7.316 393 HA MET 47 HA MET 47 1.606 -25.588 10.008 394 HB2 MET 47 HB2 MET 47 0.603 -24.216 8.209 395 HB3 MET 47 HB1 MET 47 -0.358 -25.606 7.704 396 HG2 MET 47 HG2 MET 47 -1.476 -25.669 9.874 397 HG3 MET 47 HG1 MET 47 -0.458 -24.356 10.467 398 HE1 MET 47 HE1 MET 47 -1.816 -21.205 9.191 399 HE2 MET 47 HE2 MET 47 -0.304 -22.073 9.447 400 HE3 MET 47 HE3 MET 47 -1.542 -22.085 10.701 401 H HIS 48 HN HIS 48 0.432 -28.019 7.694 402 HA HIS 48 HA HIS 48 -1.286 -29.335 9.542 403 HB2 HIS 48 HB2 HIS 48 -1.535 -29.598 7.116 404 HB3 HIS 48 HB1 HIS 48 0.037 -30.393 7.034 405 HD2 HIS 48 HD2 HIS 48 -0.125 -33.126 7.373 406 HE1 HIS 48 HE1 HIS 48 -3.914 -33.282 9.222 407 HE2 HIS 48 HE2 HIS 48 -2.001 -34.678 8.314 408 H GLU 49 HN GLU 49 2.042 -29.933 8.462 409 HA GLU 49 HA GLU 49 2.431 -32.239 10.113 410 HB2 GLU 49 HB2 GLU 49 4.382 -30.422 8.688 411 HB3 GLU 49 HB1 GLU 49 4.849 -31.890 9.549 412 HG2 GLU 49 HG2 GLU 49 3.400 -33.233 8.108 413 HG3 GLU 49 HG1 GLU 49 2.847 -31.780 7.278 414 H LEU 50 HN LEU 50 2.567 -28.841 10.637 415 HA LEU 50 HA LEU 50 4.432 -28.681 12.719 416 HB2 LEU 50 HB2 LEU 50 3.492 -26.690 11.625 417 HB3 LEU 50 HB1 LEU 50 1.911 -27.058 12.303 418 HG LEU 50 HG LEU 50 2.773 -26.763 14.570 419 HD11 LEU 50 HD11 LEU 50 5.146 -25.671 14.682 420 HD12 LEU 50 HD12 LEU 50 5.401 -26.487 13.137 421 HD13 LEU 50 HD13 LEU 50 5.011 -27.424 14.582 422 HD21 LEU 50 HD21 LEU 50 2.029 -24.797 13.051 423 HD22 LEU 50 HD22 LEU 50 3.744 -24.395 12.974 424 HD23 LEU 50 HD23 LEU 50 2.910 -24.404 14.527 425 H MET 51 HN MET 51 1.002 -29.503 12.717 426 HA MET 51 HA MET 51 0.572 -29.527 15.489 427 HB2 MET 51 HB2 MET 51 -1.232 -29.688 13.799 428 HB3 MET 51 HB1 MET 51 -0.681 -31.313 13.388 429 HG2 MET 51 HG2 MET 51 -1.122 -32.064 15.685 430 HG3 MET 51 HG1 MET 51 -1.618 -30.432 16.128 431 HE1 MET 51 HE1 MET 51 -4.892 -32.258 16.334 432 HE2 MET 51 HE2 MET 51 -3.333 -31.975 17.101 433 HE3 MET 51 HE3 MET 51 -3.581 -33.431 16.141 434 H GLU 52 HN GLU 52 1.795 -32.030 13.299 435 HA GLU 52 HA GLU 52 1.951 -34.089 15.260 436 HB2 GLU 52 HB2 GLU 52 3.405 -33.709 12.634 437 HB3 GLU 52 HB1 GLU 52 3.469 -35.182 13.602 438 HG2 GLU 52 HG2 GLU 52 0.910 -33.943 12.557 439 HG3 GLU 52 HG1 GLU 52 1.760 -35.271 11.769 440 H LEU 53 HN LEU 53 4.258 -31.692 14.048 441 HA LEU 53 HA LEU 53 6.523 -32.648 15.437 442 HB2 LEU 53 HB2 LEU 53 5.811 -29.870 14.473 443 HB3 LEU 53 HB1 LEU 53 7.397 -30.318 15.103 444 HG LEU 53 HG LEU 53 6.048 -31.670 12.743 445 HD11 LEU 53 HD11 LEU 53 7.676 -30.432 11.358 446 HD12 LEU 53 HD12 LEU 53 8.257 -29.593 12.794 447 HD13 LEU 53 HD13 LEU 53 6.611 -29.329 12.226 448 HD21 LEU 53 HD21 LEU 53 7.588 -33.246 13.487 449 HD22 LEU 53 HD22 LEU 53 8.667 -32.036 14.179 450 HD23 LEU 53 HD23 LEU 53 8.625 -32.290 12.433 451 H ILE 54 HN ILE 54 4.001 -30.324 16.324 452 HA ILE 54 HA ILE 54 5.179 -29.522 18.758 453 HB ILE 54 HB ILE 54 2.312 -29.517 17.831 454 HG12 ILE 54 HG12 ILE 54 4.111 -28.057 16.684 455 HG13 ILE 54 HG11 ILE 54 2.656 -27.267 17.255 456 HG21 ILE 54 HG21 ILE 54 2.091 -27.780 19.720 457 HG22 ILE 54 HG22 ILE 54 3.578 -28.480 20.360 458 HG23 ILE 54 HG23 ILE 54 2.139 -29.481 20.175 459 HD11 ILE 54 HD11 ILE 54 3.759 -26.353 19.161 460 HD12 ILE 54 HD12 ILE 54 4.833 -26.062 17.795 461 HD13 ILE 54 HD13 ILE 54 5.175 -27.360 18.926 462 H ASP 55 HN ASP 55 3.380 -32.325 17.825 463 HA ASP 55 HA ASP 55 2.528 -33.142 20.408 464 HB2 ASP 55 HB2 ASP 55 1.634 -33.971 18.188 465 HB3 ASP 55 HB1 ASP 55 3.094 -34.951 18.069 466 H LEU 56 HN LEU 56 5.455 -33.573 18.550 467 HA LEU 56 HA LEU 56 6.609 -35.632 20.075 468 HB2 LEU 56 HB2 LEU 56 7.881 -33.428 18.445 469 HB3 LEU 56 HB1 LEU 56 8.765 -34.801 19.110 470 HG LEU 56 HG LEU 56 6.378 -35.051 17.257 471 HD11 LEU 56 HD11 LEU 56 7.977 -35.519 15.488 472 HD12 LEU 56 HD12 LEU 56 9.323 -35.365 16.616 473 HD13 LEU 56 HD13 LEU 56 8.356 -33.950 16.199 474 HD21 LEU 56 HD21 LEU 56 8.241 -37.003 18.601 475 HD22 LEU 56 HD22 LEU 56 7.622 -37.395 16.995 476 HD23 LEU 56 HD23 LEU 56 6.503 -37.120 18.324 477 H TYR 57 HN TYR 57 6.718 -32.109 20.424 478 HA TYR 57 HA TYR 57 8.477 -32.284 22.739 479 HB2 TYR 57 HB2 TYR 57 7.118 -29.953 21.374 480 HB3 TYR 57 HB1 TYR 57 8.187 -29.797 22.770 481 HD1 TYR 57 HD2 TYR 57 10.575 -30.447 22.606 482 HD2 TYR 57 HD1 TYR 57 7.980 -30.453 19.185 483 HE1 TYR 57 HE2 TYR 57 12.550 -30.533 21.109 484 HE2 TYR 57 HE1 TYR 57 9.954 -30.542 17.687 485 HH TYR 57 HH TYR 57 12.646 -31.506 18.249 486 H GLU 58 HN GLU 58 5.104 -31.329 22.072 487 HA GLU 58 HA GLU 58 4.251 -30.452 24.494 488 HB2 GLU 58 HB2 GLU 58 2.931 -32.026 22.340 489 HB3 GLU 58 HB1 GLU 58 2.072 -31.947 23.873 490 HG2 GLU 58 HG2 GLU 58 3.101 -29.516 22.381 491 HG3 GLU 58 HG1 GLU 58 1.447 -30.120 22.268 492 H GLU 59 HN GLU 59 5.450 -33.595 23.842 493 HA GLU 59 HA GLU 59 4.170 -34.862 26.088 494 HB2 GLU 59 HB2 GLU 59 5.535 -36.764 25.545 495 HB3 GLU 59 HB1 GLU 59 4.977 -36.050 24.033 496 HG2 GLU 59 HG2 GLU 59 7.235 -36.335 23.555 497 HG3 GLU 59 HG1 GLU 59 7.234 -34.692 24.183 498 H SER 60 HN SER 60 7.458 -33.630 25.448 499 HA SER 60 HA SER 60 8.191 -33.942 28.268 500 HB2 SER 60 HB2 SER 60 9.968 -34.715 27.000 501 HB3 SER 60 HB1 SER 60 9.663 -33.578 25.690 502 HG SER 60 HG SER 60 10.556 -31.957 26.914 503 H GLN 61 HN GLN 61 7.144 -31.493 26.095 504 HA GLN 61 HA GLN 61 8.472 -29.250 27.171 505 HB2 GLN 61 HB2 GLN 61 6.655 -29.724 25.088 506 HB3 GLN 61 HB1 GLN 61 5.791 -28.625 26.149 507 HG2 GLN 61 HG2 GLN 61 7.903 -27.182 26.136 508 HG3 GLN 61 HG1 GLN 61 8.473 -28.201 24.815 509 HE21 GLN 61 HE21 GLN 61 7.505 -25.267 24.898 510 HE22 GLN 61 HE22 GLN 61 6.337 -25.200 23.669 511 HA PRO 62 HA PRO 62 4.976 -28.803 30.245 512 HB2 PRO 62 HB2 PRO 62 2.777 -30.422 30.089 513 HB3 PRO 62 HB1 PRO 62 3.014 -29.028 29.016 514 HG2 PRO 62 HG2 PRO 62 3.112 -31.878 28.354 515 HG3 PRO 62 HG1 PRO 62 3.067 -30.476 27.272 516 HD2 PRO 62 HD2 PRO 62 5.422 -32.051 28.136 517 HD3 PRO 62 HD1 PRO 62 5.263 -30.889 26.794 518 H SER 63 HN SER 63 6.511 -29.607 31.687 519 HA SER 63 HA SER 63 6.439 -32.357 32.626 520 HB2 SER 63 HB2 SER 63 8.033 -29.943 33.526 521 HB3 SER 63 HB1 SER 63 8.237 -31.572 34.161 522 HG SER 63 HG SER 63 9.034 -32.224 32.248 523 H SER 64 HN SER 64 4.851 -29.426 33.256 524 HA SER 64 HA SER 64 4.033 -30.313 35.972 525 HB2 SER 64 HB2 SER 64 5.086 -28.212 36.229 526 HB3 SER 64 HB1 SER 64 4.330 -27.553 34.783 527 HG SER 64 HG SER 64 3.072 -26.791 36.367 528 H GLU 65 HN GLU 65 2.923 -31.148 33.352 529 HA GLU 65 HA GLU 65 0.871 -31.558 32.408 530 HB2 GLU 65 HB2 GLU 65 -0.062 -30.601 35.117 531 HB3 GLU 65 HB1 GLU 65 -1.121 -31.298 33.896 532 HG2 GLU 65 HG2 GLU 65 0.170 -33.372 33.906 533 HG3 GLU 65 HG1 GLU 65 1.315 -32.679 35.053 534 H ARG 66 HN ARG 66 2.155 -28.993 32.043 535 HA ARG 66 HA ARG 66 0.096 -26.974 32.027 536 HB2 ARG 66 HB2 ARG 66 2.852 -27.030 30.793 537 HB3 ARG 66 HB1 ARG 66 1.813 -25.608 30.885 538 HG2 ARG 66 HG2 ARG 66 2.545 -27.154 33.367 539 HG3 ARG 66 HG1 ARG 66 3.630 -25.927 32.719 540 HD2 ARG 66 HD2 ARG 66 1.740 -24.284 32.817 541 HD3 ARG 66 HD1 ARG 66 0.758 -25.512 33.605 542 HE ARG 66 HE ARG 66 3.163 -25.257 35.038 543 HH11 ARG 66 HH21 ARG 66 0.310 -23.492 34.226 544 HH12 ARG 66 HH22 ARG 66 0.289 -22.571 35.693 545 HH21 ARG 66 HH11 ARG 66 3.150 -24.060 36.973 546 HH22 ARG 66 HH12 ARG 66 1.899 -22.894 37.252 547 H LEU 67 HN LEU 67 0.959 -29.537 29.987 548 HA LEU 67 HA LEU 67 0.665 -28.730 27.416 549 HB2 LEU 67 HB2 LEU 67 -0.561 -30.874 26.990 550 HB3 LEU 67 HB1 LEU 67 0.938 -31.055 27.893 551 HG LEU 67 HG LEU 67 -1.110 -30.606 29.851 552 HD11 LEU 67 HD11 LEU 67 -2.693 -31.264 28.005 553 HD12 LEU 67 HD12 LEU 67 -2.732 -32.331 29.410 554 HD13 LEU 67 HD13 LEU 67 -1.884 -32.831 27.947 555 HD21 LEU 67 HD21 LEU 67 0.953 -31.981 30.108 556 HD22 LEU 67 HD22 LEU 67 0.254 -33.196 29.036 557 HD23 LEU 67 HD23 LEU 67 -0.500 -32.859 30.594 558 H ASN 68 HN ASN 68 -1.698 -28.485 29.914 559 HA ASN 68 HA ASN 68 -4.071 -28.396 28.404 560 HB2 ASN 68 HB2 ASN 68 -4.117 -28.537 30.833 561 HB3 ASN 68 HB1 ASN 68 -3.332 -26.964 30.969 562 HD21 ASN 68 HD21 ASN 68 -6.391 -28.580 30.310 563 HD22 ASN 68 HD22 ASN 68 -7.330 -27.167 30.242 564 H ALA 69 HN ALA 69 -1.719 -25.884 29.252 565 HA ALA 69 HA ALA 69 -3.169 -23.751 28.020 566 HB1 ALA 69 HB1 ALA 69 -0.245 -24.010 28.771 567 HB2 ALA 69 HB2 ALA 69 -1.519 -23.262 29.735 568 HB3 ALA 69 HB3 ALA 69 -1.009 -22.519 28.219 569 H PHE 70 HN PHE 70 -0.585 -25.935 26.993 570 HA PHE 70 HA PHE 70 -0.090 -24.711 24.478 571 HB2 PHE 70 HB2 PHE 70 0.415 -27.508 25.478 572 HB3 PHE 70 HB1 PHE 70 0.954 -26.914 23.910 573 HD1 PHE 70 HD2 PHE 70 1.317 -26.509 27.579 574 HD2 PHE 70 HD1 PHE 70 2.774 -25.353 23.707 575 HE1 PHE 70 HE2 PHE 70 3.302 -25.469 28.638 576 HE2 PHE 70 HE1 PHE 70 4.756 -24.308 24.766 577 HZ PHE 70 HZ PHE 70 5.022 -24.366 27.231 578 H ARG 71 HN ARG 71 -2.330 -27.196 25.563 579 HA ARG 71 HA ARG 71 -3.171 -28.324 23.204 580 HB2 ARG 71 HB2 ARG 71 -4.605 -27.596 25.741 581 HB3 ARG 71 HB1 ARG 71 -5.528 -28.262 24.397 582 HG2 ARG 71 HG2 ARG 71 -3.006 -29.659 25.280 583 HG3 ARG 71 HG1 ARG 71 -4.483 -29.877 26.218 584 HD2 ARG 71 HD2 ARG 71 -5.663 -30.584 24.151 585 HD3 ARG 71 HD1 ARG 71 -4.154 -30.431 23.254 586 HE ARG 71 HE ARG 71 -3.870 -32.143 25.536 587 HH11 ARG 71 HH21 ARG 71 -5.055 -31.899 22.304 588 HH12 ARG 71 HH22 ARG 71 -4.870 -33.585 21.956 589 HH21 ARG 71 HH11 ARG 71 -3.615 -34.358 25.098 590 HH22 ARG 71 HH12 ARG 71 -4.052 -34.982 23.543 591 H GLU 72 HN GLU 72 -3.482 -25.057 24.229 592 HA GLU 72 HA GLU 72 -5.698 -24.293 22.617 593 HB2 GLU 72 HB2 GLU 72 -3.363 -22.714 23.717 594 HB3 GLU 72 HB1 GLU 72 -4.727 -21.983 22.866 595 HG2 GLU 72 HG2 GLU 72 -6.282 -22.892 24.525 596 HG3 GLU 72 HG1 GLU 72 -4.952 -23.695 25.357 597 H LEU 73 HN LEU 73 -2.202 -24.441 22.088 598 HA LEU 73 HA LEU 73 -2.167 -23.240 19.529 599 HB2 LEU 73 HB2 LEU 73 -0.111 -23.522 20.784 600 HB3 LEU 73 HB1 LEU 73 -0.314 -25.272 20.794 601 HG LEU 73 HG LEU 73 -0.055 -25.362 18.364 602 HD11 LEU 73 HD11 LEU 73 0.729 -23.100 17.280 603 HD12 LEU 73 HD12 LEU 73 -0.149 -22.362 18.623 604 HD13 LEU 73 HD13 LEU 73 -0.991 -23.409 17.486 605 HD21 LEU 73 HD21 LEU 73 2.258 -24.869 18.249 606 HD22 LEU 73 HD22 LEU 73 1.944 -25.235 19.948 607 HD23 LEU 73 HD23 LEU 73 2.122 -23.567 19.425 608 H ARG 74 HN ARG 74 -2.468 -26.605 20.574 609 HA ARG 74 HA ARG 74 -2.419 -27.875 18.101 610 HB2 ARG 74 HB2 ARG 74 -3.930 -28.501 20.641 611 HB3 ARG 74 HB1 ARG 74 -3.923 -29.583 19.251 612 HG2 ARG 74 HG2 ARG 74 -1.395 -28.587 20.598 613 HG3 ARG 74 HG1 ARG 74 -2.183 -30.101 21.033 614 HD2 ARG 74 HD2 ARG 74 -2.029 -30.533 18.401 615 HD3 ARG 74 HD1 ARG 74 -0.694 -29.389 18.530 616 HE ARG 74 HE ARG 74 0.518 -31.026 19.651 617 HH11 ARG 74 HH21 ARG 74 -2.851 -31.778 19.559 618 HH12 ARG 74 HH22 ARG 74 -2.662 -33.377 20.199 619 HH21 ARG 74 HH11 ARG 74 0.779 -33.135 20.496 620 HH22 ARG 74 HH12 ARG 74 -0.606 -34.147 20.727 621 H THR 75 HN THR 75 -5.075 -26.315 19.820 622 HA THR 75 HA THR 75 -7.124 -27.006 18.030 623 HB THR 75 HB THR 75 -6.847 -24.618 19.795 624 HG1 THR 75 HG1 THR 75 -7.234 -26.018 21.283 625 HG21 THR 75 HG21 THR 75 -9.398 -24.714 19.623 626 HG22 THR 75 HG22 THR 75 -9.140 -25.751 18.221 627 HG23 THR 75 HG23 THR 75 -8.526 -24.098 18.221 628 H GLN 76 HN GLN 76 -4.970 -24.193 18.169 629 HA GLN 76 HA GLN 76 -6.077 -22.709 16.075 630 HB2 GLN 76 HB2 GLN 76 -3.215 -22.946 17.016 631 HB3 GLN 76 HB1 GLN 76 -3.765 -21.740 15.853 632 HG2 GLN 76 HG2 GLN 76 -5.331 -20.828 17.494 633 HG3 GLN 76 HG1 GLN 76 -4.880 -22.079 18.652 634 HE21 GLN 76 HE21 GLN 76 -4.424 -19.758 19.787 635 HE22 GLN 76 HE22 GLN 76 -2.812 -19.238 19.663 636 H LEU 77 HN LEU 77 -3.434 -25.101 15.993 637 HA LEU 77 HA LEU 77 -3.070 -25.024 13.182 638 HB2 LEU 77 HB2 LEU 77 -2.509 -27.359 15.026 639 HB3 LEU 77 HB1 LEU 77 -1.768 -27.044 13.460 640 HG LEU 77 HG LEU 77 -1.467 -25.375 15.971 641 HD11 LEU 77 HD11 LEU 77 -0.132 -27.377 16.039 642 HD12 LEU 77 HD12 LEU 77 0.922 -26.004 15.713 643 HD13 LEU 77 HD13 LEU 77 0.458 -27.089 14.402 644 HD21 LEU 77 HD21 LEU 77 0.271 -24.183 14.451 645 HD22 LEU 77 HD22 LEU 77 -1.429 -23.775 14.234 646 HD23 LEU 77 HD23 LEU 77 -0.641 -24.883 13.111 647 H GLU 78 HN GLU 78 -5.094 -26.988 15.304 648 HA GLU 78 HA GLU 78 -6.037 -28.799 13.355 649 HB2 GLU 78 HB2 GLU 78 -6.307 -29.084 15.817 650 HB3 GLU 78 HB1 GLU 78 -7.495 -27.780 15.804 651 HG2 GLU 78 HG2 GLU 78 -8.898 -29.057 14.235 652 HG3 GLU 78 HG1 GLU 78 -7.706 -30.356 14.223 653 H LYS 79 HN LYS 79 -7.341 -25.696 14.523 654 HA LYS 79 HA LYS 79 -9.620 -25.693 12.830 655 HB2 LYS 79 HB2 LYS 79 -8.158 -23.499 14.301 656 HB3 LYS 79 HB1 LYS 79 -9.586 -23.188 13.314 657 HG2 LYS 79 HG2 LYS 79 -10.857 -24.840 14.659 658 HG3 LYS 79 HG1 LYS 79 -9.432 -25.094 15.668 659 HD2 LYS 79 HD2 LYS 79 -9.461 -22.763 16.376 660 HD3 LYS 79 HD1 LYS 79 -10.801 -22.417 15.281 661 HE2 LYS 79 HE2 LYS 79 -10.965 -24.468 17.503 662 HE3 LYS 79 HE1 LYS 79 -11.477 -22.791 17.695 663 HZ1 LYS 79 HZ1 LYS 79 -13.362 -23.225 16.644 664 HZ2 LYS 79 HZ2 LYS 79 -12.952 -24.873 16.646 665 HZ3 LYS 79 HZ3 LYS 79 -12.547 -23.896 15.317 666 H ALA 80 HN ALA 80 -6.354 -24.380 12.531 667 HA ALA 80 HA ALA 80 -6.759 -22.965 10.143 668 HB1 ALA 80 HB1 ALA 80 -4.721 -22.928 11.730 669 HB2 ALA 80 HB2 ALA 80 -4.421 -22.781 9.998 670 HB3 ALA 80 HB3 ALA 80 -4.157 -24.325 10.811 671 H LEU 81 HN LEU 81 -6.020 -26.343 10.794 672 HA LEU 81 HA LEU 81 -5.384 -27.122 8.163 673 HB2 LEU 81 HB2 LEU 81 -4.923 -28.587 10.057 674 HB3 LEU 81 HB1 LEU 81 -6.643 -28.703 10.422 675 HG LEU 81 HG LEU 81 -7.061 -29.839 8.294 676 HD11 LEU 81 HD11 LEU 81 -5.549 -28.956 6.734 677 HD12 LEU 81 HD12 LEU 81 -4.886 -30.564 7.018 678 HD13 LEU 81 HD13 LEU 81 -4.163 -29.162 7.806 679 HD21 LEU 81 HD21 LEU 81 -5.718 -31.901 8.705 680 HD22 LEU 81 HD22 LEU 81 -6.442 -31.252 10.175 681 HD23 LEU 81 HD23 LEU 81 -4.728 -30.993 9.849 682 H GLY 82 HN GLY 82 -8.462 -26.977 9.913 683 HA2 GLY 82 HA2 GLY 82 -10.005 -28.003 7.717 684 HA3 GLY 82 HA1 GLY 82 -10.641 -27.260 9.183 685 H LEU 83 HN LEU 83 -8.274 -25.355 7.752 686 HA LEU 83 HA LEU 83 -8.323 -23.332 6.669 687 HB2 LEU 83 HB2 LEU 83 -10.726 -24.508 5.252 688 HB3 LEU 83 HB1 LEU 83 -9.712 -23.181 4.688 689 HG LEU 83 HG LEU 83 -8.757 -26.018 5.178 690 HD11 LEU 83 HD11 LEU 83 -9.258 -24.518 2.588 691 HD12 LEU 83 HD12 LEU 83 -10.266 -25.816 3.229 692 HD13 LEU 83 HD13 LEU 83 -8.610 -26.153 2.725 693 HD21 LEU 83 HD21 LEU 83 -6.853 -24.678 5.479 694 HD22 LEU 83 HD22 LEU 83 -7.397 -23.459 4.327 695 HD23 LEU 83 HD23 LEU 83 -6.784 -25.012 3.751 696 H GLU 84 HN GLU 84 -9.562 -23.404 9.169 697 HA GLU 84 HA GLU 84 -11.978 -21.719 8.853 698 HB2 GLU 84 HB2 GLU 84 -12.160 -23.729 10.314 699 HB3 GLU 84 HB1 GLU 84 -10.890 -23.060 11.341 700 HG2 GLU 84 HG2 GLU 84 -12.262 -21.081 11.796 701 HG3 GLU 84 HG1 GLU 84 -13.518 -21.681 10.715 702 H HIS 85 HN HIS 85 -11.647 -19.609 8.927 703 HA HIS 85 HA HIS 85 -9.667 -18.508 10.829 704 HB2 HIS 85 HB2 HIS 85 -8.645 -18.570 8.565 705 HB3 HIS 85 HB1 HIS 85 -9.987 -17.599 7.958 706 HD2 HIS 85 HD2 HIS 85 -9.501 -14.892 8.159 707 HE1 HIS 85 HE1 HIS 85 -6.536 -15.033 11.162 708 HE2 HIS 85 HE2 HIS 85 -7.818 -13.501 9.593 709 H HIS 86 HN HIS 86 -12.751 -18.759 10.307 710 HA HIS 86 HA HIS 86 -14.617 -17.485 10.719 711 HB2 HIS 86 HB2 HIS 86 -12.605 -15.710 12.123 712 HB3 HIS 86 HB1 HIS 86 -14.353 -15.672 12.350 713 HD2 HIS 86 HD2 HIS 86 -11.315 -17.542 13.756 714 HE1 HIS 86 HE1 HIS 86 -14.711 -19.745 14.953 715 HE2 HIS 86 HE2 HIS 86 -12.210 -19.462 15.284 716 H HIS 87 HN HIS 87 -15.034 -16.916 8.557 717 HA HIS 87 HA HIS 87 -13.798 -14.660 7.295 718 HB2 HIS 87 HB2 HIS 87 -15.477 -14.980 5.548 719 HB3 HIS 87 HB1 HIS 87 -14.789 -16.536 6.015 720 HD2 HIS 87 HD2 HIS 87 -18.185 -14.572 6.412 721 HE1 HIS 87 HE1 HIS 87 -18.790 -18.550 7.688 722 HE2 HIS 87 HE2 HIS 87 -19.940 -16.341 7.194 723 H HIS 88 HN HIS 88 -14.448 -12.564 7.187 724 HA HIS 88 HA HIS 88 -16.889 -11.799 8.704 725 HB2 HIS 88 HB2 HIS 88 -14.248 -10.337 8.475 726 HB3 HIS 88 HB1 HIS 88 -15.692 -9.701 9.261 727 HD2 HIS 88 HD2 HIS 88 -12.775 -12.140 10.036 728 HE1 HIS 88 HE1 HIS 88 -15.506 -12.418 13.242 729 HE2 HIS 88 HE2 HIS 88 -13.191 -13.080 12.437 730 H HIS 89 HN HIS 89 -18.245 -10.341 7.813 731 HA HIS 89 HA HIS 89 -18.102 -9.930 4.966 732 HB2 HIS 89 HB2 HIS 89 -20.275 -8.834 5.261 733 HB3 HIS 89 HB1 HIS 89 -20.232 -10.363 6.138 734 HD2 HIS 89 HD2 HIS 89 -20.893 -6.652 6.870 735 HE1 HIS 89 HE1 HIS 89 -20.305 -8.513 10.613 736 HE2 HIS 89 HE2 HIS 89 -21.084 -6.389 9.461 737 H HIS 90 HN HIS 90 -17.390 -8.178 3.885 738 HA HIS 90 HA HIS 90 -15.940 -6.126 5.203 739 HB2 HIS 90 HB2 HIS 90 -17.011 -6.240 2.371 740 HB3 HIS 90 HB1 HIS 90 -15.841 -5.062 2.965 741 HD2 HIS 90 HD2 HIS 90 -15.787 -8.483 1.339 742 HE1 HIS 90 HE1 HIS 90 -12.115 -8.173 3.397 743 HE2 HIS 90 HE2 HIS 90 -13.415 -9.519 1.680 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -9.938 -13.450 14.152 2 H2 MET 1 HT2 MET 1 -8.815 -13.393 12.877 3 H3 MET 1 HT3 MET 1 -10.245 -12.478 12.797 4 HA MET 1 HA MET 1 -8.994 -10.797 13.530 5 HB2 MET 1 HB2 MET 1 -9.305 -12.482 16.029 6 HB3 MET 1 HB1 MET 1 -8.758 -10.805 16.043 7 HG2 MET 1 HG2 MET 1 -10.853 -10.132 14.895 8 HG3 MET 1 HG1 MET 1 -11.409 -11.804 14.959 9 HE1 MET 1 HE1 MET 1 -12.222 -12.606 18.470 10 HE2 MET 1 HE2 MET 1 -10.546 -12.843 17.985 11 HE3 MET 1 HE3 MET 1 -11.840 -13.127 16.825 12 H GLY 2 HN GLY 2 -7.609 -13.604 15.253 13 HA2 GLY 2 HA2 GLY 2 -5.157 -13.711 13.958 14 HA3 GLY 2 HA1 GLY 2 -4.963 -12.557 15.274 15 H VAL 3 HN VAL 3 -3.352 -14.469 15.706 16 HA VAL 3 HA VAL 3 -4.642 -16.221 17.711 17 HB VAL 3 HB VAL 3 -4.338 -17.648 15.793 18 HG11 VAL 3 HG11 VAL 3 -1.447 -16.733 15.762 19 HG12 VAL 3 HG12 VAL 3 -2.685 -16.184 14.632 20 HG13 VAL 3 HG13 VAL 3 -2.198 -17.880 14.650 21 HG21 VAL 3 HG21 VAL 3 -2.944 -19.342 16.748 22 HG22 VAL 3 HG22 VAL 3 -3.615 -18.446 18.110 23 HG23 VAL 3 HG23 VAL 3 -1.955 -18.150 17.594 24 H TRP 4 HN TRP 4 -3.464 -16.570 19.538 25 HA TRP 4 HA TRP 4 -1.194 -14.797 19.982 26 HB2 TRP 4 HB2 TRP 4 -2.510 -16.712 21.917 27 HB3 TRP 4 HB1 TRP 4 -1.469 -15.342 22.308 28 HD1 TRP 4 HD1 TRP 4 -5.017 -16.255 21.690 29 HE1 TRP 4 HE1 TRP 4 -6.490 -14.139 21.671 30 HE3 TRP 4 HE3 TRP 4 -1.394 -12.660 21.519 31 HZ2 TRP 4 HZ2 TRP 4 -6.173 -11.297 21.594 32 HZ3 TRP 4 HZ3 TRP 4 -2.008 -10.259 21.472 33 HH2 TRP 4 HH2 TRP 4 -4.390 -9.574 21.509 34 H THR 5 HN THR 5 0.864 -15.405 20.248 35 HA THR 5 HA THR 5 1.878 -17.883 20.974 36 HB THR 5 HB THR 5 2.625 -17.936 18.164 37 HG1 THR 5 HG1 THR 5 0.377 -16.953 18.223 38 HG21 THR 5 HG21 THR 5 1.821 -20.227 18.294 39 HG22 THR 5 HG22 THR 5 0.977 -19.860 19.797 40 HG23 THR 5 HG23 THR 5 2.736 -19.835 19.753 41 HA PRO 6 HA PRO 6 5.189 -15.072 18.565 42 HB2 PRO 6 HB2 PRO 6 3.555 -12.574 18.943 43 HB3 PRO 6 HB1 PRO 6 4.712 -12.978 17.653 44 HG2 PRO 6 HG2 PRO 6 2.126 -13.132 17.186 45 HG3 PRO 6 HG1 PRO 6 3.212 -14.398 16.582 46 HD2 PRO 6 HD2 PRO 6 1.336 -14.474 18.914 47 HD3 PRO 6 HD1 PRO 6 1.748 -15.770 17.765 48 H GLU 7 HN GLU 7 6.405 -13.035 19.586 49 HA GLU 7 HA GLU 7 7.242 -13.603 22.104 50 HB2 GLU 7 HB2 GLU 7 8.246 -11.865 20.647 51 HB3 GLU 7 HB1 GLU 7 6.892 -10.797 21.027 52 HG2 GLU 7 HG2 GLU 7 7.472 -10.831 23.393 53 HG3 GLU 7 HG1 GLU 7 8.758 -11.999 23.092 54 H VAL 8 HN VAL 8 4.200 -12.264 21.222 55 HA VAL 8 HA VAL 8 3.472 -10.920 23.574 56 HB VAL 8 HB VAL 8 2.128 -10.826 21.513 57 HG11 VAL 8 HG11 VAL 8 1.198 -13.628 22.174 58 HG12 VAL 8 HG12 VAL 8 2.490 -13.314 21.018 59 HG13 VAL 8 HG13 VAL 8 0.870 -12.689 20.718 60 HG21 VAL 8 HG21 VAL 8 0.533 -12.094 23.758 61 HG22 VAL 8 HG22 VAL 8 -0.044 -10.932 22.565 62 HG23 VAL 8 HG23 VAL 8 1.111 -10.429 23.799 63 H LEU 9 HN LEU 9 3.227 -14.346 22.663 64 HA LEU 9 HA LEU 9 1.878 -15.189 24.996 65 HB2 LEU 9 HB2 LEU 9 2.452 -16.422 22.700 66 HB3 LEU 9 HB1 LEU 9 3.837 -17.002 23.613 67 HG LEU 9 HG LEU 9 2.054 -18.620 23.848 68 HD11 LEU 9 HD11 LEU 9 2.006 -17.073 26.437 69 HD12 LEU 9 HD12 LEU 9 3.469 -17.886 25.880 70 HD13 LEU 9 HD13 LEU 9 2.008 -18.820 26.198 71 HD21 LEU 9 HD21 LEU 9 0.299 -16.529 23.537 72 HD22 LEU 9 HD22 LEU 9 0.167 -16.804 25.273 73 HD23 LEU 9 HD23 LEU 9 -0.159 -18.117 24.145 74 H LYS 10 HN LYS 10 5.332 -15.126 24.150 75 HA LYS 10 HA LYS 10 6.259 -16.150 26.617 76 HB2 LYS 10 HB2 LYS 10 7.601 -16.052 24.513 77 HB3 LYS 10 HB1 LYS 10 7.733 -14.306 24.729 78 HG2 LYS 10 HG2 LYS 10 8.963 -14.554 26.770 79 HG3 LYS 10 HG1 LYS 10 8.584 -16.274 26.870 80 HD2 LYS 10 HD2 LYS 10 10.906 -15.831 26.051 81 HD3 LYS 10 HD1 LYS 10 9.927 -16.742 24.903 82 HE2 LYS 10 HE2 LYS 10 9.631 -14.882 23.488 83 HE3 LYS 10 HE1 LYS 10 10.093 -13.733 24.748 84 HZ1 LYS 10 HZ1 LYS 10 11.878 -14.019 23.172 85 HZ2 LYS 10 HZ2 LYS 10 11.877 -15.699 23.417 86 HZ3 LYS 10 HZ3 LYS 10 12.340 -14.655 24.674 87 H ALA 11 HN ALA 11 5.289 -12.976 25.568 88 HA ALA 11 HA ALA 11 6.488 -11.258 27.318 89 HB1 ALA 11 HB1 ALA 11 4.628 -9.820 27.072 90 HB2 ALA 11 HB2 ALA 11 3.506 -11.167 26.884 91 HB3 ALA 11 HB3 ALA 11 4.643 -10.779 25.594 92 H ARG 12 HN ARG 12 3.636 -13.276 28.004 93 HA ARG 12 HA ARG 12 3.392 -12.502 30.727 94 HB2 ARG 12 HB2 ARG 12 2.448 -14.971 29.247 95 HB3 ARG 12 HB1 ARG 12 1.979 -14.572 30.899 96 HG2 ARG 12 HG2 ARG 12 1.581 -12.563 28.682 97 HG3 ARG 12 HG1 ARG 12 0.410 -13.855 28.928 98 HD2 ARG 12 HD2 ARG 12 0.132 -13.135 31.284 99 HD3 ARG 12 HD1 ARG 12 1.257 -11.812 31.009 100 HE ARG 12 HE ARG 12 -1.479 -12.008 30.004 101 HH11 ARG 12 HH21 ARG 12 1.607 -10.432 29.920 102 HH12 ARG 12 HH22 ARG 12 0.985 -8.957 29.257 103 HH21 ARG 12 HH11 ARG 12 -2.292 -10.080 29.133 104 HH22 ARG 12 HH12 ARG 12 -1.221 -8.758 28.811 105 H ALA 13 HN ALA 13 5.105 -15.067 29.056 106 HA ALA 13 HA ALA 13 6.026 -16.343 31.476 107 HB1 ALA 13 HB1 ALA 13 7.193 -16.725 28.722 108 HB2 ALA 13 HB2 ALA 13 5.670 -17.474 29.201 109 HB3 ALA 13 HB3 ALA 13 7.155 -17.867 30.066 110 H SER 14 HN SER 14 6.746 -13.474 30.092 111 HA SER 14 HA SER 14 9.576 -13.412 30.050 112 HB2 SER 14 HB2 SER 14 7.993 -11.693 29.053 113 HB3 SER 14 HB1 SER 14 7.751 -11.087 30.689 114 HG SER 14 HG SER 14 9.538 -10.214 29.215 115 H VAL 15 HN VAL 15 7.401 -13.744 32.600 116 HA VAL 15 HA VAL 15 8.611 -12.256 34.663 117 HB VAL 15 HB VAL 15 7.083 -14.868 34.754 118 HG11 VAL 15 HG11 VAL 15 6.696 -14.120 37.173 119 HG12 VAL 15 HG12 VAL 15 8.043 -13.008 36.936 120 HG13 VAL 15 HG13 VAL 15 8.302 -14.748 36.801 121 HG21 VAL 15 HG21 VAL 15 5.932 -12.803 33.846 122 HG22 VAL 15 HG22 VAL 15 6.195 -12.049 35.419 123 HG23 VAL 15 HG23 VAL 15 5.181 -13.486 35.288 124 H ILE 16 HN ILE 16 9.157 -15.586 33.539 125 HA ILE 16 HA ILE 16 11.751 -15.596 34.991 126 HB ILE 16 HB ILE 16 10.074 -17.095 36.051 127 HG12 ILE 16 HG12 ILE 16 12.217 -18.689 34.622 128 HG13 ILE 16 HG11 ILE 16 12.577 -17.574 35.942 129 HG21 ILE 16 HG21 ILE 16 8.954 -17.571 33.760 130 HG22 ILE 16 HG22 ILE 16 9.093 -18.909 34.900 131 HG23 ILE 16 HG23 ILE 16 10.220 -18.782 33.549 132 HD11 ILE 16 HD11 ILE 16 12.282 -19.930 36.722 133 HD12 ILE 16 HD12 ILE 16 10.619 -19.880 36.139 134 HD13 ILE 16 HD13 ILE 16 11.125 -18.817 37.452 135 H GLY 17 HN GLY 17 13.450 -15.828 33.707 136 HA2 GLY 17 HA2 GLY 17 13.172 -16.198 30.888 137 HA3 GLY 17 HA1 GLY 17 14.690 -16.127 31.785 138 H LYS 18 HN LYS 18 13.873 -17.922 29.607 139 HA LYS 18 HA LYS 18 14.927 -20.351 30.635 140 HB2 LYS 18 HB2 LYS 18 12.511 -20.356 31.499 141 HB3 LYS 18 HB1 LYS 18 12.030 -20.564 29.814 142 HG2 LYS 18 HG2 LYS 18 13.509 -22.571 29.681 143 HG3 LYS 18 HG1 LYS 18 13.858 -22.390 31.400 144 HD2 LYS 18 HD2 LYS 18 11.495 -22.677 31.948 145 HD3 LYS 18 HD1 LYS 18 11.085 -22.760 30.234 146 HE2 LYS 18 HE2 LYS 18 12.433 -24.792 29.985 147 HE3 LYS 18 HE1 LYS 18 12.915 -24.699 31.679 148 HZ1 LYS 18 HZ1 LYS 18 10.877 -25.346 32.396 149 HZ2 LYS 18 HZ2 LYS 18 10.884 -26.150 30.899 150 HZ3 LYS 18 HZ3 LYS 18 10.056 -24.676 31.072 151 HA PRO 19 HA PRO 19 14.777 -19.437 25.985 152 HB2 PRO 19 HB2 PRO 19 17.481 -19.005 25.663 153 HB3 PRO 19 HB1 PRO 19 16.310 -17.714 26.001 154 HG2 PRO 19 HG2 PRO 19 18.129 -19.150 27.880 155 HG3 PRO 19 HG1 PRO 19 17.732 -17.425 27.795 156 HD2 PRO 19 HD2 PRO 19 16.593 -19.069 29.632 157 HD3 PRO 19 HD1 PRO 19 15.710 -17.697 28.926 158 H ILE 20 HN ILE 20 14.671 -21.282 24.867 159 HA ILE 20 HA ILE 20 16.207 -23.613 25.702 160 HB ILE 20 HB ILE 20 13.735 -23.670 25.055 161 HG12 ILE 20 HG12 ILE 20 15.476 -25.521 23.406 162 HG13 ILE 20 HG11 ILE 20 15.356 -25.661 25.159 163 HG21 ILE 20 HG21 ILE 20 13.112 -23.573 22.773 164 HG22 ILE 20 HG22 ILE 20 14.781 -23.711 22.222 165 HG23 ILE 20 HG23 ILE 20 14.221 -22.216 22.969 166 HD11 ILE 20 HD11 ILE 20 13.013 -25.787 23.235 167 HD12 ILE 20 HD12 ILE 20 12.925 -25.956 24.988 168 HD13 ILE 20 HD13 ILE 20 13.762 -27.173 24.026 169 H GLY 21 HN GLY 21 17.148 -24.993 23.876 170 HA2 GLY 21 HA2 GLY 21 19.373 -23.843 22.777 171 HA3 GLY 21 HA1 GLY 21 18.581 -25.254 22.080 172 H GLU 22 HN GLU 22 19.941 -23.023 20.735 173 HA GLU 22 HA GLU 22 18.144 -21.197 19.592 174 HB2 GLU 22 HB2 GLU 22 20.718 -22.371 18.527 175 HB3 GLU 22 HB1 GLU 22 19.858 -21.034 17.763 176 HG2 GLU 22 HG2 GLU 22 20.065 -19.698 19.808 177 HG3 GLU 22 HG1 GLU 22 20.863 -21.041 20.624 178 H SER 23 HN SER 23 19.186 -24.412 18.475 179 HA SER 23 HA SER 23 17.803 -24.403 16.027 180 HB2 SER 23 HB2 SER 23 19.404 -26.110 16.349 181 HB3 SER 23 HB1 SER 23 18.689 -26.603 17.881 182 HG SER 23 HG SER 23 16.933 -26.678 15.790 183 H TYR 24 HN TYR 24 16.816 -25.602 19.232 184 HA TYR 24 HA TYR 24 14.208 -26.396 18.385 185 HB2 TYR 24 HB2 TYR 24 15.325 -25.811 21.129 186 HB3 TYR 24 HB1 TYR 24 13.732 -26.504 20.834 187 HD1 TYR 24 HD2 TYR 24 17.379 -27.056 20.480 188 HD2 TYR 24 HD1 TYR 24 13.468 -28.801 20.154 189 HE1 TYR 24 HE2 TYR 24 18.399 -29.306 20.274 190 HE2 TYR 24 HE1 TYR 24 14.489 -31.052 19.946 191 HH TYR 24 HH TYR 24 17.457 -31.650 19.103 192 H LYS 25 HN LYS 25 15.568 -23.472 19.817 193 HA LYS 25 HA LYS 25 13.200 -22.114 20.432 194 HB2 LYS 25 HB2 LYS 25 15.450 -21.352 21.121 195 HB3 LYS 25 HB1 LYS 25 15.815 -20.943 19.446 196 HG2 LYS 25 HG2 LYS 25 14.050 -19.284 19.405 197 HG3 LYS 25 HG1 LYS 25 13.502 -19.765 21.012 198 HD2 LYS 25 HD2 LYS 25 15.685 -19.056 21.945 199 HD3 LYS 25 HD1 LYS 25 16.203 -18.560 20.333 200 HE2 LYS 25 HE2 LYS 25 15.420 -16.559 21.335 201 HE3 LYS 25 HE1 LYS 25 14.086 -17.080 20.306 202 HZ1 LYS 25 HZ1 LYS 25 13.294 -16.470 22.494 203 HZ2 LYS 25 HZ2 LYS 25 14.343 -17.591 23.222 204 HZ3 LYS 25 HZ3 LYS 25 13.068 -18.131 22.238 205 H ARG 26 HN ARG 26 14.354 -23.129 17.437 206 HA ARG 26 HA ARG 26 13.583 -21.059 15.714 207 HB2 ARG 26 HB2 ARG 26 14.886 -23.066 15.037 208 HB3 ARG 26 HB1 ARG 26 13.423 -24.039 15.203 209 HG2 ARG 26 HG2 ARG 26 12.297 -22.594 13.514 210 HG3 ARG 26 HG1 ARG 26 13.800 -21.690 13.318 211 HD2 ARG 26 HD2 ARG 26 14.928 -23.855 12.702 212 HD3 ARG 26 HD1 ARG 26 13.342 -24.624 12.720 213 HE ARG 26 HE ARG 26 14.338 -22.729 10.732 214 HH11 ARG 26 HH21 ARG 26 11.673 -24.469 12.101 215 HH12 ARG 26 HH22 ARG 26 10.679 -24.322 10.692 216 HH21 ARG 26 HH11 ARG 26 13.034 -22.527 8.889 217 HH22 ARG 26 HH12 ARG 26 11.446 -23.220 8.876 218 H ILE 27 HN ILE 27 11.738 -23.556 17.354 219 HA ILE 27 HA ILE 27 9.371 -23.337 15.865 220 HB ILE 27 HB ILE 27 9.898 -25.144 17.515 221 HG12 ILE 27 HG12 ILE 27 7.304 -23.744 18.212 222 HG13 ILE 27 HG11 ILE 27 7.544 -24.544 16.659 223 HG21 ILE 27 HG21 ILE 27 10.666 -23.403 19.266 224 HG22 ILE 27 HG22 ILE 27 9.727 -24.775 19.848 225 HG23 ILE 27 HG23 ILE 27 8.953 -23.205 19.632 226 HD11 ILE 27 HD11 ILE 27 7.525 -25.780 19.417 227 HD12 ILE 27 HD12 ILE 27 8.235 -26.621 18.038 228 HD13 ILE 27 HD13 ILE 27 6.528 -26.194 18.027 229 H LEU 28 HN LEU 28 10.416 -21.703 18.827 230 HA LEU 28 HA LEU 28 8.095 -20.132 19.156 231 HB2 LEU 28 HB2 LEU 28 9.992 -20.604 20.847 232 HB3 LEU 28 HB1 LEU 28 10.855 -19.295 20.042 233 HG LEU 28 HG LEU 28 8.593 -17.966 20.415 234 HD11 LEU 28 HD11 LEU 28 8.481 -20.107 22.566 235 HD12 LEU 28 HD12 LEU 28 7.286 -19.843 21.296 236 HD13 LEU 28 HD13 LEU 28 7.511 -18.635 22.559 237 HD21 LEU 28 HD21 LEU 28 10.700 -17.295 21.418 238 HD22 LEU 28 HD22 LEU 28 10.595 -18.594 22.606 239 HD23 LEU 28 HD23 LEU 28 9.452 -17.252 22.663 240 H ALA 29 HN ALA 29 11.195 -19.517 17.563 241 HA ALA 29 HA ALA 29 10.656 -16.826 16.844 242 HB1 ALA 29 HB1 ALA 29 12.486 -18.741 15.388 243 HB2 ALA 29 HB2 ALA 29 12.927 -17.931 16.891 244 HB3 ALA 29 HB3 ALA 29 12.592 -16.981 15.443 245 H LYS 30 HN LYS 30 9.988 -19.916 15.340 246 HA LYS 30 HA LYS 30 9.320 -19.052 12.759 247 HB2 LYS 30 HB2 LYS 30 9.590 -21.413 13.296 248 HB3 LYS 30 HB1 LYS 30 8.193 -21.353 14.372 249 HG2 LYS 30 HG2 LYS 30 6.687 -20.954 12.574 250 HG3 LYS 30 HG1 LYS 30 7.998 -20.593 11.448 251 HD2 LYS 30 HD2 LYS 30 8.084 -23.304 12.721 252 HD3 LYS 30 HD1 LYS 30 6.767 -23.032 11.582 253 HE2 LYS 30 HE2 LYS 30 8.922 -23.950 10.575 254 HE3 LYS 30 HE1 LYS 30 8.277 -22.498 9.808 255 HZ1 LYS 30 HZ1 LYS 30 10.385 -22.512 11.894 256 HZ2 LYS 30 HZ2 LYS 30 9.803 -21.156 11.053 257 HZ3 LYS 30 HZ3 LYS 30 10.672 -22.361 10.229 258 H LEU 31 HN LEU 31 7.498 -19.044 15.757 259 HA LEU 31 HA LEU 31 4.908 -18.702 14.913 260 HB2 LEU 31 HB2 LEU 31 6.252 -17.102 17.101 261 HB3 LEU 31 HB1 LEU 31 4.531 -17.450 16.959 262 HG LEU 31 HG LEU 31 6.712 -19.530 17.303 263 HD11 LEU 31 HD11 LEU 31 5.691 -19.826 19.558 264 HD12 LEU 31 HD12 LEU 31 4.649 -18.441 19.239 265 HD13 LEU 31 HD13 LEU 31 6.396 -18.224 19.343 266 HD21 LEU 31 HD21 LEU 31 3.725 -19.676 16.916 267 HD22 LEU 31 HD22 LEU 31 4.550 -20.922 17.855 268 HD23 LEU 31 HD23 LEU 31 4.990 -20.651 16.171 269 H GLN 32 HN GLN 32 7.520 -16.324 14.919 270 HA GLN 32 HA GLN 32 6.007 -14.048 14.277 271 HB2 GLN 32 HB2 GLN 32 8.420 -14.060 14.954 272 HB3 GLN 32 HB1 GLN 32 8.819 -14.678 13.352 273 HG2 GLN 32 HG2 GLN 32 9.101 -12.274 13.324 274 HG3 GLN 32 HG1 GLN 32 7.677 -12.669 12.365 275 HE21 GLN 32 HE21 GLN 32 6.866 -10.443 12.820 276 HE22 GLN 32 HE22 GLN 32 6.164 -10.099 14.326 277 H ARG 33 HN ARG 33 7.466 -16.544 12.224 278 HA ARG 33 HA ARG 33 6.786 -15.339 9.742 279 HB2 ARG 33 HB2 ARG 33 8.496 -17.122 9.976 280 HB3 ARG 33 HB1 ARG 33 7.216 -18.275 10.351 281 HG2 ARG 33 HG2 ARG 33 6.169 -17.842 8.160 282 HG3 ARG 33 HG1 ARG 33 7.436 -16.673 7.785 283 HD2 ARG 33 HD2 ARG 33 7.897 -19.610 8.371 284 HD3 ARG 33 HD1 ARG 33 7.880 -18.888 6.764 285 HE ARG 33 HE ARG 33 10.001 -18.673 8.735 286 HH11 ARG 33 HH21 ARG 33 8.498 -17.386 5.896 287 HH12 ARG 33 HH22 ARG 33 9.921 -16.566 5.347 288 HH21 ARG 33 HH11 ARG 33 11.869 -17.601 8.024 289 HH22 ARG 33 HH12 ARG 33 11.830 -16.688 6.552 290 H ILE 34 HN ILE 34 5.164 -17.676 11.838 291 HA ILE 34 HA ILE 34 3.027 -18.339 10.139 292 HB ILE 34 HB ILE 34 2.929 -18.137 13.155 293 HG12 ILE 34 HG12 ILE 34 4.881 -19.441 12.543 294 HG13 ILE 34 HG11 ILE 34 3.626 -20.546 13.087 295 HG21 ILE 34 HG21 ILE 34 1.268 -19.956 12.920 296 HG22 ILE 34 HG22 ILE 34 1.417 -19.856 11.166 297 HG23 ILE 34 HG23 ILE 34 0.755 -18.496 12.073 298 HD11 ILE 34 HD11 ILE 34 3.004 -20.689 10.544 299 HD12 ILE 34 HD12 ILE 34 4.402 -21.583 11.136 300 HD13 ILE 34 HD13 ILE 34 4.628 -20.052 10.292 301 H HIS 35 HN HIS 35 3.509 -15.632 12.350 302 HA HIS 35 HA HIS 35 0.897 -14.615 12.363 303 HB2 HIS 35 HB2 HIS 35 2.680 -13.788 13.840 304 HB3 HIS 35 HB1 HIS 35 3.522 -13.108 12.448 305 HD2 HIS 35 HD2 HIS 35 2.669 -10.566 11.748 306 HE1 HIS 35 HE1 HIS 35 -0.836 -10.473 14.098 307 HE2 HIS 35 HE2 HIS 35 0.666 -9.107 12.573 308 H ASN 36 HN ASN 36 3.628 -13.812 10.197 309 HA ASN 36 HA ASN 36 2.128 -12.047 8.547 310 HB2 ASN 36 HB2 ASN 36 4.716 -13.540 8.118 311 HB3 ASN 36 HB1 ASN 36 4.042 -12.426 6.929 312 HD21 ASN 36 HD21 ASN 36 6.543 -11.865 8.177 313 HD22 ASN 36 HD22 ASN 36 6.349 -10.519 9.193 314 H SER 37 HN SER 37 2.953 -15.474 8.304 315 HA SER 37 HA SER 37 1.344 -15.761 5.864 316 HB2 SER 37 HB2 SER 37 2.311 -18.022 5.763 317 HB3 SER 37 HB1 SER 37 3.562 -16.786 5.839 318 HG SER 37 HG SER 37 2.869 -18.741 7.653 319 H ASN 38 HN ASN 38 0.332 -15.357 8.720 320 HA ASN 38 HA ASN 38 -0.759 -17.661 9.794 321 HB2 ASN 38 HB2 ASN 38 -0.882 -15.328 10.751 322 HB3 ASN 38 HB1 ASN 38 -2.196 -15.006 9.621 323 HD21 ASN 38 HD21 ASN 38 -3.745 -14.774 11.402 324 HD22 ASN 38 HD22 ASN 38 -4.292 -16.130 12.264 325 H ILE 39 HN ILE 39 -1.976 -19.164 8.905 326 HA ILE 39 HA ILE 39 -3.552 -20.232 7.635 327 HB ILE 39 HB ILE 39 -4.960 -17.572 7.497 328 HG12 ILE 39 HG12 ILE 39 -5.005 -19.622 9.701 329 HG13 ILE 39 HG11 ILE 39 -4.247 -18.040 9.821 330 HG21 ILE 39 HG21 ILE 39 -5.781 -19.594 6.180 331 HG22 ILE 39 HG22 ILE 39 -6.940 -18.916 7.321 332 HG23 ILE 39 HG23 ILE 39 -6.049 -20.381 7.734 333 HD11 ILE 39 HD11 ILE 39 -6.396 -17.775 10.807 334 HD12 ILE 39 HD12 ILE 39 -7.183 -18.678 9.511 335 HD13 ILE 39 HD13 ILE 39 -6.533 -17.069 9.197 336 H LEU 40 HN LEU 40 -1.504 -19.872 6.099 337 HA LEU 40 HA LEU 40 -2.489 -18.608 3.595 338 HB2 LEU 40 HB2 LEU 40 0.178 -18.650 4.888 339 HB3 LEU 40 HB1 LEU 40 0.180 -18.856 3.141 340 HG LEU 40 HG LEU 40 0.339 -16.467 3.888 341 HD11 LEU 40 HD11 LEU 40 -2.282 -16.567 2.481 342 HD12 LEU 40 HD12 LEU 40 -0.966 -17.460 1.721 343 HD13 LEU 40 HD13 LEU 40 -0.792 -15.739 2.040 344 HD21 LEU 40 HD21 LEU 40 -1.436 -17.039 5.801 345 HD22 LEU 40 HD22 LEU 40 -2.576 -16.494 4.579 346 HD23 LEU 40 HD23 LEU 40 -1.300 -15.415 5.139 347 H ASP 41 HN ASP 41 -2.912 -19.899 1.968 348 HA ASP 41 HA ASP 41 -3.023 -22.619 2.038 349 HB2 ASP 41 HB2 ASP 41 -2.965 -22.569 -0.436 350 HB3 ASP 41 HB1 ASP 41 -4.008 -21.315 0.231 351 H GLU 42 HN GLU 42 -0.195 -20.687 1.798 352 HA GLU 42 HA GLU 42 1.480 -22.804 0.720 353 HB2 GLU 42 HB2 GLU 42 1.915 -20.418 0.215 354 HB3 GLU 42 HB1 GLU 42 2.244 -20.137 1.926 355 HG2 GLU 42 HG2 GLU 42 4.098 -21.736 1.863 356 HG3 GLU 42 HG1 GLU 42 3.746 -22.108 0.177 357 H ARG 43 HN ARG 43 1.427 -20.961 3.787 358 HA ARG 43 HA ARG 43 3.106 -22.917 5.094 359 HB2 ARG 43 HB2 ARG 43 1.826 -20.311 5.884 360 HB3 ARG 43 HB1 ARG 43 2.443 -21.376 7.146 361 HG2 ARG 43 HG2 ARG 43 4.183 -20.708 4.772 362 HG3 ARG 43 HG1 ARG 43 4.033 -19.559 6.098 363 HD2 ARG 43 HD2 ARG 43 4.746 -21.302 7.694 364 HD3 ARG 43 HD1 ARG 43 4.922 -22.450 6.373 365 HE ARG 43 HE ARG 43 6.680 -20.194 6.968 366 HH11 ARG 43 HH21 ARG 43 5.684 -22.686 4.777 367 HH12 ARG 43 HH22 ARG 43 7.177 -22.702 3.901 368 HH21 ARG 43 HH11 ARG 43 8.638 -20.210 5.815 369 HH22 ARG 43 HH12 ARG 43 8.846 -21.299 4.485 370 H GLN 44 HN GLN 44 -0.243 -22.495 4.631 371 HA GLN 44 HA GLN 44 -1.446 -23.488 6.888 372 HB2 GLN 44 HB2 GLN 44 -2.045 -23.680 3.963 373 HB3 GLN 44 HB1 GLN 44 -2.973 -24.716 5.042 374 HG2 GLN 44 HG2 GLN 44 -3.760 -22.817 6.305 375 HG3 GLN 44 HG1 GLN 44 -2.680 -21.725 5.446 376 HE21 GLN 44 HE21 GLN 44 -5.093 -24.237 4.465 377 HE22 GLN 44 HE22 GLN 44 -5.860 -23.252 3.315 378 H GLY 45 HN GLY 45 0.391 -25.251 4.456 379 HA2 GLY 45 HA2 GLY 45 -0.268 -27.863 5.362 380 HA3 GLY 45 HA1 GLY 45 1.128 -27.429 4.378 381 H LEU 46 HN LEU 46 2.194 -25.502 6.235 382 HA LEU 46 HA LEU 46 3.813 -27.206 7.775 383 HB2 LEU 46 HB2 LEU 46 4.230 -24.762 6.954 384 HB3 LEU 46 HB1 LEU 46 3.437 -24.292 8.454 385 HG LEU 46 HG LEU 46 5.786 -26.221 8.378 386 HD11 LEU 46 HD11 LEU 46 7.242 -24.356 8.912 387 HD12 LEU 46 HD12 LEU 46 5.880 -23.235 8.881 388 HD13 LEU 46 HD13 LEU 46 6.412 -24.021 7.393 389 HD21 LEU 46 HD21 LEU 46 4.826 -26.432 10.502 390 HD22 LEU 46 HD22 LEU 46 4.278 -24.759 10.539 391 HD23 LEU 46 HD23 LEU 46 5.981 -25.134 10.786 392 H MET 47 HN MET 47 1.008 -25.214 8.617 393 HA MET 47 HA MET 47 0.940 -25.379 11.341 394 HB2 MET 47 HB2 MET 47 -1.340 -25.689 9.381 395 HB3 MET 47 HB1 MET 47 -1.568 -25.482 11.116 396 HG2 MET 47 HG2 MET 47 -0.286 -23.349 11.002 397 HG3 MET 47 HG1 MET 47 -0.153 -23.549 9.256 398 HE1 MET 47 HE1 MET 47 -2.554 -20.619 9.777 399 HE2 MET 47 HE2 MET 47 -1.624 -21.281 8.433 400 HE3 MET 47 HE3 MET 47 -0.883 -21.144 10.025 401 H HIS 48 HN HIS 48 0.057 -27.932 9.047 402 HA HIS 48 HA HIS 48 -0.997 -29.777 10.888 403 HB2 HIS 48 HB2 HIS 48 -1.207 -30.039 8.453 404 HB3 HIS 48 HB1 HIS 48 0.531 -30.306 8.327 405 HD2 HIS 48 HD2 HIS 48 1.350 -32.915 8.894 406 HE1 HIS 48 HE1 HIS 48 -2.384 -34.372 10.221 407 HE2 HIS 48 HE2 HIS 48 0.002 -35.022 9.643 408 H GLU 49 HN GLU 49 2.329 -29.378 9.667 409 HA GLU 49 HA GLU 49 3.416 -31.457 11.299 410 HB2 GLU 49 HB2 GLU 49 4.712 -29.163 9.817 411 HB3 GLU 49 HB1 GLU 49 5.612 -30.430 10.655 412 HG2 GLU 49 HG2 GLU 49 4.591 -32.143 9.260 413 HG3 GLU 49 HG1 GLU 49 3.564 -30.940 8.481 414 H LEU 50 HN LEU 50 2.920 -28.015 11.645 415 HA LEU 50 HA LEU 50 4.571 -27.579 13.886 416 HB2 LEU 50 HB2 LEU 50 3.411 -25.846 12.362 417 HB3 LEU 50 HB1 LEU 50 2.006 -26.079 13.389 418 HG LEU 50 HG LEU 50 3.591 -25.630 15.373 419 HD11 LEU 50 HD11 LEU 50 5.772 -25.726 14.466 420 HD12 LEU 50 HD12 LEU 50 5.475 -24.001 14.624 421 HD13 LEU 50 HD13 LEU 50 5.326 -24.777 13.049 422 HD21 LEU 50 HD21 LEU 50 2.754 -23.544 13.358 423 HD22 LEU 50 HD22 LEU 50 3.468 -23.102 14.909 424 HD23 LEU 50 HD23 LEU 50 1.950 -23.997 14.860 425 H MET 51 HN MET 51 1.203 -28.593 13.575 426 HA MET 51 HA MET 51 0.424 -28.361 16.248 427 HB2 MET 51 HB2 MET 51 -1.117 -28.813 14.365 428 HB3 MET 51 HB1 MET 51 -0.444 -30.437 14.225 429 HG2 MET 51 HG2 MET 51 -1.174 -30.965 16.506 430 HG3 MET 51 HG1 MET 51 -1.782 -29.323 16.703 431 HE1 MET 51 HE1 MET 51 -1.732 -32.478 14.828 432 HE2 MET 51 HE2 MET 51 -2.222 -31.694 13.330 433 HE3 MET 51 HE3 MET 51 -3.352 -32.748 14.173 434 H GLU 52 HN GLU 52 1.738 -31.195 14.537 435 HA GLU 52 HA GLU 52 1.857 -32.818 16.880 436 HB2 GLU 52 HB2 GLU 52 3.257 -34.313 15.455 437 HB3 GLU 52 HB1 GLU 52 1.728 -33.860 14.700 438 HG2 GLU 52 HG2 GLU 52 2.913 -32.045 13.483 439 HG3 GLU 52 HG1 GLU 52 4.437 -32.617 14.155 440 H LEU 53 HN LEU 53 4.154 -30.751 15.181 441 HA LEU 53 HA LEU 53 6.457 -31.523 16.604 442 HB2 LEU 53 HB2 LEU 53 6.476 -30.191 14.493 443 HB3 LEU 53 HB1 LEU 53 5.856 -28.814 15.399 444 HG LEU 53 HG LEU 53 7.866 -28.938 16.892 445 HD11 LEU 53 HD11 LEU 53 8.691 -31.123 16.788 446 HD12 LEU 53 HD12 LEU 53 9.820 -30.279 15.736 447 HD13 LEU 53 HD13 LEU 53 8.506 -31.226 15.040 448 HD21 LEU 53 HD21 LEU 53 9.488 -28.142 15.107 449 HD22 LEU 53 HD22 LEU 53 7.918 -27.340 15.100 450 HD23 LEU 53 HD23 LEU 53 8.274 -28.592 13.911 451 H ILE 54 HN ILE 54 4.045 -28.997 17.206 452 HA ILE 54 HA ILE 54 5.320 -27.796 19.406 453 HB ILE 54 HB ILE 54 2.420 -27.969 18.607 454 HG12 ILE 54 HG12 ILE 54 4.355 -26.635 17.335 455 HG13 ILE 54 HG11 ILE 54 2.771 -25.916 17.578 456 HG21 ILE 54 HG21 ILE 54 3.731 -26.571 20.940 457 HG22 ILE 54 HG22 ILE 54 2.321 -27.623 20.948 458 HG23 ILE 54 HG23 ILE 54 2.208 -26.006 20.260 459 HD11 ILE 54 HD11 ILE 54 4.838 -24.473 18.167 460 HD12 ILE 54 HD12 ILE 54 4.967 -25.497 19.599 461 HD13 ILE 54 HD13 ILE 54 3.518 -24.537 19.334 462 H ASP 55 HN ASP 55 2.979 -30.451 19.217 463 HA ASP 55 HA ASP 55 2.590 -30.787 21.973 464 HB2 ASP 55 HB2 ASP 55 1.177 -31.793 20.188 465 HB3 ASP 55 HB1 ASP 55 2.492 -32.903 19.814 466 H LEU 56 HN LEU 56 4.819 -32.399 19.719 467 HA LEU 56 HA LEU 56 6.024 -34.037 21.656 468 HB2 LEU 56 HB2 LEU 56 7.005 -33.023 18.992 469 HB3 LEU 56 HB1 LEU 56 7.897 -34.195 19.959 470 HG LEU 56 HG LEU 56 5.007 -34.600 19.145 471 HD11 LEU 56 HD11 LEU 56 5.889 -36.071 17.351 472 HD12 LEU 56 HD12 LEU 56 7.527 -35.549 17.750 473 HD13 LEU 56 HD13 LEU 56 6.360 -34.387 17.118 474 HD21 LEU 56 HD21 LEU 56 5.872 -37.070 19.457 475 HD22 LEU 56 HD22 LEU 56 5.466 -36.121 20.880 476 HD23 LEU 56 HD23 LEU 56 7.152 -36.315 20.407 477 H TYR 57 HN TYR 57 6.913 -30.852 20.399 478 HA TYR 57 HA TYR 57 9.331 -30.627 21.884 479 HB2 TYR 57 HB2 TYR 57 7.567 -28.766 20.333 480 HB3 TYR 57 HB1 TYR 57 8.754 -28.052 21.421 481 HD1 TYR 57 HD1 TYR 57 9.062 -31.237 19.476 482 HD2 TYR 57 HD2 TYR 57 10.359 -27.167 19.930 483 HE1 TYR 57 HE1 TYR 57 10.855 -31.624 17.817 484 HE2 TYR 57 HE2 TYR 57 12.152 -27.557 18.265 485 HH TYR 57 HH TYR 57 13.159 -29.042 16.966 486 H GLU 58 HN GLU 58 6.028 -29.448 22.455 487 HA GLU 58 HA GLU 58 6.705 -28.213 24.943 488 HB2 GLU 58 HB2 GLU 58 4.046 -28.994 23.733 489 HB3 GLU 58 HB1 GLU 58 4.214 -28.099 25.243 490 HG2 GLU 58 HG2 GLU 58 5.374 -27.199 22.592 491 HG3 GLU 58 HG1 GLU 58 3.848 -26.621 23.256 492 H GLU 59 HN GLU 59 4.777 -31.134 24.194 493 HA GLU 59 HA GLU 59 4.254 -32.080 26.679 494 HB2 GLU 59 HB2 GLU 59 3.529 -33.209 24.649 495 HB3 GLU 59 HB1 GLU 59 5.177 -33.768 24.359 496 HG2 GLU 59 HG2 GLU 59 5.168 -35.117 26.325 497 HG3 GLU 59 HG1 GLU 59 3.696 -34.357 26.926 498 H SER 60 HN SER 60 7.360 -31.611 25.383 499 HA SER 60 HA SER 60 8.799 -33.575 26.870 500 HB2 SER 60 HB2 SER 60 9.661 -32.439 24.829 501 HB3 SER 60 HB1 SER 60 9.780 -30.941 25.749 502 HG SER 60 HG SER 60 11.599 -32.748 25.570 503 H GLN 61 HN GLN 61 7.312 -30.606 27.821 504 HA GLN 61 HA GLN 61 9.077 -30.352 30.185 505 HB2 GLN 61 HB2 GLN 61 7.977 -28.419 28.424 506 HB3 GLN 61 HB1 GLN 61 7.135 -28.189 29.948 507 HG2 GLN 61 HG2 GLN 61 9.325 -28.062 31.113 508 HG3 GLN 61 HG1 GLN 61 10.136 -28.200 29.550 509 HE21 GLN 61 HE21 GLN 61 9.988 -26.394 28.070 510 HE22 GLN 61 HE22 GLN 61 9.402 -24.880 28.564 511 HA PRO 62 HA PRO 62 4.878 -30.858 32.216 512 HB2 PRO 62 HB2 PRO 62 2.576 -30.660 30.768 513 HB3 PRO 62 HB1 PRO 62 3.519 -29.229 31.236 514 HG2 PRO 62 HG2 PRO 62 3.193 -30.458 28.587 515 HG3 PRO 62 HG1 PRO 62 3.743 -28.830 29.009 516 HD2 PRO 62 HD2 PRO 62 5.369 -31.171 28.348 517 HD3 PRO 62 HD1 PRO 62 5.879 -29.497 28.584 518 H SER 63 HN SER 63 5.710 -33.030 32.284 519 HA SER 63 HA SER 63 4.462 -35.111 30.681 520 HB2 SER 63 HB2 SER 63 5.952 -36.619 31.854 521 HB3 SER 63 HB1 SER 63 6.880 -35.205 31.361 522 HG SER 63 HG SER 63 5.638 -35.468 33.899 523 H SER 64 HN SER 64 3.782 -33.341 33.456 524 HA SER 64 HA SER 64 2.421 -35.444 34.926 525 HB2 SER 64 HB2 SER 64 1.658 -33.454 36.348 526 HB3 SER 64 HB1 SER 64 3.385 -33.795 36.320 527 HG SER 64 HG SER 64 3.710 -31.967 35.332 528 H GLU 65 HN GLU 65 1.574 -34.821 32.174 529 HA GLU 65 HA GLU 65 -0.372 -34.683 30.974 530 HB2 GLU 65 HB2 GLU 65 -1.615 -35.018 33.718 531 HB3 GLU 65 HB1 GLU 65 -2.514 -35.047 32.207 532 HG2 GLU 65 HG2 GLU 65 -1.248 -36.968 31.427 533 HG3 GLU 65 HG1 GLU 65 -0.206 -36.900 32.849 534 H ARG 66 HN ARG 66 0.936 -32.313 32.411 535 HA ARG 66 HA ARG 66 -1.243 -30.430 32.753 536 HB2 ARG 66 HB2 ARG 66 1.757 -30.164 32.832 537 HB3 ARG 66 HB1 ARG 66 0.673 -28.785 32.997 538 HG2 ARG 66 HG2 ARG 66 -0.407 -29.863 34.922 539 HG3 ARG 66 HG1 ARG 66 0.653 -31.261 34.742 540 HD2 ARG 66 HD2 ARG 66 2.618 -29.828 35.127 541 HD3 ARG 66 HD1 ARG 66 1.568 -28.425 35.290 542 HE ARG 66 HE ARG 66 0.662 -30.300 37.135 543 HH11 ARG 66 HH21 ARG 66 3.559 -28.546 36.429 544 HH12 ARG 66 HH22 ARG 66 4.069 -28.452 38.081 545 HH21 ARG 66 HH11 ARG 66 1.321 -30.180 39.302 546 HH22 ARG 66 HH12 ARG 66 2.799 -29.376 39.709 547 H LEU 67 HN LEU 67 0.616 -31.604 30.173 548 HA LEU 67 HA LEU 67 1.041 -29.577 28.406 549 HB2 LEU 67 HB2 LEU 67 -0.012 -31.399 26.673 550 HB3 LEU 67 HB1 LEU 67 1.585 -31.576 27.383 551 HG LEU 67 HG LEU 67 0.648 -32.985 29.171 552 HD11 LEU 67 HD11 LEU 67 -1.825 -33.759 28.633 553 HD12 LEU 67 HD12 LEU 67 -1.934 -32.186 27.844 554 HD13 LEU 67 HD13 LEU 67 -1.545 -32.290 29.559 555 HD21 LEU 67 HD21 LEU 67 0.025 -33.724 26.313 556 HD22 LEU 67 HD22 LEU 67 -0.179 -34.866 27.642 557 HD23 LEU 67 HD23 LEU 67 1.413 -34.199 27.290 558 H ASN 68 HN ASN 68 -1.987 -30.576 29.689 559 HA ASN 68 HA ASN 68 -3.837 -29.850 27.782 560 HB2 ASN 68 HB2 ASN 68 -5.337 -29.285 29.669 561 HB3 ASN 68 HB1 ASN 68 -4.477 -30.798 29.943 562 HD21 ASN 68 HD21 ASN 68 -4.757 -30.464 32.308 563 HD22 ASN 68 HD22 ASN 68 -3.767 -29.355 33.127 564 H ALA 69 HN ALA 69 -1.575 -27.866 29.448 565 HA ALA 69 HA ALA 69 -2.938 -25.365 29.146 566 HB1 ALA 69 HB1 ALA 69 0.035 -25.846 29.437 567 HB2 ALA 69 HB2 ALA 69 -1.094 -25.796 30.791 568 HB3 ALA 69 HB3 ALA 69 -0.843 -24.360 29.800 569 H PHE 70 HN PHE 70 -0.226 -26.891 27.398 570 HA PHE 70 HA PHE 70 -0.074 -24.900 25.367 571 HB2 PHE 70 HB2 PHE 70 1.772 -26.093 24.732 572 HB3 PHE 70 HB1 PHE 70 1.456 -27.115 26.134 573 HD1 PHE 70 HD1 PHE 70 0.735 -26.709 22.504 574 HD2 PHE 70 HD2 PHE 70 0.736 -29.367 25.868 575 HE1 PHE 70 HE1 PHE 70 0.195 -28.603 21.002 576 HE2 PHE 70 HE2 PHE 70 0.200 -31.272 24.362 577 HZ PHE 70 HZ PHE 70 -0.077 -30.883 21.932 578 H ARG 71 HN ARG 71 -1.902 -27.871 25.748 579 HA ARG 71 HA ARG 71 -2.748 -28.413 23.208 580 HB2 ARG 71 HB2 ARG 71 -3.406 -29.710 25.208 581 HB3 ARG 71 HB1 ARG 71 -4.517 -28.418 25.659 582 HG2 ARG 71 HG2 ARG 71 -5.770 -28.727 23.586 583 HG3 ARG 71 HG1 ARG 71 -4.621 -29.954 23.049 584 HD2 ARG 71 HD2 ARG 71 -6.568 -31.070 23.977 585 HD3 ARG 71 HD1 ARG 71 -5.202 -31.312 25.061 586 HE ARG 71 HE ARG 71 -6.263 -29.961 26.654 587 HH11 ARG 71 HH21 ARG 71 -7.861 -29.859 23.586 588 HH12 ARG 71 HH22 ARG 71 -9.278 -29.070 24.194 589 HH21 ARG 71 HH11 ARG 71 -8.121 -28.926 27.459 590 HH22 ARG 71 HH12 ARG 71 -9.425 -28.542 26.386 591 H GLU 72 HN GLU 72 -3.345 -25.596 25.047 592 HA GLU 72 HA GLU 72 -5.745 -24.712 23.815 593 HB2 GLU 72 HB2 GLU 72 -3.468 -23.188 25.103 594 HB3 GLU 72 HB1 GLU 72 -4.984 -22.448 24.586 595 HG2 GLU 72 HG2 GLU 72 -6.245 -23.913 26.085 596 HG3 GLU 72 HG1 GLU 72 -4.760 -24.733 26.564 597 H LEU 73 HN LEU 73 -2.301 -24.246 23.092 598 HA LEU 73 HA LEU 73 -2.684 -22.526 20.881 599 HB2 LEU 73 HB2 LEU 73 -0.502 -22.678 21.921 600 HB3 LEU 73 HB1 LEU 73 -0.407 -24.403 21.572 601 HG LEU 73 HG LEU 73 -0.347 -23.963 19.167 602 HD11 LEU 73 HD11 LEU 73 -0.124 -21.454 18.504 603 HD12 LEU 73 HD12 LEU 73 -0.919 -21.135 20.046 604 HD13 LEU 73 HD13 LEU 73 -1.733 -22.095 18.817 605 HD21 LEU 73 HD21 LEU 73 1.556 -21.996 20.448 606 HD22 LEU 73 HD22 LEU 73 1.819 -22.999 19.024 607 HD23 LEU 73 HD23 LEU 73 1.748 -23.739 20.624 608 H ARG 74 HN ARG 74 -2.357 -26.034 21.162 609 HA ARG 74 HA ARG 74 -2.375 -26.668 18.434 610 HB2 ARG 74 HB2 ARG 74 -1.808 -28.464 19.821 611 HB3 ARG 74 HB1 ARG 74 -3.138 -28.155 20.931 612 HG2 ARG 74 HG2 ARG 74 -4.738 -29.080 19.458 613 HG3 ARG 74 HG1 ARG 74 -3.640 -29.005 18.081 614 HD2 ARG 74 HD2 ARG 74 -3.127 -30.729 20.511 615 HD3 ARG 74 HD1 ARG 74 -3.972 -31.314 19.080 616 HE ARG 74 HE ARG 74 -1.524 -30.148 18.289 617 HH11 ARG 74 HH21 ARG 74 -2.840 -32.843 20.004 618 HH12 ARG 74 HH22 ARG 74 -1.521 -33.903 19.634 619 HH21 ARG 74 HH11 ARG 74 0.209 -31.527 17.788 620 HH22 ARG 74 HH12 ARG 74 0.209 -33.156 18.377 621 H THR 75 HN THR 75 -4.998 -26.111 20.722 622 HA THR 75 HA THR 75 -7.130 -26.861 19.093 623 HB THR 75 HB THR 75 -6.975 -24.771 21.209 624 HG1 THR 75 HG1 THR 75 -8.200 -27.268 21.427 625 HG21 THR 75 HG21 THR 75 -9.482 -25.176 21.306 626 HG22 THR 75 HG22 THR 75 -9.306 -25.956 19.735 627 HG23 THR 75 HG23 THR 75 -8.896 -24.252 19.924 628 H GLN 76 HN GLN 76 -5.445 -23.765 19.401 629 HA GLN 76 HA GLN 76 -7.091 -22.258 17.700 630 HB2 GLN 76 HB2 GLN 76 -4.121 -22.033 18.236 631 HB3 GLN 76 HB1 GLN 76 -5.090 -20.799 17.433 632 HG2 GLN 76 HG2 GLN 76 -5.665 -21.866 20.210 633 HG3 GLN 76 HG1 GLN 76 -4.768 -20.383 19.890 634 HE21 GLN 76 HE21 GLN 76 -5.957 -18.521 19.154 635 HE22 GLN 76 HE22 GLN 76 -7.654 -18.492 19.108 636 H LEU 77 HN LEU 77 -4.055 -23.984 16.976 637 HA LEU 77 HA LEU 77 -4.133 -23.506 14.182 638 HB2 LEU 77 HB2 LEU 77 -2.673 -25.434 15.966 639 HB3 LEU 77 HB1 LEU 77 -2.587 -25.644 14.219 640 HG LEU 77 HG LEU 77 -0.725 -24.238 15.188 641 HD11 LEU 77 HD11 LEU 77 -1.975 -23.940 12.790 642 HD12 LEU 77 HD12 LEU 77 -0.600 -22.964 13.288 643 HD13 LEU 77 HD13 LEU 77 -2.234 -22.328 13.456 644 HD21 LEU 77 HD21 LEU 77 -2.378 -23.169 16.865 645 HD22 LEU 77 HD22 LEU 77 -2.820 -22.092 15.544 646 HD23 LEU 77 HD23 LEU 77 -1.160 -22.118 16.141 647 H GLU 78 HN GLU 78 -5.354 -26.112 16.221 648 HA GLU 78 HA GLU 78 -6.115 -27.896 14.192 649 HB2 GLU 78 HB2 GLU 78 -6.071 -28.419 16.634 650 HB3 GLU 78 HB1 GLU 78 -7.506 -27.414 16.841 651 HG2 GLU 78 HG2 GLU 78 -8.246 -29.698 16.644 652 HG3 GLU 78 HG1 GLU 78 -8.672 -28.885 15.141 653 H LYS 79 HN LYS 79 -7.941 -25.286 15.783 654 HA LYS 79 HA LYS 79 -10.310 -25.647 14.266 655 HB2 LYS 79 HB2 LYS 79 -9.231 -23.294 15.826 656 HB3 LYS 79 HB1 LYS 79 -10.816 -23.305 15.052 657 HG2 LYS 79 HG2 LYS 79 -11.501 -25.233 16.375 658 HG3 LYS 79 HG1 LYS 79 -9.888 -25.367 17.071 659 HD2 LYS 79 HD2 LYS 79 -11.169 -24.234 18.721 660 HD3 LYS 79 HD1 LYS 79 -10.221 -22.975 17.933 661 HE2 LYS 79 HE2 LYS 79 -12.106 -22.246 16.637 662 HE3 LYS 79 HE1 LYS 79 -13.050 -23.663 17.091 663 HZ1 LYS 79 HZ1 LYS 79 -12.164 -21.463 18.871 664 HZ2 LYS 79 HZ2 LYS 79 -12.915 -22.885 19.416 665 HZ3 LYS 79 HZ3 LYS 79 -13.754 -21.814 18.399 666 H ALA 80 HN ALA 80 -7.501 -23.524 13.942 667 HA ALA 80 HA ALA 80 -8.450 -22.126 11.674 668 HB1 ALA 80 HB1 ALA 80 -6.183 -21.319 11.422 669 HB2 ALA 80 HB2 ALA 80 -5.572 -22.609 12.458 670 HB3 ALA 80 HB3 ALA 80 -6.587 -21.337 13.139 671 H LEU 81 HN LEU 81 -6.618 -25.089 12.103 672 HA LEU 81 HA LEU 81 -5.823 -25.457 9.430 673 HB2 LEU 81 HB2 LEU 81 -4.826 -26.784 11.203 674 HB3 LEU 81 HB1 LEU 81 -6.391 -27.487 11.606 675 HG LEU 81 HG LEU 81 -6.502 -28.603 9.433 676 HD11 LEU 81 HD11 LEU 81 -5.466 -27.164 7.889 677 HD12 LEU 81 HD12 LEU 81 -4.295 -28.474 8.028 678 HD13 LEU 81 HD13 LEU 81 -4.030 -26.958 8.891 679 HD21 LEU 81 HD21 LEU 81 -5.365 -29.871 11.124 680 HD22 LEU 81 HD22 LEU 81 -3.880 -28.942 10.911 681 HD23 LEU 81 HD23 LEU 81 -4.421 -30.042 9.644 682 H GLY 82 HN GLY 82 -8.728 -26.440 11.197 683 HA2 GLY 82 HA2 GLY 82 -9.899 -27.911 9.066 684 HA3 GLY 82 HA1 GLY 82 -10.752 -27.272 10.469 685 H LEU 83 HN LEU 83 -9.067 -24.793 9.075 686 HA LEU 83 HA LEU 83 -9.669 -22.938 7.864 687 HB2 LEU 83 HB2 LEU 83 -11.438 -24.855 6.331 688 HB3 LEU 83 HB1 LEU 83 -10.803 -23.310 5.768 689 HG LEU 83 HG LEU 83 -9.141 -25.733 6.513 690 HD11 LEU 83 HD11 LEU 83 -8.732 -25.996 4.160 691 HD12 LEU 83 HD12 LEU 83 -9.553 -24.479 3.788 692 HD13 LEU 83 HD13 LEU 83 -10.479 -25.864 4.366 693 HD21 LEU 83 HD21 LEU 83 -7.749 -23.893 6.972 694 HD22 LEU 83 HD22 LEU 83 -8.449 -22.914 5.682 695 HD23 LEU 83 HD23 LEU 83 -7.360 -24.243 5.289 696 H GLU 84 HN GLU 84 -11.050 -23.367 10.264 697 HA GLU 84 HA GLU 84 -13.865 -23.155 9.996 698 HB2 GLU 84 HB2 GLU 84 -12.719 -23.773 12.112 699 HB3 GLU 84 HB1 GLU 84 -12.103 -22.125 12.235 700 HG2 GLU 84 HG2 GLU 84 -14.388 -21.246 12.318 701 HG3 GLU 84 HG1 GLU 84 -15.039 -22.871 12.114 702 H HIS 85 HN HIS 85 -15.029 -21.522 9.224 703 HA HIS 85 HA HIS 85 -15.495 -19.454 8.297 704 HB2 HIS 85 HB2 HIS 85 -14.411 -18.764 11.032 705 HB3 HIS 85 HB1 HIS 85 -15.209 -17.596 9.979 706 HD2 HIS 85 HD2 HIS 85 -18.012 -17.915 9.752 707 HE1 HIS 85 HE1 HIS 85 -18.327 -21.158 12.437 708 HE2 HIS 85 HE2 HIS 85 -19.643 -19.458 11.085 709 H HIS 86 HN HIS 86 -14.045 -19.396 6.568 710 HA HIS 86 HA HIS 86 -11.989 -17.354 6.783 711 HB2 HIS 86 HB2 HIS 86 -10.739 -19.361 7.432 712 HB3 HIS 86 HB1 HIS 86 -11.284 -20.186 5.972 713 HD2 HIS 86 HD2 HIS 86 -9.091 -16.962 6.799 714 HE1 HIS 86 HE1 HIS 86 -7.939 -18.509 3.043 715 HE2 HIS 86 HE2 HIS 86 -7.440 -16.734 4.788 716 H HIS 87 HN HIS 87 -11.059 -16.852 4.614 717 HA HIS 87 HA HIS 87 -12.673 -17.754 2.328 718 HB2 HIS 87 HB2 HIS 87 -12.386 -14.854 3.153 719 HB3 HIS 87 HB1 HIS 87 -13.058 -15.406 1.619 720 HD2 HIS 87 HD2 HIS 87 -14.269 -14.711 5.178 721 HE1 HIS 87 HE1 HIS 87 -17.247 -17.105 3.381 722 HE2 HIS 87 HE2 HIS 87 -16.701 -15.641 5.383 723 H HIS 88 HN HIS 88 -11.728 -17.237 0.279 724 HA HIS 88 HA HIS 88 -8.927 -17.555 0.186 725 HB2 HIS 88 HB2 HIS 88 -10.498 -18.224 -1.631 726 HB3 HIS 88 HB1 HIS 88 -10.745 -16.518 -2.003 727 HD2 HIS 88 HD2 HIS 88 -8.135 -19.310 -2.668 728 HE1 HIS 88 HE1 HIS 88 -6.505 -15.708 -4.146 729 HE2 HIS 88 HE2 HIS 88 -6.214 -18.229 -4.066 730 H HIS 89 HN HIS 89 -10.998 -14.713 -0.259 731 HA HIS 89 HA HIS 89 -10.446 -12.477 -0.593 732 HB2 HIS 89 HB2 HIS 89 -10.427 -12.884 1.871 733 HB3 HIS 89 HB1 HIS 89 -8.684 -13.132 1.777 734 HD2 HIS 89 HD2 HIS 89 -7.281 -10.779 2.105 735 HE1 HIS 89 HE1 HIS 89 -10.348 -8.089 1.021 736 HE2 HIS 89 HE2 HIS 89 -7.958 -8.269 1.860 737 H HIS 90 HN HIS 90 -9.325 -12.360 -2.558 738 HA HIS 90 HA HIS 90 -6.596 -13.027 -2.900 739 HB2 HIS 90 HB2 HIS 90 -6.718 -11.631 -4.941 740 HB3 HIS 90 HB1 HIS 90 -8.084 -12.737 -4.820 741 HD2 HIS 90 HD2 HIS 90 -10.576 -11.485 -4.729 742 HE1 HIS 90 HE1 HIS 90 -9.177 -7.516 -4.400 743 HE2 HIS 90 HE2 HIS 90 -11.242 -8.960 -4.710 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -7.474 -13.770 11.397 2 H2 MET 1 HT2 MET 1 -6.952 -15.108 12.304 3 H3 MET 1 HT3 MET 1 -5.989 -14.507 11.039 4 HA MET 1 HA MET 1 -4.894 -13.399 12.616 5 HB2 MET 1 HB2 MET 1 -7.504 -11.864 12.494 6 HB3 MET 1 HB1 MET 1 -6.053 -11.258 13.293 7 HG2 MET 1 HG2 MET 1 -4.802 -11.445 11.176 8 HG3 MET 1 HG1 MET 1 -6.249 -12.056 10.374 9 HE1 MET 1 HE1 MET 1 -4.984 -10.171 9.009 10 HE2 MET 1 HE2 MET 1 -5.711 -8.571 8.885 11 HE3 MET 1 HE3 MET 1 -6.668 -9.998 8.495 12 H GLY 2 HN GLY 2 -4.687 -12.802 14.885 13 HA2 GLY 2 HA2 GLY 2 -5.133 -12.982 17.156 14 HA3 GLY 2 HA1 GLY 2 -6.747 -13.566 16.759 15 H VAL 3 HN VAL 3 -4.258 -15.196 15.109 16 HA VAL 3 HA VAL 3 -4.577 -17.555 16.870 17 HB VAL 3 HB VAL 3 -3.702 -18.799 14.863 18 HG11 VAL 3 HG11 VAL 3 -6.120 -18.598 15.373 19 HG12 VAL 3 HG12 VAL 3 -5.826 -18.639 13.634 20 HG13 VAL 3 HG13 VAL 3 -6.184 -17.107 14.433 21 HG21 VAL 3 HG21 VAL 3 -2.609 -16.715 13.882 22 HG22 VAL 3 HG22 VAL 3 -4.226 -16.186 13.419 23 HG23 VAL 3 HG23 VAL 3 -3.558 -17.671 12.743 24 H TRP 4 HN TRP 4 -2.530 -15.068 16.545 25 HA TRP 4 HA TRP 4 -0.001 -16.486 16.513 26 HB2 TRP 4 HB2 TRP 4 0.693 -13.994 17.305 27 HB3 TRP 4 HB1 TRP 4 0.355 -14.388 15.621 28 HD1 TRP 4 HD1 TRP 4 -1.744 -13.339 18.710 29 HE1 TRP 4 HE1 TRP 4 -3.542 -11.673 17.917 30 HE3 TRP 4 HE3 TRP 4 -0.682 -13.209 13.718 31 HZ2 TRP 4 HZ2 TRP 4 -4.416 -10.446 15.485 32 HZ3 TRP 4 HZ3 TRP 4 -2.011 -11.783 12.187 33 HH2 TRP 4 HH2 TRP 4 -3.875 -10.402 13.063 34 H THR 5 HN THR 5 1.387 -16.773 18.236 35 HA THR 5 HA THR 5 0.687 -15.890 20.901 36 HB THR 5 HB THR 5 0.874 -18.871 20.482 37 HG1 THR 5 HG1 THR 5 -0.970 -18.498 19.461 38 HG21 THR 5 HG21 THR 5 1.257 -17.743 22.738 39 HG22 THR 5 HG22 THR 5 -0.000 -18.981 22.701 40 HG23 THR 5 HG23 THR 5 -0.441 -17.274 22.680 41 HA PRO 6 HA PRO 6 5.194 -16.858 19.704 42 HB2 PRO 6 HB2 PRO 6 6.066 -14.248 19.622 43 HB3 PRO 6 HB1 PRO 6 5.433 -15.111 18.208 44 HG2 PRO 6 HG2 PRO 6 4.024 -13.204 20.027 45 HG3 PRO 6 HG1 PRO 6 4.006 -13.288 18.257 46 HD2 PRO 6 HD2 PRO 6 1.981 -14.311 19.716 47 HD3 PRO 6 HD1 PRO 6 2.534 -15.099 18.219 48 H GLU 7 HN GLU 7 7.163 -15.755 20.963 49 HA GLU 7 HA GLU 7 7.032 -16.392 23.619 50 HB2 GLU 7 HB2 GLU 7 9.020 -15.011 23.948 51 HB3 GLU 7 HB1 GLU 7 9.126 -15.862 22.407 52 HG2 GLU 7 HG2 GLU 7 8.235 -13.816 21.274 53 HG3 GLU 7 HG1 GLU 7 8.300 -12.973 22.820 54 H VAL 8 HN VAL 8 5.586 -13.701 22.081 55 HA VAL 8 HA VAL 8 5.544 -11.733 24.025 56 HB VAL 8 HB VAL 8 4.512 -11.638 21.695 57 HG11 VAL 8 HG11 VAL 8 3.127 -13.751 22.121 58 HG12 VAL 8 HG12 VAL 8 2.278 -12.404 21.369 59 HG13 VAL 8 HG13 VAL 8 2.063 -12.734 23.087 60 HG21 VAL 8 HG21 VAL 8 4.230 -9.813 23.299 61 HG22 VAL 8 HG22 VAL 8 2.899 -10.670 24.076 62 HG23 VAL 8 HG23 VAL 8 2.718 -10.067 22.428 63 H LEU 9 HN LEU 9 3.487 -14.607 23.720 64 HA LEU 9 HA LEU 9 1.792 -14.047 25.899 65 HB2 LEU 9 HB2 LEU 9 1.224 -15.773 24.272 66 HB3 LEU 9 HB1 LEU 9 2.651 -16.703 24.717 67 HG LEU 9 HG LEU 9 1.766 -17.045 26.980 68 HD11 LEU 9 HD11 LEU 9 0.531 -15.123 27.520 69 HD12 LEU 9 HD12 LEU 9 -0.736 -16.320 27.265 70 HD13 LEU 9 HD13 LEU 9 -0.365 -15.149 26.000 71 HD21 LEU 9 HD21 LEU 9 -0.007 -18.556 26.423 72 HD22 LEU 9 HD22 LEU 9 1.085 -18.535 25.038 73 HD23 LEU 9 HD23 LEU 9 -0.430 -17.632 24.983 74 H LYS 10 HN LYS 10 4.828 -15.859 25.666 75 HA LYS 10 HA LYS 10 4.936 -16.653 28.382 76 HB2 LYS 10 HB2 LYS 10 6.288 -17.664 26.547 77 HB3 LYS 10 HB1 LYS 10 7.255 -16.191 26.492 78 HG2 LYS 10 HG2 LYS 10 7.892 -16.500 28.844 79 HG3 LYS 10 HG1 LYS 10 6.905 -17.959 28.933 80 HD2 LYS 10 HD2 LYS 10 9.241 -17.566 27.036 81 HD3 LYS 10 HD1 LYS 10 9.320 -18.460 28.554 82 HE2 LYS 10 HE2 LYS 10 8.877 -20.219 27.117 83 HE3 LYS 10 HE1 LYS 10 7.216 -19.739 27.461 84 HZ1 LYS 10 HZ1 LYS 10 8.408 -18.214 25.343 85 HZ2 LYS 10 HZ2 LYS 10 6.926 -19.043 25.384 86 HZ3 LYS 10 HZ3 LYS 10 8.355 -19.874 25.001 87 H ALA 11 HN ALA 11 5.898 -13.748 26.681 88 HA ALA 11 HA ALA 11 7.600 -12.590 28.562 89 HB1 ALA 11 HB1 ALA 11 7.043 -11.726 26.238 90 HB2 ALA 11 HB2 ALA 11 7.131 -10.499 27.501 91 HB3 ALA 11 HB3 ALA 11 5.562 -11.068 26.931 92 H ARG 12 HN ARG 12 4.059 -12.489 28.329 93 HA ARG 12 HA ARG 12 3.640 -10.773 30.545 94 HB2 ARG 12 HB2 ARG 12 1.939 -12.715 29.003 95 HB3 ARG 12 HB1 ARG 12 1.320 -12.074 30.523 96 HG2 ARG 12 HG2 ARG 12 0.541 -10.637 28.745 97 HG3 ARG 12 HG1 ARG 12 1.777 -9.752 29.638 98 HD2 ARG 12 HD2 ARG 12 3.450 -10.341 27.950 99 HD3 ARG 12 HD1 ARG 12 2.256 -11.299 27.078 100 HE ARG 12 HE ARG 12 1.097 -8.849 27.181 101 HH11 ARG 12 HH21 ARG 12 4.238 -9.994 26.297 102 HH12 ARG 12 HH22 ARG 12 4.517 -8.744 25.130 103 HH21 ARG 12 HH11 ARG 12 1.453 -7.206 25.657 104 HH22 ARG 12 HH12 ARG 12 2.939 -7.164 24.768 105 H ALA 13 HN ALA 13 3.717 -14.312 30.244 106 HA ALA 13 HA ALA 13 3.121 -14.856 32.964 107 HB1 ALA 13 HB1 ALA 13 3.028 -16.484 31.009 108 HB2 ALA 13 HB2 ALA 13 3.763 -17.102 32.488 109 HB3 ALA 13 HB3 ALA 13 4.783 -16.599 31.140 110 H SER 14 HN SER 14 6.131 -14.376 31.189 111 HA SER 14 HA SER 14 7.740 -14.757 33.607 112 HB2 SER 14 HB2 SER 14 8.541 -15.714 31.486 113 HB3 SER 14 HB1 SER 14 8.546 -14.109 30.759 114 HG SER 14 HG SER 14 10.470 -15.243 32.125 115 H VAL 15 HN VAL 15 5.930 -12.336 32.403 116 HA VAL 15 HA VAL 15 5.812 -10.083 32.821 117 HB VAL 15 HB VAL 15 8.302 -10.370 34.503 118 HG11 VAL 15 HG11 VAL 15 5.894 -8.569 34.809 119 HG12 VAL 15 HG12 VAL 15 7.356 -8.092 33.945 120 HG13 VAL 15 HG13 VAL 15 7.429 -8.463 35.669 121 HG21 VAL 15 HG21 VAL 15 6.574 -10.705 36.378 122 HG22 VAL 15 HG22 VAL 15 6.868 -12.091 35.329 123 HG23 VAL 15 HG23 VAL 15 5.427 -11.101 35.099 124 H ILE 16 HN ILE 16 9.132 -11.229 32.296 125 HA ILE 16 HA ILE 16 9.503 -9.091 30.287 126 HB ILE 16 HB ILE 16 11.848 -8.895 31.034 127 HG12 ILE 16 HG12 ILE 16 10.963 -10.627 33.367 128 HG13 ILE 16 HG11 ILE 16 11.988 -11.193 32.048 129 HG21 ILE 16 HG21 ILE 16 11.378 -7.536 32.943 130 HG22 ILE 16 HG22 ILE 16 9.972 -8.509 33.375 131 HG23 ILE 16 HG23 ILE 16 9.925 -7.480 31.944 132 HD11 ILE 16 HD11 ILE 16 12.615 -9.016 34.054 133 HD12 ILE 16 HD12 ILE 16 13.575 -9.295 32.602 134 HD13 ILE 16 HD13 ILE 16 13.459 -10.550 33.836 135 H GLY 17 HN GLY 17 11.067 -9.593 28.638 136 HA2 GLY 17 HA2 GLY 17 10.813 -12.244 27.641 137 HA3 GLY 17 HA1 GLY 17 11.845 -10.984 26.973 138 H LYS 18 HN LYS 18 12.074 -13.986 27.883 139 HA LYS 18 HA LYS 18 14.860 -13.926 28.401 140 HB2 LYS 18 HB2 LYS 18 13.845 -13.191 30.651 141 HB3 LYS 18 HB1 LYS 18 13.257 -14.848 30.787 142 HG2 LYS 18 HG2 LYS 18 15.549 -15.701 30.564 143 HG3 LYS 18 HG1 LYS 18 16.156 -14.056 30.371 144 HD2 LYS 18 HD2 LYS 18 15.168 -13.518 32.633 145 HD3 LYS 18 HD1 LYS 18 14.829 -15.239 32.822 146 HE2 LYS 18 HE2 LYS 18 17.566 -14.024 32.345 147 HE3 LYS 18 HE1 LYS 18 16.975 -14.651 33.883 148 HZ1 LYS 18 HZ1 LYS 18 16.905 -16.819 33.048 149 HZ2 LYS 18 HZ2 LYS 18 18.380 -16.196 32.479 150 HZ3 LYS 18 HZ3 LYS 18 17.044 -16.311 31.436 151 HA PRO 19 HA PRO 19 12.630 -17.906 27.109 152 HB2 PRO 19 HB2 PRO 19 13.526 -17.972 24.511 153 HB3 PRO 19 HB1 PRO 19 12.012 -17.183 25.004 154 HG2 PRO 19 HG2 PRO 19 14.690 -15.967 24.491 155 HG3 PRO 19 HG1 PRO 19 13.084 -15.395 24.008 156 HD2 PRO 19 HD2 PRO 19 14.400 -14.344 26.141 157 HD3 PRO 19 HD1 PRO 19 12.628 -14.487 26.107 158 H ILE 20 HN ILE 20 13.653 -19.910 27.096 159 HA ILE 20 HA ILE 20 16.528 -19.885 27.602 160 HB ILE 20 HB ILE 20 14.614 -21.218 28.851 161 HG12 ILE 20 HG12 ILE 20 16.903 -21.276 29.579 162 HG13 ILE 20 HG11 ILE 20 16.339 -22.940 29.470 163 HG21 ILE 20 HG21 ILE 20 15.447 -23.275 26.784 164 HG22 ILE 20 HG22 ILE 20 13.912 -22.411 26.743 165 HG23 ILE 20 HG23 ILE 20 14.290 -23.475 28.097 166 HD11 ILE 20 HD11 ILE 20 18.440 -23.044 28.436 167 HD12 ILE 20 HD12 ILE 20 18.243 -21.478 27.656 168 HD13 ILE 20 HD13 ILE 20 17.360 -22.881 27.058 169 H GLY 21 HN GLY 21 18.023 -20.367 26.123 170 HA2 GLY 21 HA2 GLY 21 17.284 -20.986 23.435 171 HA3 GLY 21 HA1 GLY 21 18.926 -20.919 24.071 172 H GLU 22 HN GLU 22 16.713 -22.943 22.711 173 HA GLU 22 HA GLU 22 18.232 -25.268 23.010 174 HB2 GLU 22 HB2 GLU 22 16.552 -24.734 25.300 175 HB3 GLU 22 HB1 GLU 22 15.929 -26.165 24.487 176 HG2 GLU 22 HG2 GLU 22 18.841 -25.789 25.255 177 HG3 GLU 22 HG1 GLU 22 17.667 -26.683 26.220 178 H SER 23 HN SER 23 16.472 -27.290 22.724 179 HA SER 23 HA SER 23 15.547 -26.999 20.084 180 HB2 SER 23 HB2 SER 23 14.415 -29.166 20.465 181 HB3 SER 23 HB1 SER 23 16.074 -29.181 21.058 182 HG SER 23 HG SER 23 14.900 -28.403 23.108 183 H TYR 24 HN TYR 24 13.961 -26.572 23.191 184 HA TYR 24 HA TYR 24 11.292 -26.443 22.277 185 HB2 TYR 24 HB2 TYR 24 11.819 -26.659 24.656 186 HB3 TYR 24 HB1 TYR 24 12.583 -25.069 24.650 187 HD1 TYR 24 HD1 TYR 24 9.357 -26.856 24.174 188 HD2 TYR 24 HD2 TYR 24 11.282 -23.063 24.773 189 HE1 TYR 24 HE1 TYR 24 7.149 -25.798 24.561 190 HE2 TYR 24 HE2 TYR 24 9.074 -22.004 25.162 191 HH TYR 24 HH TYR 24 6.249 -23.268 24.279 192 H LYS 25 HN LYS 25 13.835 -24.004 22.567 193 HA LYS 25 HA LYS 25 12.214 -21.774 21.884 194 HB2 LYS 25 HB2 LYS 25 14.425 -21.579 22.989 195 HB3 LYS 25 HB1 LYS 25 15.196 -22.130 21.506 196 HG2 LYS 25 HG2 LYS 25 14.312 -20.199 20.293 197 HG3 LYS 25 HG1 LYS 25 13.443 -19.665 21.732 198 HD2 LYS 25 HD2 LYS 25 15.592 -19.406 22.925 199 HD3 LYS 25 HD1 LYS 25 16.454 -19.926 21.477 200 HE2 LYS 25 HE2 LYS 25 16.460 -17.489 21.575 201 HE3 LYS 25 HE1 LYS 25 15.440 -18.012 20.235 202 HZ1 LYS 25 HZ1 LYS 25 14.416 -17.348 22.940 203 HZ2 LYS 25 HZ2 LYS 25 13.498 -17.669 21.546 204 HZ3 LYS 25 HZ3 LYS 25 14.438 -16.258 21.642 205 H ARG 26 HN ARG 26 13.540 -24.350 20.042 206 HA ARG 26 HA ARG 26 13.884 -23.081 17.559 207 HB2 ARG 26 HB2 ARG 26 14.466 -25.528 18.461 208 HB3 ARG 26 HB1 ARG 26 12.944 -25.927 17.667 209 HG2 ARG 26 HG2 ARG 26 15.309 -24.536 16.365 210 HG3 ARG 26 HG1 ARG 26 14.848 -26.222 16.128 211 HD2 ARG 26 HD2 ARG 26 13.817 -25.251 14.288 212 HD3 ARG 26 HD1 ARG 26 12.504 -25.136 15.460 213 HE ARG 26 HE ARG 26 13.825 -22.794 15.826 214 HH11 ARG 26 HH21 ARG 26 12.714 -24.495 13.030 215 HH12 ARG 26 HH22 ARG 26 12.420 -23.061 12.105 216 HH21 ARG 26 HH11 ARG 26 13.435 -20.907 14.626 217 HH22 ARG 26 HH12 ARG 26 12.822 -21.028 13.011 218 H ILE 27 HN ILE 27 11.121 -24.839 18.933 219 HA ILE 27 HA ILE 27 9.442 -24.372 16.688 220 HB ILE 27 HB ILE 27 7.604 -25.061 18.313 221 HG12 ILE 27 HG12 ILE 27 9.983 -25.642 20.093 222 HG13 ILE 27 HG11 ILE 27 8.895 -24.276 20.340 223 HG21 ILE 27 HG21 ILE 27 10.031 -26.847 17.965 224 HG22 ILE 27 HG22 ILE 27 8.704 -26.663 16.817 225 HG23 ILE 27 HG23 ILE 27 8.414 -27.407 18.389 226 HD11 ILE 27 HD11 ILE 27 8.013 -27.172 20.246 227 HD12 ILE 27 HD12 ILE 27 7.002 -25.777 20.623 228 HD13 ILE 27 HD13 ILE 27 8.289 -26.259 21.730 229 H LEU 28 HN LEU 28 9.965 -22.757 19.763 230 HA LEU 28 HA LEU 28 7.802 -20.967 19.651 231 HB2 LEU 28 HB2 LEU 28 9.202 -21.396 21.671 232 HB3 LEU 28 HB1 LEU 28 10.520 -20.515 20.902 233 HG LEU 28 HG LEU 28 9.058 -18.503 20.758 234 HD11 LEU 28 HD11 LEU 28 7.016 -18.718 22.449 235 HD12 LEU 28 HD12 LEU 28 7.099 -20.421 21.994 236 HD13 LEU 28 HD13 LEU 28 6.836 -19.187 20.761 237 HD21 LEU 28 HD21 LEU 28 10.571 -18.652 22.626 238 HD22 LEU 28 HD22 LEU 28 9.497 -19.763 23.477 239 HD23 LEU 28 HD23 LEU 28 9.026 -18.079 23.256 240 H ALA 29 HN ALA 29 11.124 -20.725 18.437 241 HA ALA 29 HA ALA 29 10.951 -18.043 17.551 242 HB1 ALA 29 HB1 ALA 29 12.672 -20.312 16.521 243 HB2 ALA 29 HB2 ALA 29 13.096 -19.192 17.816 244 HB3 ALA 29 HB3 ALA 29 12.916 -18.601 16.164 245 H LYS 30 HN LYS 30 10.288 -21.134 15.959 246 HA LYS 30 HA LYS 30 9.741 -20.068 13.388 247 HB2 LYS 30 HB2 LYS 30 10.235 -22.464 13.844 248 HB3 LYS 30 HB1 LYS 30 8.655 -22.609 14.616 249 HG2 LYS 30 HG2 LYS 30 7.533 -21.977 12.554 250 HG3 LYS 30 HG1 LYS 30 9.080 -21.685 11.759 251 HD2 LYS 30 HD2 LYS 30 8.171 -24.364 12.859 252 HD3 LYS 30 HD1 LYS 30 8.116 -23.890 11.162 253 HE2 LYS 30 HE2 LYS 30 10.164 -24.953 11.149 254 HE3 LYS 30 HE1 LYS 30 10.714 -23.353 11.644 255 HZ1 LYS 30 HZ1 LYS 30 11.252 -25.556 13.004 256 HZ2 LYS 30 HZ2 LYS 30 9.795 -25.128 13.764 257 HZ3 LYS 30 HZ3 LYS 30 11.100 -24.039 13.745 258 H LEU 31 HN LEU 31 7.811 -20.542 16.274 259 HA LEU 31 HA LEU 31 5.259 -20.275 15.164 260 HB2 LEU 31 HB2 LEU 31 5.600 -20.973 17.488 261 HB3 LEU 31 HB1 LEU 31 6.262 -19.390 17.883 262 HG LEU 31 HG LEU 31 4.118 -18.324 17.368 263 HD11 LEU 31 HD11 LEU 31 3.110 -19.562 15.658 264 HD12 LEU 31 HD12 LEU 31 2.144 -20.031 17.051 265 HD13 LEU 31 HD13 LEU 31 3.408 -21.108 16.456 266 HD21 LEU 31 HD21 LEU 31 4.575 -19.309 19.641 267 HD22 LEU 31 HD22 LEU 31 3.668 -20.738 19.142 268 HD23 LEU 31 HD23 LEU 31 2.861 -19.174 19.247 269 H GLN 32 HN GLN 32 7.618 -17.861 16.192 270 HA GLN 32 HA GLN 32 6.024 -15.577 16.007 271 HB2 GLN 32 HB2 GLN 32 8.492 -15.873 16.808 272 HB3 GLN 32 HB1 GLN 32 8.906 -15.564 15.122 273 HG2 GLN 32 HG2 GLN 32 7.213 -13.750 16.870 274 HG3 GLN 32 HG1 GLN 32 8.906 -13.477 16.460 275 HE21 GLN 32 HE21 GLN 32 5.977 -12.332 15.629 276 HE22 GLN 32 HE22 GLN 32 6.217 -12.026 13.977 277 H ARG 33 HN ARG 33 7.745 -17.381 13.503 278 HA ARG 33 HA ARG 33 7.392 -15.550 11.389 279 HB2 ARG 33 HB2 ARG 33 8.912 -17.520 11.303 280 HB3 ARG 33 HB1 ARG 33 7.498 -18.571 11.220 281 HG2 ARG 33 HG2 ARG 33 6.777 -17.426 9.142 282 HG3 ARG 33 HG1 ARG 33 8.213 -16.406 9.220 283 HD2 ARG 33 HD2 ARG 33 9.593 -18.526 9.191 284 HD3 ARG 33 HD1 ARG 33 8.103 -19.405 8.859 285 HE ARG 33 HE ARG 33 8.222 -17.393 6.960 286 HH11 ARG 33 HH21 ARG 33 10.181 -20.047 8.002 287 HH12 ARG 33 HH22 ARG 33 10.842 -20.356 6.432 288 HH21 ARG 33 HH11 ARG 33 9.084 -17.789 4.898 289 HH22 ARG 33 HH12 ARG 33 10.221 -19.077 4.673 290 H ILE 34 HN ILE 34 5.364 -18.215 12.569 291 HA ILE 34 HA ILE 34 3.431 -18.330 10.613 292 HB ILE 34 HB ILE 34 2.955 -18.445 13.601 293 HG12 ILE 34 HG12 ILE 34 4.772 -19.982 12.491 294 HG13 ILE 34 HG11 ILE 34 3.588 -20.702 13.575 295 HG21 ILE 34 HG21 ILE 34 1.124 -20.084 12.758 296 HG22 ILE 34 HG22 ILE 34 1.332 -19.273 11.206 297 HG23 ILE 34 HG23 ILE 34 0.831 -18.351 12.623 298 HD11 ILE 34 HD11 ILE 34 4.059 -21.848 11.278 299 HD12 ILE 34 HD12 ILE 34 3.036 -20.578 10.617 300 HD13 ILE 34 HD13 ILE 34 2.389 -21.690 11.818 301 H HIS 35 HN HIS 35 4.027 -15.802 12.925 302 HA HIS 35 HA HIS 35 1.535 -14.504 12.915 303 HB2 HIS 35 HB2 HIS 35 3.427 -13.937 14.425 304 HB3 HIS 35 HB1 HIS 35 4.281 -13.237 13.050 305 HD2 HIS 35 HD2 HIS 35 1.524 -12.257 15.576 306 HE1 HIS 35 HE1 HIS 35 1.663 -9.206 12.662 307 HE2 HIS 35 HE2 HIS 35 0.709 -9.865 14.922 308 H ASN 36 HN ASN 36 4.389 -14.004 10.834 309 HA ASN 36 HA ASN 36 2.942 -12.197 9.086 310 HB2 ASN 36 HB2 ASN 36 5.330 -11.848 9.492 311 HB3 ASN 36 HB1 ASN 36 5.690 -13.433 8.813 312 HD21 ASN 36 HD21 ASN 36 6.933 -12.500 7.029 313 HD22 ASN 36 HD22 ASN 36 6.163 -11.672 5.763 314 H SER 37 HN SER 37 3.975 -15.563 9.094 315 HA SER 37 HA SER 37 3.014 -16.027 6.382 316 HB2 SER 37 HB2 SER 37 4.566 -17.557 8.421 317 HB3 SER 37 HB1 SER 37 3.662 -18.479 7.232 318 HG SER 37 HG SER 37 5.305 -18.061 5.990 319 H ASN 38 HN ASN 38 1.311 -15.350 8.896 320 HA ASN 38 HA ASN 38 -0.229 -17.426 9.782 321 HB2 ASN 38 HB2 ASN 38 -2.072 -15.836 10.021 322 HB3 ASN 38 HB1 ASN 38 -0.547 -15.068 10.463 323 HD21 ASN 38 HD21 ASN 38 -2.855 -13.562 9.573 324 HD22 ASN 38 HD22 ASN 38 -2.453 -12.839 8.091 325 H ILE 39 HN ILE 39 -1.295 -18.987 8.796 326 HA ILE 39 HA ILE 39 -2.196 -20.225 7.055 327 HB ILE 39 HB ILE 39 -3.902 -17.742 6.826 328 HG12 ILE 39 HG12 ILE 39 -4.256 -20.121 8.633 329 HG13 ILE 39 HG11 ILE 39 -3.608 -18.578 9.176 330 HG21 ILE 39 HG21 ILE 39 -4.456 -20.673 6.295 331 HG22 ILE 39 HG22 ILE 39 -4.268 -19.430 5.059 332 HG23 ILE 39 HG23 ILE 39 -5.639 -19.373 6.164 333 HD11 ILE 39 HD11 ILE 39 -5.964 -18.563 9.669 334 HD12 ILE 39 HD12 ILE 39 -6.362 -19.117 8.042 335 HD13 ILE 39 HD13 ILE 39 -5.714 -17.496 8.288 336 H LEU 40 HN LEU 40 -0.102 -19.820 5.837 337 HA LEU 40 HA LEU 40 -0.600 -18.221 3.383 338 HB2 LEU 40 HB2 LEU 40 1.351 -17.499 4.800 339 HB3 LEU 40 HB1 LEU 40 2.072 -19.077 4.506 340 HG LEU 40 HG LEU 40 1.942 -18.640 2.047 341 HD11 LEU 40 HD11 LEU 40 0.318 -17.052 1.617 342 HD12 LEU 40 HD12 LEU 40 1.734 -16.007 1.627 343 HD13 LEU 40 HD13 LEU 40 0.699 -16.101 3.053 344 HD21 LEU 40 HD21 LEU 40 4.005 -18.204 3.340 345 HD22 LEU 40 HD22 LEU 40 3.448 -16.563 3.667 346 HD23 LEU 40 HD23 LEU 40 3.827 -17.052 2.015 347 H ASP 41 HN ASP 41 -0.721 -19.288 1.514 348 HA ASP 41 HA ASP 41 -1.099 -21.929 1.158 349 HB2 ASP 41 HB2 ASP 41 -1.335 -20.281 -0.643 350 HB3 ASP 41 HB1 ASP 41 0.418 -20.145 -0.749 351 H GLU 42 HN GLU 42 2.061 -20.354 1.257 352 HA GLU 42 HA GLU 42 3.504 -22.776 0.733 353 HB2 GLU 42 HB2 GLU 42 4.333 -20.448 0.251 354 HB3 GLU 42 HB1 GLU 42 4.542 -20.233 1.988 355 HG2 GLU 42 HG2 GLU 42 6.668 -20.941 1.109 356 HG3 GLU 42 HG1 GLU 42 5.986 -22.313 1.980 357 H ARG 43 HN ARG 43 2.706 -20.907 3.640 358 HA ARG 43 HA ARG 43 4.154 -22.669 5.395 359 HB2 ARG 43 HB2 ARG 43 3.674 -20.184 5.768 360 HB3 ARG 43 HB1 ARG 43 2.037 -20.669 6.196 361 HG2 ARG 43 HG2 ARG 43 3.020 -20.691 8.298 362 HG3 ARG 43 HG1 ARG 43 3.301 -22.359 7.817 363 HD2 ARG 43 HD2 ARG 43 5.314 -20.141 7.350 364 HD3 ARG 43 HD1 ARG 43 5.315 -21.162 8.782 365 HE ARG 43 HE ARG 43 5.327 -22.967 6.749 366 HH11 ARG 43 HH21 ARG 43 7.180 -20.148 7.500 367 HH12 ARG 43 HH22 ARG 43 8.634 -20.739 6.768 368 HH21 ARG 43 HH11 ARG 43 7.224 -23.748 5.782 369 HH22 ARG 43 HH12 ARG 43 8.659 -22.779 5.795 370 H GLN 44 HN GLN 44 1.021 -22.673 3.984 371 HA GLN 44 HA GLN 44 -0.596 -23.904 5.832 372 HB2 GLN 44 HB2 GLN 44 -0.343 -24.216 2.853 373 HB3 GLN 44 HB1 GLN 44 -1.474 -25.236 3.740 374 HG2 GLN 44 HG2 GLN 44 -2.550 -23.228 4.682 375 HG3 GLN 44 HG1 GLN 44 -1.428 -22.204 3.793 376 HE21 GLN 44 HE21 GLN 44 -3.808 -21.520 2.993 377 HE22 GLN 44 HE22 GLN 44 -4.323 -22.303 1.578 378 H GLY 45 HN GLY 45 2.103 -25.291 4.056 379 HA2 GLY 45 HA2 GLY 45 1.571 -28.004 4.777 380 HA3 GLY 45 HA1 GLY 45 3.096 -27.369 4.163 381 H LEU 46 HN LEU 46 3.808 -25.517 6.015 382 HA LEU 46 HA LEU 46 4.839 -27.110 8.095 383 HB2 LEU 46 HB2 LEU 46 5.629 -24.774 7.069 384 HB3 LEU 46 HB1 LEU 46 4.677 -24.124 8.398 385 HG LEU 46 HG LEU 46 6.967 -24.375 9.158 386 HD11 LEU 46 HD11 LEU 46 4.968 -25.073 10.639 387 HD12 LEU 46 HD12 LEU 46 6.577 -25.568 11.154 388 HD13 LEU 46 HD13 LEU 46 5.523 -26.727 10.364 389 HD21 LEU 46 HD21 LEU 46 7.049 -27.342 8.938 390 HD22 LEU 46 HD22 LEU 46 8.324 -26.151 8.691 391 HD23 LEU 46 HD23 LEU 46 7.170 -26.481 7.403 392 H MET 47 HN MET 47 2.198 -24.761 7.977 393 HA MET 47 HA MET 47 1.530 -24.642 10.662 394 HB2 MET 47 HB2 MET 47 0.495 -23.258 8.893 395 HB3 MET 47 HB1 MET 47 -0.379 -24.675 8.311 396 HG2 MET 47 HG2 MET 47 -1.509 -24.897 10.476 397 HG3 MET 47 HG1 MET 47 -0.587 -23.534 11.105 398 HE1 MET 47 HE1 MET 47 -2.713 -24.490 7.903 399 HE2 MET 47 HE2 MET 47 -4.160 -23.566 8.297 400 HE3 MET 47 HE3 MET 47 -3.589 -24.809 9.406 401 H HIS 48 HN HIS 48 0.509 -27.018 8.220 402 HA HIS 48 HA HIS 48 -1.176 -28.505 9.954 403 HB2 HIS 48 HB2 HIS 48 0.252 -29.270 7.400 404 HB3 HIS 48 HB1 HIS 48 -0.928 -30.295 8.217 405 HD2 HIS 48 HD2 HIS 48 -2.019 -26.653 8.479 406 HE1 HIS 48 HE1 HIS 48 -4.009 -28.203 5.093 407 HE2 HIS 48 HE2 HIS 48 -3.892 -26.244 6.705 408 H GLU 49 HN GLU 49 2.229 -28.829 9.016 409 HA GLU 49 HA GLU 49 2.686 -31.238 10.460 410 HB2 GLU 49 HB2 GLU 49 4.579 -29.110 9.454 411 HB3 GLU 49 HB1 GLU 49 5.102 -30.629 10.185 412 HG2 GLU 49 HG2 GLU 49 3.926 -31.902 8.466 413 HG3 GLU 49 HG1 GLU 49 3.300 -30.414 7.760 414 H LEU 50 HN LEU 50 2.832 -27.838 11.250 415 HA LEU 50 HA LEU 50 4.279 -28.009 13.646 416 HB2 LEU 50 HB2 LEU 50 3.578 -25.913 12.278 417 HB3 LEU 50 HB1 LEU 50 2.086 -25.994 13.208 418 HG LEU 50 HG LEU 50 3.712 -26.163 15.281 419 HD11 LEU 50 HD11 LEU 50 5.465 -24.873 13.166 420 HD12 LEU 50 HD12 LEU 50 5.809 -26.362 14.043 421 HD13 LEU 50 HD13 LEU 50 5.791 -24.822 14.896 422 HD21 LEU 50 HD21 LEU 50 3.874 -23.592 15.262 423 HD22 LEU 50 HD22 LEU 50 2.264 -24.292 15.118 424 HD23 LEU 50 HD23 LEU 50 3.087 -23.675 13.685 425 H MET 51 HN MET 51 0.838 -28.341 12.942 426 HA MET 51 HA MET 51 -0.148 -28.314 15.561 427 HB2 MET 51 HB2 MET 51 -1.553 -28.204 13.520 428 HB3 MET 51 HB1 MET 51 -1.183 -29.896 13.196 429 HG2 MET 51 HG2 MET 51 -2.220 -30.561 15.314 430 HG3 MET 51 HG1 MET 51 -2.531 -28.871 15.711 431 HE1 MET 51 HE1 MET 51 -2.826 -31.552 13.090 432 HE2 MET 51 HE2 MET 51 -4.514 -31.533 12.585 433 HE3 MET 51 HE3 MET 51 -4.097 -32.038 14.221 434 H GLU 52 HN GLU 52 0.723 -31.113 13.531 435 HA GLU 52 HA GLU 52 0.358 -32.992 15.654 436 HB2 GLU 52 HB2 GLU 52 1.365 -34.608 14.099 437 HB3 GLU 52 HB1 GLU 52 0.120 -33.646 13.302 438 HG2 GLU 52 HG2 GLU 52 1.903 -32.136 12.436 439 HG3 GLU 52 HG1 GLU 52 3.114 -33.209 13.132 440 H LEU 53 HN LEU 53 3.132 -31.334 14.248 441 HA LEU 53 HA LEU 53 5.142 -32.752 15.606 442 HB2 LEU 53 HB2 LEU 53 5.589 -31.289 13.689 443 HB3 LEU 53 HB1 LEU 53 5.138 -29.885 14.649 444 HG LEU 53 HG LEU 53 7.204 -31.601 15.931 445 HD11 LEU 53 HD11 LEU 53 9.012 -30.583 14.464 446 HD12 LEU 53 HD12 LEU 53 7.740 -30.177 13.314 447 HD13 LEU 53 HD13 LEU 53 8.063 -31.864 13.713 448 HD21 LEU 53 HD21 LEU 53 6.355 -29.251 16.616 449 HD22 LEU 53 HD22 LEU 53 7.338 -28.649 15.280 450 HD23 LEU 53 HD23 LEU 53 8.099 -29.515 16.614 451 H ILE 54 HN ILE 54 3.240 -29.913 16.521 452 HA ILE 54 HA ILE 54 4.674 -29.260 18.852 453 HB ILE 54 HB ILE 54 1.864 -28.756 17.913 454 HG12 ILE 54 HG12 ILE 54 4.088 -27.537 17.146 455 HG13 ILE 54 HG11 ILE 54 2.634 -26.603 17.468 456 HG21 ILE 54 HG21 ILE 54 3.030 -28.186 20.635 457 HG22 ILE 54 HG22 ILE 54 1.461 -28.877 20.230 458 HG23 ILE 54 HG23 ILE 54 1.764 -27.162 19.956 459 HD11 ILE 54 HD11 ILE 54 4.647 -27.095 19.656 460 HD12 ILE 54 HD12 ILE 54 3.430 -25.823 19.542 461 HD13 ILE 54 HD13 ILE 54 4.857 -25.775 18.506 462 H ASP 55 HN ASP 55 1.828 -31.341 18.361 463 HA ASP 55 HA ASP 55 1.558 -32.023 21.110 464 HB2 ASP 55 HB2 ASP 55 -0.309 -32.198 19.519 465 HB3 ASP 55 HB1 ASP 55 0.558 -33.455 18.638 466 H LEU 56 HN LEU 56 3.153 -33.549 18.353 467 HA LEU 56 HA LEU 56 3.903 -35.874 19.825 468 HB2 LEU 56 HB2 LEU 56 4.436 -34.785 17.109 469 HB3 LEU 56 HB1 LEU 56 5.601 -35.951 17.725 470 HG LEU 56 HG LEU 56 3.685 -36.964 16.404 471 HD11 LEU 56 HD11 LEU 56 3.754 -38.881 17.665 472 HD12 LEU 56 HD12 LEU 56 3.387 -38.052 19.175 473 HD13 LEU 56 HD13 LEU 56 5.022 -38.008 18.519 474 HD21 LEU 56 HD21 LEU 56 1.482 -36.861 17.141 475 HD22 LEU 56 HD22 LEU 56 2.042 -35.263 17.617 476 HD23 LEU 56 HD23 LEU 56 1.932 -36.547 18.815 477 H TYR 57 HN TYR 57 5.270 -32.728 19.342 478 HA TYR 57 HA TYR 57 7.908 -33.479 20.285 479 HB2 TYR 57 HB2 TYR 57 7.690 -31.712 18.623 480 HB3 TYR 57 HB1 TYR 57 6.657 -30.782 19.711 481 HD1 TYR 57 HD1 TYR 57 10.062 -32.252 19.356 482 HD2 TYR 57 HD2 TYR 57 7.591 -29.378 21.374 483 HE1 TYR 57 HE1 TYR 57 12.075 -31.266 20.415 484 HE2 TYR 57 HE2 TYR 57 9.603 -28.391 22.430 485 HH TYR 57 HH TYR 57 11.891 -29.060 23.006 486 H GLU 58 HN GLU 58 5.094 -31.706 21.538 487 HA GLU 58 HA GLU 58 6.267 -30.939 24.000 488 HB2 GLU 58 HB2 GLU 58 4.128 -30.190 24.620 489 HB3 GLU 58 HB1 GLU 58 4.105 -30.069 22.866 490 HG2 GLU 58 HG2 GLU 58 2.086 -31.155 23.248 491 HG3 GLU 58 HG1 GLU 58 3.161 -32.526 22.997 492 H GLU 59 HN GLU 59 4.712 -33.865 22.919 493 HA GLU 59 HA GLU 59 4.546 -34.958 25.612 494 HB2 GLU 59 HB2 GLU 59 3.429 -36.820 24.618 495 HB3 GLU 59 HB1 GLU 59 2.800 -35.366 23.841 496 HG2 GLU 59 HG2 GLU 59 4.514 -35.723 22.018 497 HG3 GLU 59 HG1 GLU 59 4.865 -37.287 22.737 498 H SER 60 HN SER 60 6.844 -34.808 23.104 499 HA SER 60 HA SER 60 8.084 -37.256 23.097 500 HB2 SER 60 HB2 SER 60 9.320 -34.503 23.037 501 HB3 SER 60 HB1 SER 60 10.213 -35.979 22.682 502 HG SER 60 HG SER 60 7.778 -35.540 21.374 503 H GLN 61 HN GLN 61 9.110 -34.565 25.206 504 HA GLN 61 HA GLN 61 10.145 -36.564 27.136 505 HB2 GLN 61 HB2 GLN 61 11.490 -34.418 25.916 506 HB3 GLN 61 HB1 GLN 61 11.170 -33.850 27.550 507 HG2 GLN 61 HG2 GLN 61 12.525 -36.461 26.807 508 HG3 GLN 61 HG1 GLN 61 13.316 -35.036 27.483 509 HE21 GLN 61 HE21 GLN 61 11.746 -37.969 28.306 510 HE22 GLN 61 HE22 GLN 61 11.538 -37.659 29.962 511 HA PRO 62 HA PRO 62 7.655 -33.578 29.748 512 HB2 PRO 62 HB2 PRO 62 6.679 -31.273 28.656 513 HB3 PRO 62 HB1 PRO 62 8.372 -31.443 29.151 514 HG2 PRO 62 HG2 PRO 62 7.236 -31.297 26.445 515 HG3 PRO 62 HG1 PRO 62 8.900 -31.050 26.977 516 HD2 PRO 62 HD2 PRO 62 7.735 -33.465 25.790 517 HD3 PRO 62 HD1 PRO 62 9.426 -33.115 26.179 518 H SER 63 HN SER 63 6.282 -35.513 29.216 519 HA SER 63 HA SER 63 3.789 -35.030 27.782 520 HB2 SER 63 HB2 SER 63 5.025 -37.410 29.153 521 HB3 SER 63 HB1 SER 63 3.337 -37.425 28.652 522 HG SER 63 HG SER 63 5.491 -37.858 27.179 523 H SER 64 HN SER 64 5.032 -34.885 30.997 524 HA SER 64 HA SER 64 2.282 -34.612 32.097 525 HB2 SER 64 HB2 SER 64 3.227 -36.460 33.201 526 HB3 SER 64 HB1 SER 64 4.819 -35.711 33.295 527 HG SER 64 HG SER 64 3.745 -34.094 34.659 528 H GLU 65 HN GLU 65 4.659 -32.764 30.992 529 HA GLU 65 HA GLU 65 5.124 -30.992 33.205 530 HB2 GLU 65 HB2 GLU 65 6.623 -31.320 31.145 531 HB3 GLU 65 HB1 GLU 65 5.457 -30.313 30.290 532 HG2 GLU 65 HG2 GLU 65 5.869 -28.447 31.742 533 HG3 GLU 65 HG1 GLU 65 6.817 -29.439 32.846 534 H ARG 66 HN ARG 66 4.562 -28.632 32.972 535 HA ARG 66 HA ARG 66 1.787 -28.287 33.052 536 HB2 ARG 66 HB2 ARG 66 3.699 -26.823 34.056 537 HB3 ARG 66 HB1 ARG 66 3.687 -26.016 32.488 538 HG2 ARG 66 HG2 ARG 66 2.135 -24.713 33.633 539 HG3 ARG 66 HG1 ARG 66 1.062 -25.910 32.910 540 HD2 ARG 66 HD2 ARG 66 1.162 -27.241 35.007 541 HD3 ARG 66 HD1 ARG 66 2.203 -26.013 35.722 542 HE ARG 66 HE ARG 66 -0.664 -25.791 35.207 543 HH11 ARG 66 HH21 ARG 66 2.332 -24.260 36.033 544 HH12 ARG 66 HH22 ARG 66 1.582 -22.868 36.739 545 HH21 ARG 66 HH11 ARG 66 -1.650 -23.968 36.122 546 HH22 ARG 66 HH12 ARG 66 -0.672 -22.702 36.788 547 H LEU 67 HN LEU 67 3.901 -28.487 30.396 548 HA LEU 67 HA LEU 67 2.913 -26.758 28.523 549 HB2 LEU 67 HB2 LEU 67 4.015 -29.534 28.360 550 HB3 LEU 67 HB1 LEU 67 3.214 -28.916 26.919 551 HG LEU 67 HG LEU 67 4.715 -26.835 27.166 552 HD11 LEU 67 HD11 LEU 67 5.337 -27.480 29.566 553 HD12 LEU 67 HD12 LEU 67 6.675 -27.009 28.518 554 HD13 LEU 67 HD13 LEU 67 6.377 -28.713 28.854 555 HD21 LEU 67 HD21 LEU 67 5.233 -28.282 25.389 556 HD22 LEU 67 HD22 LEU 67 5.687 -29.601 26.466 557 HD23 LEU 67 HD23 LEU 67 6.748 -28.204 26.288 558 H ASN 68 HN ASN 68 1.196 -29.231 30.125 559 HA ASN 68 HA ASN 68 -0.731 -30.060 28.353 560 HB2 ASN 68 HB2 ASN 68 -2.249 -30.230 30.285 561 HB3 ASN 68 HB1 ASN 68 -0.631 -30.796 30.698 562 HD21 ASN 68 HD21 ASN 68 -1.299 -30.268 32.999 563 HD22 ASN 68 HD22 ASN 68 -1.160 -28.662 33.530 564 H ALA 69 HN ALA 69 -0.144 -26.853 29.488 565 HA ALA 69 HA ALA 69 -2.775 -25.813 28.919 566 HB1 ALA 69 HB1 ALA 69 -1.894 -23.696 29.525 567 HB2 ALA 69 HB2 ALA 69 -0.239 -24.200 29.183 568 HB3 ALA 69 HB3 ALA 69 -1.088 -24.852 30.585 569 H PHE 70 HN PHE 70 0.068 -26.474 27.116 570 HA PHE 70 HA PHE 70 0.083 -24.642 25.069 571 HB2 PHE 70 HB2 PHE 70 1.329 -26.187 23.844 572 HB3 PHE 70 HB1 PHE 70 1.537 -26.807 25.477 573 HD1 PHE 70 HD1 PHE 70 -1.033 -28.135 26.031 574 HD2 PHE 70 HD2 PHE 70 1.275 -28.054 22.408 575 HE1 PHE 70 HE1 PHE 70 -2.074 -30.262 25.328 576 HE2 PHE 70 HE2 PHE 70 0.226 -30.191 21.704 577 HZ PHE 70 HZ PHE 70 -1.447 -31.292 23.159 578 H ARG 71 HN ARG 71 -2.365 -26.894 25.885 579 HA ARG 71 HA ARG 71 -3.611 -27.530 23.532 580 HB2 ARG 71 HB2 ARG 71 -5.734 -27.522 24.787 581 HB3 ARG 71 HB1 ARG 71 -4.435 -28.280 25.711 582 HG2 ARG 71 HG2 ARG 71 -4.069 -26.167 26.936 583 HG3 ARG 71 HG1 ARG 71 -5.377 -25.411 26.028 584 HD2 ARG 71 HD2 ARG 71 -6.260 -26.127 28.159 585 HD3 ARG 71 HD1 ARG 71 -6.926 -27.172 26.909 586 HE ARG 71 HE ARG 71 -4.554 -28.327 27.945 587 HH11 ARG 71 HH21 ARG 71 -7.830 -27.588 28.775 588 HH12 ARG 71 HH22 ARG 71 -7.996 -28.913 29.876 589 HH21 ARG 71 HH11 ARG 71 -4.762 -30.067 29.389 590 HH22 ARG 71 HH12 ARG 71 -6.259 -30.318 30.224 591 H GLU 72 HN GLU 72 -3.302 -24.420 25.025 592 HA GLU 72 HA GLU 72 -5.399 -23.078 23.656 593 HB2 GLU 72 HB2 GLU 72 -2.786 -22.052 24.791 594 HB3 GLU 72 HB1 GLU 72 -4.093 -21.022 24.206 595 HG2 GLU 72 HG2 GLU 72 -5.629 -22.017 25.853 596 HG3 GLU 72 HG1 GLU 72 -4.336 -23.066 26.431 597 H LEU 73 HN LEU 73 -1.918 -23.439 23.004 598 HA LEU 73 HA LEU 73 -1.942 -22.028 20.546 599 HB2 LEU 73 HB2 LEU 73 0.148 -22.422 21.769 600 HB3 LEU 73 HB1 LEU 73 -0.035 -24.161 21.553 601 HG LEU 73 HG LEU 73 0.137 -23.899 19.111 602 HD11 LEU 73 HD11 LEU 73 0.111 -20.977 19.836 603 HD12 LEU 73 HD12 LEU 73 -0.761 -21.816 18.554 604 HD13 LEU 73 HD13 LEU 73 0.963 -21.506 18.386 605 HD21 LEU 73 HD21 LEU 73 2.468 -23.465 19.014 606 HD22 LEU 73 HD22 LEU 73 2.191 -24.046 20.657 607 HD23 LEU 73 HD23 LEU 73 2.394 -22.320 20.353 608 H ARG 74 HN ARG 74 -2.323 -25.427 21.405 609 HA ARG 74 HA ARG 74 -2.292 -26.539 18.839 610 HB2 ARG 74 HB2 ARG 74 -2.231 -27.860 20.937 611 HB3 ARG 74 HB1 ARG 74 -3.922 -27.448 21.220 612 HG2 ARG 74 HG2 ARG 74 -4.568 -28.540 19.128 613 HG3 ARG 74 HG1 ARG 74 -2.878 -28.908 18.780 614 HD2 ARG 74 HD2 ARG 74 -2.794 -30.207 20.927 615 HD3 ARG 74 HD1 ARG 74 -4.528 -29.951 21.097 616 HE ARG 74 HE ARG 74 -3.830 -31.101 18.553 617 HH11 ARG 74 HH21 ARG 74 -4.394 -31.709 21.910 618 HH12 ARG 74 HH22 ARG 74 -4.867 -33.359 21.675 619 HH21 ARG 74 HH11 ARG 74 -4.449 -33.266 18.235 620 HH22 ARG 74 HH12 ARG 74 -4.897 -34.241 19.594 621 H THR 75 HN THR 75 -4.872 -25.029 20.698 622 HA THR 75 HA THR 75 -7.010 -25.642 18.996 623 HB THR 75 HB THR 75 -6.568 -23.278 20.756 624 HG1 THR 75 HG1 THR 75 -7.403 -24.491 22.286 625 HG21 THR 75 HG21 THR 75 -9.110 -23.190 20.665 626 HG22 THR 75 HG22 THR 75 -8.983 -24.258 19.266 627 HG23 THR 75 HG23 THR 75 -8.256 -22.653 19.218 628 H GLN 76 HN GLN 76 -4.759 -22.908 19.024 629 HA GLN 76 HA GLN 76 -5.924 -21.431 16.940 630 HB2 GLN 76 HB2 GLN 76 -3.046 -21.657 17.837 631 HB3 GLN 76 HB1 GLN 76 -3.622 -20.464 16.673 632 HG2 GLN 76 HG2 GLN 76 -5.162 -19.540 18.324 633 HG3 GLN 76 HG1 GLN 76 -4.705 -20.785 19.485 634 HE21 GLN 76 HE21 GLN 76 -4.262 -18.419 20.568 635 HE22 GLN 76 HE22 GLN 76 -2.645 -17.915 20.451 636 H LEU 77 HN LEU 77 -3.265 -23.800 16.851 637 HA LEU 77 HA LEU 77 -2.979 -23.794 14.034 638 HB2 LEU 77 HB2 LEU 77 -2.148 -25.643 16.252 639 HB3 LEU 77 HB1 LEU 77 -1.971 -26.178 14.584 640 HG LEU 77 HG LEU 77 0.081 -25.052 15.525 641 HD11 LEU 77 HD11 LEU 77 -0.883 -24.934 12.987 642 HD12 LEU 77 HD12 LEU 77 0.629 -24.179 13.474 643 HD13 LEU 77 HD13 LEU 77 -0.834 -23.210 13.363 644 HD21 LEU 77 HD21 LEU 77 -1.491 -22.484 15.298 645 HD22 LEU 77 HD22 LEU 77 0.078 -22.747 16.062 646 HD23 LEU 77 HD23 LEU 77 -1.387 -23.366 16.817 647 H GLU 78 HN GLU 78 -4.892 -25.764 16.255 648 HA GLU 78 HA GLU 78 -5.880 -27.584 14.321 649 HB2 GLU 78 HB2 GLU 78 -5.985 -27.957 16.775 650 HB3 GLU 78 HB1 GLU 78 -7.190 -26.674 16.895 651 HG2 GLU 78 HG2 GLU 78 -8.684 -27.923 15.386 652 HG3 GLU 78 HG1 GLU 78 -7.476 -29.199 15.242 653 H LYS 79 HN LYS 79 -6.969 -24.431 15.462 654 HA LYS 79 HA LYS 79 -9.479 -24.425 14.146 655 HB2 LYS 79 HB2 LYS 79 -8.858 -22.877 15.991 656 HB3 LYS 79 HB1 LYS 79 -7.745 -22.059 14.895 657 HG2 LYS 79 HG2 LYS 79 -9.599 -21.515 13.380 658 HG3 LYS 79 HG1 LYS 79 -10.729 -22.355 14.441 659 HD2 LYS 79 HD2 LYS 79 -9.010 -20.076 15.434 660 HD3 LYS 79 HD1 LYS 79 -10.575 -19.791 14.678 661 HE2 LYS 79 HE2 LYS 79 -11.539 -21.442 16.389 662 HE3 LYS 79 HE1 LYS 79 -9.995 -21.306 17.231 663 HZ1 LYS 79 HZ1 LYS 79 -12.094 -19.306 16.864 664 HZ2 LYS 79 HZ2 LYS 79 -10.484 -18.764 16.914 665 HZ3 LYS 79 HZ3 LYS 79 -11.132 -19.629 18.224 666 H ALA 80 HN ALA 80 -6.263 -23.240 13.268 667 HA ALA 80 HA ALA 80 -7.007 -22.108 10.794 668 HB1 ALA 80 HB1 ALA 80 -4.301 -23.314 11.341 669 HB2 ALA 80 HB2 ALA 80 -4.803 -21.785 12.063 670 HB3 ALA 80 HB3 ALA 80 -4.698 -21.940 10.308 671 H LEU 81 HN LEU 81 -6.494 -25.361 11.820 672 HA LEU 81 HA LEU 81 -5.830 -26.553 9.362 673 HB2 LEU 81 HB2 LEU 81 -6.017 -27.493 11.874 674 HB3 LEU 81 HB1 LEU 81 -7.588 -28.032 11.295 675 HG LEU 81 HG LEU 81 -5.992 -29.814 10.912 676 HD11 LEU 81 HD11 LEU 81 -7.714 -29.114 9.094 677 HD12 LEU 81 HD12 LEU 81 -6.430 -30.233 8.640 678 HD13 LEU 81 HD13 LEU 81 -6.307 -28.531 8.202 679 HD21 LEU 81 HD21 LEU 81 -4.089 -27.824 10.641 680 HD22 LEU 81 HD22 LEU 81 -4.294 -28.342 8.970 681 HD23 LEU 81 HD23 LEU 81 -3.843 -29.513 10.206 682 H GLY 82 HN GLY 82 -8.957 -25.808 10.856 683 HA2 GLY 82 HA2 GLY 82 -10.566 -27.027 8.855 684 HA3 GLY 82 HA1 GLY 82 -11.097 -25.787 9.990 685 H LEU 83 HN LEU 83 -8.384 -24.684 8.436 686 HA LEU 83 HA LEU 83 -8.001 -23.074 6.844 687 HB2 LEU 83 HB2 LEU 83 -10.400 -24.278 5.444 688 HB3 LEU 83 HB1 LEU 83 -9.096 -23.346 4.711 689 HG LEU 83 HG LEU 83 -8.777 -26.026 6.091 690 HD11 LEU 83 HD11 LEU 83 -9.955 -26.064 3.871 691 HD12 LEU 83 HD12 LEU 83 -8.422 -26.937 3.879 692 HD13 LEU 83 HD13 LEU 83 -8.519 -25.332 3.153 693 HD21 LEU 83 HD21 LEU 83 -6.709 -24.943 6.380 694 HD22 LEU 83 HD22 LEU 83 -6.834 -24.077 4.850 695 HD23 LEU 83 HD23 LEU 83 -6.474 -25.804 4.861 696 H GLU 84 HN GLU 84 -10.520 -23.053 8.861 697 HA GLU 84 HA GLU 84 -12.175 -20.985 7.775 698 HB2 GLU 84 HB2 GLU 84 -13.060 -20.835 10.099 699 HB3 GLU 84 HB1 GLU 84 -13.062 -22.483 9.470 700 HG2 GLU 84 HG2 GLU 84 -10.930 -22.928 10.638 701 HG3 GLU 84 HG1 GLU 84 -10.943 -21.286 11.278 702 H HIS 85 HN HIS 85 -12.123 -18.797 8.127 703 HA HIS 85 HA HIS 85 -10.086 -17.644 9.885 704 HB2 HIS 85 HB2 HIS 85 -8.913 -17.974 7.737 705 HB3 HIS 85 HB1 HIS 85 -10.167 -17.040 6.919 706 HD2 HIS 85 HD2 HIS 85 -9.466 -15.385 10.260 707 HE1 HIS 85 HE1 HIS 85 -6.938 -13.442 7.494 708 HE2 HIS 85 HE2 HIS 85 -7.895 -13.342 9.844 709 H HIS 86 HN HIS 86 -11.879 -16.307 7.121 710 HA HIS 86 HA HIS 86 -13.872 -15.070 8.795 711 HB2 HIS 86 HB2 HIS 86 -13.218 -12.748 8.327 712 HB3 HIS 86 HB1 HIS 86 -11.962 -13.586 9.238 713 HD2 HIS 86 HD2 HIS 86 -11.958 -11.271 6.373 714 HE1 HIS 86 HE1 HIS 86 -8.917 -14.028 5.381 715 HE2 HIS 86 HE2 HIS 86 -9.909 -11.756 4.829 716 H HIS 87 HN HIS 87 -15.164 -16.239 7.267 717 HA HIS 87 HA HIS 87 -16.266 -16.587 5.256 718 HB2 HIS 87 HB2 HIS 87 -16.221 -13.570 5.476 719 HB3 HIS 87 HB1 HIS 87 -17.262 -14.475 4.377 720 HD2 HIS 87 HD2 HIS 87 -19.380 -15.913 5.653 721 HE1 HIS 87 HE1 HIS 87 -18.715 -14.293 9.495 722 HE2 HIS 87 HE2 HIS 87 -20.317 -15.663 8.078 723 H HIS 88 HN HIS 88 -15.792 -13.871 3.486 724 HA HIS 88 HA HIS 88 -14.779 -13.571 1.430 725 HB2 HIS 88 HB2 HIS 88 -12.474 -14.314 3.240 726 HB3 HIS 88 HB1 HIS 88 -12.250 -13.736 1.589 727 HD2 HIS 88 HD2 HIS 88 -12.606 -10.968 1.254 728 HE1 HIS 88 HE1 HIS 88 -13.761 -10.116 5.225 729 HE2 HIS 88 HE2 HIS 88 -13.141 -9.089 2.987 730 H HIS 89 HN HIS 89 -15.697 -16.358 2.225 731 HA HIS 89 HA HIS 89 -13.963 -18.280 1.112 732 HB2 HIS 89 HB2 HIS 89 -15.890 -19.759 1.125 733 HB3 HIS 89 HB1 HIS 89 -15.863 -18.806 2.608 734 HD2 HIS 89 HD2 HIS 89 -18.006 -19.092 -0.679 735 HE1 HIS 89 HE1 HIS 89 -19.959 -16.426 1.947 736 HE2 HIS 89 HE2 HIS 89 -20.166 -17.691 -0.244 737 H HIS 90 HN HIS 90 -16.684 -16.483 -0.365 738 HA HIS 90 HA HIS 90 -16.857 -17.743 -2.798 739 HB2 HIS 90 HB2 HIS 90 -18.254 -15.795 -2.116 740 HB3 HIS 90 HB1 HIS 90 -16.880 -14.737 -2.443 741 HD2 HIS 90 HD2 HIS 90 -19.516 -16.858 -4.442 742 HE1 HIS 90 HE1 HIS 90 -17.168 -14.733 -7.234 743 HE2 HIS 90 HE2 HIS 90 -19.212 -16.212 -6.954 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -9.335 -11.490 16.417 2 H2 MET 1 HT2 MET 1 -10.262 -11.135 17.796 3 H3 MET 1 HT3 MET 1 -10.648 -12.480 16.832 4 HA MET 1 HA MET 1 -8.643 -12.193 18.899 5 HB2 MET 1 HB2 MET 1 -10.154 -14.494 17.624 6 HB3 MET 1 HB1 MET 1 -9.045 -14.673 18.983 7 HG2 MET 1 HG2 MET 1 -10.411 -13.113 20.315 8 HG3 MET 1 HG1 MET 1 -11.521 -12.924 18.958 9 HE1 MET 1 HE1 MET 1 -13.896 -14.944 21.023 10 HE2 MET 1 HE2 MET 1 -13.512 -13.471 20.134 11 HE3 MET 1 HE3 MET 1 -12.767 -13.764 21.704 12 H GLY 2 HN GLY 2 -8.893 -14.329 16.052 13 HA2 GLY 2 HA2 GLY 2 -7.318 -14.885 14.445 14 HA3 GLY 2 HA1 GLY 2 -6.282 -13.608 15.077 15 H VAL 3 HN VAL 3 -4.723 -15.505 14.543 16 HA VAL 3 HA VAL 3 -4.501 -17.338 16.870 17 HB VAL 3 HB VAL 3 -3.331 -17.528 14.084 18 HG11 VAL 3 HG11 VAL 3 -2.945 -19.175 16.588 19 HG12 VAL 3 HG12 VAL 3 -1.717 -18.521 15.504 20 HG13 VAL 3 HG13 VAL 3 -2.718 -19.876 14.987 21 HG21 VAL 3 HG21 VAL 3 -4.790 -19.611 14.073 22 HG22 VAL 3 HG22 VAL 3 -5.669 -18.082 14.065 23 HG23 VAL 3 HG23 VAL 3 -5.524 -19.008 15.559 24 H TRP 4 HN TRP 4 -3.533 -15.772 18.220 25 HA TRP 4 HA TRP 4 -0.707 -15.182 17.544 26 HB2 TRP 4 HB2 TRP 4 -2.873 -13.377 18.516 27 HB3 TRP 4 HB1 TRP 4 -1.288 -13.159 19.253 28 HD1 TRP 4 HD1 TRP 4 0.528 -11.971 17.877 29 HE1 TRP 4 HE1 TRP 4 0.654 -11.006 15.490 30 HE3 TRP 4 HE3 TRP 4 -3.840 -13.795 15.956 31 HZ2 TRP 4 HZ2 TRP 4 -0.890 -11.012 13.084 32 HZ3 TRP 4 HZ3 TRP 4 -4.484 -13.301 13.615 33 HH2 TRP 4 HH2 TRP 4 -3.018 -11.912 12.179 34 H THR 5 HN THR 5 0.733 -15.820 18.965 35 HA THR 5 HA THR 5 0.282 -15.974 21.766 36 HB THR 5 HB THR 5 0.670 -18.683 20.497 37 HG1 THR 5 HG1 THR 5 -1.797 -17.560 21.316 38 HG21 THR 5 HG21 THR 5 1.198 -18.289 22.913 39 HG22 THR 5 HG22 THR 5 -0.093 -19.465 22.667 40 HG23 THR 5 HG23 THR 5 -0.483 -17.817 23.161 41 HA PRO 6 HA PRO 6 4.650 -16.131 19.816 42 HB2 PRO 6 HB2 PRO 6 5.330 -13.500 20.277 43 HB3 PRO 6 HB1 PRO 6 4.579 -14.065 18.772 44 HG2 PRO 6 HG2 PRO 6 3.294 -12.790 21.148 45 HG3 PRO 6 HG1 PRO 6 3.048 -12.450 19.427 46 HD2 PRO 6 HD2 PRO 6 1.304 -13.973 20.807 47 HD3 PRO 6 HD1 PRO 6 1.711 -14.335 19.112 48 H GLU 7 HN GLU 7 6.705 -15.260 21.068 49 HA GLU 7 HA GLU 7 6.868 -16.454 23.549 50 HB2 GLU 7 HB2 GLU 7 8.915 -15.109 23.899 51 HB3 GLU 7 HB1 GLU 7 8.848 -15.798 22.277 52 HG2 GLU 7 HG2 GLU 7 7.974 -13.659 21.405 53 HG3 GLU 7 HG1 GLU 7 8.059 -12.966 23.024 54 H VAL 8 HN VAL 8 5.350 -13.506 22.734 55 HA VAL 8 HA VAL 8 5.612 -11.913 24.975 56 HB VAL 8 HB VAL 8 3.076 -12.452 23.416 57 HG11 VAL 8 HG11 VAL 8 2.526 -10.107 24.158 58 HG12 VAL 8 HG12 VAL 8 3.905 -10.196 25.253 59 HG13 VAL 8 HG13 VAL 8 2.543 -11.296 25.459 60 HG21 VAL 8 HG21 VAL 8 3.750 -10.655 21.979 61 HG22 VAL 8 HG22 VAL 8 5.146 -11.724 22.116 62 HG23 VAL 8 HG23 VAL 8 5.089 -10.223 23.040 63 H LEU 9 HN LEU 9 3.437 -14.684 24.481 64 HA LEU 9 HA LEU 9 2.104 -14.502 26.955 65 HB2 LEU 9 HB2 LEU 9 1.288 -15.927 25.119 66 HB3 LEU 9 HB1 LEU 9 2.707 -16.959 25.285 67 HG LEU 9 HG LEU 9 2.028 -17.554 27.579 68 HD11 LEU 9 HD11 LEU 9 0.866 -15.742 28.484 69 HD12 LEU 9 HD12 LEU 9 -0.456 -16.848 28.125 70 HD13 LEU 9 HD13 LEU 9 -0.110 -15.506 27.035 71 HD21 LEU 9 HD21 LEU 9 -0.060 -18.804 26.977 72 HD22 LEU 9 HD22 LEU 9 1.223 -18.969 25.777 73 HD23 LEU 9 HD23 LEU 9 -0.132 -17.881 25.476 74 H LYS 10 HN LYS 10 5.025 -16.252 25.966 75 HA LYS 10 HA LYS 10 5.511 -17.534 28.436 76 HB2 LYS 10 HB2 LYS 10 6.599 -18.142 26.285 77 HB3 LYS 10 HB1 LYS 10 7.533 -16.650 26.363 78 HG2 LYS 10 HG2 LYS 10 8.504 -17.365 28.520 79 HG3 LYS 10 HG1 LYS 10 7.580 -18.864 28.438 80 HD2 LYS 10 HD2 LYS 10 9.473 -18.042 26.229 81 HD3 LYS 10 HD1 LYS 10 10.035 -18.936 27.639 82 HE2 LYS 10 HE2 LYS 10 8.220 -20.655 27.120 83 HE3 LYS 10 HE1 LYS 10 8.000 -19.824 25.580 84 HZ1 LYS 10 HZ1 LYS 10 10.745 -20.262 26.050 85 HZ2 LYS 10 HZ2 LYS 10 9.778 -20.831 24.774 86 HZ3 LYS 10 HZ3 LYS 10 9.911 -21.729 26.209 87 H ALA 11 HN ALA 11 6.612 -14.443 27.098 88 HA ALA 11 HA ALA 11 8.296 -13.717 29.243 89 HB1 ALA 11 HB1 ALA 11 8.186 -12.626 26.955 90 HB2 ALA 11 HB2 ALA 11 8.259 -11.509 28.318 91 HB3 ALA 11 HB3 ALA 11 6.724 -11.807 27.504 92 H ARG 12 HN ARG 12 4.843 -13.294 28.660 93 HA ARG 12 HA ARG 12 4.300 -11.573 30.836 94 HB2 ARG 12 HB2 ARG 12 2.608 -13.553 29.307 95 HB3 ARG 12 HB1 ARG 12 1.946 -12.545 30.592 96 HG2 ARG 12 HG2 ARG 12 3.539 -11.225 28.400 97 HG3 ARG 12 HG1 ARG 12 1.886 -11.731 28.055 98 HD2 ARG 12 HD2 ARG 12 2.622 -10.017 30.441 99 HD3 ARG 12 HD1 ARG 12 2.112 -9.354 28.891 100 HE ARG 12 HE ARG 12 0.215 -11.268 29.725 101 HH11 ARG 12 HH21 ARG 12 1.472 -8.161 30.568 102 HH12 ARG 12 HH22 ARG 12 -0.007 -7.601 31.276 103 HH21 ARG 12 HH11 ARG 12 -1.728 -10.546 30.649 104 HH22 ARG 12 HH12 ARG 12 -1.820 -8.953 31.322 105 H ALA 13 HN ALA 13 4.181 -15.113 30.518 106 HA ALA 13 HA ALA 13 3.386 -15.570 33.224 107 HB1 ALA 13 HB1 ALA 13 3.033 -17.205 31.378 108 HB2 ALA 13 HB2 ALA 13 3.867 -17.906 32.765 109 HB3 ALA 13 HB3 ALA 13 4.775 -17.466 31.319 110 H SER 14 HN SER 14 6.466 -15.472 31.515 111 HA SER 14 HA SER 14 7.967 -16.063 33.963 112 HB2 SER 14 HB2 SER 14 8.655 -17.098 31.815 113 HB3 SER 14 HB1 SER 14 8.952 -15.491 31.156 114 HG SER 14 HG SER 14 10.881 -16.158 31.955 115 H VAL 15 HN VAL 15 6.428 -13.463 32.983 116 HA VAL 15 HA VAL 15 6.612 -11.209 33.369 117 HB VAL 15 HB VAL 15 9.052 -11.881 35.019 118 HG11 VAL 15 HG11 VAL 15 8.536 -9.481 34.566 119 HG12 VAL 15 HG12 VAL 15 8.389 -9.898 36.273 120 HG13 VAL 15 HG13 VAL 15 6.942 -9.721 35.281 121 HG21 VAL 15 HG21 VAL 15 6.108 -12.046 35.735 122 HG22 VAL 15 HG22 VAL 15 7.423 -12.119 36.907 123 HG23 VAL 15 HG23 VAL 15 7.252 -13.386 35.692 124 H ILE 16 HN ILE 16 10.038 -12.180 33.434 125 HA ILE 16 HA ILE 16 10.598 -10.199 31.315 126 HB ILE 16 HB ILE 16 12.952 -10.436 32.052 127 HG12 ILE 16 HG12 ILE 16 11.766 -12.205 34.218 128 HG13 ILE 16 HG11 ILE 16 12.758 -12.783 32.880 129 HG21 ILE 16 HG21 ILE 16 11.358 -8.766 33.054 130 HG22 ILE 16 HG22 ILE 16 12.674 -9.230 34.131 131 HG23 ILE 16 HG23 ILE 16 11.064 -9.911 34.363 132 HD11 ILE 16 HD11 ILE 16 14.260 -12.516 34.711 133 HD12 ILE 16 HD12 ILE 16 13.580 -10.944 35.130 134 HD13 ILE 16 HD13 ILE 16 14.538 -11.125 33.661 135 H GLY 17 HN GLY 17 11.497 -10.756 29.398 136 HA2 GLY 17 HA2 GLY 17 11.283 -13.512 28.578 137 HA3 GLY 17 HA1 GLY 17 11.769 -12.153 27.568 138 H LYS 18 HN LYS 18 12.917 -14.920 28.059 139 HA LYS 18 HA LYS 18 15.657 -14.195 27.855 140 HB2 LYS 18 HB2 LYS 18 15.170 -13.953 30.367 141 HB3 LYS 18 HB1 LYS 18 15.023 -15.711 30.386 142 HG2 LYS 18 HG2 LYS 18 17.327 -15.718 29.196 143 HG3 LYS 18 HG1 LYS 18 17.446 -14.038 29.717 144 HD2 LYS 18 HD2 LYS 18 17.088 -16.468 31.495 145 HD3 LYS 18 HD1 LYS 18 18.512 -15.432 31.392 146 HE2 LYS 18 HE2 LYS 18 15.783 -14.732 32.489 147 HE3 LYS 18 HE1 LYS 18 17.333 -14.693 33.329 148 HZ1 LYS 18 HZ1 LYS 18 17.891 -13.034 31.384 149 HZ2 LYS 18 HZ2 LYS 18 17.125 -12.510 32.807 150 HZ3 LYS 18 HZ3 LYS 18 16.212 -12.800 31.404 151 HA PRO 19 HA PRO 19 14.070 -18.475 26.541 152 HB2 PRO 19 HB2 PRO 19 14.208 -18.041 23.825 153 HB3 PRO 19 HB1 PRO 19 12.748 -17.759 24.794 154 HG2 PRO 19 HG2 PRO 19 14.801 -15.800 23.864 155 HG3 PRO 19 HG1 PRO 19 13.034 -15.652 23.892 156 HD2 PRO 19 HD2 PRO 19 14.586 -14.489 25.786 157 HD3 PRO 19 HD1 PRO 19 12.977 -15.144 26.170 158 H ILE 20 HN ILE 20 15.460 -20.127 25.974 159 HA ILE 20 HA ILE 20 18.276 -19.439 25.742 160 HB ILE 20 HB ILE 20 18.600 -21.918 25.962 161 HG12 ILE 20 HG12 ILE 20 15.643 -21.967 26.607 162 HG13 ILE 20 HG11 ILE 20 16.248 -22.331 24.988 163 HG21 ILE 20 HG21 ILE 20 18.149 -21.933 28.313 164 HG22 ILE 20 HG22 ILE 20 16.821 -20.786 28.137 165 HG23 ILE 20 HG23 ILE 20 18.485 -20.252 27.904 166 HD11 ILE 20 HD11 ILE 20 17.083 -23.763 27.531 167 HD12 ILE 20 HD12 ILE 20 17.668 -24.124 25.908 168 HD13 ILE 20 HD13 ILE 20 15.975 -24.400 26.316 169 H GLY 21 HN GLY 21 19.641 -20.067 24.070 170 HA2 GLY 21 HA2 GLY 21 18.355 -20.204 21.476 171 HA3 GLY 21 HA1 GLY 21 20.087 -20.111 21.786 172 H GLU 22 HN GLU 22 17.556 -22.113 20.837 173 HA GLU 22 HA GLU 22 19.237 -24.343 20.347 174 HB2 GLU 22 HB2 GLU 22 18.978 -24.562 22.841 175 HB3 GLU 22 HB1 GLU 22 17.244 -24.747 22.597 176 HG2 GLU 22 HG2 GLU 22 17.543 -26.784 21.375 177 HG3 GLU 22 HG1 GLU 22 19.281 -26.528 21.240 178 H SER 23 HN SER 23 17.901 -26.264 19.598 179 HA SER 23 HA SER 23 16.099 -25.509 17.610 180 HB2 SER 23 HB2 SER 23 17.291 -27.683 17.673 181 HB3 SER 23 HB1 SER 23 16.275 -28.185 19.021 182 HG SER 23 HG SER 23 15.576 -28.840 16.854 183 H TYR 24 HN TYR 24 15.623 -25.923 20.998 184 HA TYR 24 HA TYR 24 12.799 -26.438 20.917 185 HB2 TYR 24 HB2 TYR 24 14.155 -27.054 22.875 186 HB3 TYR 24 HB1 TYR 24 14.507 -25.349 23.167 187 HD1 TYR 24 HD2 TYR 24 11.798 -27.890 23.054 188 HD2 TYR 24 HD1 TYR 24 12.896 -23.894 24.187 189 HE1 TYR 24 HE2 TYR 24 9.672 -27.661 24.313 190 HE2 TYR 24 HE1 TYR 24 10.771 -23.667 25.446 191 HH TYR 24 HH TYR 24 8.273 -25.062 25.103 192 H LYS 25 HN LYS 25 14.751 -23.672 20.487 193 HA LYS 25 HA LYS 25 12.614 -21.780 21.185 194 HB2 LYS 25 HB2 LYS 25 14.972 -21.286 21.831 195 HB3 LYS 25 HB1 LYS 25 15.404 -21.250 20.121 196 HG2 LYS 25 HG2 LYS 25 13.861 -19.399 19.731 197 HG3 LYS 25 HG1 LYS 25 13.307 -19.473 21.404 198 HD2 LYS 25 HD2 LYS 25 15.603 -18.943 22.169 199 HD3 LYS 25 HD1 LYS 25 16.125 -18.829 20.487 200 HE2 LYS 25 HE2 LYS 25 13.910 -17.145 21.688 201 HE3 LYS 25 HE1 LYS 25 15.579 -16.603 21.516 202 HZ1 LYS 25 HZ1 LYS 25 15.054 -17.507 19.057 203 HZ2 LYS 25 HZ2 LYS 25 14.863 -15.888 19.533 204 HZ3 LYS 25 HZ3 LYS 25 13.522 -16.932 19.507 205 H ARG 26 HN ARG 26 13.910 -23.447 18.486 206 HA ARG 26 HA ARG 26 13.284 -21.611 16.425 207 HB2 ARG 26 HB2 ARG 26 14.797 -23.529 16.106 208 HB3 ARG 26 HB1 ARG 26 13.443 -24.634 16.323 209 HG2 ARG 26 HG2 ARG 26 12.979 -22.526 14.269 210 HG3 ARG 26 HG1 ARG 26 14.281 -23.645 13.877 211 HD2 ARG 26 HD2 ARG 26 12.752 -25.554 14.237 212 HD3 ARG 26 HD1 ARG 26 11.446 -24.434 14.616 213 HE ARG 26 HE ARG 26 11.236 -23.985 12.342 214 HH11 ARG 26 HH21 ARG 26 14.204 -25.617 13.040 215 HH12 ARG 26 HH22 ARG 26 14.606 -25.894 11.377 216 HH21 ARG 26 HH11 ARG 26 11.753 -24.338 10.160 217 HH22 ARG 26 HH12 ARG 26 13.215 -25.169 9.745 218 H ILE 27 HN ILE 27 11.467 -24.219 17.982 219 HA ILE 27 HA ILE 27 9.246 -24.157 16.257 220 HB ILE 27 HB ILE 27 9.714 -25.965 17.903 221 HG12 ILE 27 HG12 ILE 27 7.018 -24.687 18.429 222 HG13 ILE 27 HG11 ILE 27 7.408 -25.491 16.906 223 HG21 ILE 27 HG21 ILE 27 8.539 -24.133 19.999 224 HG22 ILE 27 HG22 ILE 27 10.278 -24.212 19.725 225 HG23 ILE 27 HG23 ILE 27 9.400 -25.655 20.223 226 HD11 ILE 27 HD11 ILE 27 8.015 -27.546 18.215 227 HD12 ILE 27 HD12 ILE 27 6.319 -27.097 18.371 228 HD13 ILE 27 HD13 ILE 27 7.448 -26.734 19.672 229 H LEU 28 HN LEU 28 9.895 -22.497 19.320 230 HA LEU 28 HA LEU 28 7.425 -21.131 19.450 231 HB2 LEU 28 HB2 LEU 28 8.911 -21.404 21.401 232 HB3 LEU 28 HB1 LEU 28 10.108 -20.365 20.631 233 HG LEU 28 HG LEU 28 8.494 -18.493 20.632 234 HD11 LEU 28 HD11 LEU 28 6.673 -20.632 21.709 235 HD12 LEU 28 HD12 LEU 28 6.341 -19.372 20.519 236 HD13 LEU 28 HD13 LEU 28 6.433 -18.963 22.229 237 HD21 LEU 28 HD21 LEU 28 9.030 -19.894 23.260 238 HD22 LEU 28 HD22 LEU 28 8.337 -18.276 23.175 239 HD23 LEU 28 HD23 LEU 28 9.947 -18.579 22.524 240 H ALA 29 HN ALA 29 10.605 -20.218 18.174 241 HA ALA 29 HA ALA 29 9.890 -17.578 17.420 242 HB1 ALA 29 HB1 ALA 29 12.204 -18.024 17.625 243 HB2 ALA 29 HB2 ALA 29 11.933 -17.821 15.894 244 HB3 ALA 29 HB3 ALA 29 12.107 -19.439 16.576 245 H LYS 30 HN LYS 30 9.766 -20.681 15.772 246 HA LYS 30 HA LYS 30 9.215 -19.759 13.172 247 HB2 LYS 30 HB2 LYS 30 9.814 -22.102 13.727 248 HB3 LYS 30 HB1 LYS 30 8.234 -22.297 14.488 249 HG2 LYS 30 HG2 LYS 30 7.094 -21.908 12.402 250 HG3 LYS 30 HG1 LYS 30 8.599 -21.443 11.606 251 HD2 LYS 30 HD2 LYS 30 7.987 -23.754 11.014 252 HD3 LYS 30 HD1 LYS 30 9.480 -23.734 11.953 253 HE2 LYS 30 HE2 LYS 30 8.408 -24.527 13.896 254 HE3 LYS 30 HE1 LYS 30 6.813 -24.075 13.305 255 HZ1 LYS 30 HZ1 LYS 30 8.341 -26.466 12.830 256 HZ2 LYS 30 HZ2 LYS 30 7.690 -25.789 11.414 257 HZ3 LYS 30 HZ3 LYS 30 6.669 -26.208 12.706 258 H LEU 31 HN LEU 31 7.213 -20.116 16.007 259 HA LEU 31 HA LEU 31 4.681 -20.104 14.813 260 HB2 LEU 31 HB2 LEU 31 5.121 -20.529 17.237 261 HB3 LEU 31 HB1 LEU 31 5.468 -18.814 17.437 262 HG LEU 31 HG LEU 31 3.175 -18.288 16.592 263 HD11 LEU 31 HD11 LEU 31 1.601 -20.407 16.800 264 HD12 LEU 31 HD12 LEU 31 3.071 -21.286 16.397 265 HD13 LEU 31 HD13 LEU 31 2.435 -20.069 15.293 266 HD21 LEU 31 HD21 LEU 31 3.426 -18.281 18.953 267 HD22 LEU 31 HD22 LEU 31 3.529 -20.040 19.028 268 HD23 LEU 31 HD23 LEU 31 1.992 -19.262 18.653 269 H GLN 32 HN GLN 32 6.833 -17.447 15.735 270 HA GLN 32 HA GLN 32 5.151 -15.281 15.332 271 HB2 GLN 32 HB2 GLN 32 7.431 -15.069 16.217 272 HB3 GLN 32 HB1 GLN 32 8.091 -15.499 14.639 273 HG2 GLN 32 HG2 GLN 32 7.146 -13.512 13.631 274 HG3 GLN 32 HG1 GLN 32 6.275 -13.121 15.113 275 HE21 GLN 32 HE21 GLN 32 8.121 -11.267 13.971 276 HE22 GLN 32 HE22 GLN 32 9.457 -11.129 15.010 277 H ARG 33 HN ARG 33 6.972 -17.170 12.958 278 HA ARG 33 HA ARG 33 6.392 -15.537 10.719 279 HB2 ARG 33 HB2 ARG 33 8.039 -17.640 11.111 280 HB3 ARG 33 HB1 ARG 33 6.712 -18.491 10.328 281 HG2 ARG 33 HG2 ARG 33 8.166 -16.065 9.224 282 HG3 ARG 33 HG1 ARG 33 8.349 -17.724 8.658 283 HD2 ARG 33 HD2 ARG 33 5.809 -17.674 8.242 284 HD3 ARG 33 HD1 ARG 33 5.935 -15.927 8.441 285 HE ARG 33 HE ARG 33 6.975 -17.499 6.217 286 HH11 ARG 33 HH21 ARG 33 6.917 -14.500 7.949 287 HH12 ARG 33 HH22 ARG 33 7.500 -13.565 6.615 288 HH21 ARG 33 HH11 ARG 33 7.741 -16.282 4.474 289 HH22 ARG 33 HH12 ARG 33 7.969 -14.573 4.646 290 H ILE 34 HN ILE 34 4.755 -18.326 12.155 291 HA ILE 34 HA ILE 34 2.782 -18.686 10.177 292 HB ILE 34 HB ILE 34 2.468 -19.171 13.147 293 HG12 ILE 34 HG12 ILE 34 4.537 -20.216 12.457 294 HG13 ILE 34 HG11 ILE 34 3.318 -21.476 12.589 295 HG21 ILE 34 HG21 ILE 34 1.023 -21.053 12.282 296 HG22 ILE 34 HG22 ILE 34 1.190 -20.358 10.670 297 HG23 ILE 34 HG23 ILE 34 0.393 -19.440 11.947 298 HD11 ILE 34 HD11 ILE 34 2.929 -21.042 10.048 299 HD12 ILE 34 HD12 ILE 34 4.352 -21.953 10.542 300 HD13 ILE 34 HD13 ILE 34 4.505 -20.256 10.106 301 H HIS 35 HN HIS 35 2.865 -16.650 13.078 302 HA HIS 35 HA HIS 35 0.239 -15.745 13.083 303 HB2 HIS 35 HB2 HIS 35 2.810 -14.319 13.796 304 HB3 HIS 35 HB1 HIS 35 1.209 -13.657 14.124 305 HD2 HIS 35 HD2 HIS 35 3.234 -14.701 16.616 306 HE1 HIS 35 HE1 HIS 35 0.348 -17.758 17.010 307 HE2 HIS 35 HE2 HIS 35 2.267 -16.563 18.169 308 H ASN 36 HN ASN 36 3.049 -14.380 11.346 309 HA ASN 36 HA ASN 36 1.573 -12.311 10.064 310 HB2 ASN 36 HB2 ASN 36 3.999 -12.186 10.309 311 HB3 ASN 36 HB1 ASN 36 4.194 -13.611 9.290 312 HD21 ASN 36 HD21 ASN 36 5.477 -11.355 8.386 313 HD22 ASN 36 HD22 ASN 36 4.649 -10.676 7.070 314 H SER 37 HN SER 37 2.527 -15.577 9.090 315 HA SER 37 HA SER 37 1.103 -15.331 6.541 316 HB2 SER 37 HB2 SER 37 2.919 -17.427 7.716 317 HB3 SER 37 HB1 SER 37 2.015 -17.683 6.225 318 HG SER 37 HG SER 37 3.669 -16.698 5.363 319 H ASN 38 HN ASN 38 -0.117 -15.514 9.351 320 HA ASN 38 HA ASN 38 -1.349 -17.902 9.887 321 HB2 ASN 38 HB2 ASN 38 -3.220 -16.606 10.818 322 HB3 ASN 38 HB1 ASN 38 -1.676 -15.872 11.249 323 HD21 ASN 38 HD21 ASN 38 -3.437 -13.975 11.472 324 HD22 ASN 38 HD22 ASN 38 -3.607 -13.002 10.093 325 H ILE 39 HN ILE 39 -3.297 -18.896 9.253 326 HA ILE 39 HA ILE 39 -4.474 -19.849 7.473 327 HB ILE 39 HB ILE 39 -6.363 -18.302 6.860 328 HG12 ILE 39 HG12 ILE 39 -5.019 -16.514 8.856 329 HG13 ILE 39 HG11 ILE 39 -4.920 -16.267 7.119 330 HG21 ILE 39 HG21 ILE 39 -6.506 -19.826 8.776 331 HG22 ILE 39 HG22 ILE 39 -7.265 -18.284 9.171 332 HG23 ILE 39 HG23 ILE 39 -5.652 -18.654 9.780 333 HD11 ILE 39 HD11 ILE 39 -7.488 -16.427 8.699 334 HD12 ILE 39 HD12 ILE 39 -7.346 -16.098 6.974 335 HD13 ILE 39 HD13 ILE 39 -6.742 -14.927 8.148 336 H LEU 40 HN LEU 40 -2.219 -19.500 6.245 337 HA LEU 40 HA LEU 40 -2.829 -17.991 3.762 338 HB2 LEU 40 HB2 LEU 40 -0.886 -17.131 5.082 339 HB3 LEU 40 HB1 LEU 40 -0.098 -18.690 4.849 340 HG LEU 40 HG LEU 40 -0.254 -18.358 2.389 341 HD11 LEU 40 HD11 LEU 40 -1.989 -16.939 1.866 342 HD12 LEU 40 HD12 LEU 40 -0.679 -15.763 1.851 343 HD13 LEU 40 HD13 LEU 40 -1.721 -15.905 3.267 344 HD21 LEU 40 HD21 LEU 40 1.721 -17.606 3.818 345 HD22 LEU 40 HD22 LEU 40 1.063 -15.974 3.708 346 HD23 LEU 40 HD23 LEU 40 1.576 -16.818 2.247 347 H ASP 41 HN ASP 41 -3.259 -19.228 2.084 348 HA ASP 41 HA ASP 41 -3.318 -21.932 1.927 349 HB2 ASP 41 HB2 ASP 41 -4.117 -20.266 0.198 350 HB3 ASP 41 HB1 ASP 41 -2.462 -20.230 -0.409 351 H GLU 42 HN GLU 42 -0.501 -19.992 1.974 352 HA GLU 42 HA GLU 42 1.253 -21.956 0.788 353 HB2 GLU 42 HB2 GLU 42 1.721 -19.539 0.621 354 HB3 GLU 42 HB1 GLU 42 1.895 -19.461 2.373 355 HG2 GLU 42 HG2 GLU 42 3.778 -21.012 2.301 356 HG3 GLU 42 HG1 GLU 42 3.566 -21.231 0.565 357 H ARG 43 HN ARG 43 0.943 -20.551 4.064 358 HA ARG 43 HA ARG 43 2.564 -22.653 5.202 359 HB2 ARG 43 HB2 ARG 43 1.183 -20.194 6.254 360 HB3 ARG 43 HB1 ARG 43 1.721 -21.425 7.397 361 HG2 ARG 43 HG2 ARG 43 3.604 -20.371 5.284 362 HG3 ARG 43 HG1 ARG 43 3.360 -19.494 6.787 363 HD2 ARG 43 HD2 ARG 43 3.968 -21.569 8.043 364 HD3 ARG 43 HD1 ARG 43 4.350 -22.346 6.518 365 HE ARG 43 HE ARG 43 5.892 -20.251 7.832 366 HH11 ARG 43 HH21 ARG 43 5.229 -22.083 4.972 367 HH12 ARG 43 HH22 ARG 43 6.786 -21.807 4.268 368 HH21 ARG 43 HH11 ARG 43 7.929 -19.882 6.919 369 HH22 ARG 43 HH12 ARG 43 8.319 -20.556 5.372 370 H GLN 44 HN GLN 44 -0.793 -22.136 4.652 371 HA GLN 44 HA GLN 44 -2.095 -23.488 6.632 372 HB2 GLN 44 HB2 GLN 44 -2.516 -23.324 3.667 373 HB3 GLN 44 HB1 GLN 44 -3.527 -24.427 4.598 374 HG2 GLN 44 HG2 GLN 44 -4.262 -22.601 6.039 375 HG3 GLN 44 HG1 GLN 44 -3.177 -21.479 5.226 376 HE21 GLN 44 HE21 GLN 44 -4.538 -20.116 4.023 377 HE22 GLN 44 HE22 GLN 44 -5.764 -20.663 2.983 378 H GLY 45 HN GLY 45 0.015 -24.837 4.185 379 HA2 GLY 45 HA2 GLY 45 -0.684 -27.576 4.675 380 HA3 GLY 45 HA1 GLY 45 0.722 -26.999 3.785 381 H LEU 46 HN LEU 46 1.782 -25.346 5.844 382 HA LEU 46 HA LEU 46 3.341 -27.235 7.221 383 HB2 LEU 46 HB2 LEU 46 3.881 -24.769 6.636 384 HB3 LEU 46 HB1 LEU 46 3.031 -24.368 8.126 385 HG LEU 46 HG LEU 46 5.157 -26.503 8.286 386 HD11 LEU 46 HD11 LEU 46 6.265 -24.781 6.944 387 HD12 LEU 46 HD12 LEU 46 6.907 -24.786 8.587 388 HD13 LEU 46 HD13 LEU 46 5.760 -23.542 8.094 389 HD21 LEU 46 HD21 LEU 46 4.334 -24.204 10.083 390 HD22 LEU 46 HD22 LEU 46 5.560 -25.403 10.469 391 HD23 LEU 46 HD23 LEU 46 3.877 -25.890 10.297 392 H MET 47 HN MET 47 0.513 -25.369 8.162 393 HA MET 47 HA MET 47 0.414 -25.638 10.872 394 HB2 MET 47 HB2 MET 47 -1.712 -25.793 8.752 395 HB3 MET 47 HB1 MET 47 -2.153 -26.059 10.435 396 HG2 MET 47 HG2 MET 47 -2.431 -23.693 9.816 397 HG3 MET 47 HG1 MET 47 -1.188 -23.880 11.047 398 HE1 MET 47 HE1 MET 47 -1.147 -21.373 10.065 399 HE2 MET 47 HE2 MET 47 -1.853 -21.567 8.463 400 HE3 MET 47 HE3 MET 47 -0.228 -20.905 8.628 401 H HIS 48 HN HIS 48 -0.152 -28.175 8.482 402 HA HIS 48 HA HIS 48 -1.175 -30.143 10.219 403 HB2 HIS 48 HB2 HIS 48 0.397 -30.312 7.645 404 HB3 HIS 48 HB1 HIS 48 -0.205 -31.743 8.484 405 HD2 HIS 48 HD2 HIS 48 -2.931 -32.238 8.128 406 HE1 HIS 48 HE1 HIS 48 -3.854 -28.685 6.042 407 HE2 HIS 48 HE2 HIS 48 -4.764 -30.928 6.809 408 H GLU 49 HN GLU 49 2.153 -29.316 9.303 409 HA GLU 49 HA GLU 49 3.307 -31.394 10.929 410 HB2 GLU 49 HB2 GLU 49 4.512 -28.991 9.547 411 HB3 GLU 49 HB1 GLU 49 5.453 -30.191 10.434 412 HG2 GLU 49 HG2 GLU 49 4.624 -31.965 8.965 413 HG3 GLU 49 HG1 GLU 49 3.618 -30.804 8.103 414 H LEU 50 HN LEU 50 2.530 -27.994 11.322 415 HA LEU 50 HA LEU 50 4.108 -27.376 13.527 416 HB2 LEU 50 HB2 LEU 50 2.373 -25.968 12.086 417 HB3 LEU 50 HB1 LEU 50 1.268 -26.388 13.387 418 HG LEU 50 HG LEU 50 2.290 -24.248 13.897 419 HD11 LEU 50 HD11 LEU 50 3.006 -24.692 16.095 420 HD12 LEU 50 HD12 LEU 50 3.758 -26.216 15.637 421 HD13 LEU 50 HD13 LEU 50 1.999 -26.084 15.693 422 HD21 LEU 50 HD21 LEU 50 5.061 -25.279 14.185 423 HD22 LEU 50 HD22 LEU 50 4.487 -23.732 13.568 424 HD23 LEU 50 HD23 LEU 50 4.497 -25.141 12.521 425 H MET 51 HN MET 51 0.874 -28.855 13.420 426 HA MET 51 HA MET 51 0.556 -29.074 16.220 427 HB2 MET 51 HB2 MET 51 -1.301 -29.281 14.608 428 HB3 MET 51 HB1 MET 51 -0.619 -30.802 14.035 429 HG2 MET 51 HG2 MET 51 -0.877 -31.798 16.251 430 HG3 MET 51 HG1 MET 51 -1.451 -30.262 16.898 431 HE1 MET 51 HE1 MET 51 -2.299 -33.561 15.397 432 HE2 MET 51 HE2 MET 51 -1.994 -32.686 13.899 433 HE3 MET 51 HE3 MET 51 -3.615 -33.277 14.251 434 H GLU 52 HN GLU 52 1.985 -31.223 13.801 435 HA GLU 52 HA GLU 52 2.320 -33.498 15.412 436 HB2 GLU 52 HB2 GLU 52 3.943 -32.468 13.078 437 HB3 GLU 52 HB1 GLU 52 4.147 -34.067 13.792 438 HG2 GLU 52 HG2 GLU 52 1.854 -34.658 13.266 439 HG3 GLU 52 HG1 GLU 52 1.524 -33.022 12.698 440 H LEU 53 HN LEU 53 4.606 -30.839 14.731 441 HA LEU 53 HA LEU 53 6.672 -31.806 16.399 442 HB2 LEU 53 HB2 LEU 53 5.989 -29.188 15.122 443 HB3 LEU 53 HB1 LEU 53 7.227 -29.185 16.372 444 HG LEU 53 HG LEU 53 8.104 -29.478 14.017 445 HD11 LEU 53 HD11 LEU 53 9.840 -30.819 14.719 446 HD12 LEU 53 HD12 LEU 53 8.784 -32.019 15.456 447 HD13 LEU 53 HD13 LEU 53 9.108 -30.501 16.287 448 HD21 LEU 53 HD21 LEU 53 7.042 -32.300 14.164 449 HD22 LEU 53 HD22 LEU 53 7.656 -31.421 12.768 450 HD23 LEU 53 HD23 LEU 53 6.087 -31.013 13.441 451 H ILE 54 HN ILE 54 4.010 -29.547 17.021 452 HA ILE 54 HA ILE 54 4.809 -28.887 19.643 453 HB ILE 54 HB ILE 54 2.117 -28.850 18.302 454 HG12 ILE 54 HG12 ILE 54 4.136 -27.301 17.650 455 HG13 ILE 54 HG11 ILE 54 2.547 -26.599 17.879 456 HG21 ILE 54 HG21 ILE 54 1.542 -29.000 20.578 457 HG22 ILE 54 HG22 ILE 54 1.581 -27.263 20.278 458 HG23 ILE 54 HG23 ILE 54 2.936 -28.047 21.090 459 HD11 ILE 54 HD11 ILE 54 3.111 -25.609 19.920 460 HD12 ILE 54 HD12 ILE 54 4.605 -25.448 18.999 461 HD13 ILE 54 HD13 ILE 54 4.449 -26.720 20.204 462 H ASP 55 HN ASP 55 2.674 -31.409 18.373 463 HA ASP 55 HA ASP 55 1.746 -32.398 20.814 464 HB2 ASP 55 HB2 ASP 55 0.928 -32.977 18.479 465 HB3 ASP 55 HB1 ASP 55 2.309 -34.065 18.360 466 H LEU 56 HN LEU 56 4.564 -33.331 18.863 467 HA LEU 56 HA LEU 56 5.437 -35.328 20.667 468 HB2 LEU 56 HB2 LEU 56 6.914 -33.793 18.530 469 HB3 LEU 56 HB1 LEU 56 7.594 -35.166 19.402 470 HG LEU 56 HG LEU 56 5.008 -35.264 17.821 471 HD11 LEU 56 HD11 LEU 56 6.278 -36.418 16.088 472 HD12 LEU 56 HD12 LEU 56 7.755 -36.287 17.043 473 HD13 LEU 56 HD13 LEU 56 6.995 -34.836 16.389 474 HD21 LEU 56 HD21 LEU 56 4.849 -37.069 19.286 475 HD22 LEU 56 HD22 LEU 56 6.596 -37.268 19.411 476 HD23 LEU 56 HD23 LEU 56 5.744 -37.824 17.973 477 H TYR 57 HN TYR 57 6.282 -31.932 20.236 478 HA TYR 57 HA TYR 57 8.364 -31.851 22.156 479 HB2 TYR 57 HB2 TYR 57 6.650 -29.808 20.773 480 HB3 TYR 57 HB1 TYR 57 7.633 -29.297 22.144 481 HD1 TYR 57 HD2 TYR 57 8.298 -31.820 19.427 482 HD2 TYR 57 HD1 TYR 57 9.481 -28.131 21.289 483 HE1 TYR 57 HE2 TYR 57 10.303 -31.733 17.982 484 HE2 TYR 57 HE1 TYR 57 11.488 -28.049 19.836 485 HH TYR 57 HH TYR 57 11.885 -30.139 17.133 486 H GLU 58 HN GLU 58 4.876 -31.409 22.366 487 HA GLU 58 HA GLU 58 4.788 -30.399 24.994 488 HB2 GLU 58 HB2 GLU 58 2.826 -31.825 23.231 489 HB3 GLU 58 HB1 GLU 58 2.419 -31.516 24.916 490 HG2 GLU 58 HG2 GLU 58 2.767 -29.127 24.611 491 HG3 GLU 58 HG1 GLU 58 3.324 -29.382 22.962 492 H GLU 59 HN GLU 59 4.819 -33.700 23.736 493 HA GLU 59 HA GLU 59 4.662 -34.814 26.433 494 HB2 GLU 59 HB2 GLU 59 3.562 -35.787 24.280 495 HB3 GLU 59 HB1 GLU 59 5.172 -36.418 23.932 496 HG2 GLU 59 HG2 GLU 59 4.063 -38.147 25.147 497 HG3 GLU 59 HG1 GLU 59 5.145 -37.378 26.308 498 H SER 60 HN SER 60 7.072 -33.774 24.231 499 HA SER 60 HA SER 60 9.134 -35.600 24.631 500 HB2 SER 60 HB2 SER 60 9.208 -32.613 24.204 501 HB3 SER 60 HB1 SER 60 10.652 -33.620 24.202 502 HG SER 60 HG SER 60 10.160 -33.976 22.197 503 H GLN 61 HN GLN 61 8.768 -32.498 26.386 504 HA GLN 61 HA GLN 61 10.315 -33.673 28.626 505 HB2 GLN 61 HB2 GLN 61 10.727 -31.277 27.196 506 HB3 GLN 61 HB1 GLN 61 10.079 -30.761 28.747 507 HG2 GLN 61 HG2 GLN 61 11.798 -32.122 29.905 508 HG3 GLN 61 HG1 GLN 61 12.457 -32.600 28.339 509 HE21 GLN 61 HE21 GLN 61 13.721 -31.066 27.174 510 HE22 GLN 61 HE22 GLN 61 14.148 -29.554 27.814 511 HA PRO 62 HA PRO 62 6.571 -31.796 30.704 512 HB2 PRO 62 HB2 PRO 62 4.844 -30.214 29.320 513 HB3 PRO 62 HB1 PRO 62 6.426 -29.627 29.868 514 HG2 PRO 62 HG2 PRO 62 5.530 -30.259 27.142 515 HG3 PRO 62 HG1 PRO 62 6.880 -29.254 27.673 516 HD2 PRO 62 HD2 PRO 62 6.979 -32.045 26.769 517 HD3 PRO 62 HD1 PRO 62 8.319 -30.962 27.189 518 H SER 63 HN SER 63 6.332 -34.224 30.091 519 HA SER 63 HA SER 63 3.879 -34.901 28.666 520 HB2 SER 63 HB2 SER 63 4.520 -37.207 29.093 521 HB3 SER 63 HB1 SER 63 5.921 -36.329 28.488 522 HG SER 63 HG SER 63 6.815 -36.375 30.448 523 H SER 64 HN SER 64 4.608 -33.693 31.639 524 HA SER 64 HA SER 64 2.985 -35.359 33.324 525 HB2 SER 64 HB2 SER 64 3.212 -33.454 34.944 526 HB3 SER 64 HB1 SER 64 4.747 -34.088 34.358 527 HG SER 64 HG SER 64 5.090 -32.281 33.298 528 H GLU 65 HN GLU 65 1.774 -34.254 30.849 529 HA GLU 65 HA GLU 65 -0.308 -33.554 30.174 530 HB2 GLU 65 HB2 GLU 65 -0.977 -34.904 32.251 531 HB3 GLU 65 HB1 GLU 65 -1.074 -33.359 33.089 532 HG2 GLU 65 HG2 GLU 65 -2.731 -32.547 31.487 533 HG3 GLU 65 HG1 GLU 65 -2.595 -34.041 30.563 534 H ARG 66 HN ARG 66 1.816 -31.780 31.970 535 HA ARG 66 HA ARG 66 0.421 -29.397 32.526 536 HB2 ARG 66 HB2 ARG 66 3.337 -29.968 31.988 537 HB3 ARG 66 HB1 ARG 66 2.746 -28.371 32.444 538 HG2 ARG 66 HG2 ARG 66 1.961 -30.745 34.128 539 HG3 ARG 66 HG1 ARG 66 3.580 -30.074 34.304 540 HD2 ARG 66 HD2 ARG 66 1.052 -28.412 34.503 541 HD3 ARG 66 HD1 ARG 66 1.893 -29.095 35.889 542 HE ARG 66 HE ARG 66 3.785 -27.682 34.404 543 HH11 ARG 66 HH21 ARG 66 0.837 -27.108 36.114 544 HH12 ARG 66 HH22 ARG 66 1.267 -25.500 36.594 545 HH21 ARG 66 HH11 ARG 66 4.360 -25.580 35.022 546 HH22 ARG 66 HH12 ARG 66 3.266 -24.634 35.976 547 H LEU 67 HN LEU 67 1.556 -30.762 29.592 548 HA LEU 67 HA LEU 67 2.062 -28.615 27.962 549 HB2 LEU 67 HB2 LEU 67 1.171 -29.977 26.106 550 HB3 LEU 67 HB1 LEU 67 2.233 -30.897 27.169 551 HG LEU 67 HG LEU 67 -0.232 -31.318 28.373 552 HD11 LEU 67 HD11 LEU 67 -1.803 -31.923 26.567 553 HD12 LEU 67 HD12 LEU 67 -0.677 -31.288 25.369 554 HD13 LEU 67 HD13 LEU 67 -1.432 -30.198 26.533 555 HD21 LEU 67 HD21 LEU 67 -0.150 -33.559 27.328 556 HD22 LEU 67 HD22 LEU 67 1.447 -33.050 27.878 557 HD23 LEU 67 HD23 LEU 67 1.038 -32.971 26.165 558 H ASN 68 HN ASN 68 -0.857 -29.384 29.572 559 HA ASN 68 HA ASN 68 -2.884 -28.447 27.990 560 HB2 ASN 68 HB2 ASN 68 -3.253 -29.302 30.257 561 HB3 ASN 68 HB1 ASN 68 -2.479 -27.872 30.936 562 HD21 ASN 68 HD21 ASN 68 -5.467 -29.073 30.648 563 HD22 ASN 68 HD22 ASN 68 -6.357 -27.657 30.356 564 H ALA 69 HN ALA 69 -0.403 -26.586 29.644 565 HA ALA 69 HA ALA 69 -1.538 -24.015 29.238 566 HB1 ALA 69 HB1 ALA 69 0.854 -23.239 29.540 567 HB2 ALA 69 HB2 ALA 69 1.313 -24.938 29.650 568 HB3 ALA 69 HB3 ALA 69 0.224 -24.239 30.849 569 H PHE 70 HN PHE 70 0.566 -26.088 27.307 570 HA PHE 70 HA PHE 70 0.883 -24.103 25.197 571 HB2 PHE 70 HB2 PHE 70 1.779 -26.974 25.518 572 HB3 PHE 70 HB1 PHE 70 2.041 -26.051 24.038 573 HD1 PHE 70 HD2 PHE 70 3.545 -24.116 23.999 574 HD2 PHE 70 HD1 PHE 70 2.953 -26.409 27.583 575 HE1 PHE 70 HE2 PHE 70 5.539 -23.045 25.014 576 HE2 PHE 70 HE1 PHE 70 4.947 -25.339 28.598 577 HZ PHE 70 HZ PHE 70 6.240 -23.657 27.314 578 H ARG 71 HN ARG 71 -1.322 -26.573 26.064 579 HA ARG 71 HA ARG 71 -2.228 -27.416 23.544 580 HB2 ARG 71 HB2 ARG 71 -2.883 -28.518 25.638 581 HB3 ARG 71 HB1 ARG 71 -3.827 -27.100 26.087 582 HG2 ARG 71 HG2 ARG 71 -5.268 -27.399 24.140 583 HG3 ARG 71 HG1 ARG 71 -4.283 -28.757 23.591 584 HD2 ARG 71 HD2 ARG 71 -5.713 -28.678 26.260 585 HD3 ARG 71 HD1 ARG 71 -6.374 -29.443 24.817 586 HE ARG 71 HE ARG 71 -3.844 -30.529 25.162 587 HH11 ARG 71 HH21 ARG 71 -6.786 -30.253 26.963 588 HH12 ARG 71 HH22 ARG 71 -6.577 -31.757 27.797 589 HH21 ARG 71 HH11 ARG 71 -3.565 -32.502 26.251 590 HH22 ARG 71 HH12 ARG 71 -4.754 -33.030 27.394 591 H GLU 72 HN GLU 72 -3.076 -24.614 25.535 592 HA GLU 72 HA GLU 72 -5.284 -23.618 24.251 593 HB2 GLU 72 HB2 GLU 72 -2.851 -22.113 25.235 594 HB3 GLU 72 HB1 GLU 72 -4.372 -21.343 24.784 595 HG2 GLU 72 HG2 GLU 72 -4.150 -23.531 26.860 596 HG3 GLU 72 HG1 GLU 72 -4.149 -21.812 27.253 597 H LEU 73 HN LEU 73 -1.895 -23.330 23.262 598 HA LEU 73 HA LEU 73 -2.420 -21.846 20.893 599 HB2 LEU 73 HB2 LEU 73 -0.186 -21.841 21.881 600 HB3 LEU 73 HB1 LEU 73 -0.051 -23.583 21.652 601 HG LEU 73 HG LEU 73 -0.144 -23.307 19.216 602 HD11 LEU 73 HD11 LEU 73 0.049 -20.801 18.427 603 HD12 LEU 73 HD12 LEU 73 -0.749 -20.450 19.955 604 HD13 LEU 73 HD13 LEU 73 -1.536 -21.483 18.765 605 HD21 LEU 73 HD21 LEU 73 1.996 -22.215 18.879 606 HD22 LEU 73 HD22 LEU 73 2.045 -23.065 20.425 607 HD23 LEU 73 HD23 LEU 73 1.822 -21.316 20.388 608 H ARG 74 HN ARG 74 -2.128 -25.275 21.644 609 HA ARG 74 HA ARG 74 -2.123 -26.292 19.026 610 HB2 ARG 74 HB2 ARG 74 -1.593 -27.636 21.045 611 HB3 ARG 74 HB1 ARG 74 -3.294 -27.575 21.504 612 HG2 ARG 74 HG2 ARG 74 -3.934 -28.707 19.453 613 HG3 ARG 74 HG1 ARG 74 -2.258 -28.716 18.904 614 HD2 ARG 74 HD2 ARG 74 -2.782 -30.892 19.849 615 HD3 ARG 74 HD1 ARG 74 -1.661 -30.060 20.924 616 HE ARG 74 HE ARG 74 -3.364 -29.893 22.519 617 HH11 ARG 74 HH21 ARG 74 -4.558 -30.965 19.452 618 HH12 ARG 74 HH22 ARG 74 -6.120 -31.406 20.056 619 HH21 ARG 74 HH11 ARG 74 -5.414 -30.467 23.320 620 HH22 ARG 74 HH12 ARG 74 -6.604 -31.125 22.247 621 H THR 75 HN THR 75 -4.713 -25.307 21.173 622 HA THR 75 HA THR 75 -6.885 -26.307 19.727 623 HB THR 75 HB THR 75 -6.706 -23.843 21.394 624 HG1 THR 75 HG1 THR 75 -6.239 -25.541 22.666 625 HG21 THR 75 HG21 THR 75 -9.047 -25.437 20.383 626 HG22 THR 75 HG22 THR 75 -8.686 -23.749 20.031 627 HG23 THR 75 HG23 THR 75 -9.170 -24.227 21.657 628 H GLN 76 HN GLN 76 -5.143 -23.235 19.499 629 HA GLN 76 HA GLN 76 -6.769 -22.030 17.537 630 HB2 GLN 76 HB2 GLN 76 -3.816 -21.697 18.126 631 HB3 GLN 76 HB1 GLN 76 -4.748 -20.635 17.070 632 HG2 GLN 76 HG2 GLN 76 -5.516 -21.180 19.946 633 HG3 GLN 76 HG1 GLN 76 -4.493 -19.827 19.468 634 HE21 GLN 76 HE21 GLN 76 -5.511 -17.990 18.541 635 HE22 GLN 76 HE22 GLN 76 -7.185 -17.885 18.280 636 H LEU 77 HN LEU 77 -3.737 -23.877 17.215 637 HA LEU 77 HA LEU 77 -3.695 -23.863 14.384 638 HB2 LEU 77 HB2 LEU 77 -2.366 -25.488 16.527 639 HB3 LEU 77 HB1 LEU 77 -2.234 -26.025 14.857 640 HG LEU 77 HG LEU 77 -0.351 -24.522 15.641 641 HD11 LEU 77 HD11 LEU 77 -1.753 -23.020 13.455 642 HD12 LEU 77 HD12 LEU 77 -1.382 -24.721 13.179 643 HD13 LEU 77 HD13 LEU 77 -0.089 -23.589 13.549 644 HD21 LEU 77 HD21 LEU 77 -2.359 -22.273 15.441 645 HD22 LEU 77 HD22 LEU 77 -0.728 -22.236 16.110 646 HD23 LEU 77 HD23 LEU 77 -2.015 -23.067 16.975 647 H GLU 78 HN GLU 78 -5.030 -26.117 16.749 648 HA GLU 78 HA GLU 78 -5.818 -28.118 14.924 649 HB2 GLU 78 HB2 GLU 78 -5.736 -28.425 17.383 650 HB3 GLU 78 HB1 GLU 78 -7.113 -27.336 17.550 651 HG2 GLU 78 HG2 GLU 78 -8.494 -28.844 16.189 652 HG3 GLU 78 HG1 GLU 78 -7.118 -29.922 15.968 653 H LYS 79 HN LYS 79 -7.520 -25.280 16.215 654 HA LYS 79 HA LYS 79 -9.950 -25.764 14.817 655 HB2 LYS 79 HB2 LYS 79 -9.736 -24.321 16.841 656 HB3 LYS 79 HB1 LYS 79 -8.877 -23.134 15.861 657 HG2 LYS 79 HG2 LYS 79 -10.823 -22.962 14.351 658 HG3 LYS 79 HG1 LYS 79 -11.690 -24.138 15.335 659 HD2 LYS 79 HD2 LYS 79 -10.589 -21.590 16.526 660 HD3 LYS 79 HD1 LYS 79 -12.178 -21.640 15.768 661 HE2 LYS 79 HE2 LYS 79 -12.759 -23.556 17.321 662 HE3 LYS 79 HE1 LYS 79 -11.247 -23.239 18.168 663 HZ1 LYS 79 HZ1 LYS 79 -13.270 -22.110 19.092 664 HZ2 LYS 79 HZ2 LYS 79 -13.280 -21.141 17.696 665 HZ3 LYS 79 HZ3 LYS 79 -11.954 -21.093 18.757 666 H ALA 80 HN ALA 80 -7.098 -23.764 14.199 667 HA ALA 80 HA ALA 80 -8.049 -22.565 11.832 668 HB1 ALA 80 HB1 ALA 80 -5.600 -22.170 11.358 669 HB2 ALA 80 HB2 ALA 80 -5.244 -23.085 12.821 670 HB3 ALA 80 HB3 ALA 80 -6.152 -21.577 12.926 671 H LEU 81 HN LEU 81 -6.812 -25.699 12.541 672 HA LEU 81 HA LEU 81 -5.826 -26.416 10.001 673 HB2 LEU 81 HB2 LEU 81 -5.818 -27.653 12.390 674 HB3 LEU 81 HB1 LEU 81 -7.191 -28.492 11.684 675 HG LEU 81 HG LEU 81 -5.204 -29.773 11.183 676 HD11 LEU 81 HD11 LEU 81 -5.758 -28.288 8.614 677 HD12 LEU 81 HD12 LEU 81 -6.994 -29.299 9.363 678 HD13 LEU 81 HD13 LEU 81 -5.464 -30.009 8.856 679 HD21 LEU 81 HD21 LEU 81 -3.175 -28.884 10.593 680 HD22 LEU 81 HD22 LEU 81 -3.824 -27.403 11.280 681 HD23 LEU 81 HD23 LEU 81 -3.881 -27.662 9.539 682 H GLY 82 HN GLY 82 -9.055 -26.563 11.432 683 HA2 GLY 82 HA2 GLY 82 -10.313 -27.949 9.309 684 HA3 GLY 82 HA1 GLY 82 -11.127 -26.926 10.490 685 H LEU 83 HN LEU 83 -8.639 -25.248 8.978 686 HA LEU 83 HA LEU 83 -8.570 -23.541 7.457 687 HB2 LEU 83 HB2 LEU 83 -10.771 -25.085 6.067 688 HB3 LEU 83 HB1 LEU 83 -9.703 -23.886 5.343 689 HG LEU 83 HG LEU 83 -8.790 -26.501 6.583 690 HD11 LEU 83 HD11 LEU 83 -8.467 -27.301 4.342 691 HD12 LEU 83 HD12 LEU 83 -8.829 -25.717 3.658 692 HD13 LEU 83 HD13 LEU 83 -10.109 -26.662 4.420 693 HD21 LEU 83 HD21 LEU 83 -6.672 -25.790 5.199 694 HD22 LEU 83 HD22 LEU 83 -6.950 -25.047 6.771 695 HD23 LEU 83 HD23 LEU 83 -7.365 -24.170 5.298 696 H GLU 84 HN GLU 84 -9.999 -22.997 9.726 697 HA GLU 84 HA GLU 84 -12.630 -22.045 9.269 698 HB2 GLU 84 HB2 GLU 84 -11.655 -22.479 11.526 699 HB3 GLU 84 HB1 GLU 84 -10.628 -21.060 11.316 700 HG2 GLU 84 HG2 GLU 84 -12.628 -19.642 11.050 701 HG3 GLU 84 HG1 GLU 84 -13.659 -21.057 11.249 702 H HIS 85 HN HIS 85 -13.391 -20.044 8.690 703 HA HIS 85 HA HIS 85 -13.383 -18.100 7.450 704 HB2 HIS 85 HB2 HIS 85 -12.655 -17.325 9.714 705 HB3 HIS 85 HB1 HIS 85 -10.979 -17.487 9.186 706 HD2 HIS 85 HD2 HIS 85 -14.157 -15.331 8.142 707 HE1 HIS 85 HE1 HIS 85 -10.660 -13.352 6.847 708 HE2 HIS 85 HE2 HIS 85 -13.188 -13.183 7.020 709 H HIS 86 HN HIS 86 -12.815 -19.068 5.448 710 HA HIS 86 HA HIS 86 -10.100 -19.428 4.632 711 HB2 HIS 86 HB2 HIS 86 -11.035 -19.807 2.412 712 HB3 HIS 86 HB1 HIS 86 -12.003 -20.655 3.617 713 HD2 HIS 86 HD2 HIS 86 -12.433 -17.875 0.953 714 HE1 HIS 86 HE1 HIS 86 -16.027 -18.033 3.165 715 HE2 HIS 86 HE2 HIS 86 -14.909 -17.060 1.102 716 H HIS 87 HN HIS 87 -8.837 -18.153 3.275 717 HA HIS 87 HA HIS 87 -9.135 -15.335 3.575 718 HB2 HIS 87 HB2 HIS 87 -7.119 -15.161 2.261 719 HB3 HIS 87 HB1 HIS 87 -6.943 -16.538 3.348 720 HD2 HIS 87 HD2 HIS 87 -7.547 -19.115 1.974 721 HE1 HIS 87 HE1 HIS 87 -6.551 -17.548 -1.818 722 HE2 HIS 87 HE2 HIS 87 -6.999 -19.681 -0.515 723 H HIS 88 HN HIS 88 -9.858 -13.796 2.177 724 HA HIS 88 HA HIS 88 -11.740 -14.529 0.186 725 HB2 HIS 88 HB2 HIS 88 -11.921 -12.418 1.397 726 HB3 HIS 88 HB1 HIS 88 -10.388 -11.872 0.716 727 HD2 HIS 88 HD2 HIS 88 -10.673 -10.559 -1.704 728 HE1 HIS 88 HE1 HIS 88 -14.580 -11.868 -2.625 729 HE2 HIS 88 HE2 HIS 88 -12.673 -10.367 -3.373 730 H HIS 89 HN HIS 89 -9.251 -12.203 -0.639 731 HA HIS 89 HA HIS 89 -8.148 -11.913 -2.650 732 HB2 HIS 89 HB2 HIS 89 -7.288 -14.668 -1.754 733 HB3 HIS 89 HB1 HIS 89 -6.503 -13.777 -3.059 734 HD2 HIS 89 HD2 HIS 89 -5.828 -14.231 0.547 735 HE1 HIS 89 HE1 HIS 89 -4.783 -10.199 -0.140 736 HE2 HIS 89 HE2 HIS 89 -4.593 -12.133 1.494 737 H HIS 90 HN HIS 90 -7.360 -13.605 -4.664 738 HA HIS 90 HA HIS 90 -9.654 -13.735 -6.286 739 HB2 HIS 90 HB2 HIS 90 -6.995 -15.156 -6.597 740 HB3 HIS 90 HB1 HIS 90 -8.228 -15.040 -7.851 741 HD2 HIS 90 HD2 HIS 90 -8.551 -11.679 -6.478 742 HE1 HIS 90 HE1 HIS 90 -5.139 -11.317 -8.940 743 HE2 HIS 90 HE2 HIS 90 -6.921 -10.025 -7.671 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -8.558 -11.616 10.141 2 H2 MET 1 HT2 MET 1 -8.671 -13.294 9.889 3 H3 MET 1 HT3 MET 1 -7.232 -12.469 9.516 4 HA MET 1 HA MET 1 -7.269 -11.818 12.008 5 HB2 MET 1 HB2 MET 1 -8.968 -14.331 11.882 6 HB3 MET 1 HB1 MET 1 -8.271 -13.664 13.358 7 HG2 MET 1 HG2 MET 1 -10.155 -12.154 11.524 8 HG3 MET 1 HG1 MET 1 -10.655 -12.975 13.001 9 HE1 MET 1 HE1 MET 1 -9.446 -10.952 15.871 10 HE2 MET 1 HE2 MET 1 -8.707 -12.440 15.287 11 HE3 MET 1 HE3 MET 1 -10.456 -12.247 15.214 12 H GLY 2 HN GLY 2 -5.121 -12.137 11.981 13 HA2 GLY 2 HA2 GLY 2 -3.928 -14.540 10.901 14 HA3 GLY 2 HA1 GLY 2 -3.076 -13.184 11.634 15 H VAL 3 HN VAL 3 -1.780 -14.268 13.061 16 HA VAL 3 HA VAL 3 -3.153 -15.746 15.242 17 HB VAL 3 HB VAL 3 -1.994 -17.380 13.867 18 HG11 VAL 3 HG11 VAL 3 0.333 -17.199 13.304 19 HG12 VAL 3 HG12 VAL 3 0.539 -15.796 14.351 20 HG13 VAL 3 HG13 VAL 3 -0.410 -15.659 12.873 21 HG21 VAL 3 HG21 VAL 3 -0.201 -16.843 16.244 22 HG22 VAL 3 HG22 VAL 3 -0.679 -18.400 15.566 23 HG23 VAL 3 HG23 VAL 3 -1.856 -17.421 16.441 24 H TRP 4 HN TRP 4 -2.682 -15.085 17.228 25 HA TRP 4 HA TRP 4 -0.517 -13.083 17.566 26 HB2 TRP 4 HB2 TRP 4 -2.908 -13.492 19.359 27 HB3 TRP 4 HB1 TRP 4 -1.806 -12.112 19.309 28 HD1 TRP 4 HD1 TRP 4 -4.927 -13.478 17.756 29 HE1 TRP 4 HE1 TRP 4 -5.774 -11.880 15.919 30 HE3 TRP 4 HE3 TRP 4 -0.907 -10.349 17.383 31 HZ2 TRP 4 HZ2 TRP 4 -4.867 -9.579 14.481 32 HZ3 TRP 4 HZ3 TRP 4 -0.925 -8.465 15.774 33 HH2 TRP 4 HH2 TRP 4 -2.898 -8.076 14.323 34 H THR 5 HN THR 5 1.219 -14.120 18.299 35 HA THR 5 HA THR 5 1.210 -15.220 20.915 36 HB THR 5 HB THR 5 2.005 -17.249 18.833 37 HG1 THR 5 HG1 THR 5 -0.403 -17.715 19.948 38 HG21 THR 5 HG21 THR 5 0.870 -17.650 21.599 39 HG22 THR 5 HG22 THR 5 2.591 -17.367 21.338 40 HG23 THR 5 HG23 THR 5 1.813 -18.785 20.633 41 HA PRO 6 HA PRO 6 5.261 -13.825 18.926 42 HB2 PRO 6 HB2 PRO 6 5.416 -11.259 19.800 43 HB3 PRO 6 HB1 PRO 6 4.546 -11.701 18.316 44 HG2 PRO 6 HG2 PRO 6 3.462 -11.139 21.033 45 HG3 PRO 6 HG1 PRO 6 2.848 -10.625 19.459 46 HD2 PRO 6 HD2 PRO 6 1.810 -12.759 20.862 47 HD3 PRO 6 HD1 PRO 6 1.758 -12.613 19.090 48 H GLU 7 HN GLU 7 7.163 -12.725 20.249 49 HA GLU 7 HA GLU 7 7.855 -14.277 22.417 50 HB2 GLU 7 HB2 GLU 7 8.660 -11.425 21.796 51 HB3 GLU 7 HB1 GLU 7 9.444 -12.433 23.013 52 HG2 GLU 7 HG2 GLU 7 10.036 -14.086 21.312 53 HG3 GLU 7 HG1 GLU 7 9.176 -13.160 20.083 54 H VAL 8 HN VAL 8 5.515 -11.775 22.325 55 HA VAL 8 HA VAL 8 5.629 -10.732 24.924 56 HB VAL 8 HB VAL 8 3.163 -11.301 23.263 57 HG11 VAL 8 HG11 VAL 8 2.547 -10.797 25.534 58 HG12 VAL 8 HG12 VAL 8 2.246 -9.357 24.562 59 HG13 VAL 8 HG13 VAL 8 3.674 -9.442 25.594 60 HG21 VAL 8 HG21 VAL 8 5.051 -9.911 22.204 61 HG22 VAL 8 HG22 VAL 8 4.707 -8.704 23.445 62 HG23 VAL 8 HG23 VAL 8 3.461 -9.151 22.279 63 H LEU 9 HN LEU 9 3.838 -13.547 23.662 64 HA LEU 9 HA LEU 9 2.748 -14.306 26.167 65 HB2 LEU 9 HB2 LEU 9 1.808 -15.157 24.069 66 HB3 LEU 9 HB1 LEU 9 3.318 -15.992 23.713 67 HG LEU 9 HG LEU 9 3.038 -17.404 25.704 68 HD11 LEU 9 HD11 LEU 9 0.637 -17.231 26.777 69 HD12 LEU 9 HD12 LEU 9 0.700 -15.569 26.190 70 HD13 LEU 9 HD13 LEU 9 1.917 -16.152 27.326 71 HD21 LEU 9 HD21 LEU 9 0.524 -17.290 24.012 72 HD22 LEU 9 HD22 LEU 9 1.079 -18.680 24.946 73 HD23 LEU 9 HD23 LEU 9 2.021 -18.109 23.568 74 H LYS 10 HN LYS 10 5.708 -15.172 24.437 75 HA LYS 10 HA LYS 10 6.614 -17.184 26.187 76 HB2 LYS 10 HB2 LYS 10 7.603 -16.809 23.973 77 HB3 LYS 10 HB1 LYS 10 8.209 -15.242 24.500 78 HG2 LYS 10 HG2 LYS 10 9.634 -16.286 26.158 79 HG3 LYS 10 HG1 LYS 10 8.957 -17.873 25.783 80 HD2 LYS 10 HD2 LYS 10 9.937 -17.905 23.623 81 HD3 LYS 10 HD1 LYS 10 10.285 -16.175 23.665 82 HE2 LYS 10 HE2 LYS 10 11.951 -16.462 25.337 83 HE3 LYS 10 HE1 LYS 10 11.498 -18.143 25.604 84 HZ1 LYS 10 HZ1 LYS 10 12.100 -17.714 22.880 85 HZ2 LYS 10 HZ2 LYS 10 12.842 -18.772 23.982 86 HZ3 LYS 10 HZ3 LYS 10 13.392 -17.170 23.835 87 H ALA 11 HN ALA 11 7.300 -13.690 26.116 88 HA ALA 11 HA ALA 11 8.960 -13.702 28.415 89 HB1 ALA 11 HB1 ALA 11 8.723 -11.285 28.369 90 HB2 ALA 11 HB2 ALA 11 7.315 -11.411 27.313 91 HB3 ALA 11 HB3 ALA 11 8.910 -11.872 26.716 92 H ARG 12 HN ARG 12 5.504 -13.064 27.922 93 HA ARG 12 HA ARG 12 4.944 -12.364 30.606 94 HB2 ARG 12 HB2 ARG 12 3.464 -11.916 28.598 95 HB3 ARG 12 HB1 ARG 12 3.039 -13.625 28.622 96 HG2 ARG 12 HG2 ARG 12 1.308 -12.726 29.905 97 HG3 ARG 12 HG1 ARG 12 2.463 -13.153 31.167 98 HD2 ARG 12 HD2 ARG 12 3.321 -10.838 31.169 99 HD3 ARG 12 HD1 ARG 12 2.195 -10.415 29.884 100 HE ARG 12 HE ARG 12 0.636 -11.438 31.925 101 HH11 ARG 12 HH21 ARG 12 2.951 -8.910 31.491 102 HH12 ARG 12 HH22 ARG 12 2.243 -7.864 32.677 103 HH21 ARG 12 HH11 ARG 12 -0.303 -10.078 33.487 104 HH22 ARG 12 HH12 ARG 12 0.397 -8.528 33.809 105 H ALA 13 HN ALA 13 4.675 -15.420 28.824 106 HA ALA 13 HA ALA 13 3.689 -16.947 31.003 107 HB1 ALA 13 HB1 ALA 13 5.137 -17.733 28.466 108 HB2 ALA 13 HB2 ALA 13 3.403 -17.806 28.779 109 HB3 ALA 13 HB3 ALA 13 4.497 -18.904 29.621 110 H SER 14 HN SER 14 6.935 -16.429 29.683 111 HA SER 14 HA SER 14 8.205 -18.074 31.677 112 HB2 SER 14 HB2 SER 14 9.172 -17.759 29.416 113 HB3 SER 14 HB1 SER 14 9.414 -16.051 29.773 114 HG SER 14 HG SER 14 11.136 -17.835 30.219 115 H VAL 15 HN VAL 15 7.105 -14.842 31.479 116 HA VAL 15 HA VAL 15 7.115 -13.103 32.976 117 HB VAL 15 HB VAL 15 8.539 -14.931 34.913 118 HG11 VAL 15 HG11 VAL 15 6.531 -12.726 35.396 119 HG12 VAL 15 HG12 VAL 15 8.273 -12.452 35.386 120 HG13 VAL 15 HG13 VAL 15 7.557 -13.530 36.585 121 HG21 VAL 15 HG21 VAL 15 6.652 -16.206 34.195 122 HG22 VAL 15 HG22 VAL 15 5.624 -14.774 34.120 123 HG23 VAL 15 HG23 VAL 15 6.138 -15.410 35.682 124 H ILE 16 HN ILE 16 10.136 -14.963 32.946 125 HA ILE 16 HA ILE 16 11.640 -12.437 32.626 126 HB ILE 16 HB ILE 16 12.362 -14.774 34.411 127 HG12 ILE 16 HG12 ILE 16 11.940 -11.849 35.084 128 HG13 ILE 16 HG11 ILE 16 10.678 -13.070 35.243 129 HG21 ILE 16 HG21 ILE 16 14.323 -13.206 34.966 130 HG22 ILE 16 HG22 ILE 16 13.911 -12.347 33.483 131 HG23 ILE 16 HG23 ILE 16 14.397 -14.041 33.414 132 HD11 ILE 16 HD11 ILE 16 11.898 -14.271 36.892 133 HD12 ILE 16 HD12 ILE 16 12.041 -12.575 37.351 134 HD13 ILE 16 HD13 ILE 16 13.383 -13.386 36.545 135 H GLY 17 HN GLY 17 13.700 -12.707 31.583 136 HA2 GLY 17 HA2 GLY 17 13.586 -14.337 29.289 137 HA3 GLY 17 HA1 GLY 17 15.010 -13.472 29.863 138 H LYS 18 HN LYS 18 14.393 -16.304 28.817 139 HA LYS 18 HA LYS 18 16.392 -17.647 30.333 140 HB2 LYS 18 HB2 LYS 18 14.510 -17.803 31.949 141 HB3 LYS 18 HB1 LYS 18 13.562 -18.646 30.723 142 HG2 LYS 18 HG2 LYS 18 15.036 -20.511 30.711 143 HG3 LYS 18 HG1 LYS 18 16.290 -19.626 31.579 144 HD2 LYS 18 HD2 LYS 18 15.075 -21.224 33.053 145 HD3 LYS 18 HD1 LYS 18 14.897 -19.553 33.589 146 HE2 LYS 18 HE2 LYS 18 12.758 -21.000 33.504 147 HE3 LYS 18 HE1 LYS 18 12.684 -19.402 32.760 148 HZ1 LYS 18 HZ1 LYS 18 11.748 -21.148 31.341 149 HZ2 LYS 18 HZ2 LYS 18 13.256 -21.930 31.310 150 HZ3 LYS 18 HZ3 LYS 18 13.082 -20.389 30.616 151 HA PRO 19 HA PRO 19 15.624 -18.999 25.941 152 HB2 PRO 19 HB2 PRO 19 18.571 -19.467 26.232 153 HB3 PRO 19 HB1 PRO 19 17.679 -18.690 24.907 154 HG2 PRO 19 HG2 PRO 19 19.101 -17.253 26.644 155 HG3 PRO 19 HG1 PRO 19 17.558 -16.661 26.001 156 HD2 PRO 19 HD2 PRO 19 18.159 -17.797 28.712 157 HD3 PRO 19 HD1 PRO 19 17.023 -16.507 28.255 158 H ILE 20 HN ILE 20 15.009 -21.033 25.522 159 HA ILE 20 HA ILE 20 15.765 -23.185 27.339 160 HB ILE 20 HB ILE 20 13.381 -22.764 26.547 161 HG12 ILE 20 HG12 ILE 20 14.411 -25.522 25.847 162 HG13 ILE 20 HG11 ILE 20 14.318 -24.953 27.514 163 HG21 ILE 20 HG21 ILE 20 14.194 -22.410 24.128 164 HG22 ILE 20 HG22 ILE 20 12.739 -23.380 24.347 165 HG23 ILE 20 HG23 ILE 20 14.285 -24.168 24.029 166 HD11 ILE 20 HD11 ILE 20 12.004 -25.199 25.563 167 HD12 ILE 20 HD12 ILE 20 11.887 -24.490 27.173 168 HD13 ILE 20 HD13 ILE 20 12.291 -26.195 26.991 169 H GLY 21 HN GLY 21 16.203 -25.378 26.318 170 HA2 GLY 21 HA2 GLY 21 18.624 -25.447 25.025 171 HA3 GLY 21 HA1 GLY 21 17.444 -26.752 24.934 172 H GLU 22 HN GLU 22 19.338 -25.473 22.938 173 HA GLU 22 HA GLU 22 18.012 -24.015 20.987 174 HB2 GLU 22 HB2 GLU 22 20.163 -26.116 20.612 175 HB3 GLU 22 HB1 GLU 22 19.688 -24.919 19.409 176 HG2 GLU 22 HG2 GLU 22 21.520 -23.873 20.410 177 HG3 GLU 22 HG1 GLU 22 20.180 -23.181 21.321 178 H SER 23 HN SER 23 18.297 -27.553 21.295 179 HA SER 23 HA SER 23 16.814 -28.196 18.981 180 HB2 SER 23 HB2 SER 23 16.548 -30.414 20.035 181 HB3 SER 23 HB1 SER 23 18.209 -29.841 20.126 182 HG SER 23 HG SER 23 18.036 -29.681 22.228 183 H TYR 24 HN TYR 24 15.851 -27.660 22.345 184 HA TYR 24 HA TYR 24 13.064 -28.234 21.803 185 HB2 TYR 24 HB2 TYR 24 14.496 -27.137 24.221 186 HB3 TYR 24 HB1 TYR 24 12.757 -27.424 24.164 187 HD1 TYR 24 HD1 TYR 24 11.888 -29.742 23.803 188 HD2 TYR 24 HD2 TYR 24 16.059 -28.936 24.440 189 HE1 TYR 24 HE1 TYR 24 12.270 -32.135 24.326 190 HE2 TYR 24 HE2 TYR 24 16.441 -31.329 24.963 191 HH TYR 24 HH TYR 24 13.899 -33.506 25.568 192 H LYS 25 HN LYS 25 15.112 -25.586 21.354 193 HA LYS 25 HA LYS 25 13.107 -23.523 21.779 194 HB2 LYS 25 HB2 LYS 25 15.521 -23.092 22.189 195 HB3 LYS 25 HB1 LYS 25 15.837 -23.348 20.474 196 HG2 LYS 25 HG2 LYS 25 14.454 -21.450 19.882 197 HG3 LYS 25 HG1 LYS 25 13.936 -21.249 21.556 198 HD2 LYS 25 HD2 LYS 25 16.284 -20.775 22.195 199 HD3 LYS 25 HD1 LYS 25 16.769 -20.951 20.508 200 HE2 LYS 25 HE2 LYS 25 15.262 -19.099 19.881 201 HE3 LYS 25 HE1 LYS 25 14.786 -18.921 21.570 202 HZ1 LYS 25 HZ1 LYS 25 16.784 -17.570 20.444 203 HZ2 LYS 25 HZ2 LYS 25 17.638 -18.899 21.067 204 HZ3 LYS 25 HZ3 LYS 25 16.707 -17.924 22.101 205 H ARG 26 HN ARG 26 13.701 -25.794 19.419 206 HA ARG 26 HA ARG 26 13.404 -24.395 17.015 207 HB2 ARG 26 HB2 ARG 26 14.041 -26.778 17.183 208 HB3 ARG 26 HB1 ARG 26 12.396 -27.163 17.685 209 HG2 ARG 26 HG2 ARG 26 11.504 -26.344 15.575 210 HG3 ARG 26 HG1 ARG 26 13.104 -25.796 15.075 211 HD2 ARG 26 HD2 ARG 26 12.408 -28.681 15.691 212 HD3 ARG 26 HD1 ARG 26 12.450 -27.996 14.069 213 HE ARG 26 HE ARG 26 14.911 -27.448 15.324 214 HH11 ARG 26 HH21 ARG 26 13.020 -30.098 14.144 215 HH12 ARG 26 HH22 ARG 26 14.392 -31.091 13.778 216 HH21 ARG 26 HH11 ARG 26 16.711 -28.747 14.850 217 HH22 ARG 26 HH12 ARG 26 16.481 -30.326 14.177 218 H ILE 27 HN ILE 27 10.996 -25.687 19.271 219 HA ILE 27 HA ILE 27 8.730 -25.148 17.713 220 HB ILE 27 HB ILE 27 8.626 -26.551 19.707 221 HG12 ILE 27 HG12 ILE 27 6.962 -24.060 20.164 222 HG13 ILE 27 HG11 ILE 27 6.616 -25.237 18.895 223 HG21 ILE 27 HG21 ILE 27 8.813 -24.097 21.442 224 HG22 ILE 27 HG22 ILE 27 10.284 -24.918 20.939 225 HG23 ILE 27 HG23 ILE 27 9.070 -25.784 21.875 226 HD11 ILE 27 HD11 ILE 27 6.934 -26.070 21.784 227 HD12 ILE 27 HD12 ILE 27 6.181 -26.964 20.466 228 HD13 ILE 27 HD13 ILE 27 5.380 -25.547 21.138 229 H LEU 28 HN LEU 28 10.303 -23.216 20.236 230 HA LEU 28 HA LEU 28 8.618 -20.951 19.995 231 HB2 LEU 28 HB2 LEU 28 11.319 -21.460 21.209 232 HB3 LEU 28 HB1 LEU 28 10.742 -19.803 21.071 233 HG LEU 28 HG LEU 28 9.139 -22.025 22.370 234 HD11 LEU 28 HD11 LEU 28 11.130 -21.771 23.684 235 HD12 LEU 28 HD12 LEU 28 9.848 -20.896 24.522 236 HD13 LEU 28 HD13 LEU 28 11.045 -20.012 23.578 237 HD21 LEU 28 HD21 LEU 28 8.753 -19.077 21.947 238 HD22 LEU 28 HD22 LEU 28 8.212 -19.752 23.482 239 HD23 LEU 28 HD23 LEU 28 7.565 -20.378 21.971 240 H ALA 29 HN ALA 29 11.652 -21.872 18.449 241 HA ALA 29 HA ALA 29 12.331 -19.484 17.205 242 HB1 ALA 29 HB1 ALA 29 13.604 -21.700 17.209 243 HB2 ALA 29 HB2 ALA 29 13.634 -20.780 15.703 244 HB3 ALA 29 HB3 ALA 29 12.567 -22.177 15.863 245 H LYS 30 HN LYS 30 9.954 -21.920 16.258 246 HA LYS 30 HA LYS 30 9.353 -20.707 13.737 247 HB2 LYS 30 HB2 LYS 30 7.831 -22.700 15.419 248 HB3 LYS 30 HB1 LYS 30 7.344 -22.201 13.798 249 HG2 LYS 30 HG2 LYS 30 9.620 -22.908 12.985 250 HG3 LYS 30 HG1 LYS 30 9.915 -23.590 14.581 251 HD2 LYS 30 HD2 LYS 30 7.549 -24.348 12.855 252 HD3 LYS 30 HD1 LYS 30 9.065 -25.242 12.860 253 HE2 LYS 30 HE2 LYS 30 8.772 -25.450 15.395 254 HE3 LYS 30 HE1 LYS 30 7.121 -24.884 15.148 255 HZ1 LYS 30 HZ1 LYS 30 8.351 -27.414 14.392 256 HZ2 LYS 30 HZ2 LYS 30 7.224 -26.760 13.301 257 HZ3 LYS 30 HZ3 LYS 30 6.767 -27.088 14.905 258 H LEU 31 HN LEU 31 8.501 -20.049 16.984 259 HA LEU 31 HA LEU 31 5.937 -18.970 16.694 260 HB2 LEU 31 HB2 LEU 31 7.311 -19.399 18.842 261 HB3 LEU 31 HB1 LEU 31 8.013 -17.811 18.550 262 HG LEU 31 HG LEU 31 5.680 -16.864 18.468 263 HD11 LEU 31 HD11 LEU 31 5.025 -19.748 18.948 264 HD12 LEU 31 HD12 LEU 31 4.125 -18.512 18.075 265 HD13 LEU 31 HD13 LEU 31 4.069 -18.557 19.832 266 HD21 LEU 31 HD21 LEU 31 6.785 -18.219 20.933 267 HD22 LEU 31 HD22 LEU 31 5.326 -17.234 21.016 268 HD23 LEU 31 HD23 LEU 31 6.846 -16.513 20.490 269 H GLN 32 HN GLN 32 9.131 -17.485 16.284 270 HA GLN 32 HA GLN 32 8.045 -14.895 15.637 271 HB2 GLN 32 HB2 GLN 32 10.315 -15.306 16.662 272 HB3 GLN 32 HB1 GLN 32 10.836 -15.922 15.095 273 HG2 GLN 32 HG2 GLN 32 11.457 -13.620 15.118 274 HG3 GLN 32 HG1 GLN 32 10.013 -13.706 14.112 275 HE21 GLN 32 HE21 GLN 32 10.912 -13.177 17.567 276 HE22 GLN 32 HE22 GLN 32 9.687 -12.037 17.856 277 H ARG 33 HN ARG 33 9.390 -17.627 13.819 278 HA ARG 33 HA ARG 33 9.385 -16.403 11.277 279 HB2 ARG 33 HB2 ARG 33 10.574 -18.530 11.818 280 HB3 ARG 33 HB1 ARG 33 9.010 -19.338 11.897 281 HG2 ARG 33 HG2 ARG 33 8.554 -18.681 9.551 282 HG3 ARG 33 HG1 ARG 33 10.142 -17.914 9.473 283 HD2 ARG 33 HD2 ARG 33 9.678 -20.843 10.094 284 HD3 ARG 33 HD1 ARG 33 10.123 -20.217 8.511 285 HE ARG 33 HE ARG 33 12.000 -19.270 10.374 286 HH11 ARG 33 HH21 ARG 33 10.883 -22.220 8.954 287 HH12 ARG 33 HH22 ARG 33 12.415 -23.019 9.072 288 HH21 ARG 33 HH11 ARG 33 14.014 -20.311 10.532 289 HH22 ARG 33 HH12 ARG 33 14.187 -21.940 9.966 290 H ILE 34 HN ILE 34 6.929 -18.263 13.023 291 HA ILE 34 HA ILE 34 5.050 -18.452 10.934 292 HB ILE 34 HB ILE 34 4.747 -18.435 13.940 293 HG12 ILE 34 HG12 ILE 34 5.885 -20.357 12.522 294 HG13 ILE 34 HG11 ILE 34 4.752 -20.768 13.805 295 HG21 ILE 34 HG21 ILE 34 2.436 -19.442 13.377 296 HG22 ILE 34 HG22 ILE 34 2.650 -18.703 11.789 297 HG23 ILE 34 HG23 ILE 34 2.626 -17.694 13.235 298 HD11 ILE 34 HD11 ILE 34 4.485 -21.902 11.471 299 HD12 ILE 34 HD12 ILE 34 3.766 -20.371 10.983 300 HD13 ILE 34 HD13 ILE 34 3.043 -21.309 12.288 301 H HIS 35 HN HIS 35 5.549 -15.989 13.439 302 HA HIS 35 HA HIS 35 3.315 -14.399 12.891 303 HB2 HIS 35 HB2 HIS 35 4.777 -14.045 14.831 304 HB3 HIS 35 HB1 HIS 35 6.083 -13.532 13.761 305 HD2 HIS 35 HD2 HIS 35 3.102 -11.976 15.585 306 HE1 HIS 35 HE1 HIS 35 4.274 -9.185 12.642 307 HE2 HIS 35 HE2 HIS 35 2.836 -9.530 14.706 308 H ASN 36 HN ASN 36 6.619 -14.170 11.550 309 HA ASN 36 HA ASN 36 5.982 -12.076 9.726 310 HB2 ASN 36 HB2 ASN 36 8.261 -14.053 9.850 311 HB3 ASN 36 HB1 ASN 36 8.157 -12.774 8.642 312 HD21 ASN 36 HD21 ASN 36 10.278 -12.823 10.563 313 HD22 ASN 36 HD22 ASN 36 10.079 -11.500 11.609 314 H SER 37 HN SER 37 6.191 -15.603 9.417 315 HA SER 37 HA SER 37 5.385 -15.509 6.608 316 HB2 SER 37 HB2 SER 37 5.989 -17.771 6.515 317 HB3 SER 37 HB1 SER 37 7.135 -17.119 7.678 318 HG SER 37 HG SER 37 6.217 -18.246 9.200 319 H ASN 38 HN ASN 38 3.671 -14.865 9.123 320 HA ASN 38 HA ASN 38 1.698 -16.697 9.606 321 HB2 ASN 38 HB2 ASN 38 1.843 -14.436 10.638 322 HB3 ASN 38 HB1 ASN 38 1.223 -13.744 9.138 323 HD21 ASN 38 HD21 ASN 38 -0.827 -13.050 9.964 324 HD22 ASN 38 HD22 ASN 38 -2.003 -14.137 10.529 325 H ILE 39 HN ILE 39 0.395 -17.820 8.354 326 HA ILE 39 HA ILE 39 -0.785 -18.518 6.508 327 HB ILE 39 HB ILE 39 -1.522 -15.606 6.251 328 HG12 ILE 39 HG12 ILE 39 -2.746 -17.707 8.021 329 HG13 ILE 39 HG11 ILE 39 -1.726 -16.398 8.600 330 HG21 ILE 39 HG21 ILE 39 -2.265 -17.181 4.457 331 HG22 ILE 39 HG22 ILE 39 -3.613 -16.514 5.376 332 HG23 ILE 39 HG23 ILE 39 -3.056 -18.157 5.695 333 HD11 ILE 39 HD11 ILE 39 -4.039 -15.733 8.879 334 HD12 ILE 39 HD12 ILE 39 -4.393 -16.129 7.197 335 HD13 ILE 39 HD13 ILE 39 -3.333 -14.773 7.580 336 H LEU 40 HN LEU 40 1.572 -18.676 5.628 337 HA LEU 40 HA LEU 40 1.760 -17.049 3.148 338 HB2 LEU 40 HB2 LEU 40 3.606 -16.652 4.809 339 HB3 LEU 40 HB1 LEU 40 4.042 -18.345 4.638 340 HG LEU 40 HG LEU 40 4.357 -17.997 2.191 341 HD11 LEU 40 HD11 LEU 40 3.457 -15.235 2.947 342 HD12 LEU 40 HD12 LEU 40 3.116 -16.173 1.493 343 HD13 LEU 40 HD13 LEU 40 4.680 -15.392 1.684 344 HD21 LEU 40 HD21 LEU 40 5.944 -16.219 4.070 345 HD22 LEU 40 HD22 LEU 40 6.454 -16.630 2.432 346 HD23 LEU 40 HD23 LEU 40 6.297 -17.896 3.650 347 H ASP 41 HN ASP 41 1.683 -18.127 1.293 348 HA ASP 41 HA ASP 41 0.853 -20.659 0.899 349 HB2 ASP 41 HB2 ASP 41 2.829 -19.096 -0.762 350 HB3 ASP 41 HB1 ASP 41 2.094 -20.606 -1.300 351 H GLU 42 HN GLU 42 4.227 -19.700 1.344 352 HA GLU 42 HA GLU 42 5.266 -22.340 1.032 353 HB2 GLU 42 HB2 GLU 42 6.611 -20.285 0.694 354 HB3 GLU 42 HB1 GLU 42 6.495 -19.950 2.421 355 HG2 GLU 42 HG2 GLU 42 7.627 -22.055 2.943 356 HG3 GLU 42 HG1 GLU 42 7.677 -22.475 1.231 357 H ARG 43 HN ARG 43 4.254 -20.376 3.797 358 HA ARG 43 HA ARG 43 5.123 -22.334 5.732 359 HB2 ARG 43 HB2 ARG 43 4.989 -19.811 6.100 360 HB3 ARG 43 HB1 ARG 43 3.250 -20.019 6.226 361 HG2 ARG 43 HG2 ARG 43 3.999 -20.120 8.464 362 HG3 ARG 43 HG1 ARG 43 3.773 -21.806 8.018 363 HD2 ARG 43 HD2 ARG 43 5.967 -21.157 9.230 364 HD3 ARG 43 HD1 ARG 43 6.095 -22.191 7.813 365 HE ARG 43 HE ARG 43 6.330 -19.330 7.331 366 HH11 ARG 43 HH21 ARG 43 7.894 -22.356 7.911 367 HH12 ARG 43 HH22 ARG 43 9.400 -21.861 7.216 368 HH21 ARG 43 HH11 ARG 43 8.283 -18.675 6.412 369 HH22 ARG 43 HH12 ARG 43 9.621 -19.774 6.366 370 H GLN 44 HN GLN 44 2.286 -21.792 3.849 371 HA GLN 44 HA GLN 44 0.238 -22.758 5.423 372 HB2 GLN 44 HB2 GLN 44 0.805 -23.070 2.480 373 HB3 GLN 44 HB1 GLN 44 -0.644 -23.765 3.206 374 HG2 GLN 44 HG2 GLN 44 -1.250 -21.522 4.085 375 HG3 GLN 44 HG1 GLN 44 0.158 -20.843 3.278 376 HE21 GLN 44 HE21 GLN 44 -0.538 -23.080 1.099 377 HE22 GLN 44 HE22 GLN 44 -1.703 -22.286 0.153 378 H GLY 45 HN GLY 45 2.617 -24.641 3.566 379 HA2 GLY 45 HA2 GLY 45 1.559 -27.187 4.256 380 HA3 GLY 45 HA1 GLY 45 3.183 -26.870 3.648 381 H LEU 46 HN LEU 46 3.882 -25.014 5.744 382 HA LEU 46 HA LEU 46 4.949 -26.820 7.612 383 HB2 LEU 46 HB2 LEU 46 5.597 -24.308 6.903 384 HB3 LEU 46 HB1 LEU 46 4.668 -23.931 8.348 385 HG LEU 46 HG LEU 46 6.994 -24.170 8.979 386 HD11 LEU 46 HD11 LEU 46 6.732 -25.645 10.782 387 HD12 LEU 46 HD12 LEU 46 5.732 -26.762 9.853 388 HD13 LEU 46 HD13 LEU 46 5.072 -25.212 10.373 389 HD21 LEU 46 HD21 LEU 46 7.201 -25.991 6.907 390 HD22 LEU 46 HD22 LEU 46 7.246 -27.053 8.313 391 HD23 LEU 46 HD23 LEU 46 8.416 -25.746 8.157 392 H MET 47 HN MET 47 2.150 -24.676 7.705 393 HA MET 47 HA MET 47 1.449 -24.837 10.378 394 HB2 MET 47 HB2 MET 47 -0.341 -24.784 7.940 395 HB3 MET 47 HB1 MET 47 -0.888 -24.488 9.589 396 HG2 MET 47 HG2 MET 47 0.829 -22.635 9.734 397 HG3 MET 47 HG1 MET 47 1.129 -22.869 8.017 398 HE1 MET 47 HE1 MET 47 0.190 -20.362 9.736 399 HE2 MET 47 HE2 MET 47 -1.015 -19.555 8.735 400 HE3 MET 47 HE3 MET 47 0.489 -20.119 8.010 401 H HIS 48 HN HIS 48 0.763 -27.128 7.757 402 HA HIS 48 HA HIS 48 -0.931 -28.860 9.172 403 HB2 HIS 48 HB2 HIS 48 -0.589 -28.955 6.726 404 HB3 HIS 48 HB1 HIS 48 1.049 -29.553 6.988 405 HD2 HIS 48 HD2 HIS 48 -2.619 -30.879 7.077 406 HE1 HIS 48 HE1 HIS 48 -0.081 -34.077 8.148 407 HE2 HIS 48 HE2 HIS 48 -2.466 -33.442 7.548 408 H GLU 49 HN GLU 49 2.607 -28.848 8.840 409 HA GLU 49 HA GLU 49 2.898 -31.160 10.562 410 HB2 GLU 49 HB2 GLU 49 4.913 -29.264 9.341 411 HB3 GLU 49 HB1 GLU 49 5.341 -30.672 10.313 412 HG2 GLU 49 HG2 GLU 49 3.629 -30.800 7.824 413 HG3 GLU 49 HG1 GLU 49 5.365 -31.105 7.834 414 H LEU 50 HN LEU 50 2.789 -27.726 10.911 415 HA LEU 50 HA LEU 50 4.317 -27.389 13.237 416 HB2 LEU 50 HB2 LEU 50 3.212 -25.621 11.679 417 HB3 LEU 50 HB1 LEU 50 1.791 -25.832 12.697 418 HG LEU 50 HG LEU 50 3.557 -25.490 14.668 419 HD11 LEU 50 HD11 LEU 50 4.828 -24.010 12.352 420 HD12 LEU 50 HD12 LEU 50 5.516 -25.413 13.161 421 HD13 LEU 50 HD13 LEU 50 5.321 -23.895 14.036 422 HD21 LEU 50 HD21 LEU 50 3.185 -22.921 14.325 423 HD22 LEU 50 HD22 LEU 50 1.789 -23.967 14.560 424 HD23 LEU 50 HD23 LEU 50 2.213 -23.421 12.937 425 H MET 51 HN MET 51 0.875 -28.130 12.821 426 HA MET 51 HA MET 51 0.184 -28.088 15.547 427 HB2 MET 51 HB2 MET 51 -1.699 -29.631 14.783 428 HB3 MET 51 HB1 MET 51 -1.583 -28.071 13.965 429 HG2 MET 51 HG2 MET 51 -0.695 -29.012 12.011 430 HG3 MET 51 HG1 MET 51 -0.170 -30.479 12.836 431 HE1 MET 51 HE1 MET 51 -0.955 -32.076 11.350 432 HE2 MET 51 HE2 MET 51 -1.706 -31.045 10.135 433 HE3 MET 51 HE3 MET 51 -2.612 -32.392 10.818 434 H GLU 52 HN GLU 52 1.879 -30.410 13.611 435 HA GLU 52 HA GLU 52 1.511 -32.621 15.449 436 HB2 GLU 52 HB2 GLU 52 1.921 -32.856 12.951 437 HB3 GLU 52 HB1 GLU 52 3.591 -32.390 13.274 438 HG2 GLU 52 HG2 GLU 52 3.560 -34.777 13.305 439 HG3 GLU 52 HG1 GLU 52 3.658 -34.265 14.988 440 H LEU 53 HN LEU 53 4.298 -30.624 14.442 441 HA LEU 53 HA LEU 53 6.077 -31.641 16.373 442 HB2 LEU 53 HB2 LEU 53 5.995 -29.192 14.646 443 HB3 LEU 53 HB1 LEU 53 7.164 -29.234 15.964 444 HG LEU 53 HG LEU 53 8.074 -31.354 15.110 445 HD11 LEU 53 HD11 LEU 53 6.116 -32.336 14.095 446 HD12 LEU 53 HD12 LEU 53 7.313 -32.104 12.820 447 HD13 LEU 53 HD13 LEU 53 5.964 -30.986 12.976 448 HD21 LEU 53 HD21 LEU 53 8.931 -29.144 14.286 449 HD22 LEU 53 HD22 LEU 53 7.846 -29.287 12.904 450 HD23 LEU 53 HD23 LEU 53 9.151 -30.453 13.125 451 H ILE 54 HN ILE 54 3.783 -28.944 16.486 452 HA ILE 54 HA ILE 54 4.650 -27.819 18.897 453 HB ILE 54 HB ILE 54 1.940 -27.915 17.589 454 HG12 ILE 54 HG12 ILE 54 4.035 -26.618 16.651 455 HG13 ILE 54 HG11 ILE 54 2.474 -25.819 16.719 456 HG21 ILE 54 HG21 ILE 54 1.492 -25.936 19.203 457 HG22 ILE 54 HG22 ILE 54 2.806 -26.614 20.167 458 HG23 ILE 54 HG23 ILE 54 1.365 -27.576 19.839 459 HD11 ILE 54 HD11 ILE 54 4.339 -25.568 19.055 460 HD12 ILE 54 HD12 ILE 54 3.079 -24.463 18.518 461 HD13 ILE 54 HD13 ILE 54 4.595 -24.571 17.623 462 H ASP 55 HN ASP 55 2.270 -30.396 18.289 463 HA ASP 55 HA ASP 55 1.563 -30.724 21.020 464 HB2 ASP 55 HB2 ASP 55 0.115 -31.467 19.183 465 HB3 ASP 55 HB1 ASP 55 1.327 -32.655 18.708 466 H LEU 56 HN LEU 56 3.819 -32.421 18.879 467 HA LEU 56 HA LEU 56 4.621 -34.355 20.760 468 HB2 LEU 56 HB2 LEU 56 5.666 -33.298 18.175 469 HB3 LEU 56 HB1 LEU 56 6.789 -34.225 19.159 470 HG LEU 56 HG LEU 56 5.451 -35.557 17.437 471 HD11 LEU 56 HD11 LEU 56 6.456 -36.380 19.782 472 HD12 LEU 56 HD12 LEU 56 5.477 -37.444 18.783 473 HD13 LEU 56 HD13 LEU 56 4.750 -36.624 20.163 474 HD21 LEU 56 HD21 LEU 56 3.294 -34.213 18.129 475 HD22 LEU 56 HD22 LEU 56 3.140 -35.448 19.369 476 HD23 LEU 56 HD23 LEU 56 3.163 -35.902 17.667 477 H TYR 57 HN TYR 57 5.985 -31.174 19.956 478 HA TYR 57 HA TYR 57 8.168 -31.399 21.786 479 HB2 TYR 57 HB2 TYR 57 6.893 -29.171 20.228 480 HB3 TYR 57 HB1 TYR 57 8.065 -28.779 21.483 481 HD1 TYR 57 HD1 TYR 57 7.770 -31.460 18.840 482 HD2 TYR 57 HD2 TYR 57 10.205 -28.412 20.643 483 HE1 TYR 57 HE1 TYR 57 9.625 -32.032 17.303 484 HE2 TYR 57 HE2 TYR 57 12.057 -28.988 19.107 485 HH TYR 57 HH TYR 57 12.811 -30.528 17.637 486 H GLU 58 HN GLU 58 4.955 -29.906 21.956 487 HA GLU 58 HA GLU 58 5.237 -28.773 24.516 488 HB2 GLU 58 HB2 GLU 58 2.835 -29.629 22.915 489 HB3 GLU 58 HB1 GLU 58 2.670 -28.955 24.536 490 HG2 GLU 58 HG2 GLU 58 4.248 -27.569 22.358 491 HG3 GLU 58 HG1 GLU 58 2.534 -27.268 22.625 492 H GLU 59 HN GLU 59 4.812 -32.016 23.506 493 HA GLU 59 HA GLU 59 3.812 -32.943 26.081 494 HB2 GLU 59 HB2 GLU 59 4.545 -34.280 23.479 495 HB3 GLU 59 HB1 GLU 59 4.229 -35.224 24.933 496 HG2 GLU 59 HG2 GLU 59 2.283 -33.130 23.956 497 HG3 GLU 59 HG1 GLU 59 2.237 -34.785 23.351 498 H SER 60 HN SER 60 6.846 -32.226 24.680 499 HA SER 60 HA SER 60 8.517 -34.203 25.711 500 HB2 SER 60 HB2 SER 60 9.036 -31.246 25.360 501 HB3 SER 60 HB1 SER 60 10.285 -32.454 25.635 502 HG SER 60 HG SER 60 9.909 -31.940 23.397 503 H GLN 61 HN GLN 61 8.038 -30.981 27.187 504 HA GLN 61 HA GLN 61 8.630 -32.174 29.840 505 HB2 GLN 61 HB2 GLN 61 8.883 -29.218 29.556 506 HB3 GLN 61 HB1 GLN 61 9.893 -30.369 30.431 507 HG2 GLN 61 HG2 GLN 61 10.754 -31.194 28.229 508 HG3 GLN 61 HG1 GLN 61 9.875 -29.876 27.448 509 HE21 GLN 61 HE21 GLN 61 12.861 -30.682 28.770 510 HE22 GLN 61 HE22 GLN 61 13.446 -29.114 29.055 511 HA PRO 62 HA PRO 62 4.818 -29.575 30.583 512 HB2 PRO 62 HB2 PRO 62 3.820 -27.962 28.634 513 HB3 PRO 62 HB1 PRO 62 5.266 -27.521 29.568 514 HG2 PRO 62 HG2 PRO 62 5.048 -28.395 26.759 515 HG3 PRO 62 HG1 PRO 62 6.330 -27.475 27.557 516 HD2 PRO 62 HD2 PRO 62 6.305 -30.338 26.978 517 HD3 PRO 62 HD1 PRO 62 7.592 -29.365 27.708 518 H SER 63 HN SER 63 4.168 -31.890 30.319 519 HA SER 63 HA SER 63 2.373 -32.588 28.156 520 HB2 SER 63 HB2 SER 63 3.094 -33.998 30.735 521 HB3 SER 63 HB1 SER 63 2.064 -34.680 29.478 522 HG SER 63 HG SER 63 3.874 -34.339 28.035 523 H SER 64 HN SER 64 2.162 -31.599 31.550 524 HA SER 64 HA SER 64 -0.799 -31.439 31.276 525 HB2 SER 64 HB2 SER 64 0.929 -32.052 33.672 526 HB3 SER 64 HB1 SER 64 -0.756 -31.563 33.816 527 HG SER 64 HG SER 64 0.211 -33.964 33.285 528 H GLU 65 HN GLU 65 1.681 -29.515 30.908 529 HA GLU 65 HA GLU 65 0.856 -27.351 32.718 530 HB2 GLU 65 HB2 GLU 65 3.154 -27.637 30.786 531 HB3 GLU 65 HB1 GLU 65 2.829 -26.171 31.704 532 HG2 GLU 65 HG2 GLU 65 3.045 -27.413 33.799 533 HG3 GLU 65 HG1 GLU 65 3.292 -28.912 32.906 534 H ARG 66 HN ARG 66 2.138 -26.670 29.565 535 HA ARG 66 HA ARG 66 -0.062 -24.913 28.982 536 HB2 ARG 66 HB2 ARG 66 2.404 -25.697 27.423 537 HB3 ARG 66 HB1 ARG 66 1.211 -24.535 26.837 538 HG2 ARG 66 HG2 ARG 66 1.559 -23.158 28.854 539 HG3 ARG 66 HG1 ARG 66 2.755 -24.315 29.437 540 HD2 ARG 66 HD2 ARG 66 2.970 -22.850 26.797 541 HD3 ARG 66 HD1 ARG 66 3.754 -22.317 28.281 542 HE ARG 66 HE ARG 66 4.527 -24.579 26.624 543 HH11 ARG 66 HH21 ARG 66 4.679 -22.999 29.698 544 HH12 ARG 66 HH22 ARG 66 6.142 -23.785 30.187 545 HH21 ARG 66 HH11 ARG 66 6.448 -25.616 27.258 546 HH22 ARG 66 HH12 ARG 66 7.144 -25.268 28.805 547 H LEU 67 HN LEU 67 0.611 -28.209 28.374 548 HA LEU 67 HA LEU 67 -0.452 -28.760 25.916 549 HB2 LEU 67 HB2 LEU 67 0.407 -30.426 27.658 550 HB3 LEU 67 HB1 LEU 67 -1.214 -30.376 28.346 551 HG LEU 67 HG LEU 67 -2.118 -30.976 26.061 552 HD11 LEU 67 HD11 LEU 67 -0.177 -32.230 24.700 553 HD12 LEU 67 HD12 LEU 67 0.818 -30.987 25.456 554 HD13 LEU 67 HD13 LEU 67 -0.544 -30.531 24.434 555 HD21 LEU 67 HD21 LEU 67 -1.684 -33.327 26.318 556 HD22 LEU 67 HD22 LEU 67 -1.710 -32.623 27.933 557 HD23 LEU 67 HD23 LEU 67 -0.172 -33.010 27.161 558 H ASN 68 HN ASN 68 -2.057 -27.315 28.566 559 HA ASN 68 HA ASN 68 -4.734 -28.029 27.687 560 HB2 ASN 68 HB2 ASN 68 -4.034 -27.598 30.105 561 HB3 ASN 68 HB1 ASN 68 -3.982 -25.888 29.679 562 HD21 ASN 68 HD21 ASN 68 -5.828 -25.477 31.129 563 HD22 ASN 68 HD22 ASN 68 -7.399 -25.924 30.668 564 H ALA 69 HN ALA 69 -2.686 -25.109 27.741 565 HA ALA 69 HA ALA 69 -4.635 -23.575 26.217 566 HB1 ALA 69 HB1 ALA 69 -2.919 -21.770 26.375 567 HB2 ALA 69 HB2 ALA 69 -1.854 -22.903 27.209 568 HB3 ALA 69 HB3 ALA 69 -3.382 -22.421 27.948 569 H PHE 70 HN PHE 70 -1.573 -25.213 25.673 570 HA PHE 70 HA PHE 70 -0.656 -24.192 23.324 571 HB2 PHE 70 HB2 PHE 70 0.573 -26.143 23.131 572 HB3 PHE 70 HB1 PHE 70 -0.010 -26.373 24.777 573 HD1 PHE 70 HD1 PHE 70 -2.695 -27.189 24.602 574 HD2 PHE 70 HD2 PHE 70 0.507 -28.180 21.928 575 HE1 PHE 70 HE1 PHE 70 -3.915 -29.234 23.909 576 HE2 PHE 70 HE2 PHE 70 -0.710 -30.227 21.227 577 HZ PHE 70 HZ PHE 70 -2.923 -30.753 22.220 578 H ARG 71 HN ARG 71 -3.630 -25.835 23.870 579 HA ARG 71 HA ARG 71 -4.183 -26.685 21.231 580 HB2 ARG 71 HB2 ARG 71 -5.397 -27.501 23.233 581 HB3 ARG 71 HB1 ARG 71 -6.146 -25.913 23.400 582 HG2 ARG 71 HG2 ARG 71 -7.123 -26.144 21.135 583 HG3 ARG 71 HG1 ARG 71 -6.393 -27.743 20.993 584 HD2 ARG 71 HD2 ARG 71 -7.663 -28.431 23.045 585 HD3 ARG 71 HD1 ARG 71 -8.483 -26.872 23.003 586 HE ARG 71 HE ARG 71 -8.918 -29.113 21.198 587 HH11 ARG 71 HH21 ARG 71 -9.267 -25.727 21.821 588 HH12 ARG 71 HH22 ARG 71 -10.584 -25.519 20.714 589 HH21 ARG 71 HH11 ARG 71 -10.640 -28.848 19.744 590 HH22 ARG 71 HH12 ARG 71 -11.361 -27.286 19.538 591 H GLU 72 HN GLU 72 -4.853 -23.702 23.007 592 HA GLU 72 HA GLU 72 -6.504 -22.399 21.207 593 HB2 GLU 72 HB2 GLU 72 -4.289 -21.290 22.943 594 HB3 GLU 72 HB1 GLU 72 -5.454 -20.286 22.083 595 HG2 GLU 72 HG2 GLU 72 -7.302 -21.348 23.282 596 HG3 GLU 72 HG1 GLU 72 -6.176 -22.431 24.099 597 H LEU 73 HN LEU 73 -2.947 -22.527 21.270 598 HA LEU 73 HA LEU 73 -2.545 -20.934 18.972 599 HB2 LEU 73 HB2 LEU 73 -0.707 -21.420 20.517 600 HB3 LEU 73 HB1 LEU 73 -0.818 -23.137 20.143 601 HG LEU 73 HG LEU 73 -0.211 -22.671 17.788 602 HD11 LEU 73 HD11 LEU 73 -0.992 -20.514 17.295 603 HD12 LEU 73 HD12 LEU 73 0.748 -20.263 17.421 604 HD13 LEU 73 HD13 LEU 73 -0.306 -19.819 18.766 605 HD21 LEU 73 HD21 LEU 73 1.519 -23.046 19.622 606 HD22 LEU 73 HD22 LEU 73 1.770 -21.301 19.616 607 HD23 LEU 73 HD23 LEU 73 2.108 -22.246 18.163 608 H ARG 74 HN ARG 74 -2.853 -24.446 19.418 609 HA ARG 74 HA ARG 74 -2.417 -25.134 16.715 610 HB2 ARG 74 HB2 ARG 74 -3.892 -26.569 18.926 611 HB3 ARG 74 HB1 ARG 74 -3.602 -27.270 17.335 612 HG2 ARG 74 HG2 ARG 74 -1.178 -26.992 17.635 613 HG3 ARG 74 HG1 ARG 74 -1.452 -26.259 19.217 614 HD2 ARG 74 HD2 ARG 74 -0.885 -28.610 19.514 615 HD3 ARG 74 HD1 ARG 74 -2.570 -28.354 19.959 616 HE ARG 74 HE ARG 74 -2.235 -29.135 17.200 617 HH11 ARG 74 HH21 ARG 74 -2.483 -30.193 20.484 618 HH12 ARG 74 HH22 ARG 74 -3.076 -31.769 20.077 619 HH21 ARG 74 HH11 ARG 74 -3.011 -31.201 16.657 620 HH22 ARG 74 HH12 ARG 74 -3.375 -32.339 17.912 621 H THR 75 HN THR 75 -5.275 -24.207 18.515 622 HA THR 75 HA THR 75 -7.214 -24.916 16.636 623 HB THR 75 HB THR 75 -7.361 -22.529 18.410 624 HG1 THR 75 HG1 THR 75 -8.261 -24.149 19.896 625 HG21 THR 75 HG21 THR 75 -9.693 -22.861 18.338 626 HG22 THR 75 HG22 THR 75 -9.510 -24.503 17.722 627 HG23 THR 75 HG23 THR 75 -9.164 -23.128 16.676 628 H GLN 76 HN GLN 76 -5.432 -21.881 17.078 629 HA GLN 76 HA GLN 76 -6.678 -20.418 15.041 630 HB2 GLN 76 HB2 GLN 76 -5.115 -19.482 16.759 631 HB3 GLN 76 HB1 GLN 76 -3.779 -20.239 15.894 632 HG2 GLN 76 HG2 GLN 76 -3.943 -17.930 15.187 633 HG3 GLN 76 HG1 GLN 76 -4.448 -18.954 13.847 634 HE21 GLN 76 HE21 GLN 76 -5.991 -17.575 12.848 635 HE22 GLN 76 HE22 GLN 76 -7.377 -16.999 13.640 636 H LEU 77 HN LEU 77 -3.720 -22.389 14.957 637 HA LEU 77 HA LEU 77 -3.247 -22.083 12.179 638 HB2 LEU 77 HB2 LEU 77 -2.317 -23.990 14.309 639 HB3 LEU 77 HB1 LEU 77 -1.943 -24.344 12.626 640 HG LEU 77 HG LEU 77 -0.160 -23.034 13.847 641 HD11 LEU 77 HD11 LEU 77 0.441 -21.909 11.931 642 HD12 LEU 77 HD12 LEU 77 -1.152 -21.190 11.704 643 HD13 LEU 77 HD13 LEU 77 -0.869 -22.866 11.249 644 HD21 LEU 77 HD21 LEU 77 -0.528 -20.793 14.517 645 HD22 LEU 77 HD22 LEU 77 -1.951 -21.653 15.086 646 HD23 LEU 77 HD23 LEU 77 -2.043 -20.684 13.623 647 H GLU 78 HN GLU 78 -5.014 -24.481 14.077 648 HA GLU 78 HA GLU 78 -5.562 -26.296 12.001 649 HB2 GLU 78 HB2 GLU 78 -5.924 -26.723 14.435 650 HB3 GLU 78 HB1 GLU 78 -7.316 -25.641 14.377 651 HG2 GLU 78 HG2 GLU 78 -8.359 -27.070 12.660 652 HG3 GLU 78 HG1 GLU 78 -6.964 -28.148 12.711 653 H LYS 79 HN LYS 79 -7.449 -23.531 13.231 654 HA LYS 79 HA LYS 79 -9.568 -23.796 11.363 655 HB2 LYS 79 HB2 LYS 79 -8.600 -21.451 12.998 656 HB3 LYS 79 HB1 LYS 79 -10.050 -21.400 11.995 657 HG2 LYS 79 HG2 LYS 79 -10.899 -23.407 13.253 658 HG3 LYS 79 HG1 LYS 79 -9.523 -23.247 14.340 659 HD2 LYS 79 HD2 LYS 79 -11.644 -21.136 13.842 660 HD3 LYS 79 HD1 LYS 79 -11.499 -22.132 15.289 661 HE2 LYS 79 HE2 LYS 79 -9.081 -21.155 15.436 662 HE3 LYS 79 HE1 LYS 79 -9.694 -19.918 14.340 663 HZ1 LYS 79 HZ1 LYS 79 -11.255 -20.596 16.728 664 HZ2 LYS 79 HZ2 LYS 79 -11.155 -19.124 15.884 665 HZ3 LYS 79 HZ3 LYS 79 -9.884 -19.614 16.901 666 H ALA 80 HN ALA 80 -6.577 -21.917 11.427 667 HA ALA 80 HA ALA 80 -7.018 -20.419 9.104 668 HB1 ALA 80 HB1 ALA 80 -4.375 -21.457 10.148 669 HB2 ALA 80 HB2 ALA 80 -5.160 -19.968 10.673 670 HB3 ALA 80 HB3 ALA 80 -4.590 -20.125 9.011 671 H LEU 81 HN LEU 81 -5.498 -23.597 9.553 672 HA LEU 81 HA LEU 81 -4.830 -24.012 6.835 673 HB2 LEU 81 HB2 LEU 81 -4.129 -25.308 9.022 674 HB3 LEU 81 HB1 LEU 81 -5.546 -26.294 8.669 675 HG LEU 81 HG LEU 81 -3.260 -25.764 6.741 676 HD11 LEU 81 HD11 LEU 81 -2.849 -28.252 7.131 677 HD12 LEU 81 HD12 LEU 81 -3.944 -28.125 8.507 678 HD13 LEU 81 HD13 LEU 81 -2.448 -27.192 8.482 679 HD21 LEU 81 HD21 LEU 81 -5.035 -26.235 5.320 680 HD22 LEU 81 HD22 LEU 81 -5.885 -27.218 6.512 681 HD23 LEU 81 HD23 LEU 81 -4.484 -27.871 5.660 682 H GLY 82 HN GLY 82 -7.687 -24.853 8.766 683 HA2 GLY 82 HA2 GLY 82 -9.065 -26.295 6.758 684 HA3 GLY 82 HA1 GLY 82 -9.807 -25.527 8.160 685 H LEU 83 HN LEU 83 -8.680 -22.886 7.395 686 HA LEU 83 HA LEU 83 -9.390 -21.005 6.282 687 HB2 LEU 83 HB2 LEU 83 -9.676 -23.017 4.033 688 HB3 LEU 83 HB1 LEU 83 -9.732 -21.270 3.826 689 HG LEU 83 HG LEU 83 -7.389 -22.670 5.133 690 HD11 LEU 83 HD11 LEU 83 -7.824 -21.995 2.213 691 HD12 LEU 83 HD12 LEU 83 -7.572 -23.597 2.904 692 HD13 LEU 83 HD13 LEU 83 -6.258 -22.419 2.905 693 HD21 LEU 83 HD21 LEU 83 -7.313 -20.333 5.598 694 HD22 LEU 83 HD22 LEU 83 -7.885 -19.909 3.988 695 HD23 LEU 83 HD23 LEU 83 -6.253 -20.532 4.207 696 H GLU 84 HN GLU 84 -11.383 -23.334 7.253 697 HA GLU 84 HA GLU 84 -13.813 -22.798 5.886 698 HB2 GLU 84 HB2 GLU 84 -13.311 -23.869 8.676 699 HB3 GLU 84 HB1 GLU 84 -14.876 -23.876 7.863 700 HG2 GLU 84 HG2 GLU 84 -12.378 -25.220 6.798 701 HG3 GLU 84 HG1 GLU 84 -13.676 -26.052 7.648 702 H HIS 85 HN HIS 85 -15.372 -21.305 6.221 703 HA HIS 85 HA HIS 85 -15.391 -19.635 8.596 704 HB2 HIS 85 HB2 HIS 85 -15.114 -17.527 7.401 705 HB3 HIS 85 HB1 HIS 85 -13.687 -18.537 7.166 706 HD2 HIS 85 HD2 HIS 85 -16.326 -16.744 5.032 707 HE1 HIS 85 HE1 HIS 85 -14.360 -19.451 2.456 708 HE2 HIS 85 HE2 HIS 85 -15.965 -17.484 2.554 709 H HIS 86 HN HIS 86 -16.919 -21.271 6.195 710 HA HIS 86 HA HIS 86 -19.106 -19.592 5.542 711 HB2 HIS 86 HB2 HIS 86 -18.806 -22.601 5.567 712 HB3 HIS 86 HB1 HIS 86 -20.239 -21.772 4.959 713 HD2 HIS 86 HD2 HIS 86 -19.916 -20.543 2.436 714 HE1 HIS 86 HE1 HIS 86 -15.864 -21.601 1.896 715 HE2 HIS 86 HE2 HIS 86 -17.905 -20.592 0.771 716 H HIS 87 HN HIS 87 -18.646 -22.031 8.095 717 HA HIS 87 HA HIS 87 -20.450 -20.670 9.852 718 HB2 HIS 87 HB2 HIS 87 -22.130 -21.729 8.422 719 HB3 HIS 87 HB1 HIS 87 -21.379 -23.304 8.683 720 HD2 HIS 87 HD2 HIS 87 -22.259 -20.636 11.505 721 HE1 HIS 87 HE1 HIS 87 -24.219 -24.271 12.379 722 HE2 HIS 87 HE2 HIS 87 -23.756 -21.919 13.216 723 H HIS 88 HN HIS 88 -20.188 -24.168 9.716 724 HA HIS 88 HA HIS 88 -19.369 -25.651 11.278 725 HB2 HIS 88 HB2 HIS 88 -17.022 -23.772 10.944 726 HB3 HIS 88 HB1 HIS 88 -16.933 -25.350 11.728 727 HD2 HIS 88 HD2 HIS 88 -16.794 -27.521 9.963 728 HE1 HIS 88 HE1 HIS 88 -17.360 -25.334 6.396 729 HE2 HIS 88 HE2 HIS 88 -16.794 -27.617 7.353 730 H HIS 89 HN HIS 89 -17.708 -25.481 13.399 731 HA HIS 89 HA HIS 89 -19.365 -24.539 15.459 732 HB2 HIS 89 HB2 HIS 89 -17.737 -26.345 15.753 733 HB3 HIS 89 HB1 HIS 89 -16.415 -25.199 15.537 734 HD2 HIS 89 HD2 HIS 89 -15.514 -24.286 17.966 735 HE1 HIS 89 HE1 HIS 89 -19.087 -24.746 20.166 736 HE2 HIS 89 HE2 HIS 89 -16.650 -24.044 20.305 737 H HIS 90 HN HIS 90 -16.394 -23.100 14.081 738 HA HIS 90 HA HIS 90 -17.289 -20.455 14.787 739 HB2 HIS 90 HB2 HIS 90 -16.439 -21.177 16.976 740 HB3 HIS 90 HB1 HIS 90 -14.889 -21.591 16.244 741 HD2 HIS 90 HD2 HIS 90 -13.125 -19.449 16.070 742 HE1 HIS 90 HE1 HIS 90 -15.892 -16.363 16.870 743 HE2 HIS 90 HE2 HIS 90 -13.439 -16.890 16.477 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -6.233 -12.620 12.143 2 H2 MET 1 HT2 MET 1 -6.158 -12.541 10.448 3 H3 MET 1 HT3 MET 1 -7.004 -11.353 11.320 4 HA MET 1 HA MET 1 -4.214 -11.522 10.695 5 HB2 MET 1 HB2 MET 1 -6.058 -9.373 11.787 6 HB3 MET 1 HB1 MET 1 -4.389 -9.092 11.291 7 HG2 MET 1 HG2 MET 1 -5.690 -8.514 9.389 8 HG3 MET 1 HG1 MET 1 -5.065 -10.124 9.030 9 HE1 MET 1 HE1 MET 1 -8.004 -8.131 8.407 10 HE2 MET 1 HE2 MET 1 -8.826 -9.513 7.688 11 HE3 MET 1 HE3 MET 1 -7.125 -9.223 7.329 12 H GLY 2 HN GLY 2 -6.165 -11.129 13.636 13 HA2 GLY 2 HA2 GLY 2 -3.790 -10.900 15.314 14 HA3 GLY 2 HA1 GLY 2 -5.467 -10.848 15.852 15 H VAL 3 HN VAL 3 -2.695 -12.817 15.371 16 HA VAL 3 HA VAL 3 -4.184 -15.176 16.399 17 HB VAL 3 HB VAL 3 -1.970 -15.098 14.337 18 HG11 VAL 3 HG11 VAL 3 -3.155 -17.364 15.952 19 HG12 VAL 3 HG12 VAL 3 -1.454 -16.954 15.735 20 HG13 VAL 3 HG13 VAL 3 -2.372 -17.642 14.395 21 HG21 VAL 3 HG21 VAL 3 -4.725 -16.344 14.187 22 HG22 VAL 3 HG22 VAL 3 -3.606 -16.030 12.861 23 HG23 VAL 3 HG23 VAL 3 -4.409 -14.686 13.674 24 H TRP 4 HN TRP 4 -3.395 -16.054 18.186 25 HA TRP 4 HA TRP 4 -1.001 -14.891 19.398 26 HB2 TRP 4 HB2 TRP 4 -2.879 -16.959 20.543 27 HB3 TRP 4 HB1 TRP 4 -1.734 -15.944 21.421 28 HD1 TRP 4 HD1 TRP 4 -5.256 -16.063 20.402 29 HE1 TRP 4 HE1 TRP 4 -6.384 -13.764 20.705 30 HE3 TRP 4 HE3 TRP 4 -1.127 -13.140 21.097 31 HZ2 TRP 4 HZ2 TRP 4 -5.633 -11.045 21.180 32 HZ3 TRP 4 HZ3 TRP 4 -1.361 -10.702 21.471 33 HH2 TRP 4 HH2 TRP 4 -3.606 -9.651 21.513 34 H THR 5 HN THR 5 0.858 -15.947 19.780 35 HA THR 5 HA THR 5 1.319 -18.675 19.899 36 HB THR 5 HB THR 5 2.560 -18.242 17.322 37 HG1 THR 5 HG1 THR 5 0.070 -18.253 16.533 38 HG21 THR 5 HG21 THR 5 1.933 -20.407 18.304 39 HG22 THR 5 HG22 THR 5 1.240 -20.192 16.696 40 HG23 THR 5 HG23 THR 5 0.228 -19.988 18.125 41 HA PRO 6 HA PRO 6 5.426 -16.109 18.795 42 HB2 PRO 6 HB2 PRO 6 4.149 -13.495 19.571 43 HB3 PRO 6 HB1 PRO 6 5.439 -13.806 18.387 44 HG2 PRO 6 HG2 PRO 6 2.979 -13.347 17.563 45 HG3 PRO 6 HG1 PRO 6 3.951 -14.616 16.796 46 HD2 PRO 6 HD2 PRO 6 1.704 -14.869 18.744 47 HD3 PRO 6 HD1 PRO 6 2.131 -15.913 17.368 48 H GLU 7 HN GLU 7 6.796 -14.785 20.446 49 HA GLU 7 HA GLU 7 6.857 -16.027 22.886 50 HB2 GLU 7 HB2 GLU 7 7.718 -13.216 22.182 51 HB3 GLU 7 HB1 GLU 7 8.116 -14.011 23.705 52 HG2 GLU 7 HG2 GLU 7 9.262 -15.808 22.509 53 HG3 GLU 7 HG1 GLU 7 8.806 -15.098 20.962 54 H VAL 8 HN VAL 8 4.605 -13.709 21.807 55 HA VAL 8 HA VAL 8 3.839 -12.467 24.210 56 HB VAL 8 HB VAL 8 1.727 -11.987 23.093 57 HG11 VAL 8 HG11 VAL 8 4.172 -11.914 21.308 58 HG12 VAL 8 HG12 VAL 8 3.561 -10.627 22.347 59 HG13 VAL 8 HG13 VAL 8 2.661 -11.098 20.905 60 HG21 VAL 8 HG21 VAL 8 1.430 -13.018 20.751 61 HG22 VAL 8 HG22 VAL 8 1.115 -14.074 22.126 62 HG23 VAL 8 HG23 VAL 8 2.636 -14.204 21.246 63 H LEU 9 HN LEU 9 3.036 -15.598 22.814 64 HA LEU 9 HA LEU 9 0.891 -16.248 24.503 65 HB2 LEU 9 HB2 LEU 9 1.409 -17.567 22.507 66 HB3 LEU 9 HB1 LEU 9 2.955 -18.053 23.201 67 HG LEU 9 HG LEU 9 1.798 -19.234 25.020 68 HD11 LEU 9 HD11 LEU 9 -0.176 -18.065 25.469 69 HD12 LEU 9 HD12 LEU 9 -0.803 -19.469 24.607 70 HD13 LEU 9 HD13 LEU 9 -0.611 -17.928 23.767 71 HD21 LEU 9 HD21 LEU 9 0.617 -19.936 22.320 72 HD22 LEU 9 HD22 LEU 9 0.781 -21.018 23.703 73 HD23 LEU 9 HD23 LEU 9 2.219 -20.417 22.878 74 H LYS 10 HN LYS 10 4.362 -16.985 24.787 75 HA LYS 10 HA LYS 10 4.163 -18.236 27.330 76 HB2 LYS 10 HB2 LYS 10 6.500 -16.930 25.929 77 HB3 LYS 10 HB1 LYS 10 6.635 -17.866 27.418 78 HG2 LYS 10 HG2 LYS 10 5.440 -19.757 26.121 79 HG3 LYS 10 HG1 LYS 10 5.810 -18.822 24.672 80 HD2 LYS 10 HD2 LYS 10 7.803 -19.887 26.691 81 HD3 LYS 10 HD1 LYS 10 7.582 -20.449 25.034 82 HE2 LYS 10 HE2 LYS 10 8.665 -17.788 25.968 83 HE3 LYS 10 HE1 LYS 10 9.452 -18.984 24.940 84 HZ1 LYS 10 HZ1 LYS 10 7.629 -18.580 23.306 85 HZ2 LYS 10 HZ2 LYS 10 8.674 -17.261 23.544 86 HZ3 LYS 10 HZ3 LYS 10 7.133 -17.269 24.260 87 H ALA 11 HN ALA 11 4.862 -14.937 26.276 88 HA ALA 11 HA ALA 11 5.662 -13.719 28.594 89 HB1 ALA 11 HB1 ALA 11 3.560 -12.542 26.764 90 HB2 ALA 11 HB2 ALA 11 5.274 -12.612 26.356 91 HB3 ALA 11 HB3 ALA 11 4.737 -11.671 27.748 92 H ARG 12 HN ARG 12 2.662 -15.257 27.981 93 HA ARG 12 HA ARG 12 1.039 -13.900 29.884 94 HB2 ARG 12 HB2 ARG 12 0.839 -16.757 28.891 95 HB3 ARG 12 HB1 ARG 12 -0.446 -15.835 29.670 96 HG2 ARG 12 HG2 ARG 12 0.887 -14.849 27.144 97 HG3 ARG 12 HG1 ARG 12 -0.479 -15.961 27.086 98 HD2 ARG 12 HD2 ARG 12 -1.785 -14.339 28.481 99 HD3 ARG 12 HD1 ARG 12 -0.446 -13.208 28.359 100 HE ARG 12 HE ARG 12 -2.291 -13.952 26.227 101 HH11 ARG 12 HH21 ARG 12 0.653 -12.418 27.211 102 HH12 ARG 12 HH22 ARG 12 0.757 -11.410 25.807 103 HH21 ARG 12 HH11 ARG 12 -2.161 -12.632 24.388 104 HH22 ARG 12 HH12 ARG 12 -0.834 -11.533 24.208 105 H ALA 13 HN ALA 13 2.589 -17.102 30.057 106 HA ALA 13 HA ALA 13 2.379 -17.041 32.984 107 HB1 ALA 13 HB1 ALA 13 3.340 -19.200 31.091 108 HB2 ALA 13 HB2 ALA 13 1.756 -19.114 31.861 109 HB3 ALA 13 HB3 ALA 13 3.198 -19.370 32.841 110 H SER 14 HN SER 14 4.812 -17.194 30.426 111 HA SER 14 HA SER 14 7.041 -17.226 32.232 112 HB2 SER 14 HB2 SER 14 7.114 -16.431 29.322 113 HB3 SER 14 HB1 SER 14 8.410 -17.123 30.294 114 HG SER 14 HG SER 14 6.021 -18.550 30.106 115 H VAL 15 HN VAL 15 4.847 -14.903 31.644 116 HA VAL 15 HA VAL 15 4.769 -12.647 32.033 117 HB VAL 15 HB VAL 15 7.599 -12.867 33.057 118 HG11 VAL 15 HG11 VAL 15 5.243 -11.079 33.713 119 HG12 VAL 15 HG12 VAL 15 6.711 -10.606 32.860 120 HG13 VAL 15 HG13 VAL 15 6.787 -11.058 34.564 121 HG21 VAL 15 HG21 VAL 15 6.471 -14.626 34.193 122 HG22 VAL 15 HG22 VAL 15 4.978 -13.696 34.319 123 HG23 VAL 15 HG23 VAL 15 6.380 -13.253 35.295 124 H ILE 16 HN ILE 16 8.209 -13.163 31.229 125 HA ILE 16 HA ILE 16 7.837 -11.432 28.846 126 HB ILE 16 HB ILE 16 8.993 -10.265 30.738 127 HG12 ILE 16 HG12 ILE 16 10.856 -10.837 28.419 128 HG13 ILE 16 HG11 ILE 16 9.419 -9.827 28.262 129 HG21 ILE 16 HG21 ILE 16 10.106 -12.427 31.531 130 HG22 ILE 16 HG22 ILE 16 11.137 -10.998 31.487 131 HG23 ILE 16 HG23 ILE 16 11.249 -12.206 30.208 132 HD11 ILE 16 HD11 ILE 16 10.279 -8.397 30.125 133 HD12 ILE 16 HD12 ILE 16 11.326 -8.391 28.707 134 HD13 ILE 16 HD13 ILE 16 11.762 -9.351 30.121 135 H GLY 17 HN GLY 17 8.644 -12.186 26.995 136 HA2 GLY 17 HA2 GLY 17 9.474 -14.875 26.746 137 HA3 GLY 17 HA1 GLY 17 9.579 -13.649 25.486 138 H LYS 18 HN LYS 18 11.492 -15.770 26.249 139 HA LYS 18 HA LYS 18 13.871 -14.242 26.029 140 HB2 LYS 18 HB2 LYS 18 13.109 -14.179 28.574 141 HB3 LYS 18 HB1 LYS 18 13.881 -15.762 28.617 142 HG2 LYS 18 HG2 LYS 18 15.165 -13.178 27.677 143 HG3 LYS 18 HG1 LYS 18 15.504 -14.008 29.196 144 HD2 LYS 18 HD2 LYS 18 16.134 -16.044 27.768 145 HD3 LYS 18 HD1 LYS 18 16.116 -14.948 26.387 146 HE2 LYS 18 HE2 LYS 18 17.716 -13.465 27.675 147 HE3 LYS 18 HE1 LYS 18 17.866 -14.775 28.845 148 HZ1 LYS 18 HZ1 LYS 18 18.713 -14.701 26.026 149 HZ2 LYS 18 HZ2 LYS 18 18.361 -16.190 26.764 150 HZ3 LYS 18 HZ3 LYS 18 19.586 -15.196 27.393 151 HA PRO 19 HA PRO 19 14.094 -18.669 24.751 152 HB2 PRO 19 HB2 PRO 19 14.634 -18.259 22.110 153 HB3 PRO 19 HB1 PRO 19 12.984 -18.266 22.765 154 HG2 PRO 19 HG2 PRO 19 14.691 -15.969 21.969 155 HG3 PRO 19 HG1 PRO 19 12.935 -16.158 21.866 156 HD2 PRO 19 HD2 PRO 19 14.300 -14.718 23.846 157 HD3 PRO 19 HD1 PRO 19 12.615 -15.271 23.963 158 H ILE 20 HN ILE 20 15.977 -19.558 25.363 159 HA ILE 20 HA ILE 20 18.496 -18.168 24.947 160 HB ILE 20 HB ILE 20 19.453 -20.009 26.274 161 HG12 ILE 20 HG12 ILE 20 16.586 -20.983 26.450 162 HG13 ILE 20 HG11 ILE 20 17.822 -21.720 25.431 163 HG21 ILE 20 HG21 ILE 20 16.932 -19.018 27.618 164 HG22 ILE 20 HG22 ILE 20 18.277 -17.934 27.265 165 HG23 ILE 20 HG23 ILE 20 18.514 -19.310 28.340 166 HD11 ILE 20 HD11 ILE 20 19.242 -21.970 27.533 167 HD12 ILE 20 HD12 ILE 20 17.806 -22.991 27.462 168 HD13 ILE 20 HD13 ILE 20 17.802 -21.531 28.451 169 H GLY 21 HN GLY 21 20.249 -18.941 23.773 170 HA2 GLY 21 HA2 GLY 21 19.724 -20.123 21.301 171 HA3 GLY 21 HA1 GLY 21 21.316 -20.017 22.041 172 H GLU 22 HN GLU 22 18.872 -22.098 21.036 173 HA GLU 22 HA GLU 22 20.277 -24.449 21.513 174 HB2 GLU 22 HB2 GLU 22 18.945 -23.476 23.890 175 HB3 GLU 22 HB1 GLU 22 18.151 -24.966 23.389 176 HG2 GLU 22 HG2 GLU 22 21.146 -24.650 23.729 177 HG3 GLU 22 HG1 GLU 22 20.069 -25.361 24.933 178 H SER 23 HN SER 23 18.337 -26.329 21.856 179 HA SER 23 HA SER 23 16.907 -26.145 19.352 180 HB2 SER 23 HB2 SER 23 17.934 -28.266 20.076 181 HB3 SER 23 HB1 SER 23 16.855 -28.307 21.468 182 HG SER 23 HG SER 23 15.932 -29.508 19.828 183 H TYR 24 HN TYR 24 16.271 -25.404 22.628 184 HA TYR 24 HA TYR 24 13.516 -25.940 22.802 185 HB2 TYR 24 HB2 TYR 24 14.811 -25.359 24.776 186 HB3 TYR 24 HB1 TYR 24 15.152 -23.758 24.119 187 HD1 TYR 24 HD2 TYR 24 12.523 -25.962 25.508 188 HD2 TYR 24 HD1 TYR 24 13.473 -22.014 24.104 189 HE1 TYR 24 HE2 TYR 24 10.400 -25.109 26.466 190 HE2 TYR 24 HE1 TYR 24 11.350 -21.162 25.062 191 HH TYR 24 HH TYR 24 9.183 -21.977 25.738 192 H LYS 25 HN LYS 25 15.251 -23.044 21.703 193 HA LYS 25 HA LYS 25 12.828 -21.622 21.094 194 HB2 LYS 25 HB2 LYS 25 14.265 -19.887 20.272 195 HB3 LYS 25 HB1 LYS 25 15.017 -20.541 21.725 196 HG2 LYS 25 HG2 LYS 25 16.442 -21.981 20.297 197 HG3 LYS 25 HG1 LYS 25 15.760 -21.225 18.863 198 HD2 LYS 25 HD2 LYS 25 16.511 -19.001 19.828 199 HD3 LYS 25 HD1 LYS 25 17.418 -19.925 21.025 200 HE2 LYS 25 HE2 LYS 25 17.731 -20.142 18.015 201 HE3 LYS 25 HE1 LYS 25 18.859 -19.348 19.113 202 HZ1 LYS 25 HZ1 LYS 25 19.573 -21.323 19.960 203 HZ2 LYS 25 HZ2 LYS 25 19.203 -21.819 18.378 204 HZ3 LYS 25 HZ3 LYS 25 18.116 -22.131 19.646 205 H ARG 26 HN ARG 26 14.030 -24.268 19.706 206 HA ARG 26 HA ARG 26 14.186 -23.634 16.966 207 HB2 ARG 26 HB2 ARG 26 15.045 -25.723 18.041 208 HB3 ARG 26 HB1 ARG 26 13.377 -26.267 18.211 209 HG2 ARG 26 HG2 ARG 26 14.506 -25.426 15.535 210 HG3 ARG 26 HG1 ARG 26 14.668 -27.077 16.124 211 HD2 ARG 26 HD2 ARG 26 11.970 -26.661 16.525 212 HD3 ARG 26 HD1 ARG 26 12.262 -25.680 15.094 213 HE ARG 26 HE ARG 26 12.317 -28.539 15.252 214 HH11 ARG 26 HH21 ARG 26 13.552 -25.725 13.661 215 HH12 ARG 26 HH22 ARG 26 13.871 -26.545 12.169 216 HH21 ARG 26 HH11 ARG 26 12.730 -29.615 13.312 217 HH22 ARG 26 HH12 ARG 26 13.404 -28.749 11.971 218 H ILE 27 HN ILE 27 11.539 -24.884 18.978 219 HA ILE 27 HA ILE 27 9.639 -24.984 16.886 220 HB ILE 27 HB ILE 27 7.967 -25.089 18.768 221 HG12 ILE 27 HG12 ILE 27 10.490 -24.895 20.445 222 HG13 ILE 27 HG11 ILE 27 9.237 -23.660 20.345 223 HG21 ILE 27 HG21 ILE 27 9.144 -27.095 17.827 224 HG22 ILE 27 HG22 ILE 27 8.702 -27.278 19.526 225 HG23 ILE 27 HG23 ILE 27 10.370 -26.913 19.084 226 HD11 ILE 27 HD11 ILE 27 7.582 -25.328 21.168 227 HD12 ILE 27 HD12 ILE 27 8.861 -24.983 22.333 228 HD13 ILE 27 HD13 ILE 27 8.903 -26.474 21.393 229 H LEU 28 HN LEU 28 10.479 -22.557 19.279 230 HA LEU 28 HA LEU 28 8.393 -20.743 18.704 231 HB2 LEU 28 HB2 LEU 28 11.087 -20.517 20.019 232 HB3 LEU 28 HB1 LEU 28 10.125 -19.070 19.729 233 HG LEU 28 HG LEU 28 8.802 -21.441 21.049 234 HD11 LEU 28 HD11 LEU 28 9.509 -20.607 23.256 235 HD12 LEU 28 HD12 LEU 28 10.537 -19.404 22.477 236 HD13 LEU 28 HD13 LEU 28 10.900 -21.120 22.301 237 HD21 LEU 28 HD21 LEU 28 8.515 -18.477 21.610 238 HD22 LEU 28 HD22 LEU 28 7.364 -19.763 21.961 239 HD23 LEU 28 HD23 LEU 28 7.641 -19.260 20.296 240 H ALA 29 HN ALA 29 11.592 -21.240 17.350 241 HA ALA 29 HA ALA 29 11.827 -18.879 15.866 242 HB1 ALA 29 HB1 ALA 29 13.283 -20.313 14.343 243 HB2 ALA 29 HB2 ALA 29 12.875 -21.669 15.395 244 HB3 ALA 29 HB3 ALA 29 13.742 -20.277 16.045 245 H LYS 30 HN LYS 30 9.995 -21.800 15.272 246 HA LYS 30 HA LYS 30 9.457 -21.405 12.526 247 HB2 LYS 30 HB2 LYS 30 7.805 -22.792 14.652 248 HB3 LYS 30 HB1 LYS 30 7.532 -22.923 12.917 249 HG2 LYS 30 HG2 LYS 30 10.183 -23.597 14.198 250 HG3 LYS 30 HG1 LYS 30 8.908 -24.795 13.984 251 HD2 LYS 30 HD2 LYS 30 8.922 -24.065 11.495 252 HD3 LYS 30 HD1 LYS 30 10.471 -23.315 11.864 253 HE2 LYS 30 HE2 LYS 30 11.083 -25.446 11.120 254 HE3 LYS 30 HE1 LYS 30 11.097 -25.625 12.875 255 HZ1 LYS 30 HZ1 LYS 30 8.542 -26.102 11.595 256 HZ2 LYS 30 HZ2 LYS 30 9.317 -26.967 12.836 257 HZ3 LYS 30 HZ3 LYS 30 9.752 -27.227 11.215 258 H LEU 31 HN LEU 31 7.863 -20.266 15.448 259 HA LEU 31 HA LEU 31 5.550 -19.201 14.259 260 HB2 LEU 31 HB2 LEU 31 7.086 -18.558 16.769 261 HB3 LEU 31 HB1 LEU 31 5.688 -17.594 16.310 262 HG LEU 31 HG LEU 31 4.255 -19.537 16.332 263 HD11 LEU 31 HD11 LEU 31 6.853 -21.039 16.720 264 HD12 LEU 31 HD12 LEU 31 5.659 -21.251 15.439 265 HD13 LEU 31 HD13 LEU 31 5.285 -21.759 17.086 266 HD21 LEU 31 HD21 LEU 31 5.083 -18.396 18.536 267 HD22 LEU 31 HD22 LEU 31 5.965 -19.899 18.794 268 HD23 LEU 31 HD23 LEU 31 4.206 -19.919 18.653 269 H GLN 32 HN GLN 32 8.755 -17.794 14.807 270 HA GLN 32 HA GLN 32 8.180 -15.177 13.953 271 HB2 GLN 32 HB2 GLN 32 10.728 -16.802 13.869 272 HB3 GLN 32 HB1 GLN 32 10.656 -15.092 13.441 273 HG2 GLN 32 HG2 GLN 32 9.788 -14.546 15.666 274 HG3 GLN 32 HG1 GLN 32 9.777 -16.254 16.101 275 HE21 GLN 32 HE21 GLN 32 11.474 -16.515 17.574 276 HE22 GLN 32 HE22 GLN 32 13.052 -15.940 17.333 277 H ARG 33 HN ARG 33 9.327 -18.019 12.141 278 HA ARG 33 HA ARG 33 9.426 -16.666 9.624 279 HB2 ARG 33 HB2 ARG 33 10.713 -18.733 10.103 280 HB3 ARG 33 HB1 ARG 33 9.198 -19.633 10.181 281 HG2 ARG 33 HG2 ARG 33 8.691 -19.035 7.855 282 HG3 ARG 33 HG1 ARG 33 10.165 -18.069 7.769 283 HD2 ARG 33 HD2 ARG 33 10.128 -21.033 8.385 284 HD3 ARG 33 HD1 ARG 33 10.384 -20.371 6.773 285 HE ARG 33 HE ARG 33 12.234 -19.111 8.411 286 HH11 ARG 33 HH21 ARG 33 11.393 -22.336 7.484 287 HH12 ARG 33 HH22 ARG 33 13.009 -22.944 7.615 288 HH21 ARG 33 HH11 ARG 33 14.358 -19.900 8.583 289 HH22 ARG 33 HH12 ARG 33 14.689 -21.564 8.236 290 H ILE 34 HN ILE 34 7.053 -18.751 11.223 291 HA ILE 34 HA ILE 34 5.211 -18.813 9.058 292 HB ILE 34 HB ILE 34 4.854 -19.308 12.022 293 HG12 ILE 34 HG12 ILE 34 4.890 -21.258 9.702 294 HG13 ILE 34 HG11 ILE 34 6.336 -20.858 10.626 295 HG21 ILE 34 HG21 ILE 34 2.736 -20.496 11.188 296 HG22 ILE 34 HG22 ILE 34 2.942 -19.581 9.694 297 HG23 ILE 34 HG23 ILE 34 2.685 -18.733 11.218 298 HD11 ILE 34 HD11 ILE 34 5.369 -21.697 12.658 299 HD12 ILE 34 HD12 ILE 34 5.114 -22.920 11.418 300 HD13 ILE 34 HD13 ILE 34 3.785 -21.870 11.900 301 H HIS 35 HN HIS 35 5.920 -16.506 11.531 302 HA HIS 35 HA HIS 35 3.476 -15.150 11.729 303 HB2 HIS 35 HB2 HIS 35 5.411 -14.731 13.211 304 HB3 HIS 35 HB1 HIS 35 6.270 -13.990 11.861 305 HD2 HIS 35 HD2 HIS 35 5.654 -11.312 11.456 306 HE1 HIS 35 HE1 HIS 35 2.337 -11.112 14.060 307 HE2 HIS 35 HE2 HIS 35 3.880 -9.753 12.569 308 H ASN 36 HN ASN 36 6.232 -14.581 9.543 309 HA ASN 36 HA ASN 36 4.953 -12.466 8.108 310 HB2 ASN 36 HB2 ASN 36 6.791 -12.830 6.460 311 HB3 ASN 36 HB1 ASN 36 7.366 -12.619 8.113 312 HD21 ASN 36 HD21 ASN 36 8.907 -14.138 8.711 313 HD22 ASN 36 HD22 ASN 36 9.026 -15.708 8.080 314 H SER 37 HN SER 37 5.294 -15.951 7.601 315 HA SER 37 HA SER 37 3.710 -15.814 5.134 316 HB2 SER 37 HB2 SER 37 5.173 -18.090 6.488 317 HB3 SER 37 HB1 SER 37 4.213 -18.258 5.020 318 HG SER 37 HG SER 37 6.583 -16.782 5.453 319 H ASN 38 HN ASN 38 2.747 -15.428 8.043 320 HA ASN 38 HA ASN 38 1.207 -17.481 8.990 321 HB2 ASN 38 HB2 ASN 38 -0.284 -15.801 9.933 322 HB3 ASN 38 HB1 ASN 38 1.379 -15.225 10.027 323 HD21 ASN 38 HD21 ASN 38 -1.035 -13.521 9.952 324 HD22 ASN 38 HD22 ASN 38 -0.905 -12.569 8.553 325 H ILE 39 HN ILE 39 -0.263 -18.752 8.089 326 HA ILE 39 HA ILE 39 -1.947 -19.528 6.740 327 HB ILE 39 HB ILE 39 -2.741 -16.644 6.370 328 HG12 ILE 39 HG12 ILE 39 -3.375 -18.497 8.658 329 HG13 ILE 39 HG11 ILE 39 -2.333 -17.083 8.761 330 HG21 ILE 39 HG21 ILE 39 -4.442 -19.128 6.632 331 HG22 ILE 39 HG22 ILE 39 -3.860 -18.543 5.074 332 HG23 ILE 39 HG23 ILE 39 -4.935 -17.540 6.046 333 HD11 ILE 39 HD11 ILE 39 -4.313 -15.720 7.923 334 HD12 ILE 39 HD12 ILE 39 -4.480 -16.381 9.550 335 HD13 ILE 39 HD13 ILE 39 -5.304 -17.154 8.194 336 H LEU 40 HN LEU 40 0.282 -19.642 5.416 337 HA LEU 40 HA LEU 40 -0.230 -18.365 2.794 338 HB2 LEU 40 HB2 LEU 40 1.884 -17.634 3.919 339 HB3 LEU 40 HB1 LEU 40 2.436 -19.306 3.868 340 HG LEU 40 HG LEU 40 2.169 -19.276 1.392 341 HD11 LEU 40 HD11 LEU 40 0.610 -17.662 0.804 342 HD12 LEU 40 HD12 LEU 40 2.089 -16.761 0.502 343 HD13 LEU 40 HD13 LEU 40 1.190 -16.502 1.998 344 HD21 LEU 40 HD21 LEU 40 3.899 -16.981 2.316 345 HD22 LEU 40 HD22 LEU 40 4.179 -18.068 0.956 346 HD23 LEU 40 HD23 LEU 40 4.320 -18.669 2.609 347 H ASP 41 HN ASP 41 -0.738 -19.688 1.184 348 HA ASP 41 HA ASP 41 -1.205 -22.379 1.423 349 HB2 ASP 41 HB2 ASP 41 -1.114 -22.488 -1.045 350 HB3 ASP 41 HB1 ASP 41 -2.015 -21.084 -0.473 351 H GLU 42 HN GLU 42 1.817 -20.805 0.675 352 HA GLU 42 HA GLU 42 3.213 -23.159 -0.116 353 HB2 GLU 42 HB2 GLU 42 4.114 -20.449 0.836 354 HB3 GLU 42 HB1 GLU 42 5.244 -21.714 0.353 355 HG2 GLU 42 HG2 GLU 42 4.242 -21.808 -1.870 356 HG3 GLU 42 HG1 GLU 42 3.022 -20.627 -1.400 357 H ARG 43 HN ARG 43 3.405 -21.224 2.867 358 HA ARG 43 HA ARG 43 4.861 -23.285 4.258 359 HB2 ARG 43 HB2 ARG 43 3.640 -20.705 5.262 360 HB3 ARG 43 HB1 ARG 43 4.696 -21.762 6.196 361 HG2 ARG 43 HG2 ARG 43 5.471 -20.501 3.548 362 HG3 ARG 43 HG1 ARG 43 5.914 -19.848 5.121 363 HD2 ARG 43 HD2 ARG 43 6.870 -22.267 5.547 364 HD3 ARG 43 HD1 ARG 43 6.868 -22.363 3.787 365 HE ARG 43 HE ARG 43 8.120 -19.979 4.855 366 HH11 ARG 43 HH21 ARG 43 8.445 -23.286 3.884 367 HH12 ARG 43 HH22 ARG 43 10.144 -23.172 3.569 368 HH21 ARG 43 HH11 ARG 43 10.350 -19.823 4.449 369 HH22 ARG 43 HH12 ARG 43 11.222 -21.211 3.891 370 H GLN 44 HN GLN 44 1.604 -22.714 3.625 371 HA GLN 44 HA GLN 44 0.203 -23.369 5.860 372 HB2 GLN 44 HB2 GLN 44 -0.180 -23.773 2.967 373 HB3 GLN 44 HB1 GLN 44 -1.069 -24.946 3.932 374 HG2 GLN 44 HG2 GLN 44 -1.182 -21.958 4.409 375 HG3 GLN 44 HG1 GLN 44 -2.355 -22.838 3.429 376 HE21 GLN 44 HE21 GLN 44 -1.912 -21.661 6.510 377 HE22 GLN 44 HE22 GLN 44 -2.886 -22.754 7.367 378 H GLY 45 HN GLY 45 2.139 -25.544 3.889 379 HA2 GLY 45 HA2 GLY 45 1.327 -27.965 5.122 380 HA3 GLY 45 HA1 GLY 45 2.818 -27.721 4.212 381 H LEU 46 HN LEU 46 3.686 -25.501 5.908 382 HA LEU 46 HA LEU 46 5.221 -26.926 7.750 383 HB2 LEU 46 HB2 LEU 46 5.444 -24.445 6.761 384 HB3 LEU 46 HB1 LEU 46 4.601 -24.019 8.248 385 HG LEU 46 HG LEU 46 7.004 -23.901 8.647 386 HD11 LEU 46 HD11 LEU 46 5.357 -24.967 10.358 387 HD12 LEU 46 HD12 LEU 46 7.085 -25.173 10.632 388 HD13 LEU 46 HD13 LEU 46 6.142 -26.487 9.941 389 HD21 LEU 46 HD21 LEU 46 7.227 -25.935 6.785 390 HD22 LEU 46 HD22 LEU 46 7.503 -26.814 8.287 391 HD23 LEU 46 HD23 LEU 46 8.519 -25.436 7.873 392 H MET 47 HN MET 47 2.225 -25.103 8.142 393 HA MET 47 HA MET 47 2.037 -25.294 10.947 394 HB2 MET 47 HB2 MET 47 -0.004 -24.946 8.754 395 HB3 MET 47 HB1 MET 47 -0.482 -25.036 10.449 396 HG2 MET 47 HG2 MET 47 -0.177 -22.696 9.766 397 HG3 MET 47 HG1 MET 47 1.025 -23.152 10.974 398 HE1 MET 47 HE1 MET 47 2.082 -20.773 7.665 399 HE2 MET 47 HE2 MET 47 1.001 -20.729 9.055 400 HE3 MET 47 HE3 MET 47 0.484 -21.527 7.572 401 H HIS 48 HN HIS 48 0.932 -27.436 8.349 402 HA HIS 48 HA HIS 48 -0.547 -29.230 9.935 403 HB2 HIS 48 HB2 HIS 48 0.990 -29.708 7.370 404 HB3 HIS 48 HB1 HIS 48 -0.169 -30.836 8.070 405 HD2 HIS 48 HD2 HIS 48 -2.893 -30.069 7.798 406 HE1 HIS 48 HE1 HIS 48 -2.149 -26.599 5.512 407 HE2 HIS 48 HE2 HIS 48 -3.958 -28.163 6.364 408 H GLU 49 HN GLU 49 2.837 -29.432 8.812 409 HA GLU 49 HA GLU 49 3.414 -31.798 10.290 410 HB2 GLU 49 HB2 GLU 49 5.221 -29.707 9.065 411 HB3 GLU 49 HB1 GLU 49 5.796 -31.212 9.783 412 HG2 GLU 49 HG2 GLU 49 3.763 -31.079 7.546 413 HG3 GLU 49 HG1 GLU 49 5.488 -31.332 7.288 414 H LEU 50 HN LEU 50 3.829 -28.357 10.906 415 HA LEU 50 HA LEU 50 5.382 -28.562 13.219 416 HB2 LEU 50 HB2 LEU 50 5.057 -26.463 12.023 417 HB3 LEU 50 HB1 LEU 50 3.361 -26.431 12.492 418 HG LEU 50 HG LEU 50 4.042 -26.349 14.864 419 HD11 LEU 50 HD11 LEU 50 6.611 -25.708 15.126 420 HD12 LEU 50 HD12 LEU 50 6.770 -26.643 13.639 421 HD13 LEU 50 HD13 LEU 50 6.107 -27.397 15.087 422 HD21 LEU 50 HD21 LEU 50 4.756 -24.066 14.890 423 HD22 LEU 50 HD22 LEU 50 3.752 -24.262 13.452 424 HD23 LEU 50 HD23 LEU 50 5.511 -24.221 13.305 425 H MET 51 HN MET 51 1.900 -28.655 12.701 426 HA MET 51 HA MET 51 0.959 -28.404 15.291 427 HB2 MET 51 HB2 MET 51 -0.475 -28.565 13.278 428 HB3 MET 51 HB1 MET 51 -0.092 -30.281 13.158 429 HG2 MET 51 HG2 MET 51 -1.041 -30.608 15.455 430 HG3 MET 51 HG1 MET 51 -1.504 -28.907 15.459 431 HE1 MET 51 HE1 MET 51 -4.363 -28.519 13.142 432 HE2 MET 51 HE2 MET 51 -2.689 -28.016 12.933 433 HE3 MET 51 HE3 MET 51 -3.433 -27.939 14.528 434 H GLU 52 HN GLU 52 1.997 -31.377 13.615 435 HA GLU 52 HA GLU 52 1.561 -33.101 15.825 436 HB2 GLU 52 HB2 GLU 52 3.251 -33.308 13.333 437 HB3 GLU 52 HB1 GLU 52 3.219 -34.596 14.537 438 HG2 GLU 52 HG2 GLU 52 1.565 -35.188 12.931 439 HG3 GLU 52 HG1 GLU 52 0.661 -34.542 14.299 440 H LEU 53 HN LEU 53 4.414 -31.363 14.671 441 HA LEU 53 HA LEU 53 6.241 -32.422 16.545 442 HB2 LEU 53 HB2 LEU 53 6.221 -29.778 15.072 443 HB3 LEU 53 HB1 LEU 53 7.590 -30.386 16.005 444 HG LEU 53 HG LEU 53 6.298 -31.904 13.721 445 HD11 LEU 53 HD11 LEU 53 7.368 -29.781 12.965 446 HD12 LEU 53 HD12 LEU 53 8.199 -31.214 12.360 447 HD13 LEU 53 HD13 LEU 53 8.875 -30.310 13.714 448 HD21 LEU 53 HD21 LEU 53 7.425 -33.547 14.907 449 HD22 LEU 53 HD22 LEU 53 8.601 -32.423 15.585 450 HD23 LEU 53 HD23 LEU 53 8.757 -32.965 13.914 451 H ILE 54 HN ILE 54 4.074 -29.642 16.647 452 HA ILE 54 HA ILE 54 5.051 -28.513 19.019 453 HB ILE 54 HB ILE 54 2.397 -28.407 17.609 454 HG12 ILE 54 HG12 ILE 54 4.621 -27.139 16.958 455 HG13 ILE 54 HG11 ILE 54 3.086 -26.279 16.958 456 HG21 ILE 54 HG21 ILE 54 1.907 -26.511 19.322 457 HG22 ILE 54 HG22 ILE 54 3.105 -27.312 20.325 458 HG23 ILE 54 HG23 ILE 54 1.648 -28.176 19.848 459 HD11 ILE 54 HD11 ILE 54 3.542 -25.140 18.932 460 HD12 ILE 54 HD12 ILE 54 5.125 -25.171 18.157 461 HD13 ILE 54 HD13 ILE 54 4.752 -26.304 19.458 462 H ASP 55 HN ASP 55 2.437 -30.849 18.475 463 HA ASP 55 HA ASP 55 1.674 -31.086 21.176 464 HB2 ASP 55 HB2 ASP 55 0.231 -31.810 19.336 465 HB3 ASP 55 HB1 ASP 55 1.390 -33.067 18.907 466 H LEU 56 HN LEU 56 3.950 -32.895 19.169 467 HA LEU 56 HA LEU 56 4.555 -34.884 21.046 468 HB2 LEU 56 HB2 LEU 56 6.153 -33.720 18.765 469 HB3 LEU 56 HB1 LEU 56 6.702 -35.102 19.711 470 HG LEU 56 HG LEU 56 3.984 -35.039 18.380 471 HD11 LEU 56 HD11 LEU 56 6.659 -35.911 17.269 472 HD12 LEU 56 HD12 LEU 56 5.494 -34.801 16.548 473 HD13 LEU 56 HD13 LEU 56 5.132 -36.525 16.636 474 HD21 LEU 56 HD21 LEU 56 4.000 -36.797 19.942 475 HD22 LEU 56 HD22 LEU 56 5.708 -37.148 19.692 476 HD23 LEU 56 HD23 LEU 56 4.525 -37.610 18.472 477 H TYR 57 HN TYR 57 5.993 -31.723 20.465 478 HA TYR 57 HA TYR 57 8.036 -32.077 22.464 479 HB2 TYR 57 HB2 TYR 57 8.241 -30.598 20.432 480 HB3 TYR 57 HB1 TYR 57 7.106 -29.493 21.209 481 HD1 TYR 57 HD2 TYR 57 10.440 -31.093 21.512 482 HD2 TYR 57 HD1 TYR 57 7.776 -28.089 23.038 483 HE1 TYR 57 HE2 TYR 57 12.297 -30.121 22.839 484 HE2 TYR 57 HE1 TYR 57 9.634 -27.117 24.365 485 HH TYR 57 HH TYR 57 12.853 -28.634 24.405 486 H GLU 58 HN GLU 58 5.211 -29.919 22.225 487 HA GLU 58 HA GLU 58 5.329 -28.888 24.802 488 HB2 GLU 58 HB2 GLU 58 2.976 -29.333 22.968 489 HB3 GLU 58 HB1 GLU 58 2.837 -28.501 24.515 490 HG2 GLU 58 HG2 GLU 58 4.774 -27.684 22.331 491 HG3 GLU 58 HG1 GLU 58 3.185 -26.958 22.566 492 H GLU 59 HN GLU 59 4.452 -32.017 23.768 493 HA GLU 59 HA GLU 59 2.931 -32.649 26.173 494 HB2 GLU 59 HB2 GLU 59 2.222 -33.682 24.110 495 HB3 GLU 59 HB1 GLU 59 3.832 -34.353 23.844 496 HG2 GLU 59 HG2 GLU 59 3.624 -35.806 25.737 497 HG3 GLU 59 HG1 GLU 59 2.168 -34.981 26.286 498 H SER 60 HN SER 60 6.184 -32.570 25.233 499 HA SER 60 HA SER 60 7.026 -34.707 27.042 500 HB2 SER 60 HB2 SER 60 8.524 -32.866 25.181 501 HB3 SER 60 HB1 SER 60 9.314 -34.037 26.235 502 HG SER 60 HG SER 60 7.411 -34.537 24.187 503 H GLN 61 HN GLN 61 7.251 -31.205 26.800 504 HA GLN 61 HA GLN 61 8.969 -30.806 28.988 505 HB2 GLN 61 HB2 GLN 61 6.948 -28.678 28.387 506 HB3 GLN 61 HB1 GLN 61 8.688 -28.552 28.606 507 HG2 GLN 61 HG2 GLN 61 7.218 -29.554 26.161 508 HG3 GLN 61 HG1 GLN 61 8.260 -28.139 26.287 509 HE21 GLN 61 HE21 GLN 61 8.626 -30.506 24.483 510 HE22 GLN 61 HE22 GLN 61 10.145 -31.150 24.884 511 HA PRO 62 HA PRO 62 5.214 -30.413 31.749 512 HB2 PRO 62 HB2 PRO 62 2.698 -30.605 30.637 513 HB3 PRO 62 HB1 PRO 62 3.641 -29.108 30.639 514 HG2 PRO 62 HG2 PRO 62 2.941 -30.820 28.395 515 HG3 PRO 62 HG1 PRO 62 3.671 -29.210 28.376 516 HD2 PRO 62 HD2 PRO 62 4.960 -31.827 28.115 517 HD3 PRO 62 HD1 PRO 62 5.604 -30.223 27.749 518 H SER 63 HN SER 63 5.869 -32.426 32.546 519 HA SER 63 HA SER 63 4.515 -34.861 31.704 520 HB2 SER 63 HB2 SER 63 5.994 -35.990 33.234 521 HB3 SER 63 HB1 SER 63 6.945 -34.836 32.305 522 HG SER 63 HG SER 63 6.096 -33.491 34.346 523 H SER 64 HN SER 64 3.829 -32.303 33.716 524 HA SER 64 HA SER 64 2.631 -33.780 35.896 525 HB2 SER 64 HB2 SER 64 2.211 -31.713 36.870 526 HB3 SER 64 HB1 SER 64 3.615 -31.345 35.872 527 HG SER 64 HG SER 64 0.893 -30.769 35.440 528 H GLU 65 HN GLU 65 1.719 -34.295 33.113 529 HA GLU 65 HA GLU 65 -0.246 -34.722 32.006 530 HB2 GLU 65 HB2 GLU 65 -1.320 -34.395 34.818 531 HB3 GLU 65 HB1 GLU 65 -2.281 -34.965 33.458 532 HG2 GLU 65 HG2 GLU 65 -0.767 -36.848 33.128 533 HG3 GLU 65 HG1 GLU 65 0.290 -36.253 34.408 534 H ARG 66 HN ARG 66 0.523 -31.795 33.210 535 HA ARG 66 HA ARG 66 -1.896 -30.326 32.808 536 HB2 ARG 66 HB2 ARG 66 -0.516 -28.351 33.062 537 HB3 ARG 66 HB1 ARG 66 -0.046 -29.543 34.272 538 HG2 ARG 66 HG2 ARG 66 1.823 -30.270 32.804 539 HG3 ARG 66 HG1 ARG 66 1.366 -29.030 31.639 540 HD2 ARG 66 HD2 ARG 66 1.771 -27.278 33.270 541 HD3 ARG 66 HD1 ARG 66 2.160 -28.475 34.501 542 HE ARG 66 HE ARG 66 3.883 -29.011 32.416 543 HH11 ARG 66 HH21 ARG 66 3.070 -26.280 34.375 544 HH12 ARG 66 HH22 ARG 66 4.662 -25.600 34.331 545 HH21 ARG 66 HH11 ARG 66 5.974 -28.129 32.354 546 HH22 ARG 66 HH12 ARG 66 6.307 -26.647 33.187 547 H LEU 67 HN LEU 67 0.315 -31.764 30.698 548 HA LEU 67 HA LEU 67 0.739 -30.093 28.594 549 HB2 LEU 67 HB2 LEU 67 0.555 -32.032 27.104 550 HB3 LEU 67 HB1 LEU 67 1.408 -32.452 28.587 551 HG LEU 67 HG LEU 67 -1.264 -32.958 29.266 552 HD11 LEU 67 HD11 LEU 67 -1.728 -32.643 26.771 553 HD12 LEU 67 HD12 LEU 67 -2.291 -34.154 27.487 554 HD13 LEU 67 HD13 LEU 67 -0.817 -34.130 26.518 555 HD21 LEU 67 HD21 LEU 67 -0.596 -35.347 29.076 556 HD22 LEU 67 HD22 LEU 67 0.649 -34.366 29.853 557 HD23 LEU 67 HD23 LEU 67 0.834 -34.854 28.171 558 H ASN 68 HN ASN 68 -2.314 -31.095 29.810 559 HA ASN 68 HA ASN 68 -4.036 -30.973 27.676 560 HB2 ASN 68 HB2 ASN 68 -4.802 -31.411 29.956 561 HB3 ASN 68 HB1 ASN 68 -4.427 -29.752 30.421 562 HD21 ASN 68 HD21 ASN 68 -6.833 -31.791 28.978 563 HD22 ASN 68 HD22 ASN 68 -7.922 -30.560 28.555 564 H ALA 69 HN ALA 69 -2.141 -28.419 29.051 565 HA ALA 69 HA ALA 69 -3.600 -26.200 28.046 566 HB1 ALA 69 HB1 ALA 69 -1.800 -26.120 29.817 567 HB2 ALA 69 HB2 ALA 69 -1.665 -24.894 28.556 568 HB3 ALA 69 HB3 ALA 69 -0.620 -26.315 28.521 569 H PHE 70 HN PHE 70 -1.154 -28.312 26.689 570 HA PHE 70 HA PHE 70 -0.218 -26.961 24.521 571 HB2 PHE 70 HB2 PHE 70 0.351 -29.025 23.621 572 HB3 PHE 70 HB1 PHE 70 0.023 -29.501 25.287 573 HD1 PHE 70 HD2 PHE 70 -2.876 -29.499 25.484 574 HD2 PHE 70 HD1 PHE 70 -0.403 -30.740 22.202 575 HE1 PHE 70 HE2 PHE 70 -4.683 -30.977 24.696 576 HE2 PHE 70 HE1 PHE 70 -2.225 -32.213 21.399 577 HZ PHE 70 HZ PHE 70 -4.365 -32.336 22.650 578 H ARG 71 HN ARG 71 -3.468 -27.799 25.156 579 HA ARG 71 HA ARG 71 -4.532 -27.955 22.572 580 HB2 ARG 71 HB2 ARG 71 -5.775 -28.576 24.622 581 HB3 ARG 71 HB1 ARG 71 -5.868 -26.868 25.060 582 HG2 ARG 71 HG2 ARG 71 -7.078 -26.396 22.952 583 HG3 ARG 71 HG1 ARG 71 -6.994 -28.106 22.527 584 HD2 ARG 71 HD2 ARG 71 -8.219 -28.622 24.659 585 HD3 ARG 71 HD1 ARG 71 -8.421 -26.889 24.904 586 HE ARG 71 HE ARG 71 -9.806 -28.540 22.944 587 HH11 ARG 71 HH21 ARG 71 -8.882 -25.381 24.012 588 HH12 ARG 71 HH22 ARG 71 -10.141 -24.569 23.144 589 HH21 ARG 71 HH11 ARG 71 -11.459 -27.483 21.802 590 HH22 ARG 71 HH12 ARG 71 -11.600 -25.759 21.892 591 H GLU 72 HN GLU 72 -3.873 -25.218 24.700 592 HA GLU 72 HA GLU 72 -5.122 -23.210 23.219 593 HB2 GLU 72 HB2 GLU 72 -2.633 -23.110 24.937 594 HB3 GLU 72 HB1 GLU 72 -3.447 -21.682 24.298 595 HG2 GLU 72 HG2 GLU 72 -4.821 -23.778 25.992 596 HG3 GLU 72 HG1 GLU 72 -4.133 -22.293 26.647 597 H LEU 73 HN LEU 73 -1.716 -24.252 23.126 598 HA LEU 73 HA LEU 73 -0.975 -22.592 20.976 599 HB2 LEU 73 HB2 LEU 73 0.428 -24.124 22.680 600 HB3 LEU 73 HB1 LEU 73 0.372 -25.253 21.329 601 HG LEU 73 HG LEU 73 1.397 -22.402 21.233 602 HD11 LEU 73 HD11 LEU 73 3.000 -23.811 22.302 603 HD12 LEU 73 HD12 LEU 73 3.539 -23.596 20.638 604 HD13 LEU 73 HD13 LEU 73 2.748 -25.096 21.121 605 HD21 LEU 73 HD21 LEU 73 0.483 -22.737 19.103 606 HD22 LEU 73 HD22 LEU 73 0.864 -24.456 19.092 607 HD23 LEU 73 HD23 LEU 73 2.148 -23.266 18.878 608 H ARG 74 HN ARG 74 -2.113 -25.938 21.085 609 HA ARG 74 HA ARG 74 -1.858 -26.478 18.331 610 HB2 ARG 74 HB2 ARG 74 -3.607 -27.664 20.484 611 HB3 ARG 74 HB1 ARG 74 -3.581 -28.279 18.835 612 HG2 ARG 74 HG2 ARG 74 -0.963 -27.921 20.290 613 HG3 ARG 74 HG1 ARG 74 -1.966 -29.319 20.671 614 HD2 ARG 74 HD2 ARG 74 -1.337 -28.652 17.801 615 HD3 ARG 74 HD1 ARG 74 -0.178 -29.538 18.784 616 HE ARG 74 HE ARG 74 -1.748 -31.332 18.980 617 HH11 ARG 74 HH21 ARG 74 -2.833 -28.713 16.984 618 HH12 ARG 74 HH22 ARG 74 -4.076 -29.635 16.212 619 HH21 ARG 74 HH11 ARG 74 -3.384 -32.540 17.968 620 HH22 ARG 74 HH12 ARG 74 -4.389 -31.795 16.771 621 H THR 75 HN THR 75 -4.397 -25.045 20.273 622 HA THR 75 HA THR 75 -6.450 -25.056 18.370 623 HB THR 75 HB THR 75 -5.886 -23.091 20.545 624 HG1 THR 75 HG1 THR 75 -7.842 -25.089 20.569 625 HG21 THR 75 HG21 THR 75 -7.395 -22.051 19.015 626 HG22 THR 75 HG22 THR 75 -8.377 -22.675 20.342 627 HG23 THR 75 HG23 THR 75 -8.304 -23.548 18.811 628 H GLN 76 HN GLN 76 -3.893 -22.700 19.032 629 HA GLN 76 HA GLN 76 -4.692 -20.734 17.194 630 HB2 GLN 76 HB2 GLN 76 -1.918 -21.500 18.141 631 HB3 GLN 76 HB1 GLN 76 -2.307 -20.018 17.268 632 HG2 GLN 76 HG2 GLN 76 -3.585 -20.824 19.892 633 HG3 GLN 76 HG1 GLN 76 -2.222 -19.717 19.761 634 HE21 GLN 76 HE21 GLN 76 -5.434 -19.595 20.262 635 HE22 GLN 76 HE22 GLN 76 -5.825 -18.163 19.438 636 H LEU 77 HN LEU 77 -2.282 -23.335 16.802 637 HA LEU 77 HA LEU 77 -1.825 -22.867 14.043 638 HB2 LEU 77 HB2 LEU 77 -1.331 -25.178 15.910 639 HB3 LEU 77 HB1 LEU 77 -1.058 -25.376 14.179 640 HG LEU 77 HG LEU 77 0.542 -23.570 14.155 641 HD11 LEU 77 HD11 LEU 77 -0.426 -23.125 16.979 642 HD12 LEU 77 HD12 LEU 77 -0.385 -21.970 15.652 643 HD13 LEU 77 HD13 LEU 77 1.116 -22.486 16.422 644 HD21 LEU 77 HD21 LEU 77 1.453 -25.706 14.859 645 HD22 LEU 77 HD22 LEU 77 0.944 -25.416 16.523 646 HD23 LEU 77 HD23 LEU 77 2.217 -24.430 15.806 647 H GLU 78 HN GLU 78 -4.043 -24.990 15.786 648 HA GLU 78 HA GLU 78 -5.071 -26.315 13.498 649 HB2 GLU 78 HB2 GLU 78 -5.318 -27.161 15.821 650 HB3 GLU 78 HB1 GLU 78 -6.420 -25.826 16.168 651 HG2 GLU 78 HG2 GLU 78 -7.948 -26.611 14.403 652 HG3 GLU 78 HG1 GLU 78 -6.842 -27.929 14.023 653 H LYS 79 HN LYS 79 -5.954 -23.353 15.194 654 HA LYS 79 HA LYS 79 -8.414 -22.876 13.912 655 HB2 LYS 79 HB2 LYS 79 -7.649 -21.676 15.938 656 HB3 LYS 79 HB1 LYS 79 -6.423 -20.856 14.971 657 HG2 LYS 79 HG2 LYS 79 -8.149 -19.846 13.576 658 HG3 LYS 79 HG1 LYS 79 -9.407 -20.733 14.440 659 HD2 LYS 79 HD2 LYS 79 -7.526 -19.001 16.037 660 HD3 LYS 79 HD1 LYS 79 -8.805 -18.219 15.109 661 HE2 LYS 79 HE2 LYS 79 -9.245 -20.447 17.117 662 HE3 LYS 79 HE1 LYS 79 -9.529 -18.735 17.429 663 HZ1 LYS 79 HZ1 LYS 79 -10.858 -19.194 15.106 664 HZ2 LYS 79 HZ2 LYS 79 -11.564 -19.118 16.650 665 HZ3 LYS 79 HZ3 LYS 79 -11.134 -20.620 15.982 666 H ALA 80 HN ALA 80 -5.104 -21.848 13.172 667 HA ALA 80 HA ALA 80 -5.794 -20.396 10.837 668 HB1 ALA 80 HB1 ALA 80 -3.192 -21.591 11.791 669 HB2 ALA 80 HB2 ALA 80 -3.686 -19.898 11.832 670 HB3 ALA 80 HB3 ALA 80 -3.321 -20.674 10.289 671 H LEU 81 HN LEU 81 -5.106 -23.746 11.503 672 HA LEU 81 HA LEU 81 -4.581 -24.603 8.884 673 HB2 LEU 81 HB2 LEU 81 -4.496 -25.852 11.267 674 HB3 LEU 81 HB1 LEU 81 -6.090 -26.408 10.761 675 HG LEU 81 HG LEU 81 -4.432 -28.025 10.015 676 HD11 LEU 81 HD11 LEU 81 -6.384 -27.223 8.469 677 HD12 LEU 81 HD12 LEU 81 -5.099 -28.203 7.762 678 HD13 LEU 81 HD13 LEU 81 -5.105 -26.457 7.528 679 HD21 LEU 81 HD21 LEU 81 -2.380 -27.461 9.160 680 HD22 LEU 81 HD22 LEU 81 -2.702 -25.860 9.813 681 HD23 LEU 81 HD23 LEU 81 -3.042 -26.203 8.120 682 H GLY 82 HN GLY 82 -7.603 -24.349 10.702 683 HA2 GLY 82 HA2 GLY 82 -9.222 -25.324 8.535 684 HA3 GLY 82 HA1 GLY 82 -9.804 -24.583 10.025 685 H LEU 83 HN LEU 83 -7.487 -22.587 8.826 686 HA LEU 83 HA LEU 83 -7.555 -20.496 7.872 687 HB2 LEU 83 HB2 LEU 83 -9.594 -21.821 6.067 688 HB3 LEU 83 HB1 LEU 83 -8.699 -20.342 5.714 689 HG LEU 83 HG LEU 83 -7.374 -23.009 6.286 690 HD11 LEU 83 HD11 LEU 83 -8.620 -23.264 4.234 691 HD12 LEU 83 HD12 LEU 83 -6.931 -23.001 3.797 692 HD13 LEU 83 HD13 LEU 83 -8.092 -21.682 3.658 693 HD21 LEU 83 HD21 LEU 83 -6.409 -20.281 5.398 694 HD22 LEU 83 HD22 LEU 83 -5.484 -21.732 5.012 695 HD23 LEU 83 HD23 LEU 83 -5.784 -21.305 6.691 696 H GLU 84 HN GLU 84 -9.942 -21.640 9.698 697 HA GLU 84 HA GLU 84 -11.996 -19.671 9.175 698 HB2 GLU 84 HB2 GLU 84 -12.424 -21.973 10.134 699 HB3 GLU 84 HB1 GLU 84 -11.678 -21.407 11.629 700 HG2 GLU 84 HG2 GLU 84 -14.024 -21.060 11.908 701 HG3 GLU 84 HG1 GLU 84 -13.345 -19.470 11.565 702 H HIS 85 HN HIS 85 -12.260 -17.734 10.147 703 HA HIS 85 HA HIS 85 -10.947 -17.061 12.625 704 HB2 HIS 85 HB2 HIS 85 -9.115 -16.822 10.920 705 HB3 HIS 85 HB1 HIS 85 -10.083 -15.572 10.138 706 HD2 HIS 85 HD2 HIS 85 -9.841 -13.058 11.307 707 HE1 HIS 85 HE1 HIS 85 -7.839 -14.266 14.823 708 HE2 HIS 85 HE2 HIS 85 -8.651 -12.262 13.491 709 H HIS 86 HN HIS 86 -12.591 -15.888 9.708 710 HA HIS 86 HA HIS 86 -13.903 -13.759 11.275 711 HB2 HIS 86 HB2 HIS 86 -13.888 -14.303 8.296 712 HB3 HIS 86 HB1 HIS 86 -14.657 -12.926 9.085 713 HD2 HIS 86 HD2 HIS 86 -11.188 -13.920 7.754 714 HE1 HIS 86 HE1 HIS 86 -10.610 -10.478 10.129 715 HE2 HIS 86 HE2 HIS 86 -9.516 -12.041 8.453 716 H HIS 87 HN HIS 87 -16.257 -13.491 9.875 717 HA HIS 87 HA HIS 87 -17.975 -15.255 11.172 718 HB2 HIS 87 HB2 HIS 87 -18.467 -13.724 8.607 719 HB3 HIS 87 HB1 HIS 87 -19.716 -14.440 9.626 720 HD2 HIS 87 HD2 HIS 87 -18.031 -11.090 9.282 721 HE1 HIS 87 HE1 HIS 87 -19.253 -11.276 13.319 722 HE2 HIS 87 HE2 HIS 87 -18.401 -9.739 11.486 723 H HIS 88 HN HIS 88 -17.973 -15.197 7.629 724 HA HIS 88 HA HIS 88 -17.308 -18.021 7.454 725 HB2 HIS 88 HB2 HIS 88 -20.085 -17.030 6.783 726 HB3 HIS 88 HB1 HIS 88 -19.451 -18.617 6.344 727 HD2 HIS 88 HD2 HIS 88 -21.319 -17.059 9.250 728 HE1 HIS 88 HE1 HIS 88 -19.384 -20.446 10.865 729 HE2 HIS 88 HE2 HIS 88 -21.147 -18.671 11.298 730 H HIS 89 HN HIS 89 -16.051 -18.196 5.762 731 HA HIS 89 HA HIS 89 -15.763 -16.188 3.783 732 HB2 HIS 89 HB2 HIS 89 -14.744 -19.024 3.969 733 HB3 HIS 89 HB1 HIS 89 -14.290 -17.915 2.674 734 HD2 HIS 89 HD2 HIS 89 -13.134 -18.775 6.202 735 HE1 HIS 89 HE1 HIS 89 -11.579 -14.933 5.400 736 HE2 HIS 89 HE2 HIS 89 -11.472 -16.918 6.979 737 H HIS 90 HN HIS 90 -17.379 -19.382 3.706 738 HA HIS 90 HA HIS 90 -17.951 -19.349 0.936 739 HB2 HIS 90 HB2 HIS 90 -19.409 -20.710 3.213 740 HB3 HIS 90 HB1 HIS 90 -19.741 -20.998 1.505 741 HD2 HIS 90 HD2 HIS 90 -17.658 -22.393 0.103 742 HE1 HIS 90 HE1 HIS 90 -15.449 -23.362 3.568 743 HE2 HIS 90 HE2 HIS 90 -15.697 -23.813 1.081 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -9.137 -17.494 19.623 2 H2 MET 1 HT2 MET 1 -8.225 -16.134 20.075 3 H3 MET 1 HT3 MET 1 -7.453 -17.500 19.424 4 HA MET 1 HA MET 1 -8.439 -17.150 17.295 5 HB2 MET 1 HB2 MET 1 -9.810 -14.977 17.050 6 HB3 MET 1 HB1 MET 1 -10.607 -16.346 17.826 7 HG2 MET 1 HG2 MET 1 -10.090 -15.431 20.039 8 HG3 MET 1 HG1 MET 1 -9.215 -14.091 19.299 9 HE1 MET 1 HE1 MET 1 -11.750 -13.722 21.408 10 HE2 MET 1 HE2 MET 1 -12.217 -12.207 20.639 11 HE3 MET 1 HE3 MET 1 -10.512 -12.628 20.776 12 H GLY 2 HN GLY 2 -7.535 -15.650 15.767 13 HA2 GLY 2 HA2 GLY 2 -6.105 -13.970 15.037 14 HA3 GLY 2 HA1 GLY 2 -5.996 -13.385 16.694 15 H VAL 3 HN VAL 3 -5.456 -16.643 16.787 16 HA VAL 3 HA VAL 3 -3.548 -17.790 17.428 17 HB VAL 3 HB VAL 3 -2.405 -16.609 14.899 18 HG11 VAL 3 HG11 VAL 3 -0.939 -18.096 16.181 19 HG12 VAL 3 HG12 VAL 3 -1.465 -18.904 14.704 20 HG13 VAL 3 HG13 VAL 3 -2.207 -19.320 16.249 21 HG21 VAL 3 HG21 VAL 3 -4.575 -18.692 15.264 22 HG22 VAL 3 HG22 VAL 3 -3.625 -18.552 13.784 23 HG23 VAL 3 HG23 VAL 3 -4.650 -17.214 14.304 24 H TRP 4 HN TRP 4 -3.097 -16.406 19.255 25 HA TRP 4 HA TRP 4 -0.653 -14.765 18.869 26 HB2 TRP 4 HB2 TRP 4 -3.061 -14.256 20.620 27 HB3 TRP 4 HB1 TRP 4 -1.512 -13.450 20.870 28 HD1 TRP 4 HD1 TRP 4 -4.480 -13.585 18.506 29 HE1 TRP 4 HE1 TRP 4 -4.307 -11.639 16.823 30 HE3 TRP 4 HE3 TRP 4 0.198 -11.873 19.617 31 HZ2 TRP 4 HZ2 TRP 4 -2.430 -9.621 16.051 32 HZ3 TRP 4 HZ3 TRP 4 1.154 -9.940 18.397 33 HH2 TRP 4 HH2 TRP 4 -0.152 -8.812 16.618 34 H THR 5 HN THR 5 1.001 -15.752 19.737 35 HA THR 5 HA THR 5 0.982 -16.574 22.482 36 HB THR 5 HB THR 5 1.627 -18.770 20.516 37 HG1 THR 5 HG1 THR 5 -0.791 -18.724 21.907 38 HG21 THR 5 HG21 THR 5 0.824 -18.755 23.440 39 HG22 THR 5 HG22 THR 5 2.469 -18.950 22.836 40 HG23 THR 5 HG23 THR 5 1.254 -20.181 22.496 41 HA PRO 6 HA PRO 6 5.037 -15.454 20.187 42 HB2 PRO 6 HB2 PRO 6 5.281 -12.859 21.060 43 HB3 PRO 6 HB1 PRO 6 4.443 -13.299 19.556 44 HG2 PRO 6 HG2 PRO 6 3.283 -12.753 22.257 45 HG3 PRO 6 HG1 PRO 6 2.765 -12.144 20.678 46 HD2 PRO 6 HD2 PRO 6 1.494 -14.204 21.850 47 HD3 PRO 6 HD1 PRO 6 1.753 -14.162 20.088 48 H GLU 7 HN GLU 7 7.014 -14.399 21.412 49 HA GLU 7 HA GLU 7 7.557 -15.919 23.699 50 HB2 GLU 7 HB2 GLU 7 9.539 -14.475 23.962 51 HB3 GLU 7 HB1 GLU 7 9.323 -14.985 22.288 52 HG2 GLU 7 HG2 GLU 7 8.201 -12.830 21.793 53 HG3 GLU 7 HG1 GLU 7 8.483 -12.317 23.456 54 H VAL 8 HN VAL 8 5.738 -13.046 23.362 55 HA VAL 8 HA VAL 8 6.100 -11.564 25.618 56 HB VAL 8 HB VAL 8 3.417 -12.459 24.543 57 HG11 VAL 8 HG11 VAL 8 2.708 -10.218 25.464 58 HG12 VAL 8 HG12 VAL 8 4.272 -10.130 26.275 59 HG13 VAL 8 HG13 VAL 8 3.134 -11.413 26.689 60 HG21 VAL 8 HG21 VAL 8 4.963 -9.945 23.874 61 HG22 VAL 8 HG22 VAL 8 3.531 -10.579 23.065 62 HG23 VAL 8 HG23 VAL 8 5.078 -11.410 22.901 63 H LEU 9 HN LEU 9 4.661 -14.765 25.403 64 HA LEU 9 HA LEU 9 3.578 -14.902 28.012 65 HB2 LEU 9 HB2 LEU 9 4.487 -16.937 25.991 66 HB3 LEU 9 HB1 LEU 9 4.059 -17.463 27.617 67 HG LEU 9 HG LEU 9 1.844 -16.414 27.386 68 HD11 LEU 9 HD11 LEU 9 2.942 -15.619 24.685 69 HD12 LEU 9 HD12 LEU 9 2.273 -14.570 25.933 70 HD13 LEU 9 HD13 LEU 9 1.214 -15.649 25.027 71 HD21 LEU 9 HD21 LEU 9 2.115 -18.752 26.673 72 HD22 LEU 9 HD22 LEU 9 2.595 -18.217 25.062 73 HD23 LEU 9 HD23 LEU 9 0.950 -17.933 25.632 74 H LYS 10 HN LYS 10 6.783 -15.675 26.708 75 HA LYS 10 HA LYS 10 7.878 -16.674 29.124 76 HB2 LYS 10 HB2 LYS 10 8.875 -17.019 26.857 77 HB3 LYS 10 HB1 LYS 10 9.351 -15.322 26.860 78 HG2 LYS 10 HG2 LYS 10 10.840 -15.632 28.706 79 HG3 LYS 10 HG1 LYS 10 10.160 -17.217 29.079 80 HD2 LYS 10 HD2 LYS 10 12.330 -17.427 27.913 81 HD3 LYS 10 HD1 LYS 10 11.017 -18.105 26.951 82 HE2 LYS 10 HE2 LYS 10 12.695 -16.591 25.722 83 HE3 LYS 10 HE1 LYS 10 10.983 -16.244 25.480 84 HZ1 LYS 10 HZ1 LYS 10 12.803 -14.869 27.384 85 HZ2 LYS 10 HZ2 LYS 10 11.139 -14.562 27.233 86 HZ3 LYS 10 HZ3 LYS 10 12.190 -14.223 25.942 87 H ALA 11 HN ALA 11 7.448 -13.461 27.805 88 HA ALA 11 HA ALA 11 9.214 -11.985 29.364 89 HB1 ALA 11 HB1 ALA 11 6.416 -11.031 28.774 90 HB2 ALA 11 HB2 ALA 11 7.617 -11.201 27.493 91 HB3 ALA 11 HB3 ALA 11 7.910 -10.096 28.836 92 H ARG 12 HN ARG 12 5.822 -12.826 30.092 93 HA ARG 12 HA ARG 12 5.852 -11.744 32.729 94 HB2 ARG 12 HB2 ARG 12 4.034 -13.558 31.175 95 HB3 ARG 12 HB1 ARG 12 3.820 -13.453 32.921 96 HG2 ARG 12 HG2 ARG 12 2.382 -11.812 31.821 97 HG3 ARG 12 HG1 ARG 12 3.645 -10.975 32.721 98 HD2 ARG 12 HD2 ARG 12 4.942 -10.670 30.672 99 HD3 ARG 12 HD1 ARG 12 3.747 -11.580 29.752 100 HE ARG 12 HE ARG 12 3.511 -8.836 30.676 101 HH11 ARG 12 HH21 ARG 12 1.922 -11.705 29.579 102 HH12 ARG 12 HH22 ARG 12 0.509 -10.875 29.018 103 HH21 ARG 12 HH11 ARG 12 1.663 -7.738 29.949 104 HH22 ARG 12 HH12 ARG 12 0.362 -8.626 29.228 105 H ALA 13 HN ALA 13 6.404 -14.962 31.395 106 HA ALA 13 HA ALA 13 6.809 -16.196 33.965 107 HB1 ALA 13 HB1 ALA 13 7.200 -18.190 32.786 108 HB2 ALA 13 HB2 ALA 13 7.744 -17.340 31.342 109 HB3 ALA 13 HB3 ALA 13 6.036 -17.331 31.776 110 H SER 14 HN SER 14 8.572 -14.003 32.297 111 HA SER 14 HA SER 14 11.210 -15.049 32.395 112 HB2 SER 14 HB2 SER 14 11.929 -12.843 31.916 113 HB3 SER 14 HB1 SER 14 10.363 -12.990 31.124 114 HG SER 14 HG SER 14 11.026 -11.157 32.787 115 H VAL 15 HN VAL 15 9.216 -14.790 34.880 116 HA VAL 15 HA VAL 15 10.465 -13.282 36.867 117 HB VAL 15 HB VAL 15 8.247 -14.358 37.114 118 HG11 VAL 15 HG11 VAL 15 9.054 -16.530 36.028 119 HG12 VAL 15 HG12 VAL 15 8.029 -16.713 37.451 120 HG13 VAL 15 HG13 VAL 15 9.775 -16.927 37.588 121 HG21 VAL 15 HG21 VAL 15 10.131 -15.412 39.235 122 HG22 VAL 15 HG22 VAL 15 8.474 -14.846 39.437 123 HG23 VAL 15 HG23 VAL 15 9.760 -13.694 39.082 124 H ILE 16 HN ILE 16 11.288 -16.374 35.472 125 HA ILE 16 HA ILE 16 13.772 -16.411 37.064 126 HB ILE 16 HB ILE 16 12.124 -17.985 38.082 127 HG12 ILE 16 HG12 ILE 16 13.633 -19.978 38.036 128 HG13 ILE 16 HG11 ILE 16 14.520 -19.243 36.702 129 HG21 ILE 16 HG21 ILE 16 12.396 -19.702 35.622 130 HG22 ILE 16 HG22 ILE 16 11.123 -18.484 35.713 131 HG23 ILE 16 HG23 ILE 16 11.192 -19.780 36.906 132 HD11 ILE 16 HD11 ILE 16 15.497 -17.642 38.053 133 HD12 ILE 16 HD12 ILE 16 15.306 -18.934 39.236 134 HD13 ILE 16 HD13 ILE 16 14.146 -17.608 39.189 135 H GLY 17 HN GLY 17 15.414 -16.351 35.701 136 HA2 GLY 17 HA2 GLY 17 15.146 -16.792 32.898 137 HA3 GLY 17 HA1 GLY 17 16.664 -16.562 33.774 138 H LYS 18 HN LYS 18 16.064 -18.457 31.624 139 HA LYS 18 HA LYS 18 17.062 -20.864 32.939 140 HB2 LYS 18 HB2 LYS 18 15.164 -22.047 31.343 141 HB3 LYS 18 HB1 LYS 18 14.937 -21.728 33.062 142 HG2 LYS 18 HG2 LYS 18 13.786 -19.662 32.602 143 HG3 LYS 18 HG1 LYS 18 14.196 -19.752 30.888 144 HD2 LYS 18 HD2 LYS 18 12.879 -21.863 30.719 145 HD3 LYS 18 HD1 LYS 18 12.405 -21.670 32.409 146 HE2 LYS 18 HE2 LYS 18 11.829 -19.710 30.168 147 HE3 LYS 18 HE1 LYS 18 10.654 -20.780 30.934 148 HZ1 LYS 18 HZ1 LYS 18 11.822 -19.497 33.024 149 HZ2 LYS 18 HZ2 LYS 18 10.316 -19.109 32.343 150 HZ3 LYS 18 HZ3 LYS 18 11.713 -18.279 31.849 151 HA PRO 19 HA PRO 19 19.430 -21.292 29.261 152 HB2 PRO 19 HB2 PRO 19 19.247 -24.026 28.759 153 HB3 PRO 19 HB1 PRO 19 20.323 -23.293 29.966 154 HG2 PRO 19 HG2 PRO 19 17.628 -24.522 30.343 155 HG3 PRO 19 HG1 PRO 19 19.086 -24.684 31.336 156 HD2 PRO 19 HD2 PRO 19 17.090 -23.060 32.094 157 HD3 PRO 19 HD1 PRO 19 18.787 -22.591 32.347 158 H ILE 20 HN ILE 20 19.120 -21.053 27.100 159 HA ILE 20 HA ILE 20 16.418 -21.358 26.058 160 HB ILE 20 HB ILE 20 17.203 -20.088 24.156 161 HG12 ILE 20 HG12 ILE 20 19.817 -19.304 24.666 162 HG13 ILE 20 HG11 ILE 20 19.847 -20.991 25.181 163 HG21 ILE 20 HG21 ILE 20 18.408 -18.898 26.665 164 HG22 ILE 20 HG22 ILE 20 16.672 -18.972 26.367 165 HG23 ILE 20 HG23 ILE 20 17.711 -18.035 25.294 166 HD11 ILE 20 HD11 ILE 20 19.215 -19.867 22.451 167 HD12 ILE 20 HD12 ILE 20 18.682 -21.484 22.902 168 HD13 ILE 20 HD13 ILE 20 20.402 -21.098 22.888 169 H GLY 21 HN GLY 21 15.757 -22.848 24.637 170 HA2 GLY 21 HA2 GLY 21 17.566 -25.047 23.994 171 HA3 GLY 21 HA1 GLY 21 15.829 -25.001 23.729 172 H GLU 22 HN GLU 22 17.903 -25.815 21.834 173 HA GLU 22 HA GLU 22 18.223 -23.701 19.906 174 HB2 GLU 22 HB2 GLU 22 19.852 -25.546 20.125 175 HB3 GLU 22 HB1 GLU 22 18.620 -26.686 19.594 176 HG2 GLU 22 HG2 GLU 22 18.431 -25.516 17.443 177 HG3 GLU 22 HG1 GLU 22 19.613 -24.322 17.975 178 H SER 23 HN SER 23 16.943 -26.870 19.036 179 HA SER 23 HA SER 23 15.112 -25.766 17.154 180 HB2 SER 23 HB2 SER 23 14.332 -28.105 16.910 181 HB3 SER 23 HB1 SER 23 16.086 -27.974 16.816 182 HG SER 23 HG SER 23 14.454 -28.950 18.894 183 H TYR 24 HN TYR 24 14.892 -26.650 20.511 184 HA TYR 24 HA TYR 24 12.071 -26.922 20.676 185 HB2 TYR 24 HB2 TYR 24 14.108 -26.148 22.768 186 HB3 TYR 24 HB1 TYR 24 12.425 -26.524 23.113 187 HD1 TYR 24 HD2 TYR 24 15.629 -27.888 21.859 188 HD2 TYR 24 HD1 TYR 24 11.604 -28.791 23.052 189 HE1 TYR 24 HE2 TYR 24 16.175 -30.308 21.873 190 HE2 TYR 24 HE1 TYR 24 12.149 -31.209 23.068 191 HH TYR 24 HH TYR 24 14.800 -32.491 23.364 192 H LYS 25 HN LYS 25 14.253 -24.174 20.788 193 HA LYS 25 HA LYS 25 12.146 -22.305 21.529 194 HB2 LYS 25 HB2 LYS 25 14.520 -22.036 22.285 195 HB3 LYS 25 HB1 LYS 25 14.972 -21.734 20.606 196 HG2 LYS 25 HG2 LYS 25 13.557 -19.775 20.509 197 HG3 LYS 25 HG1 LYS 25 12.887 -20.121 22.103 198 HD2 LYS 25 HD2 LYS 25 15.140 -19.833 23.092 199 HD3 LYS 25 HD1 LYS 25 15.782 -19.445 21.495 200 HE2 LYS 25 HE2 LYS 25 13.536 -17.906 22.826 201 HE3 LYS 25 HE1 LYS 25 15.230 -17.422 22.897 202 HZ1 LYS 25 HZ1 LYS 25 15.294 -17.177 20.553 203 HZ2 LYS 25 HZ2 LYS 25 13.912 -16.352 21.096 204 HZ3 LYS 25 HZ3 LYS 25 13.761 -17.877 20.361 205 H ARG 26 HN ARG 26 13.293 -23.752 18.683 206 HA ARG 26 HA ARG 26 12.973 -21.648 16.823 207 HB2 ARG 26 HB2 ARG 26 14.144 -23.773 16.320 208 HB3 ARG 26 HB1 ARG 26 12.600 -24.619 16.394 209 HG2 ARG 26 HG2 ARG 26 11.734 -23.238 14.550 210 HG3 ARG 26 HG1 ARG 26 13.263 -22.360 14.483 211 HD2 ARG 26 HD2 ARG 26 13.015 -25.353 14.098 212 HD3 ARG 26 HD1 ARG 26 13.067 -24.193 12.774 213 HE ARG 26 HE ARG 26 15.287 -23.713 14.423 214 HH11 ARG 26 HH21 ARG 26 13.971 -26.163 12.364 215 HH12 ARG 26 HH22 ARG 26 15.514 -26.798 11.901 216 HH21 ARG 26 HH11 ARG 26 17.316 -24.540 13.820 217 HH22 ARG 26 HH12 ARG 26 17.409 -25.878 12.726 218 H ILE 27 HN ILE 27 10.773 -24.119 18.080 219 HA ILE 27 HA ILE 27 8.576 -23.436 16.449 220 HB ILE 27 HB ILE 27 8.492 -25.542 17.498 221 HG12 ILE 27 HG12 ILE 27 6.355 -23.869 17.629 222 HG13 ILE 27 HG11 ILE 27 6.296 -25.531 18.184 223 HG21 ILE 27 HG21 ILE 27 9.052 -24.049 20.053 224 HG22 ILE 27 HG22 ILE 27 10.013 -25.309 19.279 225 HG23 ILE 27 HG23 ILE 27 8.474 -25.717 20.036 226 HD11 ILE 27 HD11 ILE 27 7.037 -23.294 20.075 227 HD12 ILE 27 HD12 ILE 27 6.459 -24.911 20.458 228 HD13 ILE 27 HD13 ILE 27 5.361 -23.722 19.756 229 H LEU 28 HN LEU 28 9.659 -22.321 19.601 230 HA LEU 28 HA LEU 28 7.405 -20.829 20.294 231 HB2 LEU 28 HB2 LEU 28 9.216 -21.339 21.881 232 HB3 LEU 28 HB1 LEU 28 10.316 -20.308 20.972 233 HG LEU 28 HG LEU 28 8.892 -18.349 21.450 234 HD11 LEU 28 HD11 LEU 28 7.157 -20.460 22.720 235 HD12 LEU 28 HD12 LEU 28 6.693 -19.114 21.679 236 HD13 LEU 28 HD13 LEU 28 7.136 -18.815 23.358 237 HD21 LEU 28 HD21 LEU 28 10.734 -19.107 23.004 238 HD22 LEU 28 HD22 LEU 28 9.496 -19.886 23.991 239 HD23 LEU 28 HD23 LEU 28 9.482 -18.136 23.778 240 H ALA 29 HN ALA 29 10.302 -19.919 18.454 241 HA ALA 29 HA ALA 29 9.369 -17.203 18.047 242 HB1 ALA 29 HB1 ALA 29 11.685 -18.690 16.788 243 HB2 ALA 29 HB2 ALA 29 11.774 -17.712 18.253 244 HB3 ALA 29 HB3 ALA 29 11.400 -16.951 16.707 245 H LYS 30 HN LYS 30 8.983 -20.245 16.531 246 HA LYS 30 HA LYS 30 8.677 -19.538 13.837 247 HB2 LYS 30 HB2 LYS 30 8.768 -21.872 14.708 248 HB3 LYS 30 HB1 LYS 30 7.138 -21.659 15.346 249 HG2 LYS 30 HG2 LYS 30 6.257 -21.259 13.124 250 HG3 LYS 30 HG1 LYS 30 7.875 -21.295 12.428 251 HD2 LYS 30 HD2 LYS 30 6.878 -23.670 13.997 252 HD3 LYS 30 HD1 LYS 30 6.355 -23.449 12.334 253 HE2 LYS 30 HE2 LYS 30 8.763 -23.295 11.648 254 HE3 LYS 30 HE1 LYS 30 9.216 -23.683 13.307 255 HZ1 LYS 30 HZ1 LYS 30 7.762 -25.371 11.360 256 HZ2 LYS 30 HZ2 LYS 30 7.744 -25.704 13.027 257 HZ3 LYS 30 HZ3 LYS 30 9.213 -25.711 12.171 258 H LEU 31 HN LEU 31 6.728 -18.840 16.567 259 HA LEU 31 HA LEU 31 4.184 -18.603 15.391 260 HB2 LEU 31 HB2 LEU 31 5.529 -17.332 17.764 261 HB3 LEU 31 HB1 LEU 31 3.928 -16.786 17.275 262 HG LEU 31 HG LEU 31 3.903 -18.602 19.015 263 HD11 LEU 31 HD11 LEU 31 1.962 -19.495 18.184 264 HD12 LEU 31 HD12 LEU 31 2.667 -19.890 16.618 265 HD13 LEU 31 HD13 LEU 31 2.159 -18.238 16.968 266 HD21 LEU 31 HD21 LEU 31 4.820 -20.421 16.779 267 HD22 LEU 31 HD22 LEU 31 4.633 -20.811 18.489 268 HD23 LEU 31 HD23 LEU 31 5.937 -19.748 17.967 269 H GLN 32 HN GLN 32 6.937 -16.395 15.519 270 HA GLN 32 HA GLN 32 5.782 -14.035 14.653 271 HB2 GLN 32 HB2 GLN 32 8.167 -14.296 15.279 272 HB3 GLN 32 HB1 GLN 32 8.450 -15.167 13.773 273 HG2 GLN 32 HG2 GLN 32 7.723 -13.186 12.488 274 HG3 GLN 32 HG1 GLN 32 7.439 -12.318 13.996 275 HE21 GLN 32 HE21 GLN 32 9.150 -10.976 14.532 276 HE22 GLN 32 HE22 GLN 32 10.778 -11.271 14.156 277 H ARG 33 HN ARG 33 6.885 -16.800 12.702 278 HA ARG 33 HA ARG 33 6.282 -15.667 10.179 279 HB2 ARG 33 HB2 ARG 33 6.654 -18.482 11.178 280 HB3 ARG 33 HB1 ARG 33 6.157 -18.189 9.513 281 HG2 ARG 33 HG2 ARG 33 8.537 -16.709 10.631 282 HG3 ARG 33 HG1 ARG 33 8.725 -18.380 10.101 283 HD2 ARG 33 HD2 ARG 33 7.760 -17.751 7.885 284 HD3 ARG 33 HD1 ARG 33 7.697 -16.073 8.415 285 HE ARG 33 HE ARG 33 10.327 -17.091 8.751 286 HH11 ARG 33 HH21 ARG 33 8.028 -16.112 6.364 287 HH12 ARG 33 HH22 ARG 33 9.223 -15.619 5.211 288 HH21 ARG 33 HH11 ARG 33 11.908 -16.447 7.247 289 HH22 ARG 33 HH12 ARG 33 11.423 -15.809 5.711 290 H ILE 34 HN ILE 34 4.407 -17.647 12.424 291 HA ILE 34 HA ILE 34 2.152 -18.002 10.746 292 HB ILE 34 HB ILE 34 2.199 -17.908 13.770 293 HG12 ILE 34 HG12 ILE 34 3.929 -19.442 13.053 294 HG13 ILE 34 HG11 ILE 34 2.545 -20.396 13.571 295 HG21 ILE 34 HG21 ILE 34 0.347 -19.618 13.416 296 HG22 ILE 34 HG22 ILE 34 0.363 -19.152 11.716 297 HG23 ILE 34 HG23 ILE 34 -0.047 -17.963 12.952 298 HD11 ILE 34 HD11 ILE 34 3.167 -21.406 11.537 299 HD12 ILE 34 HD12 ILE 34 3.525 -19.865 10.771 300 HD13 ILE 34 HD13 ILE 34 1.850 -20.340 11.059 301 H HIS 35 HN HIS 35 2.961 -15.563 13.197 302 HA HIS 35 HA HIS 35 0.539 -14.182 13.240 303 HB2 HIS 35 HB2 HIS 35 2.381 -13.730 14.803 304 HB3 HIS 35 HB1 HIS 35 3.343 -13.062 13.483 305 HD2 HIS 35 HD2 HIS 35 -0.093 -12.165 15.285 306 HE1 HIS 35 HE1 HIS 35 1.537 -8.667 13.574 307 HE2 HIS 35 HE2 HIS 35 -0.358 -9.584 14.994 308 H ASN 36 HN ASN 36 3.422 -13.460 11.243 309 HA ASN 36 HA ASN 36 2.032 -11.509 9.660 310 HB2 ASN 36 HB2 ASN 36 4.717 -12.867 9.442 311 HB3 ASN 36 HB1 ASN 36 4.135 -11.756 8.201 312 HD21 ASN 36 HD21 ASN 36 6.442 -11.189 9.858 313 HD22 ASN 36 HD22 ASN 36 6.061 -9.845 10.821 314 H SER 37 HN SER 37 3.080 -14.856 9.131 315 HA SER 37 HA SER 37 1.825 -14.959 6.508 316 HB2 SER 37 HB2 SER 37 2.945 -16.968 6.204 317 HB3 SER 37 HB1 SER 37 4.031 -16.140 7.318 318 HG SER 37 HG SER 37 2.378 -18.327 7.705 319 H ASN 38 HN ASN 38 0.364 -14.701 9.211 320 HA ASN 38 HA ASN 38 -1.059 -16.929 9.934 321 HB2 ASN 38 HB2 ASN 38 -1.297 -14.570 10.853 322 HB3 ASN 38 HB1 ASN 38 -2.354 -14.235 9.483 323 HD21 ASN 38 HD21 ASN 38 -4.274 -13.998 10.811 324 HD22 ASN 38 HD22 ASN 38 -4.984 -15.326 11.594 325 H ILE 39 HN ILE 39 -2.579 -18.207 9.062 326 HA ILE 39 HA ILE 39 -3.625 -19.250 7.271 327 HB ILE 39 HB ILE 39 -5.655 -18.013 6.596 328 HG12 ILE 39 HG12 ILE 39 -4.613 -15.856 8.407 329 HG13 ILE 39 HG11 ILE 39 -4.500 -15.780 6.653 330 HG21 ILE 39 HG21 ILE 39 -5.462 -19.328 8.738 331 HG22 ILE 39 HG22 ILE 39 -6.656 -18.031 8.790 332 HG23 ILE 39 HG23 ILE 39 -5.084 -17.814 9.559 333 HD11 ILE 39 HD11 ILE 39 -7.059 -16.116 8.221 334 HD12 ILE 39 HD12 ILE 39 -6.924 -15.972 6.468 335 HD13 ILE 39 HD13 ILE 39 -6.507 -14.603 7.501 336 H LEU 40 HN LEU 40 -1.249 -18.316 6.304 337 HA LEU 40 HA LEU 40 -1.844 -16.874 3.818 338 HB2 LEU 40 HB2 LEU 40 0.102 -16.192 5.233 339 HB3 LEU 40 HB1 LEU 40 0.833 -17.764 4.911 340 HG LEU 40 HG LEU 40 0.744 -17.266 2.470 341 HD11 LEU 40 HD11 LEU 40 0.468 -14.640 2.077 342 HD12 LEU 40 HD12 LEU 40 -0.569 -14.771 3.497 343 HD13 LEU 40 HD13 LEU 40 -0.924 -15.715 2.050 344 HD21 LEU 40 HD21 LEU 40 2.598 -15.663 2.489 345 HD22 LEU 40 HD22 LEU 40 2.763 -16.783 3.841 346 HD23 LEU 40 HD23 LEU 40 2.159 -15.150 4.118 347 H ASP 41 HN ASP 41 -1.847 -17.808 1.868 348 HA ASP 41 HA ASP 41 -2.221 -20.506 1.492 349 HB2 ASP 41 HB2 ASP 41 -1.187 -18.405 -0.405 350 HB3 ASP 41 HB1 ASP 41 -1.583 -20.045 -0.915 351 H GLU 42 HN GLU 42 0.804 -18.711 1.472 352 HA GLU 42 HA GLU 42 2.442 -20.813 0.498 353 HB2 GLU 42 HB2 GLU 42 3.064 -18.402 0.517 354 HB3 GLU 42 HB1 GLU 42 3.220 -18.493 2.271 355 HG2 GLU 42 HG2 GLU 42 4.949 -20.230 2.044 356 HG3 GLU 42 HG1 GLU 42 4.782 -20.177 0.291 357 H ARG 43 HN ARG 43 2.080 -19.535 3.820 358 HA ARG 43 HA ARG 43 3.492 -21.773 4.959 359 HB2 ARG 43 HB2 ARG 43 2.186 -19.292 6.044 360 HB3 ARG 43 HB1 ARG 43 2.543 -20.609 7.157 361 HG2 ARG 43 HG2 ARG 43 4.677 -19.635 5.258 362 HG3 ARG 43 HG1 ARG 43 4.356 -18.752 6.744 363 HD2 ARG 43 HD2 ARG 43 4.706 -20.843 8.041 364 HD3 ARG 43 HD1 ARG 43 5.117 -21.682 6.551 365 HE ARG 43 HE ARG 43 6.751 -19.702 7.945 366 HH11 ARG 43 HH21 ARG 43 6.155 -21.570 5.088 367 HH12 ARG 43 HH22 ARG 43 7.783 -21.456 4.511 368 HH21 ARG 43 HH11 ARG 43 8.880 -19.543 7.188 369 HH22 ARG 43 HH12 ARG 43 9.327 -20.308 5.699 370 H GLN 44 HN GLN 44 0.267 -21.180 4.075 371 HA GLN 44 HA GLN 44 -1.331 -22.444 5.883 372 HB2 GLN 44 HB2 GLN 44 -1.358 -22.039 2.979 373 HB3 GLN 44 HB1 GLN 44 -2.229 -23.497 3.436 374 HG2 GLN 44 HG2 GLN 44 -2.701 -20.784 4.706 375 HG3 GLN 44 HG1 GLN 44 -3.662 -21.431 3.377 376 HE21 GLN 44 HE21 GLN 44 -3.813 -21.082 6.639 377 HE22 GLN 44 HE22 GLN 44 -4.701 -22.470 7.045 378 H GLY 45 HN GLY 45 0.944 -23.971 3.653 379 HA2 GLY 45 HA2 GLY 45 0.143 -26.653 4.190 380 HA3 GLY 45 HA1 GLY 45 1.668 -26.151 3.463 381 H LEU 46 HN LEU 46 2.619 -24.494 5.523 382 HA LEU 46 HA LEU 46 3.860 -26.387 7.189 383 HB2 LEU 46 HB2 LEU 46 4.603 -23.970 6.525 384 HB3 LEU 46 HB1 LEU 46 3.665 -23.471 7.930 385 HG LEU 46 HG LEU 46 5.871 -25.564 8.012 386 HD11 LEU 46 HD11 LEU 46 6.709 -23.290 7.425 387 HD12 LEU 46 HD12 LEU 46 7.270 -23.830 9.008 388 HD13 LEU 46 HD13 LEU 46 5.954 -22.663 8.889 389 HD21 LEU 46 HD21 LEU 46 5.665 -24.718 10.548 390 HD22 LEU 46 HD22 LEU 46 4.643 -26.001 9.929 391 HD23 LEU 46 HD23 LEU 46 4.019 -24.355 10.047 392 H MET 47 HN MET 47 1.176 -24.145 7.759 393 HA MET 47 HA MET 47 0.809 -24.543 10.486 394 HB2 MET 47 HB2 MET 47 -0.404 -22.895 8.996 395 HB3 MET 47 HB1 MET 47 -1.429 -24.233 8.479 396 HG2 MET 47 HG2 MET 47 -2.675 -23.341 10.247 397 HG3 MET 47 HG1 MET 47 -1.768 -24.611 11.065 398 HE1 MET 47 HE1 MET 47 -1.997 -20.846 10.186 399 HE2 MET 47 HE2 MET 47 -1.727 -20.184 11.796 400 HE3 MET 47 HE3 MET 47 -3.044 -21.322 11.530 401 H HIS 48 HN HIS 48 -0.360 -26.467 7.746 402 HA HIS 48 HA HIS 48 -2.043 -28.212 9.155 403 HB2 HIS 48 HB2 HIS 48 -0.357 -28.803 6.710 404 HB3 HIS 48 HB1 HIS 48 -1.760 -29.726 7.249 405 HD2 HIS 48 HD2 HIS 48 -2.649 -26.116 7.808 406 HE1 HIS 48 HE1 HIS 48 -3.909 -26.923 3.862 407 HE2 HIS 48 HE2 HIS 48 -4.052 -25.265 5.779 408 H GLU 49 HN GLU 49 1.415 -28.466 8.391 409 HA GLU 49 HA GLU 49 1.703 -30.942 9.865 410 HB2 GLU 49 HB2 GLU 49 3.710 -29.121 8.523 411 HB3 GLU 49 HB1 GLU 49 4.139 -30.624 9.342 412 HG2 GLU 49 HG2 GLU 49 2.124 -30.440 7.091 413 HG3 GLU 49 HG1 GLU 49 3.816 -30.881 6.861 414 H LEU 50 HN LEU 50 1.864 -27.582 10.522 415 HA LEU 50 HA LEU 50 3.719 -27.505 12.619 416 HB2 LEU 50 HB2 LEU 50 2.690 -25.509 11.527 417 HB3 LEU 50 HB1 LEU 50 1.188 -25.874 12.360 418 HG LEU 50 HG LEU 50 2.425 -25.714 14.541 419 HD11 LEU 50 HD11 LEU 50 4.688 -26.059 14.130 420 HD12 LEU 50 HD12 LEU 50 4.643 -24.304 14.236 421 HD13 LEU 50 HD13 LEU 50 4.681 -25.087 12.658 422 HD21 LEU 50 HD21 LEU 50 1.165 -23.792 13.381 423 HD22 LEU 50 HD22 LEU 50 2.756 -23.190 12.929 424 HD23 LEU 50 HD23 LEU 50 2.325 -23.340 14.629 425 H MET 51 HN MET 51 0.239 -28.214 12.617 426 HA MET 51 HA MET 51 -0.232 -28.306 15.351 427 HB2 MET 51 HB2 MET 51 -2.024 -28.549 13.682 428 HB3 MET 51 HB1 MET 51 -1.378 -30.121 13.210 429 HG2 MET 51 HG2 MET 51 -1.805 -30.991 15.471 430 HG3 MET 51 HG1 MET 51 -2.392 -29.406 15.976 431 HE1 MET 51 HE1 MET 51 -3.222 -31.289 12.372 432 HE2 MET 51 HE2 MET 51 -4.248 -32.468 13.183 433 HE3 MET 51 HE3 MET 51 -2.571 -32.281 13.685 434 H GLU 52 HN GLU 52 1.072 -30.838 13.229 435 HA GLU 52 HA GLU 52 1.266 -32.823 15.255 436 HB2 GLU 52 HB2 GLU 52 2.715 -32.489 12.622 437 HB3 GLU 52 HB1 GLU 52 2.849 -33.917 13.648 438 HG2 GLU 52 HG2 GLU 52 0.439 -34.298 13.489 439 HG3 GLU 52 HG1 GLU 52 0.249 -32.827 12.537 440 H LEU 53 HN LEU 53 3.575 -30.469 13.943 441 HA LEU 53 HA LEU 53 5.817 -31.316 15.429 442 HB2 LEU 53 HB2 LEU 53 5.048 -28.733 14.095 443 HB3 LEU 53 HB1 LEU 53 6.545 -28.849 15.016 444 HG LEU 53 HG LEU 53 5.923 -30.939 12.925 445 HD11 LEU 53 HD11 LEU 53 7.282 -29.479 11.334 446 HD12 LEU 53 HD12 LEU 53 6.994 -28.147 12.453 447 HD13 LEU 53 HD13 LEU 53 5.634 -28.934 11.651 448 HD21 LEU 53 HD21 LEU 53 7.864 -31.295 14.397 449 HD22 LEU 53 HD22 LEU 53 8.480 -29.692 13.997 450 HD23 LEU 53 HD23 LEU 53 8.411 -30.947 12.761 451 H ILE 54 HN ILE 54 3.306 -28.909 16.119 452 HA ILE 54 HA ILE 54 4.426 -27.933 18.509 453 HB ILE 54 HB ILE 54 1.589 -28.031 17.509 454 HG12 ILE 54 HG12 ILE 54 3.507 -26.563 16.465 455 HG13 ILE 54 HG11 ILE 54 1.943 -25.842 16.801 456 HG21 ILE 54 HG21 ILE 54 1.283 -27.931 19.839 457 HG22 ILE 54 HG22 ILE 54 1.261 -26.238 19.346 458 HG23 ILE 54 HG23 ILE 54 2.710 -26.925 20.081 459 HD11 ILE 54 HD11 ILE 54 2.718 -24.642 18.642 460 HD12 ILE 54 HD12 ILE 54 4.110 -24.584 17.561 461 HD13 ILE 54 HD13 ILE 54 4.082 -25.723 18.905 462 H ASP 55 HN ASP 55 2.156 -30.574 17.875 463 HA ASP 55 HA ASP 55 1.545 -31.207 20.524 464 HB2 ASP 55 HB2 ASP 55 0.308 -32.124 18.620 465 HB3 ASP 55 HB1 ASP 55 1.731 -33.037 18.121 466 H LEU 56 HN LEU 56 4.198 -32.241 18.432 467 HA LEU 56 HA LEU 56 5.255 -34.169 20.181 468 HB2 LEU 56 HB2 LEU 56 6.554 -32.514 18.017 469 HB3 LEU 56 HB1 LEU 56 7.379 -33.820 18.864 470 HG LEU 56 HG LEU 56 4.748 -34.171 17.397 471 HD11 LEU 56 HD11 LEU 56 6.106 -35.215 15.608 472 HD12 LEU 56 HD12 LEU 56 7.574 -34.761 16.473 473 HD13 LEU 56 HD13 LEU 56 6.513 -33.513 15.822 474 HD21 LEU 56 HD21 LEU 56 4.903 -35.999 18.847 475 HD22 LEU 56 HD22 LEU 56 6.666 -36.012 18.821 476 HD23 LEU 56 HD23 LEU 56 5.756 -36.627 17.442 477 H TYR 57 HN TYR 57 5.902 -30.705 19.831 478 HA TYR 57 HA TYR 57 7.924 -30.718 21.901 479 HB2 TYR 57 HB2 TYR 57 6.587 -28.552 20.283 480 HB3 TYR 57 HB1 TYR 57 7.685 -28.172 21.610 481 HD1 TYR 57 HD2 TYR 57 9.947 -29.587 21.589 482 HD2 TYR 57 HD1 TYR 57 7.517 -28.774 18.143 483 HE1 TYR 57 HE2 TYR 57 11.898 -29.994 20.118 484 HE2 TYR 57 HE1 TYR 57 9.468 -29.180 16.671 485 HH TYR 57 HH TYR 57 12.046 -29.041 16.964 486 H GLU 58 HN GLU 58 4.750 -29.090 21.603 487 HA GLU 58 HA GLU 58 4.489 -28.086 24.119 488 HB2 GLU 58 HB2 GLU 58 2.236 -27.836 23.678 489 HB3 GLU 58 HB1 GLU 58 2.779 -28.229 22.053 490 HG2 GLU 58 HG2 GLU 58 2.300 -30.668 22.618 491 HG3 GLU 58 HG1 GLU 58 1.498 -30.084 24.071 492 H GLU 59 HN GLU 59 4.588 -31.421 23.251 493 HA GLU 59 HA GLU 59 3.363 -32.343 25.712 494 HB2 GLU 59 HB2 GLU 59 3.167 -33.588 23.561 495 HB3 GLU 59 HB1 GLU 59 4.898 -33.912 23.625 496 HG2 GLU 59 HG2 GLU 59 3.763 -35.834 24.536 497 HG3 GLU 59 HG1 GLU 59 4.523 -34.989 25.882 498 H SER 60 HN SER 60 6.630 -32.124 24.354 499 HA SER 60 HA SER 60 7.808 -33.179 26.817 500 HB2 SER 60 HB2 SER 60 8.623 -33.822 24.515 501 HB3 SER 60 HB1 SER 60 9.215 -32.173 24.337 502 HG SER 60 HG SER 60 10.915 -33.046 25.263 503 H GLN 61 HN GLN 61 7.076 -30.119 25.411 504 HA GLN 61 HA GLN 61 9.169 -28.581 26.546 505 HB2 GLN 61 HB2 GLN 61 7.031 -28.102 24.797 506 HB3 GLN 61 HB1 GLN 61 6.680 -27.072 26.177 507 HG2 GLN 61 HG2 GLN 61 8.034 -25.743 24.747 508 HG3 GLN 61 HG1 GLN 61 9.129 -26.301 26.011 509 HE21 GLN 61 HE21 GLN 61 9.951 -25.547 23.299 510 HE22 GLN 61 HE22 GLN 61 10.612 -26.936 22.584 511 HA PRO 62 HA PRO 62 6.413 -27.895 30.266 512 HB2 PRO 62 HB2 PRO 62 3.810 -28.623 30.237 513 HB3 PRO 62 HB1 PRO 62 4.395 -27.226 29.311 514 HG2 PRO 62 HG2 PRO 62 3.491 -29.853 28.327 515 HG3 PRO 62 HG1 PRO 62 3.656 -28.320 27.456 516 HD2 PRO 62 HD2 PRO 62 5.558 -30.569 27.571 517 HD3 PRO 62 HD1 PRO 62 5.586 -29.140 26.513 518 H SER 63 HN SER 63 7.710 -29.421 31.281 519 HA SER 63 HA SER 63 7.168 -32.182 31.558 520 HB2 SER 63 HB2 SER 63 8.807 -32.046 33.422 521 HB3 SER 63 HB1 SER 63 9.392 -31.246 31.966 522 HG SER 63 HG SER 63 9.249 -29.366 32.936 523 H SER 64 HN SER 64 5.828 -29.362 32.998 524 HA SER 64 HA SER 64 4.828 -30.725 35.372 525 HB2 SER 64 HB2 SER 64 4.234 -27.947 34.323 526 HB3 SER 64 HB1 SER 64 3.791 -28.576 35.908 527 HG SER 64 HG SER 64 5.892 -28.612 36.488 528 H GLU 65 HN GLU 65 4.051 -31.444 32.504 529 HA GLU 65 HA GLU 65 2.179 -32.122 31.373 530 HB2 GLU 65 HB2 GLU 65 1.106 -32.134 34.197 531 HB3 GLU 65 HB1 GLU 65 0.231 -32.791 32.813 532 HG2 GLU 65 HG2 GLU 65 3.021 -33.654 33.610 533 HG3 GLU 65 HG1 GLU 65 1.557 -34.513 34.085 534 H ARG 66 HN ARG 66 2.677 -29.304 31.567 535 HA ARG 66 HA ARG 66 0.145 -27.987 31.986 536 HB2 ARG 66 HB2 ARG 66 2.550 -27.012 32.317 537 HB3 ARG 66 HB1 ARG 66 2.477 -26.707 30.582 538 HG2 ARG 66 HG2 ARG 66 1.577 -24.714 31.396 539 HG3 ARG 66 HG1 ARG 66 0.106 -25.660 31.177 540 HD2 ARG 66 HD2 ARG 66 0.234 -26.343 33.579 541 HD3 ARG 66 HD1 ARG 66 1.646 -25.312 33.769 542 HE ARG 66 HE ARG 66 -0.429 -23.751 32.702 543 HH11 ARG 66 HH21 ARG 66 0.376 -25.545 35.544 544 HH12 ARG 66 HH22 ARG 66 -0.519 -24.522 36.616 545 HH21 ARG 66 HH11 ARG 66 -1.609 -22.398 34.097 546 HH22 ARG 66 HH12 ARG 66 -1.644 -22.735 35.795 547 H LEU 67 HN LEU 67 1.548 -29.695 29.416 548 HA LEU 67 HA LEU 67 0.957 -28.446 27.094 549 HB2 LEU 67 HB2 LEU 67 0.202 -30.696 26.200 550 HB3 LEU 67 HB1 LEU 67 1.786 -30.657 26.957 551 HG LEU 67 HG LEU 67 -0.248 -31.190 28.986 552 HD11 LEU 67 HD11 LEU 67 -1.579 -32.154 27.196 553 HD12 LEU 67 HD12 LEU 67 -0.898 -33.455 28.175 554 HD13 LEU 67 HD13 LEU 67 -0.189 -33.067 26.608 555 HD21 LEU 67 HD21 LEU 67 1.195 -33.074 29.487 556 HD22 LEU 67 HD22 LEU 67 2.218 -31.691 29.090 557 HD23 LEU 67 HD23 LEU 67 1.960 -32.970 27.903 558 H ASN 68 HN ASN 68 -1.312 -29.312 29.529 559 HA ASN 68 HA ASN 68 -3.687 -29.508 28.054 560 HB2 ASN 68 HB2 ASN 68 -4.819 -28.986 30.128 561 HB3 ASN 68 HB1 ASN 68 -3.428 -30.004 30.497 562 HD21 ASN 68 HD21 ASN 68 -2.001 -29.201 32.062 563 HD22 ASN 68 HD22 ASN 68 -1.960 -27.587 32.587 564 H ALA 69 HN ALA 69 -1.984 -26.685 29.373 565 HA ALA 69 HA ALA 69 -3.927 -24.776 28.522 566 HB1 ALA 69 HB1 ALA 69 -2.299 -23.111 29.115 567 HB2 ALA 69 HB2 ALA 69 -0.985 -24.283 29.031 568 HB3 ALA 69 HB3 ALA 69 -2.190 -24.400 30.314 569 H PHE 70 HN PHE 70 -0.976 -26.106 27.117 570 HA PHE 70 HA PHE 70 -0.862 -24.370 24.870 571 HB2 PHE 70 HB2 PHE 70 0.294 -27.109 25.364 572 HB3 PHE 70 HB1 PHE 70 0.607 -26.175 23.906 573 HD1 PHE 70 HD2 PHE 70 0.990 -26.181 27.608 574 HD2 PHE 70 HD1 PHE 70 2.107 -24.317 23.903 575 HE1 PHE 70 HE2 PHE 70 2.755 -24.899 28.786 576 HE2 PHE 70 HE1 PHE 70 3.869 -23.032 25.082 577 HZ PHE 70 HZ PHE 70 4.194 -23.323 27.523 578 H ARG 71 HN ARG 71 -2.686 -27.225 25.607 579 HA ARG 71 HA ARG 71 -3.308 -28.264 23.135 580 HB2 ARG 71 HB2 ARG 71 -4.137 -29.164 25.289 581 HB3 ARG 71 HB1 ARG 71 -5.254 -27.805 25.405 582 HG2 ARG 71 HG2 ARG 71 -6.338 -28.491 23.310 583 HG3 ARG 71 HG1 ARG 71 -5.203 -29.832 23.151 584 HD2 ARG 71 HD2 ARG 71 -6.014 -30.725 25.334 585 HD3 ARG 71 HD1 ARG 71 -7.205 -29.429 25.389 586 HE ARG 71 HE ARG 71 -8.429 -30.521 23.719 587 HH11 ARG 71 HH21 ARG 71 -5.322 -31.969 24.208 588 HH12 ARG 71 HH22 ARG 71 -5.684 -33.385 23.277 589 HH21 ARG 71 HH11 ARG 71 -8.907 -32.369 22.497 590 HH22 ARG 71 HH12 ARG 71 -7.714 -33.611 22.309 591 H GLU 72 HN GLU 72 -4.236 -25.215 24.514 592 HA GLU 72 HA GLU 72 -6.412 -24.630 22.786 593 HB2 GLU 72 HB2 GLU 72 -4.516 -22.827 24.302 594 HB3 GLU 72 HB1 GLU 72 -5.937 -22.253 23.428 595 HG2 GLU 72 HG2 GLU 72 -6.037 -24.362 25.593 596 HG3 GLU 72 HG1 GLU 72 -6.330 -22.649 25.886 597 H LEU 73 HN LEU 73 -2.931 -24.305 22.537 598 HA LEU 73 HA LEU 73 -2.828 -22.593 20.301 599 HB2 LEU 73 HB2 LEU 73 -0.942 -23.561 21.919 600 HB3 LEU 73 HB1 LEU 73 -0.793 -24.776 20.657 601 HG LEU 73 HG LEU 73 0.775 -22.992 20.190 602 HD11 LEU 73 HD11 LEU 73 -1.495 -22.468 18.283 603 HD12 LEU 73 HD12 LEU 73 -0.677 -24.031 18.311 604 HD13 LEU 73 HD13 LEU 73 0.231 -22.564 17.943 605 HD21 LEU 73 HD21 LEU 73 0.344 -20.754 20.396 606 HD22 LEU 73 HD22 LEU 73 -0.957 -21.298 21.450 607 HD23 LEU 73 HD23 LEU 73 -1.298 -20.890 19.768 608 H ARG 74 HN ARG 74 -2.943 -26.130 20.577 609 HA ARG 74 HA ARG 74 -2.739 -26.728 17.837 610 HB2 ARG 74 HB2 ARG 74 -4.073 -28.213 20.108 611 HB3 ARG 74 HB1 ARG 74 -3.952 -28.861 18.470 612 HG2 ARG 74 HG2 ARG 74 -1.473 -28.551 18.580 613 HG3 ARG 74 HG1 ARG 74 -1.649 -28.050 20.264 614 HD2 ARG 74 HD2 ARG 74 -2.696 -30.687 19.231 615 HD3 ARG 74 HD1 ARG 74 -1.076 -30.505 19.891 616 HE ARG 74 HE ARG 74 -2.881 -29.427 21.751 617 HH11 ARG 74 HH21 ARG 74 -2.083 -32.445 20.262 618 HH12 ARG 74 HH22 ARG 74 -2.586 -33.404 21.614 619 HH21 ARG 74 HH11 ARG 74 -3.543 -30.678 23.531 620 HH22 ARG 74 HH12 ARG 74 -3.411 -32.403 23.465 621 H THR 75 HN THR 75 -5.419 -25.711 19.833 622 HA THR 75 HA THR 75 -7.531 -26.353 18.116 623 HB THR 75 HB THR 75 -7.424 -23.922 19.836 624 HG1 THR 75 HG1 THR 75 -7.846 -26.628 20.520 625 HG21 THR 75 HG21 THR 75 -9.770 -24.142 19.949 626 HG22 THR 75 HG22 THR 75 -9.714 -25.789 19.324 627 HG23 THR 75 HG23 THR 75 -9.371 -24.428 18.255 628 H GLN 76 HN GLN 76 -5.506 -23.447 18.308 629 HA GLN 76 HA GLN 76 -6.830 -21.938 16.339 630 HB2 GLN 76 HB2 GLN 76 -4.021 -21.964 17.423 631 HB3 GLN 76 HB1 GLN 76 -4.430 -20.917 16.065 632 HG2 GLN 76 HG2 GLN 76 -4.694 -19.693 18.168 633 HG3 GLN 76 HG1 GLN 76 -6.267 -19.925 17.409 634 HE21 GLN 76 HE21 GLN 76 -4.340 -20.660 20.226 635 HE22 GLN 76 HE22 GLN 76 -5.519 -21.571 21.037 636 H LEU 77 HN LEU 77 -4.086 -24.190 16.078 637 HA LEU 77 HA LEU 77 -3.720 -23.931 13.279 638 HB2 LEU 77 HB2 LEU 77 -2.992 -26.015 15.325 639 HB3 LEU 77 HB1 LEU 77 -2.700 -26.316 13.613 640 HG LEU 77 HG LEU 77 -1.262 -24.396 13.430 641 HD11 LEU 77 HD11 LEU 77 -2.356 -22.740 14.746 642 HD12 LEU 77 HD12 LEU 77 -0.815 -23.021 15.557 643 HD13 LEU 77 HD13 LEU 77 -2.290 -23.743 16.191 644 HD21 LEU 77 HD21 LEU 77 -0.758 -26.066 15.901 645 HD22 LEU 77 HD22 LEU 77 0.408 -24.879 15.320 646 HD23 LEU 77 HD23 LEU 77 -0.045 -26.240 14.298 647 H GLU 78 HN GLU 78 -5.657 -26.141 15.255 648 HA GLU 78 HA GLU 78 -6.619 -27.726 13.099 649 HB2 GLU 78 HB2 GLU 78 -7.603 -27.221 15.902 650 HB3 GLU 78 HB1 GLU 78 -8.440 -28.306 14.795 651 HG2 GLU 78 HG2 GLU 78 -6.467 -29.683 14.573 652 HG3 GLU 78 HG1 GLU 78 -5.516 -28.553 15.538 653 H LYS 79 HN LYS 79 -7.840 -24.823 14.723 654 HA LYS 79 HA LYS 79 -10.329 -24.710 13.375 655 HB2 LYS 79 HB2 LYS 79 -8.636 -22.625 14.756 656 HB3 LYS 79 HB1 LYS 79 -10.200 -22.245 14.040 657 HG2 LYS 79 HG2 LYS 79 -9.963 -24.554 15.966 658 HG3 LYS 79 HG1 LYS 79 -10.067 -22.909 16.585 659 HD2 LYS 79 HD2 LYS 79 -12.164 -22.581 15.275 660 HD3 LYS 79 HD1 LYS 79 -12.084 -24.268 14.769 661 HE2 LYS 79 HE2 LYS 79 -12.099 -23.419 17.671 662 HE3 LYS 79 HE1 LYS 79 -13.566 -23.827 16.779 663 HZ1 LYS 79 HZ1 LYS 79 -11.220 -25.612 17.140 664 HZ2 LYS 79 HZ2 LYS 79 -12.653 -26.003 16.315 665 HZ3 LYS 79 HZ3 LYS 79 -12.681 -25.731 17.992 666 H ALA 80 HN ALA 80 -7.157 -23.284 12.757 667 HA ALA 80 HA ALA 80 -7.913 -21.779 10.498 668 HB1 ALA 80 HB1 ALA 80 -5.241 -22.984 11.235 669 HB2 ALA 80 HB2 ALA 80 -5.792 -21.345 11.581 670 HB3 ALA 80 HB3 ALA 80 -5.484 -21.840 9.916 671 H LEU 81 HN LEU 81 -7.265 -25.150 10.975 672 HA LEU 81 HA LEU 81 -6.670 -25.890 8.320 673 HB2 LEU 81 HB2 LEU 81 -6.651 -27.233 10.649 674 HB3 LEU 81 HB1 LEU 81 -8.220 -27.772 10.065 675 HG LEU 81 HG LEU 81 -6.541 -29.355 9.315 676 HD11 LEU 81 HD11 LEU 81 -7.091 -27.689 6.864 677 HD12 LEU 81 HD12 LEU 81 -8.413 -28.483 7.722 678 HD13 LEU 81 HD13 LEU 81 -7.103 -29.442 7.035 679 HD21 LEU 81 HD21 LEU 81 -4.782 -27.225 9.283 680 HD22 LEU 81 HD22 LEU 81 -5.075 -27.460 7.563 681 HD23 LEU 81 HD23 LEU 81 -4.464 -28.792 8.542 682 H GLY 82 HN GLY 82 -9.725 -25.488 10.053 683 HA2 GLY 82 HA2 GLY 82 -11.420 -26.546 8.045 684 HA3 GLY 82 HA1 GLY 82 -11.907 -25.414 9.305 685 H LEU 83 HN LEU 83 -9.293 -24.181 7.616 686 HA LEU 83 HA LEU 83 -9.034 -22.465 6.125 687 HB2 LEU 83 HB2 LEU 83 -11.560 -23.560 4.866 688 HB3 LEU 83 HB1 LEU 83 -10.336 -22.557 4.088 689 HG LEU 83 HG LEU 83 -9.884 -25.340 5.207 690 HD11 LEU 83 HD11 LEU 83 -10.060 -24.321 2.356 691 HD12 LEU 83 HD12 LEU 83 -11.225 -25.372 3.160 692 HD13 LEU 83 HD13 LEU 83 -9.598 -25.959 2.819 693 HD21 LEU 83 HD21 LEU 83 -7.792 -24.289 5.397 694 HD22 LEU 83 HD22 LEU 83 -8.060 -23.268 3.983 695 HD23 LEU 83 HD23 LEU 83 -7.702 -24.983 3.781 696 H GLU 84 HN GLU 84 -10.204 -21.753 8.497 697 HA GLU 84 HA GLU 84 -12.650 -20.342 8.230 698 HB2 GLU 84 HB2 GLU 84 -10.354 -19.976 10.172 699 HB3 GLU 84 HB1 GLU 84 -11.930 -19.200 10.327 700 HG2 GLU 84 HG2 GLU 84 -11.515 -22.198 10.181 701 HG3 GLU 84 HG1 GLU 84 -11.726 -21.299 11.682 702 H HIS 85 HN HIS 85 -13.095 -18.348 7.492 703 HA HIS 85 HA HIS 85 -12.818 -16.343 6.409 704 HB2 HIS 85 HB2 HIS 85 -11.737 -15.787 8.595 705 HB3 HIS 85 HB1 HIS 85 -10.184 -16.246 7.896 706 HD2 HIS 85 HD2 HIS 85 -8.924 -14.076 6.766 707 HE1 HIS 85 HE1 HIS 85 -12.345 -11.760 5.897 708 HE2 HIS 85 HE2 HIS 85 -9.807 -11.818 5.798 709 H HIS 86 HN HIS 86 -12.583 -17.772 4.478 710 HA HIS 86 HA HIS 86 -10.129 -17.072 3.048 711 HB2 HIS 86 HB2 HIS 86 -10.958 -19.875 3.734 712 HB3 HIS 86 HB1 HIS 86 -10.208 -19.585 2.166 713 HD2 HIS 86 HD2 HIS 86 -9.159 -19.895 5.883 714 HE1 HIS 86 HE1 HIS 86 -5.768 -18.556 3.758 715 HE2 HIS 86 HE2 HIS 86 -6.590 -19.442 5.990 716 H HIS 87 HN HIS 87 -10.368 -17.961 0.690 717 HA HIS 87 HA HIS 87 -12.730 -16.770 -0.385 718 HB2 HIS 87 HB2 HIS 87 -10.577 -18.437 -1.706 719 HB3 HIS 87 HB1 HIS 87 -11.824 -17.534 -2.566 720 HD2 HIS 87 HD2 HIS 87 -11.552 -14.657 -2.355 721 HE1 HIS 87 HE1 HIS 87 -7.621 -14.796 -0.822 722 HE2 HIS 87 HE2 HIS 87 -9.406 -13.277 -1.800 723 H HIS 88 HN HIS 88 -14.280 -17.826 -1.778 724 HA HIS 88 HA HIS 88 -15.312 -20.238 -0.621 725 HB2 HIS 88 HB2 HIS 88 -16.136 -18.602 -3.028 726 HB3 HIS 88 HB1 HIS 88 -17.016 -20.025 -2.473 727 HD2 HIS 88 HD2 HIS 88 -16.844 -16.273 -1.694 728 HE1 HIS 88 HE1 HIS 88 -18.841 -18.060 1.570 729 HE2 HIS 88 HE2 HIS 88 -18.251 -15.850 0.464 730 H HIS 89 HN HIS 89 -12.999 -19.591 -2.982 731 HA HIS 89 HA HIS 89 -13.436 -21.777 -4.764 732 HB2 HIS 89 HB2 HIS 89 -12.104 -19.799 -5.374 733 HB3 HIS 89 HB1 HIS 89 -10.906 -20.232 -4.156 734 HD2 HIS 89 HD2 HIS 89 -12.196 -21.611 -7.633 735 HE1 HIS 89 HE1 HIS 89 -8.534 -23.495 -6.695 736 HE2 HIS 89 HE2 HIS 89 -10.317 -23.214 -8.483 737 H HIS 90 HN HIS 90 -12.901 -23.865 -4.573 738 HA HIS 90 HA HIS 90 -12.234 -25.833 -3.586 739 HB2 HIS 90 HB2 HIS 90 -10.064 -24.939 -4.469 740 HB3 HIS 90 HB1 HIS 90 -9.758 -24.243 -2.877 741 HD2 HIS 90 HD2 HIS 90 -9.689 -27.734 -4.630 742 HE1 HIS 90 HE1 HIS 90 -8.625 -28.318 -0.586 743 HE2 HIS 90 HE2 HIS 90 -8.786 -29.431 -2.864 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -3.200 -13.337 23.516 2 H2 MET 1 HT2 MET 1 -4.796 -13.920 23.532 3 H3 MET 1 HT3 MET 1 -3.760 -14.301 22.239 4 HA MET 1 HA MET 1 -2.290 -15.321 24.121 5 HB2 MET 1 HB2 MET 1 -5.117 -15.473 25.220 6 HB3 MET 1 HB1 MET 1 -3.704 -16.282 25.897 7 HG2 MET 1 HG2 MET 1 -4.036 -13.281 25.612 8 HG3 MET 1 HG1 MET 1 -4.214 -14.184 27.114 9 HE1 MET 1 HE1 MET 1 -2.651 -15.607 28.095 10 HE2 MET 1 HE2 MET 1 -0.910 -15.351 28.168 11 HE3 MET 1 HE3 MET 1 -1.591 -16.371 26.904 12 H GLY 2 HN GLY 2 -5.513 -15.809 22.725 13 HA2 GLY 2 HA2 GLY 2 -5.366 -18.606 22.401 14 HA3 GLY 2 HA1 GLY 2 -6.391 -17.524 21.465 15 H VAL 3 HN VAL 3 -5.496 -16.511 19.567 16 HA VAL 3 HA VAL 3 -3.952 -18.275 17.975 17 HB VAL 3 HB VAL 3 -5.582 -16.717 17.003 18 HG11 VAL 3 HG11 VAL 3 -4.989 -14.874 18.675 19 HG12 VAL 3 HG12 VAL 3 -5.259 -14.359 17.011 20 HG13 VAL 3 HG13 VAL 3 -3.616 -14.512 17.630 21 HG21 VAL 3 HG21 VAL 3 -3.516 -17.534 15.735 22 HG22 VAL 3 HG22 VAL 3 -2.803 -15.959 16.071 23 HG23 VAL 3 HG23 VAL 3 -4.272 -16.075 15.104 24 H TRP 4 HN TRP 4 -3.169 -15.352 19.786 25 HA TRP 4 HA TRP 4 -0.381 -15.417 18.895 26 HB2 TRP 4 HB2 TRP 4 -1.906 -13.531 20.703 27 HB3 TRP 4 HB1 TRP 4 -0.198 -13.357 20.298 28 HD1 TRP 4 HD1 TRP 4 0.098 -13.682 17.382 29 HE1 TRP 4 HE1 TRP 4 -1.160 -12.269 15.630 30 HE3 TRP 4 HE3 TRP 4 -3.834 -12.063 20.211 31 HZ2 TRP 4 HZ2 TRP 4 -3.522 -10.667 15.452 32 HZ3 TRP 4 HZ3 TRP 4 -5.573 -10.597 19.225 33 HH2 TRP 4 HH2 TRP 4 -5.422 -9.898 16.851 34 H THR 5 HN THR 5 1.342 -15.830 20.207 35 HA THR 5 HA THR 5 1.110 -16.310 23.018 36 HB THR 5 HB THR 5 1.806 -18.760 21.403 37 HG1 THR 5 HG1 THR 5 -0.700 -18.411 22.596 38 HG21 THR 5 HG21 THR 5 0.684 -18.493 24.200 39 HG22 THR 5 HG22 THR 5 2.416 -18.460 23.866 40 HG23 THR 5 HG23 THR 5 1.471 -19.898 23.477 41 HA PRO 6 HA PRO 6 5.315 -15.548 20.851 42 HB2 PRO 6 HB2 PRO 6 5.594 -12.911 21.632 43 HB3 PRO 6 HB1 PRO 6 4.863 -13.405 20.090 44 HG2 PRO 6 HG2 PRO 6 3.519 -12.681 22.664 45 HG3 PRO 6 HG1 PRO 6 3.126 -12.163 21.015 46 HD2 PRO 6 HD2 PRO 6 1.720 -14.118 22.202 47 HD3 PRO 6 HD1 PRO 6 2.126 -14.209 20.471 48 H GLU 7 HN GLU 7 7.280 -14.502 22.106 49 HA GLU 7 HA GLU 7 7.873 -15.962 24.340 50 HB2 GLU 7 HB2 GLU 7 9.486 -14.536 23.065 51 HB3 GLU 7 HB1 GLU 7 8.816 -13.122 23.881 52 HG2 GLU 7 HG2 GLU 7 9.463 -14.000 26.051 53 HG3 GLU 7 HG1 GLU 7 9.991 -15.515 25.323 54 H VAL 8 HN VAL 8 5.667 -13.361 24.118 55 HA VAL 8 HA VAL 8 5.705 -12.198 26.634 56 HB VAL 8 HB VAL 8 3.290 -12.936 24.962 57 HG11 VAL 8 HG11 VAL 8 2.506 -12.416 27.148 58 HG12 VAL 8 HG12 VAL 8 2.314 -10.933 26.214 59 HG13 VAL 8 HG13 VAL 8 3.668 -11.101 27.332 60 HG21 VAL 8 HG21 VAL 8 4.749 -10.290 25.156 61 HG22 VAL 8 HG22 VAL 8 3.507 -10.752 23.991 62 HG23 VAL 8 HG23 VAL 8 5.108 -11.488 23.912 63 H LEU 9 HN LEU 9 4.233 -15.258 25.595 64 HA LEU 9 HA LEU 9 2.914 -15.877 27.994 65 HB2 LEU 9 HB2 LEU 9 2.534 -17.135 25.922 66 HB3 LEU 9 HB1 LEU 9 4.187 -17.741 25.969 67 HG LEU 9 HG LEU 9 3.721 -18.893 28.101 68 HD11 LEU 9 HD11 LEU 9 2.104 -17.668 29.245 69 HD12 LEU 9 HD12 LEU 9 1.128 -19.003 28.638 70 HD13 LEU 9 HD13 LEU 9 1.100 -17.443 27.814 71 HD21 LEU 9 HD21 LEU 9 2.380 -20.655 27.204 72 HD22 LEU 9 HD22 LEU 9 3.223 -19.940 25.831 73 HD23 LEU 9 HD23 LEU 9 1.527 -19.552 26.122 74 H LYS 10 HN LYS 10 6.186 -16.693 26.874 75 HA LYS 10 HA LYS 10 6.950 -18.063 29.250 76 HB2 LYS 10 HB2 LYS 10 8.513 -16.818 26.991 77 HB3 LYS 10 HB1 LYS 10 9.292 -17.629 28.351 78 HG2 LYS 10 HG2 LYS 10 8.123 -19.692 27.868 79 HG3 LYS 10 HG1 LYS 10 7.171 -18.907 26.611 80 HD2 LYS 10 HD2 LYS 10 8.866 -20.010 25.399 81 HD3 LYS 10 HD1 LYS 10 9.458 -18.353 25.510 82 HE2 LYS 10 HE2 LYS 10 11.211 -20.049 26.028 83 HE3 LYS 10 HE1 LYS 10 10.906 -18.965 27.383 84 HZ1 LYS 10 HZ1 LYS 10 10.242 -20.661 28.626 85 HZ2 LYS 10 HZ2 LYS 10 10.795 -21.707 27.408 86 HZ3 LYS 10 HZ3 LYS 10 9.169 -21.215 27.435 87 H ALA 11 HN ALA 11 7.264 -14.738 28.124 88 HA ALA 11 HA ALA 11 8.933 -13.769 30.164 89 HB1 ALA 11 HB1 ALA 11 8.304 -11.598 29.458 90 HB2 ALA 11 HB2 ALA 11 6.736 -12.154 28.874 91 HB3 ALA 11 HB3 ALA 11 8.206 -12.592 28.004 92 H ARG 12 HN ARG 12 5.477 -14.351 30.025 93 HA ARG 12 HA ARG 12 4.983 -13.069 32.589 94 HB2 ARG 12 HB2 ARG 12 3.227 -14.722 30.761 95 HB3 ARG 12 HB1 ARG 12 2.669 -13.938 32.237 96 HG2 ARG 12 HG2 ARG 12 4.088 -12.312 30.130 97 HG3 ARG 12 HG1 ARG 12 2.382 -12.702 29.930 98 HD2 ARG 12 HD2 ARG 12 1.858 -11.671 32.082 99 HD3 ARG 12 HD1 ARG 12 3.558 -11.337 32.375 100 HE ARG 12 HE ARG 12 1.795 -9.921 30.530 101 HH11 ARG 12 HH21 ARG 12 5.006 -10.592 31.640 102 HH12 ARG 12 HH22 ARG 12 5.678 -9.127 31.007 103 HH21 ARG 12 HH11 ARG 12 2.669 -8.002 29.700 104 HH22 ARG 12 HH12 ARG 12 4.356 -7.662 29.907 105 H ALA 13 HN ALA 13 4.781 -16.380 31.290 106 HA ALA 13 HA ALA 13 4.279 -17.609 33.793 107 HB1 ALA 13 HB1 ALA 13 3.797 -18.732 31.672 108 HB2 ALA 13 HB2 ALA 13 4.909 -19.699 32.640 109 HB3 ALA 13 HB3 ALA 13 5.517 -18.755 31.281 110 H SER 14 HN SER 14 7.247 -17.104 31.926 111 HA SER 14 HA SER 14 8.890 -18.187 34.092 112 HB2 SER 14 HB2 SER 14 9.237 -18.492 31.500 113 HB3 SER 14 HB1 SER 14 10.039 -16.929 31.621 114 HG SER 14 HG SER 14 11.035 -19.271 32.199 115 H VAL 15 HN VAL 15 7.388 -15.352 33.582 116 HA VAL 15 HA VAL 15 7.634 -13.247 34.452 117 HB VAL 15 HB VAL 15 10.096 -14.257 35.880 118 HG11 VAL 15 HG11 VAL 15 9.394 -12.584 37.547 119 HG12 VAL 15 HG12 VAL 15 8.011 -12.158 36.539 120 HG13 VAL 15 HG13 VAL 15 9.649 -11.839 35.970 121 HG21 VAL 15 HG21 VAL 15 8.413 -14.772 37.735 122 HG22 VAL 15 HG22 VAL 15 8.408 -15.885 36.369 123 HG23 VAL 15 HG23 VAL 15 7.158 -14.648 36.501 124 H ILE 16 HN ILE 16 10.944 -14.499 33.944 125 HA ILE 16 HA ILE 16 11.516 -12.101 32.301 126 HB ILE 16 HB ILE 16 13.431 -13.879 33.832 127 HG12 ILE 16 HG12 ILE 16 11.801 -12.257 35.113 128 HG13 ILE 16 HG11 ILE 16 13.513 -12.241 35.516 129 HG21 ILE 16 HG21 ILE 16 14.636 -12.990 32.000 130 HG22 ILE 16 HG22 ILE 16 14.966 -11.857 33.309 131 HG23 ILE 16 HG23 ILE 16 13.778 -11.452 32.071 132 HD11 ILE 16 HD11 ILE 16 12.334 -9.954 35.132 133 HD12 ILE 16 HD12 ILE 16 12.417 -10.362 33.420 134 HD13 ILE 16 HD13 ILE 16 13.897 -10.223 34.361 135 H GLY 17 HN GLY 17 11.622 -12.447 30.220 136 HA2 GLY 17 HA2 GLY 17 11.586 -15.009 29.020 137 HA3 GLY 17 HA1 GLY 17 11.898 -13.486 28.188 138 H LYS 18 HN LYS 18 13.185 -16.240 28.114 139 HA LYS 18 HA LYS 18 15.841 -15.394 27.630 140 HB2 LYS 18 HB2 LYS 18 16.946 -16.706 29.443 141 HB3 LYS 18 HB1 LYS 18 16.078 -15.287 30.025 142 HG2 LYS 18 HG2 LYS 18 14.094 -16.803 30.479 143 HG3 LYS 18 HG1 LYS 18 15.143 -18.171 30.121 144 HD2 LYS 18 HD2 LYS 18 15.959 -16.114 32.177 145 HD3 LYS 18 HD1 LYS 18 14.873 -17.433 32.606 146 HE2 LYS 18 HE2 LYS 18 17.633 -17.761 31.388 147 HE3 LYS 18 HE1 LYS 18 17.215 -18.040 33.078 148 HZ1 LYS 18 HZ1 LYS 18 16.741 -19.697 30.772 149 HZ2 LYS 18 HZ2 LYS 18 15.377 -19.509 31.767 150 HZ3 LYS 18 HZ3 LYS 18 16.825 -20.119 32.413 151 HA PRO 19 HA PRO 19 14.135 -19.600 26.168 152 HB2 PRO 19 HB2 PRO 19 13.939 -18.875 23.494 153 HB3 PRO 19 HB1 PRO 19 12.597 -18.797 24.651 154 HG2 PRO 19 HG2 PRO 19 14.420 -16.622 23.730 155 HG3 PRO 19 HG1 PRO 19 12.667 -16.584 23.993 156 HD2 PRO 19 HD2 PRO 19 14.376 -15.541 25.803 157 HD3 PRO 19 HD1 PRO 19 12.888 -16.374 26.311 158 H ILE 20 HN ILE 20 15.536 -21.137 25.443 159 HA ILE 20 HA ILE 20 18.245 -20.302 24.764 160 HB ILE 20 HB ILE 20 18.638 -22.824 24.826 161 HG12 ILE 20 HG12 ILE 20 16.054 -23.006 26.360 162 HG13 ILE 20 HG11 ILE 20 15.971 -23.066 24.600 163 HG21 ILE 20 HG21 ILE 20 18.597 -22.849 27.300 164 HG22 ILE 20 HG22 ILE 20 17.560 -21.422 27.293 165 HG23 ILE 20 HG23 ILE 20 19.213 -21.315 26.686 166 HD11 ILE 20 HD11 ILE 20 16.234 -25.310 25.846 167 HD12 ILE 20 HD12 ILE 20 17.903 -24.808 26.124 168 HD13 ILE 20 HD13 ILE 20 17.303 -25.006 24.477 169 H GLY 21 HN GLY 21 19.176 -20.459 22.798 170 HA2 GLY 21 HA2 GLY 21 17.510 -20.836 20.501 171 HA3 GLY 21 HA1 GLY 21 19.251 -20.576 20.491 172 H GLU 22 HN GLU 22 16.784 -22.812 19.977 173 HA GLU 22 HA GLU 22 18.547 -24.830 19.092 174 HB2 GLU 22 HB2 GLU 22 18.579 -24.947 21.757 175 HB3 GLU 22 HB1 GLU 22 17.071 -25.821 21.516 176 HG2 GLU 22 HG2 GLU 22 18.258 -27.368 19.955 177 HG3 GLU 22 HG1 GLU 22 19.756 -26.508 20.287 178 H SER 23 HN SER 23 16.611 -26.970 19.998 179 HA SER 23 HA SER 23 14.786 -26.735 17.794 180 HB2 SER 23 HB2 SER 23 13.958 -28.930 18.570 181 HB3 SER 23 HB1 SER 23 15.712 -28.910 18.405 182 HG SER 23 HG SER 23 15.673 -28.328 20.727 183 H TYR 24 HN TYR 24 14.611 -26.392 21.293 184 HA TYR 24 HA TYR 24 11.793 -26.327 21.524 185 HB2 TYR 24 HB2 TYR 24 13.946 -25.079 23.242 186 HB3 TYR 24 HB1 TYR 24 12.237 -25.133 23.677 187 HD1 TYR 24 HD1 TYR 24 15.276 -27.149 23.097 188 HD2 TYR 24 HD2 TYR 24 11.154 -27.215 24.306 189 HE1 TYR 24 HE1 TYR 24 15.565 -29.458 23.956 190 HE2 TYR 24 HE2 TYR 24 11.444 -29.523 25.165 191 HH TYR 24 HH TYR 24 14.441 -31.313 24.650 192 H LYS 25 HN LYS 25 14.147 -23.955 20.546 193 HA LYS 25 HA LYS 25 12.358 -21.699 20.799 194 HB2 LYS 25 HB2 LYS 25 14.864 -21.542 20.955 195 HB3 LYS 25 HB1 LYS 25 14.941 -21.890 19.229 196 HG2 LYS 25 HG2 LYS 25 13.661 -19.906 18.714 197 HG3 LYS 25 HG1 LYS 25 13.370 -19.597 20.426 198 HD2 LYS 25 HD2 LYS 25 15.797 -19.295 20.775 199 HD3 LYS 25 HD1 LYS 25 16.077 -19.586 19.057 200 HE2 LYS 25 HE2 LYS 25 14.704 -17.623 18.490 201 HE3 LYS 25 HE1 LYS 25 14.389 -17.341 20.203 202 HZ1 LYS 25 HZ1 LYS 25 16.586 -16.770 20.599 203 HZ2 LYS 25 HZ2 LYS 25 16.274 -16.046 19.093 204 HZ3 LYS 25 HZ3 LYS 25 17.149 -17.500 19.175 205 H ARG 26 HN ARG 26 12.632 -24.253 18.636 206 HA ARG 26 HA ARG 26 12.179 -23.005 16.161 207 HB2 ARG 26 HB2 ARG 26 12.838 -25.369 16.413 208 HB3 ARG 26 HB1 ARG 26 11.255 -25.725 17.100 209 HG2 ARG 26 HG2 ARG 26 11.297 -26.303 14.711 210 HG3 ARG 26 HG1 ARG 26 10.174 -24.977 14.999 211 HD2 ARG 26 HD2 ARG 26 11.537 -23.415 13.951 212 HD3 ARG 26 HD1 ARG 26 13.017 -24.297 14.320 213 HE ARG 26 HE ARG 26 11.645 -25.921 12.577 214 HH11 ARG 26 HH21 ARG 26 12.775 -22.651 12.644 215 HH12 ARG 26 HH22 ARG 26 13.028 -22.558 10.934 216 HH21 ARG 26 HH11 ARG 26 11.976 -25.810 10.342 217 HH22 ARG 26 HH12 ARG 26 12.574 -24.350 9.628 218 H ILE 27 HN ILE 27 9.948 -24.236 18.627 219 HA ILE 27 HA ILE 27 7.593 -23.686 17.183 220 HB ILE 27 HB ILE 27 6.603 -23.639 19.616 221 HG12 ILE 27 HG12 ILE 27 9.302 -24.876 20.199 222 HG13 ILE 27 HG11 ILE 27 8.976 -23.174 20.524 223 HG21 ILE 27 HG21 ILE 27 6.431 -25.565 18.091 224 HG22 ILE 27 HG22 ILE 27 6.778 -26.106 19.733 225 HG23 ILE 27 HG23 ILE 27 8.064 -26.068 18.528 226 HD11 ILE 27 HD11 ILE 27 8.588 -24.694 22.494 227 HD12 ILE 27 HD12 ILE 27 7.268 -25.434 21.587 228 HD13 ILE 27 HD13 ILE 27 7.186 -23.729 22.035 229 H LEU 28 HN LEU 28 9.455 -21.807 19.507 230 HA LEU 28 HA LEU 28 7.704 -19.600 19.688 231 HB2 LEU 28 HB2 LEU 28 10.685 -19.861 20.103 232 HB3 LEU 28 HB1 LEU 28 9.789 -18.383 20.455 233 HG LEU 28 HG LEU 28 9.124 -21.096 21.640 234 HD11 LEU 28 HD11 LEU 28 10.461 -18.809 23.093 235 HD12 LEU 28 HD12 LEU 28 11.396 -20.074 22.295 236 HD13 LEU 28 HD13 LEU 28 10.298 -20.488 23.609 237 HD21 LEU 28 HD21 LEU 28 7.157 -19.884 21.906 238 HD22 LEU 28 HD22 LEU 28 7.982 -18.326 21.909 239 HD23 LEU 28 HD23 LEU 28 8.012 -19.344 23.346 240 H ALA 29 HN ALA 29 10.473 -20.276 17.587 241 HA ALA 29 HA ALA 29 10.399 -17.776 16.228 242 HB1 ALA 29 HB1 ALA 29 11.522 -20.415 15.261 243 HB2 ALA 29 HB2 ALA 29 12.389 -19.265 16.278 244 HB3 ALA 29 HB3 ALA 29 11.919 -18.813 14.639 245 H LYS 30 HN LYS 30 8.920 -20.919 15.674 246 HA LYS 30 HA LYS 30 7.943 -20.424 13.075 247 HB2 LYS 30 HB2 LYS 30 8.045 -22.645 14.418 248 HB3 LYS 30 HB1 LYS 30 6.482 -22.151 15.061 249 HG2 LYS 30 HG2 LYS 30 5.710 -23.263 13.184 250 HG3 LYS 30 HG1 LYS 30 6.011 -21.697 12.433 251 HD2 LYS 30 HD2 LYS 30 7.154 -23.129 10.977 252 HD3 LYS 30 HD1 LYS 30 8.447 -22.653 12.073 253 HE2 LYS 30 HE2 LYS 30 7.766 -24.742 13.450 254 HE3 LYS 30 HE1 LYS 30 6.905 -25.238 11.997 255 HZ1 LYS 30 HZ1 LYS 30 8.894 -26.138 11.522 256 HZ2 LYS 30 HZ2 LYS 30 9.763 -25.037 12.480 257 HZ3 LYS 30 HZ3 LYS 30 9.221 -24.581 10.935 258 H LEU 31 HN LEU 31 6.762 -19.611 16.251 259 HA LEU 31 HA LEU 31 4.104 -18.992 15.634 260 HB2 LEU 31 HB2 LEU 31 5.323 -19.100 17.928 261 HB3 LEU 31 HB1 LEU 31 5.714 -17.408 17.623 262 HG LEU 31 HG LEU 31 3.096 -17.261 17.066 263 HD11 LEU 31 HD11 LEU 31 3.048 -19.376 19.223 264 HD12 LEU 31 HD12 LEU 31 2.987 -19.826 17.521 265 HD13 LEU 31 HD13 LEU 31 1.724 -18.803 18.204 266 HD21 LEU 31 HD21 LEU 31 4.235 -17.377 19.876 267 HD22 LEU 31 HD22 LEU 31 2.704 -16.627 19.433 268 HD23 LEU 31 HD23 LEU 31 4.215 -15.966 18.817 269 H GLN 32 HN GLN 32 7.079 -17.142 15.290 270 HA GLN 32 HA GLN 32 6.121 -14.588 14.859 271 HB2 GLN 32 HB2 GLN 32 8.379 -16.020 13.444 272 HB3 GLN 32 HB1 GLN 32 8.114 -14.278 13.397 273 HG2 GLN 32 HG2 GLN 32 8.462 -15.851 15.958 274 HG3 GLN 32 HG1 GLN 32 9.784 -15.022 15.137 275 HE21 GLN 32 HE21 GLN 32 8.053 -14.547 17.773 276 HE22 GLN 32 HE22 GLN 32 7.758 -12.878 17.699 277 H ARG 33 HN ARG 33 6.399 -17.260 12.525 278 HA ARG 33 HA ARG 33 5.477 -15.820 10.269 279 HB2 ARG 33 HB2 ARG 33 5.453 -18.766 10.931 280 HB3 ARG 33 HB1 ARG 33 4.910 -18.124 9.379 281 HG2 ARG 33 HG2 ARG 33 7.129 -17.028 9.093 282 HG3 ARG 33 HG1 ARG 33 7.663 -17.782 10.597 283 HD2 ARG 33 HD2 ARG 33 7.248 -20.008 9.647 284 HD3 ARG 33 HD1 ARG 33 6.675 -19.275 8.150 285 HE ARG 33 HE ARG 33 9.345 -18.439 8.884 286 HH11 ARG 33 HH21 ARG 33 7.406 -20.852 7.345 287 HH12 ARG 33 HH22 ARG 33 8.668 -21.394 6.290 288 HH21 ARG 33 HH11 ARG 33 11.010 -19.141 7.503 289 HH22 ARG 33 HH12 ARG 33 10.710 -20.425 6.379 290 H ILE 34 HN ILE 34 3.813 -17.687 12.758 291 HA ILE 34 HA ILE 34 1.249 -17.684 11.588 292 HB ILE 34 HB ILE 34 1.888 -17.624 14.547 293 HG12 ILE 34 HG12 ILE 34 1.868 -19.904 12.551 294 HG13 ILE 34 HG11 ILE 34 3.233 -19.357 13.511 295 HG21 ILE 34 HG21 ILE 34 -0.229 -18.699 14.828 296 HG22 ILE 34 HG22 ILE 34 -0.378 -19.022 13.103 297 HG23 ILE 34 HG23 ILE 34 -0.538 -17.375 13.708 298 HD11 ILE 34 HD11 ILE 34 1.745 -19.880 15.562 299 HD12 ILE 34 HD12 ILE 34 2.433 -21.246 14.685 300 HD13 ILE 34 HD13 ILE 34 0.748 -20.793 14.434 301 H HIS 35 HN HIS 35 2.875 -15.389 13.752 302 HA HIS 35 HA HIS 35 0.727 -13.700 14.302 303 HB2 HIS 35 HB2 HIS 35 2.949 -13.543 15.382 304 HB3 HIS 35 HB1 HIS 35 3.620 -12.923 13.874 305 HD2 HIS 35 HD2 HIS 35 1.389 -11.681 16.840 306 HE1 HIS 35 HE1 HIS 35 1.980 -8.427 14.216 307 HE2 HIS 35 HE2 HIS 35 1.061 -9.116 16.481 308 H ASN 36 HN ASN 36 3.188 -13.280 11.739 309 HA ASN 36 HA ASN 36 1.649 -11.199 10.457 310 HB2 ASN 36 HB2 ASN 36 4.201 -12.653 9.774 311 HB3 ASN 36 HB1 ASN 36 3.462 -11.501 8.662 312 HD21 ASN 36 HD21 ASN 36 6.024 -10.993 9.831 313 HD22 ASN 36 HD22 ASN 36 5.873 -9.674 10.889 314 H SER 37 HN SER 37 2.510 -14.553 9.683 315 HA SER 37 HA SER 37 0.881 -14.581 7.296 316 HB2 SER 37 HB2 SER 37 1.829 -16.643 6.852 317 HB3 SER 37 HB1 SER 37 3.069 -15.961 7.899 318 HG SER 37 HG SER 37 2.687 -17.754 8.960 319 H ASN 38 HN ASN 38 -0.239 -14.175 10.133 320 HA ASN 38 HA ASN 38 -1.720 -16.257 11.094 321 HB2 ASN 38 HB2 ASN 38 -1.738 -13.947 12.016 322 HB3 ASN 38 HB1 ASN 38 -2.761 -13.446 10.671 323 HD21 ASN 38 HD21 ASN 38 -2.815 -16.325 12.851 324 HD22 ASN 38 HD22 ASN 38 -4.445 -16.135 13.287 325 H ILE 39 HN ILE 39 -3.034 -17.658 10.197 326 HA ILE 39 HA ILE 39 -4.465 -18.666 8.712 327 HB ILE 39 HB ILE 39 -5.745 -15.942 8.515 328 HG12 ILE 39 HG12 ILE 39 -6.089 -18.041 10.653 329 HG13 ILE 39 HG11 ILE 39 -5.256 -16.508 10.880 330 HG21 ILE 39 HG21 ILE 39 -7.790 -17.292 8.255 331 HG22 ILE 39 HG22 ILE 39 -6.841 -18.769 8.439 332 HG23 ILE 39 HG23 ILE 39 -6.601 -17.732 7.031 333 HD11 ILE 39 HD11 ILE 39 -7.481 -16.175 11.690 334 HD12 ILE 39 HD12 ILE 39 -8.182 -16.949 10.269 335 HD13 ILE 39 HD13 ILE 39 -7.405 -15.373 10.120 336 H LEU 40 HN LEU 40 -2.455 -18.610 7.272 337 HA LEU 40 HA LEU 40 -3.038 -17.057 4.812 338 HB2 LEU 40 HB2 LEU 40 -0.912 -16.390 5.951 339 HB3 LEU 40 HB1 LEU 40 -0.328 -18.038 5.743 340 HG LEU 40 HG LEU 40 -0.620 -17.816 3.286 341 HD11 LEU 40 HD11 LEU 40 -0.775 -15.239 2.597 342 HD12 LEU 40 HD12 LEU 40 -1.673 -15.130 4.113 343 HD13 LEU 40 HD13 LEU 40 -2.227 -16.208 2.832 344 HD21 LEU 40 HD21 LEU 40 1.065 -15.553 4.376 345 HD22 LEU 40 HD22 LEU 40 1.358 -16.528 2.936 346 HD23 LEU 40 HD23 LEU 40 1.523 -17.250 4.536 347 H ASP 41 HN ASP 41 -2.821 -18.103 2.830 348 HA ASP 41 HA ASP 41 -3.701 -20.706 2.634 349 HB2 ASP 41 HB2 ASP 41 -2.034 -19.082 0.720 350 HB3 ASP 41 HB1 ASP 41 -2.721 -20.650 0.304 351 H GLU 42 HN GLU 42 -0.346 -19.571 2.557 352 HA GLU 42 HA GLU 42 0.740 -22.210 2.274 353 HB2 GLU 42 HB2 GLU 42 1.943 -19.570 3.083 354 HB3 GLU 42 HB1 GLU 42 2.884 -21.043 2.852 355 HG2 GLU 42 HG2 GLU 42 1.098 -19.806 0.739 356 HG3 GLU 42 HG1 GLU 42 2.842 -19.564 0.827 357 H ARG 43 HN ARG 43 0.493 -19.922 4.992 358 HA ARG 43 HA ARG 43 1.712 -21.587 6.921 359 HB2 ARG 43 HB2 ARG 43 1.236 -19.105 7.111 360 HB3 ARG 43 HB1 ARG 43 -0.436 -19.548 7.471 361 HG2 ARG 43 HG2 ARG 43 1.037 -21.200 9.184 362 HG3 ARG 43 HG1 ARG 43 1.947 -19.697 9.203 363 HD2 ARG 43 HD2 ARG 43 0.238 -19.693 10.954 364 HD3 ARG 43 HD1 ARG 43 -0.110 -18.457 9.757 365 HE ARG 43 HE ARG 43 -1.462 -20.792 8.992 366 HH11 ARG 43 HH21 ARG 43 -1.395 -18.481 11.560 367 HH12 ARG 43 HH22 ARG 43 -3.078 -18.646 11.939 368 HH21 ARG 43 HH11 ARG 43 -3.670 -21.016 9.478 369 HH22 ARG 43 HH12 ARG 43 -4.367 -20.082 10.760 370 H GLN 44 HN GLN 44 -1.689 -21.184 5.979 371 HA GLN 44 HA GLN 44 -3.029 -22.612 7.872 372 HB2 GLN 44 HB2 GLN 44 -3.369 -22.365 4.902 373 HB3 GLN 44 HB1 GLN 44 -4.378 -23.522 5.763 374 HG2 GLN 44 HG2 GLN 44 -5.229 -21.786 7.217 375 HG3 GLN 44 HG1 GLN 44 -4.123 -20.601 6.525 376 HE21 GLN 44 HE21 GLN 44 -6.525 -19.641 6.228 377 HE22 GLN 44 HE22 GLN 44 -7.228 -19.964 4.717 378 H GLY 45 HN GLY 45 -1.050 -23.930 5.260 379 HA2 GLY 45 HA2 GLY 45 -1.664 -26.666 5.821 380 HA3 GLY 45 HA1 GLY 45 -0.337 -26.081 4.818 381 H LEU 46 HN LEU 46 0.747 -24.366 6.909 382 HA LEU 46 HA LEU 46 2.521 -26.207 8.108 383 HB2 LEU 46 HB2 LEU 46 3.238 -23.928 7.693 384 HB3 LEU 46 HB1 LEU 46 1.985 -23.297 8.756 385 HG LEU 46 HG LEU 46 3.004 -24.367 10.678 386 HD11 LEU 46 HD11 LEU 46 3.971 -26.382 9.947 387 HD12 LEU 46 HD12 LEU 46 5.391 -25.381 10.229 388 HD13 LEU 46 HD13 LEU 46 4.787 -25.609 8.589 389 HD21 LEU 46 HD21 LEU 46 4.854 -22.958 10.910 390 HD22 LEU 46 HD22 LEU 46 3.848 -22.129 9.730 391 HD23 LEU 46 HD23 LEU 46 5.265 -23.040 9.200 392 H MET 47 HN MET 47 -0.473 -24.764 9.185 393 HA MET 47 HA MET 47 -0.263 -25.209 11.937 394 HB2 MET 47 HB2 MET 47 -2.584 -25.060 10.029 395 HB3 MET 47 HB1 MET 47 -2.859 -25.435 11.728 396 HG2 MET 47 HG2 MET 47 -3.005 -22.969 11.084 397 HG3 MET 47 HG1 MET 47 -1.935 -23.344 12.433 398 HE1 MET 47 HE1 MET 47 -0.203 -21.436 12.409 399 HE2 MET 47 HE2 MET 47 1.258 -21.888 11.533 400 HE3 MET 47 HE3 MET 47 0.434 -23.077 12.533 401 H HIS 48 HN HIS 48 -1.297 -27.385 9.343 402 HA HIS 48 HA HIS 48 -2.188 -29.493 10.992 403 HB2 HIS 48 HB2 HIS 48 -2.692 -29.375 8.598 404 HB3 HIS 48 HB1 HIS 48 -0.985 -29.606 8.218 405 HD2 HIS 48 HD2 HIS 48 -4.085 -31.748 8.991 406 HE1 HIS 48 HE1 HIS 48 -0.750 -34.324 9.252 407 HE2 HIS 48 HE2 HIS 48 -3.287 -34.228 9.177 408 H GLU 49 HN GLU 49 0.968 -28.988 9.406 409 HA GLU 49 HA GLU 49 2.168 -31.283 10.618 410 HB2 GLU 49 HB2 GLU 49 3.242 -28.897 9.120 411 HB3 GLU 49 HB1 GLU 49 4.326 -30.086 9.840 412 HG2 GLU 49 HG2 GLU 49 4.024 -30.852 7.623 413 HG3 GLU 49 HG1 GLU 49 2.926 -31.856 8.564 414 H LEU 50 HN LEU 50 2.056 -27.855 11.382 415 HA LEU 50 HA LEU 50 4.001 -27.860 13.400 416 HB2 LEU 50 HB2 LEU 50 3.024 -25.827 12.347 417 HB3 LEU 50 HB1 LEU 50 1.548 -26.097 13.269 418 HG LEU 50 HG LEU 50 2.872 -25.968 15.359 419 HD11 LEU 50 HD11 LEU 50 5.078 -26.539 14.966 420 HD12 LEU 50 HD12 LEU 50 5.235 -24.787 14.899 421 HD13 LEU 50 HD13 LEU 50 5.124 -25.718 13.405 422 HD21 LEU 50 HD21 LEU 50 3.441 -23.522 13.691 423 HD22 LEU 50 HD22 LEU 50 3.014 -23.604 15.399 424 HD23 LEU 50 HD23 LEU 50 1.805 -23.954 14.169 425 H MET 51 HN MET 51 0.547 -28.537 13.446 426 HA MET 51 HA MET 51 0.065 -28.590 16.175 427 HB2 MET 51 HB2 MET 51 -1.719 -28.848 14.523 428 HB3 MET 51 HB1 MET 51 -1.056 -30.407 14.029 429 HG2 MET 51 HG2 MET 51 -1.757 -29.964 16.921 430 HG3 MET 51 HG1 MET 51 -3.034 -30.330 15.760 431 HE1 MET 51 HE1 MET 51 -3.064 -33.821 16.837 432 HE2 MET 51 HE2 MET 51 -3.764 -32.873 15.527 433 HE3 MET 51 HE3 MET 51 -3.639 -32.176 17.140 434 H GLU 52 HN GLU 52 1.339 -31.172 14.089 435 HA GLU 52 HA GLU 52 1.555 -33.097 16.187 436 HB2 GLU 52 HB2 GLU 52 1.513 -33.570 13.686 437 HB3 GLU 52 HB1 GLU 52 3.193 -33.031 13.654 438 HG2 GLU 52 HG2 GLU 52 3.259 -35.403 13.905 439 HG3 GLU 52 HG1 GLU 52 3.657 -34.723 15.482 440 H LEU 53 HN LEU 53 3.828 -30.827 14.684 441 HA LEU 53 HA LEU 53 6.138 -31.655 16.061 442 HB2 LEU 53 HB2 LEU 53 5.363 -28.952 14.953 443 HB3 LEU 53 HB1 LEU 53 6.978 -29.351 15.541 444 HG LEU 53 HG LEU 53 5.538 -30.893 13.362 445 HD11 LEU 53 HD11 LEU 53 7.538 -28.629 13.199 446 HD12 LEU 53 HD12 LEU 53 5.940 -28.722 12.460 447 HD13 LEU 53 HD13 LEU 53 7.246 -29.741 11.861 448 HD21 LEU 53 HD21 LEU 53 7.164 -32.374 14.135 449 HD22 LEU 53 HD22 LEU 53 8.251 -31.086 14.652 450 HD23 LEU 53 HD23 LEU 53 8.106 -31.484 12.940 451 H ILE 54 HN ILE 54 3.595 -29.357 16.919 452 HA ILE 54 HA ILE 54 4.850 -28.282 19.193 453 HB ILE 54 HB ILE 54 1.947 -28.623 18.486 454 HG12 ILE 54 HG12 ILE 54 3.658 -27.056 17.215 455 HG13 ILE 54 HG11 ILE 54 2.066 -26.468 17.633 456 HG21 ILE 54 HG21 ILE 54 1.945 -28.453 20.855 457 HG22 ILE 54 HG22 ILE 54 1.651 -26.809 20.287 458 HG23 ILE 54 HG23 ILE 54 3.253 -27.278 20.855 459 HD11 ILE 54 HD11 ILE 54 2.856 -25.166 19.421 460 HD12 ILE 54 HD12 ILE 54 4.096 -24.943 18.185 461 HD13 ILE 54 HD13 ILE 54 4.374 -26.057 19.525 462 H ASP 55 HN ASP 55 2.643 -31.055 18.839 463 HA ASP 55 HA ASP 55 2.417 -31.658 21.574 464 HB2 ASP 55 HB2 ASP 55 0.911 -32.565 19.857 465 HB3 ASP 55 HB1 ASP 55 2.240 -33.508 19.184 466 H LEU 56 HN LEU 56 4.578 -32.958 19.075 467 HA LEU 56 HA LEU 56 5.954 -34.721 20.776 468 HB2 LEU 56 HB2 LEU 56 6.479 -33.511 18.093 469 HB3 LEU 56 HB1 LEU 56 7.798 -34.354 18.898 470 HG LEU 56 HG LEU 56 6.354 -35.764 17.327 471 HD11 LEU 56 HD11 LEU 56 6.163 -36.929 20.101 472 HD12 LEU 56 HD12 LEU 56 7.759 -36.553 19.455 473 HD13 LEU 56 HD13 LEU 56 6.711 -37.685 18.606 474 HD21 LEU 56 HD21 LEU 56 4.201 -34.659 18.250 475 HD22 LEU 56 HD22 LEU 56 4.343 -35.790 19.587 476 HD23 LEU 56 HD23 LEU 56 4.158 -36.388 17.940 477 H TYR 57 HN TYR 57 6.607 -31.393 19.844 478 HA TYR 57 HA TYR 57 9.073 -31.229 21.263 479 HB2 TYR 57 HB2 TYR 57 7.195 -29.245 20.010 480 HB3 TYR 57 HB1 TYR 57 8.515 -28.677 21.029 481 HD1 TYR 57 HD2 TYR 57 8.249 -31.495 18.525 482 HD2 TYR 57 HD1 TYR 57 10.252 -27.873 19.689 483 HE1 TYR 57 HE2 TYR 57 9.836 -31.778 16.661 484 HE2 TYR 57 HE1 TYR 57 11.842 -28.165 17.812 485 HH TYR 57 HH TYR 57 12.478 -30.803 16.341 486 H GLU 58 HN GLU 58 5.729 -30.381 22.008 487 HA GLU 58 HA GLU 58 6.323 -29.227 24.547 488 HB2 GLU 58 HB2 GLU 58 3.767 -30.222 23.295 489 HB3 GLU 58 HB1 GLU 58 3.828 -29.550 24.922 490 HG2 GLU 58 HG2 GLU 58 4.898 -28.084 22.497 491 HG3 GLU 58 HG1 GLU 58 3.257 -27.874 23.106 492 H GLU 59 HN GLU 59 5.903 -32.446 23.398 493 HA GLU 59 HA GLU 59 5.400 -33.543 26.053 494 HB2 GLU 59 HB2 GLU 59 4.326 -34.506 24.024 495 HB3 GLU 59 HB1 GLU 59 5.924 -34.996 23.460 496 HG2 GLU 59 HG2 GLU 59 6.237 -36.447 25.353 497 HG3 GLU 59 HG1 GLU 59 4.799 -35.814 26.151 498 H SER 60 HN SER 60 8.089 -32.675 24.142 499 HA SER 60 HA SER 60 9.958 -34.655 24.718 500 HB2 SER 60 HB2 SER 60 10.580 -32.980 23.168 501 HB3 SER 60 HB1 SER 60 10.227 -31.687 24.309 502 HG SER 60 HG SER 60 11.999 -32.269 25.502 503 H GLN 61 HN GLN 61 9.607 -31.561 26.479 504 HA GLN 61 HA GLN 61 10.789 -32.863 28.861 505 HB2 GLN 61 HB2 GLN 61 11.540 -30.495 27.538 506 HB3 GLN 61 HB1 GLN 61 10.751 -29.954 29.014 507 HG2 GLN 61 HG2 GLN 61 13.080 -30.256 29.513 508 HG3 GLN 61 HG1 GLN 61 12.206 -31.580 30.281 509 HE21 GLN 61 HE21 GLN 61 13.422 -31.035 26.919 510 HE22 GLN 61 HE22 GLN 61 14.227 -32.526 26.823 511 HA PRO 62 HA PRO 62 7.004 -30.675 30.525 512 HB2 PRO 62 HB2 PRO 62 5.564 -28.989 28.939 513 HB3 PRO 62 HB1 PRO 62 7.097 -28.508 29.685 514 HG2 PRO 62 HG2 PRO 62 6.503 -29.079 26.861 515 HG3 PRO 62 HG1 PRO 62 7.841 -28.163 27.560 516 HD2 PRO 62 HD2 PRO 62 7.878 -30.929 26.648 517 HD3 PRO 62 HD1 PRO 62 9.211 -29.960 27.273 518 H SER 63 HN SER 63 6.498 -33.025 30.111 519 HA SER 63 HA SER 63 4.529 -33.749 28.177 520 HB2 SER 63 HB2 SER 63 5.287 -35.166 30.735 521 HB3 SER 63 HB1 SER 63 4.423 -35.859 29.366 522 HG SER 63 HG SER 63 6.989 -34.676 29.156 523 H SER 64 HN SER 64 4.440 -32.944 31.631 524 HA SER 64 HA SER 64 1.482 -32.738 31.448 525 HB2 SER 64 HB2 SER 64 1.412 -33.290 33.832 526 HB3 SER 64 HB1 SER 64 2.210 -34.568 32.920 527 HG SER 64 HG SER 64 3.525 -34.152 34.622 528 H GLU 65 HN GLU 65 4.122 -30.890 31.392 529 HA GLU 65 HA GLU 65 3.339 -28.920 33.403 530 HB2 GLU 65 HB2 GLU 65 5.583 -29.025 31.382 531 HB3 GLU 65 HB1 GLU 65 5.313 -27.665 32.471 532 HG2 GLU 65 HG2 GLU 65 5.582 -29.104 34.412 533 HG3 GLU 65 HG1 GLU 65 5.703 -30.529 33.383 534 H ARG 66 HN ARG 66 4.517 -27.974 30.274 535 HA ARG 66 HA ARG 66 2.553 -25.947 29.974 536 HB2 ARG 66 HB2 ARG 66 4.428 -27.088 27.894 537 HB3 ARG 66 HB1 ARG 66 3.593 -25.538 27.808 538 HG2 ARG 66 HG2 ARG 66 5.461 -26.222 30.083 539 HG3 ARG 66 HG1 ARG 66 6.038 -25.481 28.593 540 HD2 ARG 66 HD2 ARG 66 4.365 -23.634 28.948 541 HD3 ARG 66 HD1 ARG 66 3.990 -24.335 30.517 542 HE ARG 66 HE ARG 66 6.432 -22.927 29.785 543 HH11 ARG 66 HH21 ARG 66 4.746 -24.987 32.005 544 HH12 ARG 66 HH22 ARG 66 5.799 -24.640 33.335 545 HH21 ARG 66 HH11 ARG 66 7.809 -22.472 31.523 546 HH22 ARG 66 HH12 ARG 66 7.535 -23.217 33.061 547 H LEU 67 HN LEU 67 2.500 -29.261 29.292 548 HA LEU 67 HA LEU 67 1.049 -29.542 26.994 549 HB2 LEU 67 HB2 LEU 67 1.804 -31.314 28.720 550 HB3 LEU 67 HB1 LEU 67 0.236 -31.033 29.475 551 HG LEU 67 HG LEU 67 -0.617 -31.325 26.928 552 HD11 LEU 67 HD11 LEU 67 1.845 -33.092 27.060 553 HD12 LEU 67 HD12 LEU 67 1.718 -31.623 26.094 554 HD13 LEU 67 HD13 LEU 67 0.682 -33.004 25.736 555 HD21 LEU 67 HD21 LEU 67 0.113 -33.639 28.755 556 HD22 LEU 67 HD22 LEU 67 -1.059 -33.703 27.439 557 HD23 LEU 67 HD23 LEU 67 -1.364 -32.682 28.843 558 H ASN 68 HN ASN 68 -0.006 -28.238 30.055 559 HA ASN 68 HA ASN 68 -2.809 -28.347 29.588 560 HB2 ASN 68 HB2 ASN 68 -1.869 -28.021 31.828 561 HB3 ASN 68 HB1 ASN 68 -1.209 -26.464 31.332 562 HD21 ASN 68 HD21 ASN 68 -4.186 -28.169 32.165 563 HD22 ASN 68 HD22 ASN 68 -5.172 -26.788 32.219 564 H ALA 69 HN ALA 69 -0.311 -25.938 28.913 565 HA ALA 69 HA ALA 69 -2.216 -24.030 27.833 566 HB1 ALA 69 HB1 ALA 69 -0.300 -22.627 27.435 567 HB2 ALA 69 HB2 ALA 69 0.802 -23.980 27.687 568 HB3 ALA 69 HB3 ALA 69 -0.134 -23.343 29.039 569 H PHE 70 HN PHE 70 -0.373 -26.687 26.701 570 HA PHE 70 HA PHE 70 0.102 -25.960 24.042 571 HB2 PHE 70 HB2 PHE 70 1.132 -27.970 24.669 572 HB3 PHE 70 HB1 PHE 70 -0.323 -28.575 25.446 573 HD1 PHE 70 HD2 PHE 70 0.073 -27.104 22.045 574 HD2 PHE 70 HD1 PHE 70 -0.793 -30.620 24.350 575 HE1 PHE 70 HE2 PHE 70 -0.577 -28.294 19.979 576 HE2 PHE 70 HE1 PHE 70 -1.452 -31.813 22.277 577 HZ PHE 70 HZ PHE 70 -1.342 -30.648 20.090 578 H ARG 71 HN ARG 71 -2.729 -27.499 25.539 579 HA ARG 71 HA ARG 71 -4.214 -27.902 23.212 580 HB2 ARG 71 HB2 ARG 71 -5.118 -27.329 26.032 581 HB3 ARG 71 HB1 ARG 71 -6.193 -27.846 24.732 582 HG2 ARG 71 HG2 ARG 71 -3.721 -29.476 25.286 583 HG3 ARG 71 HG1 ARG 71 -5.102 -29.642 26.368 584 HD2 ARG 71 HD2 ARG 71 -5.179 -30.004 23.356 585 HD3 ARG 71 HD1 ARG 71 -5.198 -31.302 24.547 586 HE ARG 71 HE ARG 71 -7.305 -29.632 25.220 587 HH11 ARG 71 HH21 ARG 71 -6.264 -31.474 22.487 588 HH12 ARG 71 HH22 ARG 71 -7.867 -31.811 21.927 589 HH21 ARG 71 HH11 ARG 71 -9.413 -30.064 24.493 590 HH22 ARG 71 HH12 ARG 71 -9.652 -31.013 23.064 591 H GLU 72 HN GLU 72 -3.823 -25.073 25.259 592 HA GLU 72 HA GLU 72 -5.894 -23.499 24.197 593 HB2 GLU 72 HB2 GLU 72 -4.219 -23.097 26.217 594 HB3 GLU 72 HB1 GLU 72 -3.280 -22.241 24.995 595 HG2 GLU 72 HG2 GLU 72 -6.179 -21.705 25.702 596 HG3 GLU 72 HG1 GLU 72 -4.805 -20.696 26.151 597 H LEU 73 HN LEU 73 -2.461 -23.732 23.294 598 HA LEU 73 HA LEU 73 -2.683 -21.964 21.072 599 HB2 LEU 73 HB2 LEU 73 -0.524 -22.415 22.145 600 HB3 LEU 73 HB1 LEU 73 -0.623 -24.107 21.661 601 HG LEU 73 HG LEU 73 -0.616 -23.442 19.283 602 HD11 LEU 73 HD11 LEU 73 -1.608 -21.339 19.111 603 HD12 LEU 73 HD12 LEU 73 0.092 -20.910 18.946 604 HD13 LEU 73 HD13 LEU 73 -0.726 -20.687 20.493 605 HD21 LEU 73 HD21 LEU 73 1.688 -22.930 19.146 606 HD22 LEU 73 HD22 LEU 73 1.523 -23.745 20.701 607 HD23 LEU 73 HD23 LEU 73 1.658 -21.988 20.636 608 H ARG 74 HN ARG 74 -2.949 -25.443 21.494 609 HA ARG 74 HA ARG 74 -2.923 -26.295 18.850 610 HB2 ARG 74 HB2 ARG 74 -3.022 -27.801 20.830 611 HB3 ARG 74 HB1 ARG 74 -4.705 -27.331 21.057 612 HG2 ARG 74 HG2 ARG 74 -5.304 -28.218 18.879 613 HG3 ARG 74 HG1 ARG 74 -3.619 -28.614 18.539 614 HD2 ARG 74 HD2 ARG 74 -3.658 -30.107 20.574 615 HD3 ARG 74 HD1 ARG 74 -5.391 -29.810 20.682 616 HE ARG 74 HE ARG 74 -4.584 -30.748 18.079 617 HH11 ARG 74 HH21 ARG 74 -5.397 -31.624 21.323 618 HH12 ARG 74 HH22 ARG 74 -5.908 -33.227 20.911 619 HH21 ARG 74 HH11 ARG 74 -5.253 -32.852 17.528 620 HH22 ARG 74 HH12 ARG 74 -5.824 -33.923 18.763 621 H THR 75 HN THR 75 -5.639 -25.056 20.783 622 HA THR 75 HA THR 75 -7.761 -25.448 19.110 623 HB THR 75 HB THR 75 -7.523 -24.106 21.373 624 HG1 THR 75 HG1 THR 75 -9.597 -23.708 21.099 625 HG21 THR 75 HG21 THR 75 -6.254 -22.235 20.136 626 HG22 THR 75 HG22 THR 75 -7.562 -21.741 21.200 627 HG23 THR 75 HG23 THR 75 -7.815 -21.792 19.454 628 H GLN 76 HN GLN 76 -5.223 -23.006 18.796 629 HA GLN 76 HA GLN 76 -6.377 -21.626 16.614 630 HB2 GLN 76 HB2 GLN 76 -4.608 -20.688 18.063 631 HB3 GLN 76 HB1 GLN 76 -3.469 -21.864 17.413 632 HG2 GLN 76 HG2 GLN 76 -3.199 -19.755 16.227 633 HG3 GLN 76 HG1 GLN 76 -3.878 -20.944 15.123 634 HE21 GLN 76 HE21 GLN 76 -5.102 -19.503 13.785 635 HE22 GLN 76 HE22 GLN 76 -6.384 -18.562 14.378 636 H LEU 77 HN LEU 77 -3.862 -24.125 16.812 637 HA LEU 77 HA LEU 77 -3.432 -24.350 14.028 638 HB2 LEU 77 HB2 LEU 77 -3.106 -26.548 16.079 639 HB3 LEU 77 HB1 LEU 77 -2.258 -26.378 14.542 640 HG LEU 77 HG LEU 77 -2.042 -24.451 16.871 641 HD11 LEU 77 HD11 LEU 77 0.102 -26.280 15.835 642 HD12 LEU 77 HD12 LEU 77 -1.000 -26.759 17.129 643 HD13 LEU 77 HD13 LEU 77 0.062 -25.370 17.344 644 HD21 LEU 77 HD21 LEU 77 -0.054 -23.651 15.468 645 HD22 LEU 77 HD22 LEU 77 -1.654 -23.204 14.893 646 HD23 LEU 77 HD23 LEU 77 -0.787 -24.540 14.130 647 H GLU 78 HN GLU 78 -5.596 -26.039 16.257 648 HA GLU 78 HA GLU 78 -6.624 -27.860 14.324 649 HB2 GLU 78 HB2 GLU 78 -6.747 -28.216 16.784 650 HB3 GLU 78 HB1 GLU 78 -7.910 -26.893 16.889 651 HG2 GLU 78 HG2 GLU 78 -9.438 -28.096 15.381 652 HG3 GLU 78 HG1 GLU 78 -8.272 -29.409 15.235 653 H LYS 79 HN LYS 79 -7.757 -24.741 15.607 654 HA LYS 79 HA LYS 79 -10.182 -24.672 14.151 655 HB2 LYS 79 HB2 LYS 79 -8.472 -22.524 15.405 656 HB3 LYS 79 HB1 LYS 79 -9.999 -22.171 14.602 657 HG2 LYS 79 HG2 LYS 79 -9.944 -24.349 16.683 658 HG3 LYS 79 HG1 LYS 79 -9.937 -22.671 17.219 659 HD2 LYS 79 HD2 LYS 79 -11.944 -23.504 15.134 660 HD3 LYS 79 HD1 LYS 79 -12.238 -23.950 16.814 661 HE2 LYS 79 HE2 LYS 79 -12.101 -21.621 17.506 662 HE3 LYS 79 HE1 LYS 79 -11.660 -21.128 15.871 663 HZ1 LYS 79 HZ1 LYS 79 -13.861 -22.339 15.272 664 HZ2 LYS 79 HZ2 LYS 79 -13.900 -20.750 15.871 665 HZ3 LYS 79 HZ3 LYS 79 -14.245 -22.059 16.899 666 H ALA 80 HN ALA 80 -6.974 -23.293 13.549 667 HA ALA 80 HA ALA 80 -7.643 -22.035 11.121 668 HB1 ALA 80 HB1 ALA 80 -5.148 -22.144 10.696 669 HB2 ALA 80 HB2 ALA 80 -5.016 -23.017 12.226 670 HB3 ALA 80 HB3 ALA 80 -5.629 -21.365 12.203 671 H LEU 81 HN LEU 81 -7.010 -25.310 11.956 672 HA LEU 81 HA LEU 81 -6.179 -26.283 9.448 673 HB2 LEU 81 HB2 LEU 81 -6.507 -27.393 11.942 674 HB3 LEU 81 HB1 LEU 81 -7.844 -28.130 11.071 675 HG LEU 81 HG LEU 81 -4.947 -28.139 10.169 676 HD11 LEU 81 HD11 LEU 81 -4.857 -30.411 10.860 677 HD12 LEU 81 HD12 LEU 81 -6.605 -30.497 11.080 678 HD13 LEU 81 HD13 LEU 81 -5.619 -29.563 12.206 679 HD21 LEU 81 HD21 LEU 81 -5.929 -29.914 8.573 680 HD22 LEU 81 HD22 LEU 81 -6.312 -28.230 8.217 681 HD23 LEU 81 HD23 LEU 81 -7.508 -29.258 9.007 682 H GLY 82 HN GLY 82 -9.115 -24.982 10.436 683 HA2 GLY 82 HA2 GLY 82 -10.977 -26.522 8.992 684 HA3 GLY 82 HA1 GLY 82 -11.190 -24.838 9.461 685 H LEU 83 HN LEU 83 -8.575 -24.274 7.992 686 HA LEU 83 HA LEU 83 -7.982 -23.419 5.949 687 HB2 LEU 83 HB2 LEU 83 -9.533 -25.868 5.094 688 HB3 LEU 83 HB1 LEU 83 -8.613 -24.865 3.976 689 HG LEU 83 HG LEU 83 -7.240 -25.876 6.463 690 HD11 LEU 83 HD11 LEU 83 -6.558 -27.922 5.195 691 HD12 LEU 83 HD12 LEU 83 -7.743 -27.509 3.956 692 HD13 LEU 83 HD13 LEU 83 -8.277 -27.897 5.592 693 HD21 LEU 83 HD21 LEU 83 -6.142 -25.695 3.649 694 HD22 LEU 83 HD22 LEU 83 -5.272 -25.603 5.180 695 HD23 LEU 83 HD23 LEU 83 -6.279 -24.255 4.653 696 H GLU 84 HN GLU 84 -10.096 -22.109 7.092 697 HA GLU 84 HA GLU 84 -12.388 -21.885 5.465 698 HB2 GLU 84 HB2 GLU 84 -11.085 -19.864 7.308 699 HB3 GLU 84 HB1 GLU 84 -12.698 -19.696 6.615 700 HG2 GLU 84 HG2 GLU 84 -11.834 -22.057 8.306 701 HG3 GLU 84 HG1 GLU 84 -12.671 -20.648 8.951 702 H HIS 85 HN HIS 85 -12.579 -21.117 3.475 703 HA HIS 85 HA HIS 85 -10.382 -19.788 2.171 704 HB2 HIS 85 HB2 HIS 85 -13.202 -20.362 1.229 705 HB3 HIS 85 HB1 HIS 85 -11.892 -19.761 0.211 706 HD2 HIS 85 HD2 HIS 85 -13.144 -23.121 1.687 707 HE1 HIS 85 HE1 HIS 85 -9.431 -23.891 -0.169 708 HE2 HIS 85 HE2 HIS 85 -11.469 -24.964 0.901 709 H HIS 86 HN HIS 86 -10.131 -17.664 1.757 710 HA HIS 86 HA HIS 86 -12.307 -15.809 2.554 711 HB2 HIS 86 HB2 HIS 86 -9.321 -15.439 2.901 712 HB3 HIS 86 HB1 HIS 86 -10.556 -14.242 3.292 713 HD2 HIS 86 HD2 HIS 86 -8.749 -17.097 5.041 714 HE1 HIS 86 HE1 HIS 86 -12.310 -16.510 7.232 715 HE2 HIS 86 HE2 HIS 86 -10.042 -17.653 7.240 716 H HIS 87 HN HIS 87 -9.716 -16.569 0.304 717 HA HIS 87 HA HIS 87 -10.110 -14.145 -1.249 718 HB2 HIS 87 HB2 HIS 87 -7.885 -15.312 -1.033 719 HB3 HIS 87 HB1 HIS 87 -8.546 -16.617 -2.019 720 HD2 HIS 87 HD2 HIS 87 -8.227 -16.160 -4.727 721 HE1 HIS 87 HE1 HIS 87 -7.707 -11.973 -4.575 722 HE2 HIS 87 HE2 HIS 87 -7.728 -13.998 -6.106 723 H HIS 88 HN HIS 88 -9.602 -16.451 -3.497 724 HA HIS 88 HA HIS 88 -12.355 -17.289 -3.919 725 HB2 HIS 88 HB2 HIS 88 -12.314 -14.991 -4.831 726 HB3 HIS 88 HB1 HIS 88 -10.995 -15.455 -5.905 727 HD2 HIS 88 HD2 HIS 88 -14.863 -15.860 -5.653 728 HE1 HIS 88 HE1 HIS 88 -13.587 -17.964 -9.083 729 HE2 HIS 88 HE2 HIS 88 -15.618 -17.125 -7.808 730 H HIS 89 HN HIS 89 -12.554 -18.558 -5.966 731 HA HIS 89 HA HIS 89 -10.386 -20.462 -6.112 732 HB2 HIS 89 HB2 HIS 89 -12.752 -21.168 -6.099 733 HB3 HIS 89 HB1 HIS 89 -13.001 -20.327 -7.628 734 HD2 HIS 89 HD2 HIS 89 -11.058 -23.504 -6.302 735 HE1 HIS 89 HE1 HIS 89 -11.234 -23.686 -10.516 736 HE2 HIS 89 HE2 HIS 89 -10.550 -24.944 -8.419 737 H HIS 90 HN HIS 90 -8.913 -20.711 -7.726 738 HA HIS 90 HA HIS 90 -9.300 -19.642 -10.362 739 HB2 HIS 90 HB2 HIS 90 -8.716 -17.556 -9.243 740 HB3 HIS 90 HB1 HIS 90 -7.268 -18.298 -8.568 741 HD2 HIS 90 HD2 HIS 90 -5.056 -18.155 -10.244 742 HE1 HIS 90 HE1 HIS 90 -7.087 -17.076 -13.784 743 HE2 HIS 90 HE2 HIS 90 -4.800 -17.448 -12.744 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -5.155 -13.445 24.871 2 H2 MET 1 HT2 MET 1 -3.612 -13.941 24.361 3 H3 MET 1 HT3 MET 1 -4.386 -14.744 25.643 4 HA MET 1 HA MET 1 -4.530 -16.085 23.668 5 HB2 MET 1 HB2 MET 1 -7.224 -14.797 24.148 6 HB3 MET 1 HB1 MET 1 -6.886 -16.475 23.720 7 HG2 MET 1 HG2 MET 1 -7.291 -16.603 26.031 8 HG3 MET 1 HG1 MET 1 -5.531 -16.524 25.956 9 HE1 MET 1 HE1 MET 1 -8.525 -13.238 26.924 10 HE2 MET 1 HE2 MET 1 -8.651 -14.813 27.706 11 HE3 MET 1 HE3 MET 1 -8.721 -14.702 25.950 12 H GLY 2 HN GLY 2 -3.819 -15.676 21.660 13 HA2 GLY 2 HA2 GLY 2 -5.491 -14.460 19.721 14 HA3 GLY 2 HA1 GLY 2 -4.199 -13.348 20.168 15 H VAL 3 HN VAL 3 -3.995 -13.901 17.675 16 HA VAL 3 HA VAL 3 -2.806 -16.348 16.902 17 HB VAL 3 HB VAL 3 -2.612 -13.591 15.666 18 HG11 VAL 3 HG11 VAL 3 -0.782 -14.863 14.806 19 HG12 VAL 3 HG12 VAL 3 -2.056 -14.984 13.593 20 HG13 VAL 3 HG13 VAL 3 -1.759 -16.326 14.696 21 HG21 VAL 3 HG21 VAL 3 -4.898 -14.612 15.862 22 HG22 VAL 3 HG22 VAL 3 -4.313 -15.991 14.932 23 HG23 VAL 3 HG23 VAL 3 -4.374 -14.393 14.192 24 H TRP 4 HN TRP 4 -1.415 -13.219 17.836 25 HA TRP 4 HA TRP 4 1.302 -14.160 17.579 26 HB2 TRP 4 HB2 TRP 4 1.826 -11.938 18.651 27 HB3 TRP 4 HB1 TRP 4 0.889 -11.832 17.160 28 HD1 TRP 4 HD1 TRP 4 -1.564 -10.958 17.299 29 HE1 TRP 4 HE1 TRP 4 -2.962 -9.890 19.184 30 HE3 TRP 4 HE3 TRP 4 1.440 -11.968 21.301 31 HZ2 TRP 4 HZ2 TRP 4 -2.821 -9.512 22.017 32 HZ3 TRP 4 HZ3 TRP 4 0.786 -11.243 23.579 33 HH2 TRP 4 HH2 TRP 4 -1.339 -10.019 23.941 34 H THR 5 HN THR 5 2.559 -15.025 19.102 35 HA THR 5 HA THR 5 2.240 -14.616 21.897 36 HB THR 5 HB THR 5 0.386 -16.089 21.821 37 HG1 THR 5 HG1 THR 5 1.953 -18.158 22.398 38 HG21 THR 5 HG21 THR 5 0.706 -18.387 20.713 39 HG22 THR 5 HG22 THR 5 2.102 -17.669 19.910 40 HG23 THR 5 HG23 THR 5 0.493 -17.001 19.642 41 HA PRO 6 HA PRO 6 6.199 -16.509 19.951 42 HB2 PRO 6 HB2 PRO 6 7.712 -14.197 20.084 43 HB3 PRO 6 HB1 PRO 6 6.783 -14.693 18.651 44 HG2 PRO 6 HG2 PRO 6 6.018 -12.781 20.819 45 HG3 PRO 6 HG1 PRO 6 5.859 -12.604 19.064 46 HD2 PRO 6 HD2 PRO 6 3.740 -13.291 20.549 47 HD3 PRO 6 HD1 PRO 6 4.010 -14.033 18.954 48 H GLU 7 HN GLU 7 8.502 -16.110 21.070 49 HA GLU 7 HA GLU 7 8.510 -17.121 23.599 50 HB2 GLU 7 HB2 GLU 7 10.450 -15.135 22.392 51 HB3 GLU 7 HB1 GLU 7 10.745 -16.003 23.899 52 HG2 GLU 7 HG2 GLU 7 10.543 -18.147 22.733 53 HG3 GLU 7 HG1 GLU 7 10.175 -17.310 21.227 54 H VAL 8 HN VAL 8 7.521 -13.958 22.675 55 HA VAL 8 HA VAL 8 8.040 -12.485 25.012 56 HB VAL 8 HB VAL 8 5.710 -12.299 23.082 57 HG11 VAL 8 HG11 VAL 8 5.652 -9.910 23.923 58 HG12 VAL 8 HG12 VAL 8 6.730 -10.422 25.222 59 HG13 VAL 8 HG13 VAL 8 5.116 -11.123 25.085 60 HG21 VAL 8 HG21 VAL 8 8.050 -12.054 22.144 61 HG22 VAL 8 HG22 VAL 8 8.254 -10.659 23.203 62 HG23 VAL 8 HG23 VAL 8 7.025 -10.635 21.938 63 H LEU 9 HN LEU 9 5.175 -14.397 24.064 64 HA LEU 9 HA LEU 9 3.784 -13.992 26.504 65 HB2 LEU 9 HB2 LEU 9 2.984 -14.942 24.150 66 HB3 LEU 9 HB1 LEU 9 3.381 -16.495 24.888 67 HG LEU 9 HG LEU 9 1.516 -14.413 26.063 68 HD11 LEU 9 HD11 LEU 9 -0.254 -16.036 25.549 69 HD12 LEU 9 HD12 LEU 9 0.933 -17.107 24.807 70 HD13 LEU 9 HD13 LEU 9 0.587 -15.537 24.083 71 HD21 LEU 9 HD21 LEU 9 2.595 -17.035 27.071 72 HD22 LEU 9 HD22 LEU 9 0.953 -16.558 27.517 73 HD23 LEU 9 HD23 LEU 9 2.316 -15.528 27.942 74 H LYS 10 HN LYS 10 5.988 -16.502 25.338 75 HA LYS 10 HA LYS 10 5.768 -18.304 27.465 76 HB2 LYS 10 HB2 LYS 10 6.998 -18.795 25.366 77 HB3 LYS 10 HB1 LYS 10 8.253 -17.661 25.856 78 HG2 LYS 10 HG2 LYS 10 8.760 -18.987 27.817 79 HG3 LYS 10 HG1 LYS 10 7.431 -20.090 27.453 80 HD2 LYS 10 HD2 LYS 10 8.498 -20.882 25.469 81 HD3 LYS 10 HD1 LYS 10 9.689 -19.579 25.505 82 HE2 LYS 10 HE2 LYS 10 10.710 -21.624 26.319 83 HE3 LYS 10 HE1 LYS 10 10.556 -20.466 27.636 84 HZ1 LYS 10 HZ1 LYS 10 9.573 -23.055 27.555 85 HZ2 LYS 10 HZ2 LYS 10 8.216 -22.038 27.457 86 HZ3 LYS 10 HZ3 LYS 10 9.300 -21.887 28.756 87 H ALA 11 HN ALA 11 7.819 -15.444 27.069 88 HA ALA 11 HA ALA 11 9.306 -15.731 29.448 89 HB1 ALA 11 HB1 ALA 11 9.787 -13.337 29.203 90 HB2 ALA 11 HB2 ALA 11 8.484 -13.186 28.025 91 HB3 ALA 11 HB3 ALA 11 9.909 -14.153 27.644 92 H ARG 12 HN ARG 12 6.237 -14.093 28.754 93 HA ARG 12 HA ARG 12 5.858 -13.031 31.356 94 HB2 ARG 12 HB2 ARG 12 3.946 -13.683 29.107 95 HB3 ARG 12 HB1 ARG 12 3.433 -12.908 30.605 96 HG2 ARG 12 HG2 ARG 12 5.746 -11.746 29.060 97 HG3 ARG 12 HG1 ARG 12 4.099 -11.420 28.526 98 HD2 ARG 12 HD2 ARG 12 3.536 -10.499 30.721 99 HD3 ARG 12 HD1 ARG 12 5.140 -10.888 31.328 100 HE ARG 12 HE ARG 12 5.422 -9.270 29.046 101 HH11 ARG 12 HH21 ARG 12 4.236 -9.193 32.294 102 HH12 ARG 12 HH22 ARG 12 4.556 -7.506 32.518 103 HH21 ARG 12 HH11 ARG 12 5.846 -7.059 29.329 104 HH22 ARG 12 HH12 ARG 12 5.468 -6.298 30.839 105 H ALA 13 HN ALA 13 4.803 -16.019 29.790 106 HA ALA 13 HA ALA 13 3.282 -16.971 32.002 107 HB1 ALA 13 HB1 ALA 13 2.991 -17.807 29.686 108 HB2 ALA 13 HB2 ALA 13 3.300 -19.112 30.830 109 HB3 ALA 13 HB3 ALA 13 4.590 -18.546 29.770 110 H SER 14 HN SER 14 6.614 -17.410 30.924 111 HA SER 14 HA SER 14 7.255 -19.190 33.133 112 HB2 SER 14 HB2 SER 14 8.313 -19.516 30.930 113 HB3 SER 14 HB1 SER 14 9.043 -17.916 31.046 114 HG SER 14 HG SER 14 9.410 -20.044 32.895 115 H VAL 15 HN VAL 15 6.835 -15.929 32.796 116 HA VAL 15 HA VAL 15 7.372 -14.111 34.086 117 HB VAL 15 HB VAL 15 8.532 -16.053 36.083 118 HG11 VAL 15 HG11 VAL 15 7.964 -14.384 37.683 119 HG12 VAL 15 HG12 VAL 15 6.931 -13.528 36.538 120 HG13 VAL 15 HG13 VAL 15 8.681 -13.499 36.338 121 HG21 VAL 15 HG21 VAL 15 5.629 -15.360 35.536 122 HG22 VAL 15 HG22 VAL 15 6.193 -16.173 36.996 123 HG23 VAL 15 HG23 VAL 15 6.371 -16.956 35.427 124 H ILE 16 HN ILE 16 10.011 -16.358 34.936 125 HA ILE 16 HA ILE 16 11.964 -14.278 34.179 126 HB ILE 16 HB ILE 16 12.430 -16.860 35.684 127 HG12 ILE 16 HG12 ILE 16 10.852 -15.493 36.942 128 HG13 ILE 16 HG11 ILE 16 12.436 -15.380 37.706 129 HG21 ILE 16 HG21 ILE 16 14.452 -15.933 34.712 130 HG22 ILE 16 HG22 ILE 16 14.463 -15.593 36.444 131 HG23 ILE 16 HG23 ILE 16 14.037 -14.323 35.298 132 HD11 ILE 16 HD11 ILE 16 11.746 -13.137 37.644 133 HD12 ILE 16 HD12 ILE 16 10.978 -13.317 36.068 134 HD13 ILE 16 HD13 ILE 16 12.733 -13.255 36.186 135 H GLY 17 HN GLY 17 13.088 -14.432 32.386 136 HA2 GLY 17 HA2 GLY 17 12.694 -16.439 30.457 137 HA3 GLY 17 HA1 GLY 17 13.996 -15.252 30.442 138 H LYS 18 HN LYS 18 14.080 -18.083 29.701 139 HA LYS 18 HA LYS 18 16.198 -18.908 31.575 140 HB2 LYS 18 HB2 LYS 18 13.761 -20.396 30.762 141 HB3 LYS 18 HB1 LYS 18 15.250 -21.338 30.747 142 HG2 LYS 18 HG2 LYS 18 15.700 -20.668 33.075 143 HG3 LYS 18 HG1 LYS 18 14.218 -19.711 33.091 144 HD2 LYS 18 HD2 LYS 18 12.960 -21.826 32.517 145 HD3 LYS 18 HD1 LYS 18 14.461 -22.711 32.792 146 HE2 LYS 18 HE2 LYS 18 13.067 -22.699 34.826 147 HE3 LYS 18 HE1 LYS 18 14.572 -21.820 35.088 148 HZ1 LYS 18 HZ1 LYS 18 13.464 -19.761 34.819 149 HZ2 LYS 18 HZ2 LYS 18 12.527 -20.677 35.900 150 HZ3 LYS 18 HZ3 LYS 18 12.040 -20.508 34.281 151 HA PRO 19 HA PRO 19 18.874 -19.579 28.165 152 HB2 PRO 19 HB2 PRO 19 19.305 -22.401 29.068 153 HB3 PRO 19 HB1 PRO 19 20.494 -21.109 28.813 154 HG2 PRO 19 HG2 PRO 19 19.782 -21.881 31.267 155 HG3 PRO 19 HG1 PRO 19 20.125 -20.182 30.891 156 HD2 PRO 19 HD2 PRO 19 17.483 -21.524 31.307 157 HD3 PRO 19 HD1 PRO 19 18.016 -19.887 31.744 158 H ILE 20 HN ILE 20 18.830 -20.349 26.065 159 HA ILE 20 HA ILE 20 16.466 -21.376 25.017 160 HB ILE 20 HB ILE 20 17.738 -21.739 22.949 161 HG12 ILE 20 HG12 ILE 20 20.332 -20.861 23.464 162 HG13 ILE 20 HG11 ILE 20 19.985 -21.835 24.894 163 HG21 ILE 20 HG21 ILE 20 17.040 -19.459 23.541 164 HG22 ILE 20 HG22 ILE 20 18.590 -19.435 22.701 165 HG23 ILE 20 HG23 ILE 20 18.534 -19.228 24.451 166 HD11 ILE 20 HD11 ILE 20 20.898 -23.370 23.352 167 HD12 ILE 20 HD12 ILE 20 20.000 -22.680 22.002 168 HD13 ILE 20 HD13 ILE 20 19.157 -23.628 23.226 169 H GLY 21 HN GLY 21 15.637 -23.368 24.826 170 HA2 GLY 21 HA2 GLY 21 17.117 -25.627 25.940 171 HA3 GLY 21 HA1 GLY 21 15.417 -25.608 25.480 172 H GLU 22 HN GLU 22 18.489 -26.647 24.608 173 HA GLU 22 HA GLU 22 19.414 -27.488 22.656 174 HB2 GLU 22 HB2 GLU 22 16.566 -28.505 22.579 175 HB3 GLU 22 HB1 GLU 22 17.839 -29.091 21.508 176 HG2 GLU 22 HG2 GLU 22 17.900 -30.640 23.278 177 HG3 GLU 22 HG1 GLU 22 19.181 -29.513 23.717 178 H SER 23 HN SER 23 18.463 -28.019 20.169 179 HA SER 23 HA SER 23 18.331 -25.362 19.030 180 HB2 SER 23 HB2 SER 23 18.379 -28.114 17.784 181 HB3 SER 23 HB1 SER 23 18.344 -26.617 16.858 182 HG SER 23 HG SER 23 20.455 -26.926 17.086 183 H TYR 24 HN TYR 24 16.097 -27.793 19.952 184 HA TYR 24 HA TYR 24 14.019 -27.520 18.142 185 HB2 TYR 24 HB2 TYR 24 14.025 -27.993 21.123 186 HB3 TYR 24 HB1 TYR 24 12.523 -27.942 20.201 187 HD1 TYR 24 HD1 TYR 24 15.676 -29.772 20.754 188 HD2 TYR 24 HD2 TYR 24 11.983 -29.661 18.564 189 HE1 TYR 24 HE1 TYR 24 16.040 -32.112 20.020 190 HE2 TYR 24 HE2 TYR 24 12.345 -32.001 17.831 191 HH TYR 24 HH TYR 24 14.011 -33.618 17.608 192 H LYS 25 HN LYS 25 15.406 -25.118 20.040 193 HA LYS 25 HA LYS 25 13.262 -23.484 20.765 194 HB2 LYS 25 HB2 LYS 25 14.858 -21.670 20.812 195 HB3 LYS 25 HB1 LYS 25 15.663 -23.129 21.386 196 HG2 LYS 25 HG2 LYS 25 16.571 -23.477 19.075 197 HG3 LYS 25 HG1 LYS 25 15.868 -21.931 18.603 198 HD2 LYS 25 HD2 LYS 25 17.180 -20.846 20.452 199 HD3 LYS 25 HD1 LYS 25 17.990 -22.392 20.712 200 HE2 LYS 25 HE2 LYS 25 17.942 -20.922 18.061 201 HE3 LYS 25 HE1 LYS 25 19.275 -20.844 19.212 202 HZ1 LYS 25 HZ1 LYS 25 18.789 -23.509 18.936 203 HZ2 LYS 25 HZ2 LYS 25 20.047 -22.643 18.192 204 HZ3 LYS 25 HZ3 LYS 25 18.590 -22.915 17.361 205 H ARG 26 HN ARG 26 14.132 -24.507 17.708 206 HA ARG 26 HA ARG 26 13.651 -22.228 16.121 207 HB2 ARG 26 HB2 ARG 26 14.741 -24.290 15.289 208 HB3 ARG 26 HB1 ARG 26 13.197 -25.135 15.409 209 HG2 ARG 26 HG2 ARG 26 12.187 -23.555 13.817 210 HG3 ARG 26 HG1 ARG 26 13.707 -22.666 13.719 211 HD2 ARG 26 HD2 ARG 26 13.549 -24.163 11.811 212 HD3 ARG 26 HD1 ARG 26 14.819 -24.740 12.888 213 HE ARG 26 HE ARG 26 12.338 -25.976 13.537 214 HH11 ARG 26 HH21 ARG 26 14.878 -25.919 11.187 215 HH12 ARG 26 HH22 ARG 26 14.658 -27.569 10.707 216 HH21 ARG 26 HH11 ARG 26 12.044 -28.137 12.913 217 HH22 ARG 26 HH12 ARG 26 13.052 -28.825 11.684 218 H ILE 27 HN ILE 27 11.536 -24.652 17.541 219 HA ILE 27 HA ILE 27 9.204 -24.098 16.113 220 HB ILE 27 HB ILE 27 9.522 -26.003 17.680 221 HG12 ILE 27 HG12 ILE 27 7.151 -24.262 18.416 222 HG13 ILE 27 HG11 ILE 27 7.252 -25.194 16.924 223 HG21 ILE 27 HG21 ILE 27 9.485 -25.724 20.022 224 HG22 ILE 27 HG22 ILE 27 8.864 -24.078 19.909 225 HG23 ILE 27 HG23 ILE 27 10.536 -24.419 19.478 226 HD11 ILE 27 HD11 ILE 27 6.137 -26.722 18.261 227 HD12 ILE 27 HD12 ILE 27 6.894 -26.139 19.740 228 HD13 ILE 27 HD13 ILE 27 7.796 -27.184 18.644 229 H LEU 28 HN LEU 28 10.418 -22.680 19.124 230 HA LEU 28 HA LEU 28 8.274 -20.914 19.559 231 HB2 LEU 28 HB2 LEU 28 11.141 -21.032 20.454 232 HB3 LEU 28 HB1 LEU 28 10.172 -19.613 20.843 233 HG LEU 28 HG LEU 28 9.044 -22.347 21.423 234 HD11 LEU 28 HD11 LEU 28 11.107 -20.887 23.087 235 HD12 LEU 28 HD12 LEU 28 11.220 -22.521 22.434 236 HD13 LEU 28 HD13 LEU 28 10.068 -22.164 23.721 237 HD21 LEU 28 HD21 LEU 28 7.832 -20.054 21.661 238 HD22 LEU 28 HD22 LEU 28 8.853 -19.827 23.081 239 HD23 LEU 28 HD23 LEU 28 7.730 -21.185 23.011 240 H ALA 29 HN ALA 29 11.348 -20.537 17.843 241 HA ALA 29 HA ALA 29 10.956 -17.786 17.197 242 HB1 ALA 29 HB1 ALA 29 13.175 -18.949 17.219 243 HB2 ALA 29 HB2 ALA 29 12.859 -18.043 15.739 244 HB3 ALA 29 HB3 ALA 29 12.690 -19.799 15.751 245 H LYS 30 HN LYS 30 9.728 -20.722 15.952 246 HA LYS 30 HA LYS 30 9.275 -20.000 13.267 247 HB2 LYS 30 HB2 LYS 30 9.038 -22.304 14.419 248 HB3 LYS 30 HB1 LYS 30 7.411 -21.764 14.833 249 HG2 LYS 30 HG2 LYS 30 6.776 -22.527 12.761 250 HG3 LYS 30 HG1 LYS 30 7.603 -21.115 12.103 251 HD2 LYS 30 HD2 LYS 30 8.949 -23.783 12.628 252 HD3 LYS 30 HD1 LYS 30 8.319 -23.280 11.058 253 HE2 LYS 30 HE2 LYS 30 10.489 -21.876 12.647 254 HE3 LYS 30 HE1 LYS 30 10.707 -22.786 11.152 255 HZ1 LYS 30 HZ1 LYS 30 9.105 -20.307 11.478 256 HZ2 LYS 30 HZ2 LYS 30 9.221 -21.211 10.044 257 HZ3 LYS 30 HZ3 LYS 30 10.596 -20.443 10.680 258 H LEU 31 HN LEU 31 7.621 -19.227 16.218 259 HA LEU 31 HA LEU 31 5.128 -18.441 15.194 260 HB2 LEU 31 HB2 LEU 31 6.730 -17.722 17.634 261 HB3 LEU 31 HB1 LEU 31 5.250 -16.832 17.280 262 HG LEU 31 HG LEU 31 3.951 -18.861 17.298 263 HD11 LEU 31 HD11 LEU 31 5.199 -21.032 17.983 264 HD12 LEU 31 HD12 LEU 31 6.663 -20.190 17.472 265 HD13 LEU 31 HD13 LEU 31 5.370 -20.492 16.312 266 HD21 LEU 31 HD21 LEU 31 5.879 -18.779 19.635 267 HD22 LEU 31 HD22 LEU 31 4.324 -19.607 19.635 268 HD23 LEU 31 HD23 LEU 31 4.386 -17.853 19.483 269 H GLN 32 HN GLN 32 8.181 -16.688 15.546 270 HA GLN 32 HA GLN 32 7.283 -14.132 14.840 271 HB2 GLN 32 HB2 GLN 32 9.945 -15.504 14.433 272 HB3 GLN 32 HB1 GLN 32 9.675 -13.801 14.064 273 HG2 GLN 32 HG2 GLN 32 9.102 -15.036 16.768 274 HG3 GLN 32 HG1 GLN 32 10.617 -14.228 16.370 275 HE21 GLN 32 HE21 GLN 32 8.012 -13.558 18.100 276 HE22 GLN 32 HE22 GLN 32 7.748 -11.929 17.710 277 H ARG 33 HN ARG 33 8.446 -16.808 12.808 278 HA ARG 33 HA ARG 33 8.199 -15.385 10.347 279 HB2 ARG 33 HB2 ARG 33 9.634 -17.390 10.618 280 HB3 ARG 33 HB1 ARG 33 8.184 -18.375 10.819 281 HG2 ARG 33 HG2 ARG 33 7.412 -17.779 8.588 282 HG3 ARG 33 HG1 ARG 33 8.766 -16.668 8.382 283 HD2 ARG 33 HD2 ARG 33 9.070 -19.643 8.862 284 HD3 ARG 33 HD1 ARG 33 9.119 -18.889 7.271 285 HE ARG 33 HE ARG 33 10.981 -17.567 8.904 286 HH11 ARG 33 HH21 ARG 33 10.378 -20.682 7.525 287 HH12 ARG 33 HH22 ARG 33 12.053 -21.103 7.395 288 HH21 ARG 33 HH11 ARG 33 13.181 -18.111 8.737 289 HH22 ARG 33 HH12 ARG 33 13.640 -19.647 8.081 290 H ILE 34 HN ILE 34 6.106 -17.618 12.124 291 HA ILE 34 HA ILE 34 4.071 -17.809 10.179 292 HB ILE 34 HB ILE 34 4.010 -18.121 13.183 293 HG12 ILE 34 HG12 ILE 34 5.317 -19.723 11.527 294 HG13 ILE 34 HG11 ILE 34 4.332 -20.409 12.816 295 HG21 ILE 34 HG21 ILE 34 1.845 -18.496 11.115 296 HG22 ILE 34 HG22 ILE 34 1.750 -17.650 12.660 297 HG23 ILE 34 HG23 ILE 34 1.831 -19.413 12.620 298 HD11 ILE 34 HD11 ILE 34 3.139 -19.893 10.091 299 HD12 ILE 34 HD12 ILE 34 2.588 -20.998 11.348 300 HD13 ILE 34 HD13 ILE 34 4.036 -21.375 10.420 301 H HIS 35 HN HIS 35 4.537 -15.612 12.912 302 HA HIS 35 HA HIS 35 2.099 -14.245 12.752 303 HB2 HIS 35 HB2 HIS 35 3.666 -13.998 14.632 304 HB3 HIS 35 HB1 HIS 35 4.814 -13.183 13.570 305 HD2 HIS 35 HD2 HIS 35 1.112 -12.489 14.872 306 HE1 HIS 35 HE1 HIS 35 2.958 -8.818 13.902 307 HE2 HIS 35 HE2 HIS 35 0.865 -9.890 14.860 308 H ASN 36 HN ASN 36 5.207 -13.612 11.148 309 HA ASN 36 HA ASN 36 4.363 -11.273 9.779 310 HB2 ASN 36 HB2 ASN 36 6.725 -11.777 10.081 311 HB3 ASN 36 HB1 ASN 36 6.560 -13.247 9.122 312 HD21 ASN 36 HD21 ASN 36 8.411 -11.637 8.059 313 HD22 ASN 36 HD22 ASN 36 7.820 -10.744 6.742 314 H SER 37 HN SER 37 4.405 -14.711 8.890 315 HA SER 37 HA SER 37 3.083 -14.095 6.334 316 HB2 SER 37 HB2 SER 37 3.578 -16.431 5.773 317 HB3 SER 37 HB1 SER 37 5.038 -15.559 6.233 318 HG SER 37 HG SER 37 4.015 -16.525 8.447 319 H ASN 38 HN ASN 38 1.886 -14.104 9.160 320 HA ASN 38 HA ASN 38 0.242 -16.209 9.711 321 HB2 ASN 38 HB2 ASN 38 0.372 -14.005 10.950 322 HB3 ASN 38 HB1 ASN 38 -0.721 -13.345 9.735 323 HD21 ASN 38 HD21 ASN 38 -2.494 -13.064 11.257 324 HD22 ASN 38 HD22 ASN 38 -3.321 -14.396 11.908 325 H ILE 39 HN ILE 39 -1.158 -17.336 8.560 326 HA ILE 39 HA ILE 39 -2.734 -17.931 7.005 327 HB ILE 39 HB ILE 39 -3.418 -14.996 6.857 328 HG12 ILE 39 HG12 ILE 39 -4.367 -17.072 8.824 329 HG13 ILE 39 HG11 ILE 39 -3.286 -15.739 9.210 330 HG21 ILE 39 HG21 ILE 39 -4.436 -16.623 5.217 331 HG22 ILE 39 HG22 ILE 39 -5.606 -15.795 6.244 332 HG23 ILE 39 HG23 ILE 39 -5.148 -17.462 6.594 333 HD11 ILE 39 HD11 ILE 39 -6.142 -15.514 8.219 334 HD12 ILE 39 HD12 ILE 39 -5.054 -14.146 8.454 335 HD13 ILE 39 HD13 ILE 39 -5.556 -15.120 9.835 336 H LEU 40 HN LEU 40 -0.529 -18.144 5.803 337 HA LEU 40 HA LEU 40 -0.697 -16.551 3.310 338 HB2 LEU 40 HB2 LEU 40 1.347 -16.041 4.654 339 HB3 LEU 40 HB1 LEU 40 1.812 -17.735 4.523 340 HG LEU 40 HG LEU 40 1.801 -17.528 2.053 341 HD11 LEU 40 HD11 LEU 40 0.371 -15.818 1.416 342 HD12 LEU 40 HD12 LEU 40 1.905 -14.960 1.322 343 HD13 LEU 40 HD13 LEU 40 0.866 -14.759 2.736 344 HD21 LEU 40 HD21 LEU 40 3.520 -15.412 3.368 345 HD22 LEU 40 HD22 LEU 40 3.875 -16.300 1.887 346 HD23 LEU 40 HD23 LEU 40 3.859 -17.142 3.438 347 H ASP 41 HN ASP 41 -0.607 -17.631 1.398 348 HA ASP 41 HA ASP 41 -1.454 -20.301 1.323 349 HB2 ASP 41 HB2 ASP 41 -0.362 -18.421 -0.747 350 HB3 ASP 41 HB1 ASP 41 -0.725 -20.094 -1.160 351 H GLU 42 HN GLU 42 1.750 -18.898 1.004 352 HA GLU 42 HA GLU 42 3.064 -21.295 0.232 353 HB2 GLU 42 HB2 GLU 42 4.038 -18.756 1.521 354 HB3 GLU 42 HB1 GLU 42 5.112 -20.054 1.003 355 HG2 GLU 42 HG2 GLU 42 4.318 -19.839 -1.296 356 HG3 GLU 42 HG1 GLU 42 3.145 -18.620 -0.804 357 H ARG 43 HN ARG 43 2.918 -19.605 3.374 358 HA ARG 43 HA ARG 43 4.142 -21.816 4.769 359 HB2 ARG 43 HB2 ARG 43 2.806 -19.314 5.843 360 HB3 ARG 43 HB1 ARG 43 3.770 -20.448 6.785 361 HG2 ARG 43 HG2 ARG 43 4.918 -19.160 4.311 362 HG3 ARG 43 HG1 ARG 43 4.933 -18.311 5.853 363 HD2 ARG 43 HD2 ARG 43 6.110 -20.233 6.883 364 HD3 ARG 43 HD1 ARG 43 6.161 -21.036 5.318 365 HE ARG 43 HE ARG 43 7.727 -18.708 6.135 366 HH11 ARG 43 HH21 ARG 43 6.637 -20.829 3.621 367 HH12 ARG 43 HH22 ARG 43 7.931 -20.434 2.541 368 HH21 ARG 43 HH11 ARG 43 9.422 -18.190 4.724 369 HH22 ARG 43 HH12 ARG 43 9.506 -18.938 3.165 370 H GLN 44 HN GLN 44 0.971 -21.030 3.817 371 HA GLN 44 HA GLN 44 -0.682 -21.907 5.785 372 HB2 GLN 44 HB2 GLN 44 -0.782 -21.784 2.897 373 HB3 GLN 44 HB1 GLN 44 -1.623 -23.229 3.432 374 HG2 GLN 44 HG2 GLN 44 -2.146 -20.477 4.592 375 HG3 GLN 44 HG1 GLN 44 -3.087 -21.178 3.272 376 HE21 GLN 44 HE21 GLN 44 -3.342 -20.702 6.484 377 HE22 GLN 44 HE22 GLN 44 -4.176 -22.106 6.942 378 H GLY 45 HN GLY 45 1.443 -23.890 3.817 379 HA2 GLY 45 HA2 GLY 45 0.418 -26.408 4.676 380 HA3 GLY 45 HA1 GLY 45 1.974 -26.131 3.897 381 H LEU 46 HN LEU 46 2.899 -24.204 5.831 382 HA LEU 46 HA LEU 46 4.144 -25.937 7.657 383 HB2 LEU 46 HB2 LEU 46 5.203 -23.843 7.048 384 HB3 LEU 46 HB1 LEU 46 3.858 -22.921 7.710 385 HG LEU 46 HG LEU 46 4.362 -23.724 9.971 386 HD11 LEU 46 HD11 LEU 46 6.645 -25.012 10.169 387 HD12 LEU 46 HD12 LEU 46 6.335 -25.463 8.492 388 HD13 LEU 46 HD13 LEU 46 5.186 -25.913 9.754 389 HD21 LEU 46 HD21 LEU 46 7.028 -22.900 8.826 390 HD22 LEU 46 HD22 LEU 46 6.272 -22.417 10.342 391 HD23 LEU 46 HD23 LEU 46 5.666 -21.776 8.816 392 H MET 47 HN MET 47 1.254 -23.969 7.872 393 HA MET 47 HA MET 47 0.881 -24.040 10.653 394 HB2 MET 47 HB2 MET 47 -0.993 -23.782 8.309 395 HB3 MET 47 HB1 MET 47 -1.614 -23.821 9.957 396 HG2 MET 47 HG2 MET 47 -1.295 -21.508 9.331 397 HG3 MET 47 HG1 MET 47 -0.049 -21.923 10.509 398 HE1 MET 47 HE1 MET 47 0.251 -19.416 8.904 399 HE2 MET 47 HE2 MET 47 -0.690 -20.006 7.538 400 HE3 MET 47 HE3 MET 47 0.973 -19.485 7.291 401 H HIS 48 HN HIS 48 -0.038 -26.325 8.111 402 HA HIS 48 HA HIS 48 -1.550 -28.050 9.793 403 HB2 HIS 48 HB2 HIS 48 -1.746 -28.070 7.340 404 HB3 HIS 48 HB1 HIS 48 -0.096 -28.672 7.212 405 HD2 HIS 48 HD2 HIS 48 0.050 -31.430 7.274 406 HE1 HIS 48 HE1 HIS 48 -3.728 -32.189 8.999 407 HE2 HIS 48 HE2 HIS 48 -1.651 -33.268 8.013 408 H GLU 49 HN GLU 49 1.818 -28.150 8.639 409 HA GLU 49 HA GLU 49 2.487 -30.534 10.067 410 HB2 GLU 49 HB2 GLU 49 4.205 -28.355 8.857 411 HB3 GLU 49 HB1 GLU 49 4.846 -29.840 9.560 412 HG2 GLU 49 HG2 GLU 49 3.580 -31.187 7.964 413 HG3 GLU 49 HG1 GLU 49 2.827 -29.738 7.299 414 H LEU 50 HN LEU 50 2.729 -27.094 10.729 415 HA LEU 50 HA LEU 50 4.304 -27.258 13.050 416 HB2 LEU 50 HB2 LEU 50 3.905 -25.138 11.855 417 HB3 LEU 50 HB1 LEU 50 2.210 -25.182 12.338 418 HG LEU 50 HG LEU 50 2.909 -25.129 14.728 419 HD11 LEU 50 HD11 LEU 50 5.426 -24.349 14.990 420 HD12 LEU 50 HD12 LEU 50 5.640 -25.203 13.461 421 HD13 LEU 50 HD13 LEU 50 5.043 -26.066 14.877 422 HD21 LEU 50 HD21 LEU 50 2.499 -23.046 13.295 423 HD22 LEU 50 HD22 LEU 50 4.253 -22.879 13.220 424 HD23 LEU 50 HD23 LEU 50 3.427 -22.808 14.776 425 H MET 51 HN MET 51 0.818 -27.421 12.510 426 HA MET 51 HA MET 51 -0.118 -27.265 15.117 427 HB2 MET 51 HB2 MET 51 -1.567 -27.345 13.112 428 HB3 MET 51 HB1 MET 51 -1.156 -29.046 12.896 429 HG2 MET 51 HG2 MET 51 -2.129 -29.571 15.103 430 HG3 MET 51 HG1 MET 51 -2.517 -27.866 15.336 431 HE1 MET 51 HE1 MET 51 -4.546 -30.975 12.705 432 HE2 MET 51 HE2 MET 51 -3.550 -31.207 14.140 433 HE3 MET 51 HE3 MET 51 -2.803 -30.690 12.630 434 H GLU 52 HN GLU 52 0.960 -30.140 13.312 435 HA GLU 52 HA GLU 52 0.557 -31.953 15.474 436 HB2 GLU 52 HB2 GLU 52 2.230 -32.123 12.962 437 HB3 GLU 52 HB1 GLU 52 2.060 -33.454 14.107 438 HG2 GLU 52 HG2 GLU 52 -0.369 -33.448 13.793 439 HG3 GLU 52 HG1 GLU 52 -0.241 -32.071 12.700 440 H LEU 53 HN LEU 53 3.317 -30.074 14.325 441 HA LEU 53 HA LEU 53 5.269 -31.251 15.974 442 HB2 LEU 53 HB2 LEU 53 5.402 -29.479 13.971 443 HB3 LEU 53 HB1 LEU 53 5.449 -28.331 15.308 444 HG LEU 53 HG LEU 53 7.319 -30.683 14.901 445 HD11 LEU 53 HD11 LEU 53 7.715 -27.688 14.696 446 HD12 LEU 53 HD12 LEU 53 7.830 -28.865 13.386 447 HD13 LEU 53 HD13 LEU 53 9.027 -28.866 14.682 448 HD21 LEU 53 HD21 LEU 53 6.925 -28.746 17.175 449 HD22 LEU 53 HD22 LEU 53 8.526 -29.417 16.860 450 HD23 LEU 53 HD23 LEU 53 7.178 -30.489 17.231 451 H ILE 54 HN ILE 54 3.112 -28.487 16.481 452 HA ILE 54 HA ILE 54 4.156 -27.704 18.969 453 HB ILE 54 HB ILE 54 1.416 -27.345 17.773 454 HG12 ILE 54 HG12 ILE 54 3.601 -26.268 16.789 455 HG13 ILE 54 HG11 ILE 54 2.188 -25.259 17.055 456 HG21 ILE 54 HG21 ILE 54 1.335 -25.451 19.548 457 HG22 ILE 54 HG22 ILE 54 2.604 -26.354 20.370 458 HG23 ILE 54 HG23 ILE 54 1.026 -27.097 20.104 459 HD11 ILE 54 HD11 ILE 54 3.103 -24.199 18.926 460 HD12 ILE 54 HD12 ILE 54 4.519 -24.395 17.896 461 HD13 ILE 54 HD13 ILE 54 4.245 -25.500 19.243 462 H ASP 55 HN ASP 55 1.583 -29.947 18.107 463 HA ASP 55 HA ASP 55 0.678 -30.494 20.708 464 HB2 ASP 55 HB2 ASP 55 -0.476 -31.107 18.544 465 HB3 ASP 55 HB1 ASP 55 0.692 -32.416 18.372 466 H LEU 56 HN LEU 56 3.367 -31.699 18.828 467 HA LEU 56 HA LEU 56 3.960 -33.814 20.723 468 HB2 LEU 56 HB2 LEU 56 5.455 -32.786 18.308 469 HB3 LEU 56 HB1 LEU 56 5.967 -34.166 19.283 470 HG LEU 56 HG LEU 56 3.262 -33.958 17.931 471 HD11 LEU 56 HD11 LEU 56 5.235 -34.043 16.345 472 HD12 LEU 56 HD12 LEU 56 4.107 -35.391 16.197 473 HD13 LEU 56 HD13 LEU 56 5.638 -35.611 17.044 474 HD21 LEU 56 HD21 LEU 56 2.972 -35.548 19.620 475 HD22 LEU 56 HD22 LEU 56 4.658 -36.064 19.576 476 HD23 LEU 56 HD23 LEU 56 3.543 -36.572 18.307 477 H TYR 57 HN TYR 57 4.726 -30.508 20.266 478 HA TYR 57 HA TYR 57 7.170 -30.605 21.848 479 HB2 TYR 57 HB2 TYR 57 6.928 -29.044 19.932 480 HB3 TYR 57 HB1 TYR 57 5.644 -28.211 20.810 481 HD1 TYR 57 HD1 TYR 57 9.241 -29.183 20.978 482 HD2 TYR 57 HD2 TYR 57 6.147 -26.629 22.514 483 HE1 TYR 57 HE1 TYR 57 10.941 -27.865 22.213 484 HE2 TYR 57 HE2 TYR 57 7.847 -25.311 23.747 485 HH TYR 57 HH TYR 57 11.238 -25.718 23.200 486 H GLU 58 HN GLU 58 3.864 -29.339 22.158 487 HA GLU 58 HA GLU 58 4.084 -28.088 24.613 488 HB2 GLU 58 HB2 GLU 58 1.713 -28.232 24.768 489 HB3 GLU 58 HB1 GLU 58 2.074 -28.149 23.047 490 HG2 GLU 58 HG2 GLU 58 2.023 -30.679 23.027 491 HG3 GLU 58 HG1 GLU 58 1.352 -30.608 24.653 492 H GLU 59 HN GLU 59 4.062 -31.461 23.859 493 HA GLU 59 HA GLU 59 3.608 -32.279 26.630 494 HB2 GLU 59 HB2 GLU 59 2.630 -33.536 24.676 495 HB3 GLU 59 HB1 GLU 59 4.272 -34.027 24.256 496 HG2 GLU 59 HG2 GLU 59 4.551 -35.122 26.414 497 HG3 GLU 59 HG1 GLU 59 2.987 -34.521 26.960 498 H SER 60 HN SER 60 6.203 -31.405 24.611 499 HA SER 60 HA SER 60 8.219 -33.167 25.422 500 HB2 SER 60 HB2 SER 60 9.784 -31.478 24.681 501 HB3 SER 60 HB1 SER 60 8.410 -31.514 23.582 502 HG SER 60 HG SER 60 8.353 -29.446 24.025 503 H GLN 61 HN GLN 61 7.654 -29.877 26.681 504 HA GLN 61 HA GLN 61 9.021 -30.671 29.184 505 HB2 GLN 61 HB2 GLN 61 9.468 -28.483 27.487 506 HB3 GLN 61 HB1 GLN 61 8.626 -27.792 28.869 507 HG2 GLN 61 HG2 GLN 61 10.960 -27.721 29.368 508 HG3 GLN 61 HG1 GLN 61 10.269 -29.014 30.346 509 HE21 GLN 61 HE21 GLN 61 12.066 -30.426 30.448 510 HE22 GLN 61 HE22 GLN 61 12.781 -31.127 29.077 511 HA PRO 62 HA PRO 62 5.091 -28.646 30.693 512 HB2 PRO 62 HB2 PRO 62 3.399 -27.400 28.929 513 HB3 PRO 62 HB1 PRO 62 4.880 -26.641 29.528 514 HG2 PRO 62 HG2 PRO 62 4.282 -27.684 26.852 515 HG3 PRO 62 HG1 PRO 62 5.553 -26.564 27.355 516 HD2 PRO 62 HD2 PRO 62 5.796 -29.424 26.862 517 HD3 PRO 62 HD1 PRO 62 7.063 -28.260 27.242 518 H SER 63 HN SER 63 5.039 -31.212 30.286 519 HA SER 63 HA SER 63 2.596 -32.076 28.939 520 HB2 SER 63 HB2 SER 63 3.335 -34.280 29.315 521 HB3 SER 63 HB1 SER 63 4.803 -33.378 28.952 522 HG SER 63 HG SER 63 4.044 -34.652 31.235 523 H SER 64 HN SER 64 3.332 -30.663 31.823 524 HA SER 64 HA SER 64 1.792 -32.276 33.630 525 HB2 SER 64 HB2 SER 64 1.956 -30.227 35.103 526 HB3 SER 64 HB1 SER 64 3.497 -30.905 34.586 527 HG SER 64 HG SER 64 2.696 -28.458 34.276 528 H GLU 65 HN GLU 65 0.477 -31.405 31.132 529 HA GLU 65 HA GLU 65 -1.725 -30.990 30.585 530 HB2 GLU 65 HB2 GLU 65 -2.104 -31.654 33.101 531 HB3 GLU 65 HB1 GLU 65 -2.303 -29.920 33.340 532 HG2 GLU 65 HG2 GLU 65 -4.069 -29.864 31.647 533 HG3 GLU 65 HG1 GLU 65 -3.858 -31.589 31.350 534 H ARG 66 HN ARG 66 0.618 -28.913 31.449 535 HA ARG 66 HA ARG 66 -0.741 -26.409 31.487 536 HB2 ARG 66 HB2 ARG 66 2.129 -27.178 30.971 537 HB3 ARG 66 HB1 ARG 66 1.573 -25.503 30.973 538 HG2 ARG 66 HG2 ARG 66 0.706 -25.806 33.275 539 HG3 ARG 66 HG1 ARG 66 1.307 -27.465 33.271 540 HD2 ARG 66 HD2 ARG 66 3.049 -25.024 32.840 541 HD3 ARG 66 HD1 ARG 66 2.858 -25.841 34.389 542 HE ARG 66 HE ARG 66 3.608 -27.833 32.652 543 HH11 ARG 66 HH21 ARG 66 4.834 -24.728 33.571 544 HH12 ARG 66 HH22 ARG 66 6.495 -25.166 33.346 545 HH21 ARG 66 HH11 ARG 66 5.784 -28.411 32.357 546 HH22 ARG 66 HH12 ARG 66 7.032 -27.251 32.658 547 H LEU 67 HN LEU 67 0.112 -28.596 28.986 548 HA LEU 67 HA LEU 67 0.571 -26.997 26.792 549 HB2 LEU 67 HB2 LEU 67 -0.665 -28.766 25.481 550 HB3 LEU 67 HB1 LEU 67 0.649 -29.349 26.505 551 HG LEU 67 HG LEU 67 -1.866 -29.275 28.022 552 HD11 LEU 67 HD11 LEU 67 -1.847 -31.064 25.579 553 HD12 LEU 67 HD12 LEU 67 -2.864 -29.640 25.782 554 HD13 LEU 67 HD13 LEU 67 -3.074 -31.030 26.847 555 HD21 LEU 67 HD21 LEU 67 0.023 -31.509 27.213 556 HD22 LEU 67 HD22 LEU 67 -1.255 -31.659 28.420 557 HD23 LEU 67 HD23 LEU 67 0.100 -30.565 28.699 558 H ASN 68 HN ASN 68 -2.265 -27.202 28.721 559 HA ASN 68 HA ASN 68 -4.329 -26.560 27.002 560 HB2 ASN 68 HB2 ASN 68 -4.696 -26.948 29.382 561 HB3 ASN 68 HB1 ASN 68 -3.812 -25.477 29.783 562 HD21 ASN 68 HD21 ASN 68 -6.326 -25.443 30.766 563 HD22 ASN 68 HD22 ASN 68 -7.365 -24.491 29.820 564 H ALA 69 HN ALA 69 -1.855 -24.433 28.378 565 HA ALA 69 HA ALA 69 -2.934 -22.022 27.280 566 HB1 ALA 69 HB1 ALA 69 -0.907 -20.985 28.000 567 HB2 ALA 69 HB2 ALA 69 -0.055 -22.529 28.038 568 HB3 ALA 69 HB3 ALA 69 -1.316 -22.187 29.223 569 H PHE 70 HN PHE 70 -0.536 -24.386 26.235 570 HA PHE 70 HA PHE 70 0.269 -22.929 23.898 571 HB2 PHE 70 HB2 PHE 70 0.658 -25.788 24.789 572 HB3 PHE 70 HB1 PHE 70 1.269 -25.180 23.253 573 HD1 PHE 70 HD2 PHE 70 1.505 -24.867 26.934 574 HD2 PHE 70 HD1 PHE 70 3.128 -23.643 23.152 575 HE1 PHE 70 HE2 PHE 70 3.471 -23.899 28.092 576 HE2 PHE 70 HE1 PHE 70 5.094 -22.672 24.309 577 HZ PHE 70 HZ PHE 70 5.266 -22.800 26.780 578 H ARG 71 HN ARG 71 -2.265 -25.160 24.682 579 HA ARG 71 HA ARG 71 -2.890 -26.122 22.128 580 HB2 ARG 71 HB2 ARG 71 -4.545 -25.655 24.600 581 HB3 ARG 71 HB1 ARG 71 -5.255 -26.310 23.125 582 HG2 ARG 71 HG2 ARG 71 -2.745 -27.573 24.211 583 HG3 ARG 71 HG1 ARG 71 -4.287 -27.946 24.978 584 HD2 ARG 71 HD2 ARG 71 -5.201 -28.614 22.768 585 HD3 ARG 71 HD1 ARG 71 -3.629 -28.305 22.039 586 HE ARG 71 HE ARG 71 -3.064 -30.057 24.046 587 HH11 ARG 71 HH21 ARG 71 -5.342 -29.950 21.446 588 HH12 ARG 71 HH22 ARG 71 -5.368 -31.666 21.216 589 HH21 ARG 71 HH11 ARG 71 -3.092 -32.302 23.755 590 HH22 ARG 71 HH12 ARG 71 -4.092 -32.999 22.525 591 H GLU 72 HN GLU 72 -3.728 -23.128 23.773 592 HA GLU 72 HA GLU 72 -5.728 -22.163 22.108 593 HB2 GLU 72 HB2 GLU 72 -3.475 -20.695 23.499 594 HB3 GLU 72 HB1 GLU 72 -4.836 -19.887 22.720 595 HG2 GLU 72 HG2 GLU 72 -6.406 -21.060 24.188 596 HG3 GLU 72 HG1 GLU 72 -5.076 -21.943 24.935 597 H LEU 73 HN LEU 73 -2.201 -21.901 21.768 598 HA LEU 73 HA LEU 73 -2.244 -20.501 19.309 599 HB2 LEU 73 HB2 LEU 73 -0.233 -20.568 20.704 600 HB3 LEU 73 HB1 LEU 73 -0.114 -22.313 20.484 601 HG LEU 73 HG LEU 73 0.212 -22.005 18.060 602 HD11 LEU 73 HD11 LEU 73 0.708 -19.481 17.414 603 HD12 LEU 73 HD12 LEU 73 -0.364 -19.137 18.774 604 HD13 LEU 73 HD13 LEU 73 -0.946 -20.089 17.410 605 HD21 LEU 73 HD21 LEU 73 2.052 -20.170 19.619 606 HD22 LEU 73 HD22 LEU 73 2.435 -21.059 18.144 607 HD23 LEU 73 HD23 LEU 73 2.156 -21.931 19.651 608 H ARG 74 HN ARG 74 -2.203 -23.919 20.156 609 HA ARG 74 HA ARG 74 -1.784 -24.975 17.580 610 HB2 ARG 74 HB2 ARG 74 -1.599 -26.298 19.678 611 HB3 ARG 74 HB1 ARG 74 -3.350 -26.199 19.865 612 HG2 ARG 74 HG2 ARG 74 -3.637 -27.325 17.680 613 HG3 ARG 74 HG1 ARG 74 -1.884 -27.455 17.532 614 HD2 ARG 74 HD2 ARG 74 -1.865 -28.742 19.683 615 HD3 ARG 74 HD1 ARG 74 -3.626 -28.717 19.657 616 HE ARG 74 HE ARG 74 -2.477 -29.761 17.224 617 HH11 ARG 74 HH21 ARG 74 -3.444 -30.425 20.474 618 HH12 ARG 74 HH22 ARG 74 -3.695 -32.117 20.204 619 HH21 ARG 74 HH11 ARG 74 -2.798 -31.985 16.858 620 HH22 ARG 74 HH12 ARG 74 -3.328 -33.000 18.158 621 H THR 75 HN THR 75 -4.665 -23.939 19.313 622 HA THR 75 HA THR 75 -6.621 -24.943 17.590 623 HB THR 75 HB THR 75 -6.777 -22.315 19.001 624 HG1 THR 75 HG1 THR 75 -6.557 -23.402 20.761 625 HG21 THR 75 HG21 THR 75 -8.867 -24.407 18.409 626 HG22 THR 75 HG22 THR 75 -8.607 -22.957 17.438 627 HG23 THR 75 HG23 THR 75 -9.142 -22.815 19.113 628 H GLN 76 HN GLN 76 -4.790 -21.917 17.497 629 HA GLN 76 HA GLN 76 -6.093 -20.721 15.325 630 HB2 GLN 76 HB2 GLN 76 -4.414 -19.592 16.786 631 HB3 GLN 76 HB1 GLN 76 -3.148 -20.547 16.015 632 HG2 GLN 76 HG2 GLN 76 -3.260 -18.358 14.946 633 HG3 GLN 76 HG1 GLN 76 -3.821 -19.581 13.807 634 HE21 GLN 76 HE21 GLN 76 -5.281 -18.222 12.624 635 HE22 GLN 76 HE22 GLN 76 -6.664 -17.536 13.331 636 H LEU 77 HN LEU 77 -3.328 -22.948 15.420 637 HA LEU 77 HA LEU 77 -2.845 -22.996 12.630 638 HB2 LEU 77 HB2 LEU 77 -2.337 -25.232 14.607 639 HB3 LEU 77 HB1 LEU 77 -1.518 -24.965 13.068 640 HG LEU 77 HG LEU 77 -1.431 -23.106 15.465 641 HD11 LEU 77 HD11 LEU 77 0.586 -25.018 14.274 642 HD12 LEU 77 HD12 LEU 77 -0.098 -25.053 15.901 643 HD13 LEU 77 HD13 LEU 77 1.005 -23.759 15.436 644 HD21 LEU 77 HD21 LEU 77 -0.349 -22.917 12.652 645 HD22 LEU 77 HD22 LEU 77 0.468 -22.092 13.981 646 HD23 LEU 77 HD23 LEU 77 -1.203 -21.692 13.591 647 H GLU 78 HN GLU 78 -4.890 -24.942 14.751 648 HA GLU 78 HA GLU 78 -5.738 -26.776 12.744 649 HB2 GLU 78 HB2 GLU 78 -5.920 -27.229 15.175 650 HB3 GLU 78 HB1 GLU 78 -7.140 -25.961 15.305 651 HG2 GLU 78 HG2 GLU 78 -8.598 -27.172 13.745 652 HG3 GLU 78 HG1 GLU 78 -7.371 -28.420 13.545 653 H LYS 79 HN LYS 79 -7.067 -23.742 14.010 654 HA LYS 79 HA LYS 79 -9.476 -23.798 12.529 655 HB2 LYS 79 HB2 LYS 79 -9.077 -22.349 14.511 656 HB3 LYS 79 HB1 LYS 79 -7.950 -21.392 13.548 657 HG2 LYS 79 HG2 LYS 79 -9.709 -20.797 11.985 658 HG3 LYS 79 HG1 LYS 79 -10.853 -21.857 12.810 659 HD2 LYS 79 HD2 LYS 79 -9.481 -19.718 14.429 660 HD3 LYS 79 HD1 LYS 79 -10.787 -19.238 13.347 661 HE2 LYS 79 HE2 LYS 79 -10.985 -21.375 15.491 662 HE3 LYS 79 HE1 LYS 79 -11.648 -19.743 15.606 663 HZ1 LYS 79 HZ1 LYS 79 -12.770 -20.401 13.372 664 HZ2 LYS 79 HZ2 LYS 79 -13.447 -20.910 14.845 665 HZ3 LYS 79 HZ3 LYS 79 -12.512 -21.985 13.918 666 H ALA 80 HN ALA 80 -6.309 -22.312 11.957 667 HA ALA 80 HA ALA 80 -7.008 -21.106 9.495 668 HB1 ALA 80 HB1 ALA 80 -4.224 -22.027 10.204 669 HB2 ALA 80 HB2 ALA 80 -4.959 -20.621 10.971 670 HB3 ALA 80 HB3 ALA 80 -4.703 -20.638 9.226 671 H LEU 81 HN LEU 81 -5.561 -24.204 10.361 672 HA LEU 81 HA LEU 81 -5.065 -25.000 7.718 673 HB2 LEU 81 HB2 LEU 81 -4.021 -26.141 9.629 674 HB3 LEU 81 HB1 LEU 81 -5.597 -26.701 10.177 675 HG LEU 81 HG LEU 81 -4.179 -28.395 8.877 676 HD11 LEU 81 HD11 LEU 81 -6.677 -28.203 7.273 677 HD12 LEU 81 HD12 LEU 81 -6.924 -28.155 9.018 678 HD13 LEU 81 HD13 LEU 81 -6.073 -29.522 8.287 679 HD21 LEU 81 HD21 LEU 81 -5.102 -26.886 6.419 680 HD22 LEU 81 HD22 LEU 81 -3.917 -28.192 6.523 681 HD23 LEU 81 HD23 LEU 81 -3.522 -26.586 7.145 682 H GLY 82 HN GLY 82 -7.770 -25.721 9.907 683 HA2 GLY 82 HA2 GLY 82 -9.272 -27.250 8.063 684 HA3 GLY 82 HA1 GLY 82 -9.907 -26.471 9.510 685 H LEU 83 HN LEU 83 -8.698 -23.897 8.382 686 HA LEU 83 HA LEU 83 -9.495 -22.051 7.282 687 HB2 LEU 83 HB2 LEU 83 -10.260 -24.208 5.304 688 HB3 LEU 83 HB1 LEU 83 -10.365 -22.481 4.963 689 HG LEU 83 HG LEU 83 -7.808 -23.789 5.919 690 HD11 LEU 83 HD11 LEU 83 -7.092 -23.913 3.584 691 HD12 LEU 83 HD12 LEU 83 -8.641 -23.264 3.050 692 HD13 LEU 83 HD13 LEU 83 -8.566 -24.857 3.804 693 HD21 LEU 83 HD21 LEU 83 -7.598 -21.444 6.162 694 HD22 LEU 83 HD22 LEU 83 -8.549 -21.113 4.715 695 HD23 LEU 83 HD23 LEU 83 -6.904 -21.732 4.568 696 H GLU 84 HN GLU 84 -11.136 -22.971 9.303 697 HA GLU 84 HA GLU 84 -13.839 -23.313 8.497 698 HB2 GLU 84 HB2 GLU 84 -12.617 -22.358 11.095 699 HB3 GLU 84 HB1 GLU 84 -14.339 -22.679 10.875 700 HG2 GLU 84 HG2 GLU 84 -13.868 -25.000 10.281 701 HG3 GLU 84 HG1 GLU 84 -12.133 -24.700 10.385 702 H HIS 85 HN HIS 85 -15.063 -21.859 7.500 703 HA HIS 85 HA HIS 85 -15.195 -19.126 8.456 704 HB2 HIS 85 HB2 HIS 85 -14.180 -19.754 5.676 705 HB3 HIS 85 HB1 HIS 85 -14.746 -18.164 6.188 706 HD2 HIS 85 HD2 HIS 85 -13.010 -16.805 8.002 707 HE1 HIS 85 HE1 HIS 85 -9.887 -19.640 7.803 708 HE2 HIS 85 HE2 HIS 85 -10.529 -17.326 8.630 709 H HIS 86 HN HIS 86 -16.556 -17.957 6.404 710 HA HIS 86 HA HIS 86 -19.159 -18.961 6.717 711 HB2 HIS 86 HB2 HIS 86 -18.672 -16.620 6.130 712 HB3 HIS 86 HB1 HIS 86 -18.095 -17.137 4.546 713 HD2 HIS 86 HD2 HIS 86 -20.106 -17.330 2.652 714 HE1 HIS 86 HE1 HIS 86 -23.402 -17.284 5.290 715 HE2 HIS 86 HE2 HIS 86 -22.710 -17.287 2.847 716 H HIS 87 HN HIS 87 -16.807 -19.371 4.089 717 HA HIS 87 HA HIS 87 -18.606 -20.884 2.432 718 HB2 HIS 87 HB2 HIS 87 -15.614 -20.465 2.362 719 HB3 HIS 87 HB1 HIS 87 -16.481 -21.438 1.175 720 HD2 HIS 87 HD2 HIS 87 -18.030 -19.959 -0.676 721 HE1 HIS 87 HE1 HIS 87 -16.947 -16.142 0.766 722 HE2 HIS 87 HE2 HIS 87 -18.133 -17.385 -1.105 723 H HIS 88 HN HIS 88 -18.764 -23.086 2.186 724 HA HIS 88 HA HIS 88 -17.816 -24.695 4.417 725 HB2 HIS 88 HB2 HIS 88 -19.544 -25.374 2.025 726 HB3 HIS 88 HB1 HIS 88 -19.166 -26.488 3.338 727 HD2 HIS 88 HD2 HIS 88 -20.343 -25.772 5.880 728 HE1 HIS 88 HE1 HIS 88 -22.948 -22.871 4.261 729 HE2 HIS 88 HE2 HIS 88 -22.401 -24.231 6.335 730 H HIS 89 HN HIS 89 -15.822 -25.449 4.369 731 HA HIS 89 HA HIS 89 -13.764 -26.126 3.539 732 HB2 HIS 89 HB2 HIS 89 -15.702 -28.087 2.299 733 HB3 HIS 89 HB1 HIS 89 -13.962 -28.343 2.430 734 HD2 HIS 89 HD2 HIS 89 -17.123 -28.695 4.623 735 HE1 HIS 89 HE1 HIS 89 -13.806 -29.210 7.184 736 HE2 HIS 89 HE2 HIS 89 -16.329 -29.427 6.999 737 H HIS 90 HN HIS 90 -13.056 -27.430 1.159 738 HA HIS 90 HA HIS 90 -12.623 -25.214 -0.553 739 HB2 HIS 90 HB2 HIS 90 -11.624 -26.817 -2.100 740 HB3 HIS 90 HB1 HIS 90 -11.096 -27.164 -0.453 741 HD2 HIS 90 HD2 HIS 90 -12.965 -28.922 -3.339 742 HE1 HIS 90 HE1 HIS 90 -13.415 -31.368 0.072 743 HE2 HIS 90 HE2 HIS 90 -13.754 -31.244 -2.442 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -9.340 -10.364 11.653 2 H2 MET 1 HT2 MET 1 -9.902 -11.672 12.582 3 H3 MET 1 HT3 MET 1 -9.408 -11.918 10.975 4 HA MET 1 HA MET 1 -7.183 -11.737 11.461 5 HB2 MET 1 HB2 MET 1 -6.461 -10.761 13.706 6 HB3 MET 1 HB1 MET 1 -7.178 -9.617 12.572 7 HG2 MET 1 HG2 MET 1 -8.871 -11.048 14.622 8 HG3 MET 1 HG1 MET 1 -8.018 -9.556 15.019 9 HE1 MET 1 HE1 MET 1 -11.495 -10.456 14.456 10 HE2 MET 1 HE2 MET 1 -11.816 -8.728 14.562 11 HE3 MET 1 HE3 MET 1 -10.625 -9.463 15.632 12 H GLY 2 HN GLY 2 -5.814 -12.896 13.190 13 HA2 GLY 2 HA2 GLY 2 -7.087 -14.573 15.106 14 HA3 GLY 2 HA1 GLY 2 -6.778 -15.464 13.618 15 H VAL 3 HN VAL 3 -5.489 -16.540 15.576 16 HA VAL 3 HA VAL 3 -3.426 -17.146 16.379 17 HB VAL 3 HB VAL 3 -2.255 -15.432 14.186 18 HG11 VAL 3 HG11 VAL 3 -1.352 -18.102 15.287 19 HG12 VAL 3 HG12 VAL 3 -0.809 -16.567 15.961 20 HG13 VAL 3 HG13 VAL 3 -0.432 -16.978 14.288 21 HG21 VAL 3 HG21 VAL 3 -3.546 -18.169 14.045 22 HG22 VAL 3 HG22 VAL 3 -2.431 -17.571 12.817 23 HG23 VAL 3 HG23 VAL 3 -3.958 -16.737 13.103 24 H TRP 4 HN TRP 4 -2.338 -16.440 18.094 25 HA TRP 4 HA TRP 4 -2.447 -13.629 18.817 26 HB2 TRP 4 HB2 TRP 4 -1.572 -16.156 20.197 27 HB3 TRP 4 HB1 TRP 4 -1.172 -14.579 20.882 28 HD1 TRP 4 HD1 TRP 4 -2.947 -13.503 22.327 29 HE1 TRP 4 HE1 TRP 4 -5.465 -13.869 22.741 30 HE3 TRP 4 HE3 TRP 4 -3.907 -17.075 18.808 31 HZ2 TRP 4 HZ2 TRP 4 -7.603 -15.466 21.713 32 HZ3 TRP 4 HZ3 TRP 4 -6.191 -17.998 18.544 33 HH2 TRP 4 HH2 TRP 4 -8.039 -17.199 19.991 34 H THR 5 HN THR 5 -0.734 -12.301 19.201 35 HA THR 5 HA THR 5 1.262 -12.099 17.417 36 HB THR 5 HB THR 5 2.552 -11.109 19.649 37 HG1 THR 5 HG1 THR 5 1.185 -11.466 21.193 38 HG21 THR 5 HG21 THR 5 0.267 -9.862 18.095 39 HG22 THR 5 HG22 THR 5 1.979 -9.784 17.685 40 HG23 THR 5 HG23 THR 5 1.382 -8.968 19.130 41 HA PRO 6 HA PRO 6 4.505 -15.073 17.765 42 HB2 PRO 6 HB2 PRO 6 6.274 -12.826 18.710 43 HB3 PRO 6 HB1 PRO 6 6.581 -14.049 17.463 44 HG2 PRO 6 HG2 PRO 6 5.912 -11.579 16.787 45 HG3 PRO 6 HG1 PRO 6 5.274 -12.973 15.892 46 HD2 PRO 6 HD2 PRO 6 3.869 -11.184 17.825 47 HD3 PRO 6 HD1 PRO 6 3.226 -12.078 16.433 48 H GLU 7 HN GLU 7 6.458 -15.613 19.430 49 HA GLU 7 HA GLU 7 5.488 -16.626 21.746 50 HB2 GLU 7 HB2 GLU 7 7.767 -16.473 22.688 51 HB3 GLU 7 HB1 GLU 7 7.786 -17.011 21.008 52 HG2 GLU 7 HG2 GLU 7 8.288 -14.705 20.277 53 HG3 GLU 7 HG1 GLU 7 8.279 -14.172 21.957 54 H VAL 8 HN VAL 8 5.849 -13.281 21.051 55 HA VAL 8 HA VAL 8 6.276 -11.994 23.419 56 HB VAL 8 HB VAL 8 4.219 -11.438 21.269 57 HG11 VAL 8 HG11 VAL 8 3.328 -10.296 23.141 58 HG12 VAL 8 HG12 VAL 8 4.283 -9.074 22.301 59 HG13 VAL 8 HG13 VAL 8 4.929 -9.859 23.743 60 HG21 VAL 8 HG21 VAL 8 6.592 -11.297 20.613 61 HG22 VAL 8 HG22 VAL 8 6.898 -10.184 21.947 62 HG23 VAL 8 HG23 VAL 8 5.844 -9.700 20.617 63 H LEU 9 HN LEU 9 3.549 -13.974 22.516 64 HA LEU 9 HA LEU 9 1.736 -13.151 24.517 65 HB2 LEU 9 HB2 LEU 9 0.992 -14.505 22.666 66 HB3 LEU 9 HB1 LEU 9 2.083 -15.809 23.124 67 HG LEU 9 HG LEU 9 0.253 -14.947 25.308 68 HD11 LEU 9 HD11 LEU 9 -0.824 -16.126 22.743 69 HD12 LEU 9 HD12 LEU 9 -1.390 -14.699 23.609 70 HD13 LEU 9 HD13 LEU 9 -1.653 -16.303 24.291 71 HD21 LEU 9 HD21 LEU 9 0.606 -17.718 24.140 72 HD22 LEU 9 HD22 LEU 9 0.195 -17.270 25.796 73 HD23 LEU 9 HD23 LEU 9 1.827 -17.002 25.190 74 H LYS 10 HN LYS 10 4.251 -15.640 24.450 75 HA LYS 10 HA LYS 10 3.767 -16.692 27.032 76 HB2 LYS 10 HB2 LYS 10 5.139 -17.810 25.278 77 HB3 LYS 10 HB1 LYS 10 6.384 -16.586 25.524 78 HG2 LYS 10 HG2 LYS 10 6.627 -17.253 27.866 79 HG3 LYS 10 HG1 LYS 10 5.313 -18.414 27.695 80 HD2 LYS 10 HD2 LYS 10 7.285 -19.716 27.469 81 HD3 LYS 10 HD1 LYS 10 6.712 -19.479 25.820 82 HE2 LYS 10 HE2 LYS 10 8.350 -17.791 25.389 83 HE3 LYS 10 HE1 LYS 10 8.763 -17.651 27.097 84 HZ1 LYS 10 HZ1 LYS 10 10.064 -19.182 25.303 85 HZ2 LYS 10 HZ2 LYS 10 9.036 -20.314 26.043 86 HZ3 LYS 10 HZ3 LYS 10 10.116 -19.400 26.984 87 H ALA 11 HN ALA 11 5.841 -14.088 25.836 88 HA ALA 11 HA ALA 11 7.152 -13.530 28.286 89 HB1 ALA 11 HB1 ALA 11 7.915 -12.707 26.059 90 HB2 ALA 11 HB2 ALA 11 7.785 -11.423 27.260 91 HB3 ALA 11 HB3 ALA 11 6.535 -11.609 26.029 92 H ARG 12 HN ARG 12 4.095 -12.513 26.888 93 HA ARG 12 HA ARG 12 3.501 -10.383 28.626 94 HB2 ARG 12 HB2 ARG 12 2.254 -11.046 26.516 95 HB3 ARG 12 HB1 ARG 12 1.490 -12.314 27.471 96 HG2 ARG 12 HG2 ARG 12 -0.080 -10.625 27.756 97 HG3 ARG 12 HG1 ARG 12 0.966 -10.287 29.133 98 HD2 ARG 12 HD2 ARG 12 0.562 -8.205 27.968 99 HD3 ARG 12 HD1 ARG 12 2.236 -8.671 27.681 100 HE ARG 12 HE ARG 12 0.415 -9.623 25.651 101 HH11 ARG 12 HH21 ARG 12 2.373 -7.012 26.791 102 HH12 ARG 12 HH22 ARG 12 2.564 -6.288 25.229 103 HH21 ARG 12 HH11 ARG 12 0.660 -8.683 23.596 104 HH22 ARG 12 HH12 ARG 12 1.592 -7.234 23.420 105 H ALA 13 HN ALA 13 2.762 -13.857 28.863 106 HA ALA 13 HA ALA 13 1.574 -13.539 31.497 107 HB1 ALA 13 HB1 ALA 13 2.203 -15.963 29.798 108 HB2 ALA 13 HB2 ALA 13 0.623 -15.227 30.066 109 HB3 ALA 13 HB3 ALA 13 1.447 -16.052 31.390 110 H SER 14 HN SER 14 4.495 -14.957 30.088 111 HA SER 14 HA SER 14 5.619 -15.790 32.578 112 HB2 SER 14 HB2 SER 14 6.246 -16.769 30.368 113 HB3 SER 14 HB1 SER 14 7.043 -15.253 29.961 114 HG SER 14 HG SER 14 7.704 -16.300 32.423 115 H VAL 15 HN VAL 15 5.270 -12.786 31.058 116 HA VAL 15 HA VAL 15 6.003 -10.676 31.568 117 HB VAL 15 HB VAL 15 7.216 -11.835 34.077 118 HG11 VAL 15 HG11 VAL 15 6.828 -9.658 34.977 119 HG12 VAL 15 HG12 VAL 15 5.784 -9.208 33.629 120 HG13 VAL 15 HG13 VAL 15 7.517 -9.390 33.377 121 HG21 VAL 15 HG21 VAL 15 5.015 -12.767 34.042 122 HG22 VAL 15 HG22 VAL 15 4.320 -11.281 33.396 123 HG23 VAL 15 HG23 VAL 15 4.904 -11.331 35.058 124 H ILE 16 HN ILE 16 8.562 -12.697 33.017 125 HA ILE 16 HA ILE 16 10.571 -11.188 31.478 126 HB ILE 16 HB ILE 16 10.997 -13.138 33.749 127 HG12 ILE 16 HG12 ILE 16 9.627 -11.297 34.554 128 HG13 ILE 16 HG11 ILE 16 11.273 -11.067 35.132 129 HG21 ILE 16 HG21 ILE 16 12.977 -12.769 32.376 130 HG22 ILE 16 HG22 ILE 16 13.170 -11.914 33.907 131 HG23 ILE 16 HG23 ILE 16 12.735 -11.024 32.448 132 HD11 ILE 16 HD11 ILE 16 11.565 -9.616 32.967 133 HD12 ILE 16 HD12 ILE 16 10.711 -8.929 34.345 134 HD13 ILE 16 HD13 ILE 16 9.804 -9.566 32.975 135 H GLY 17 HN GLY 17 11.707 -12.069 29.885 136 HA2 GLY 17 HA2 GLY 17 10.989 -14.311 28.494 137 HA3 GLY 17 HA1 GLY 17 12.623 -13.649 28.472 138 H LYS 18 HN LYS 18 11.752 -16.452 28.362 139 HA LYS 18 HA LYS 18 13.507 -17.480 30.454 140 HB2 LYS 18 HB2 LYS 18 11.109 -17.417 31.350 141 HB3 LYS 18 HB1 LYS 18 10.754 -18.673 30.163 142 HG2 LYS 18 HG2 LYS 18 12.779 -19.931 31.143 143 HG3 LYS 18 HG1 LYS 18 12.682 -18.791 32.486 144 HD2 LYS 18 HD2 LYS 18 10.238 -19.439 32.714 145 HD3 LYS 18 HD1 LYS 18 10.564 -20.747 31.575 146 HE2 LYS 18 HE2 LYS 18 11.941 -20.314 34.242 147 HE3 LYS 18 HE1 LYS 18 10.776 -21.584 33.864 148 HZ1 LYS 18 HZ1 LYS 18 13.425 -21.212 32.574 149 HZ2 LYS 18 HZ2 LYS 18 12.298 -22.419 32.177 150 HZ3 LYS 18 HZ3 LYS 18 13.032 -22.409 33.710 151 HA PRO 19 HA PRO 19 13.435 -19.550 26.187 152 HB2 PRO 19 HB2 PRO 19 16.088 -18.999 25.601 153 HB3 PRO 19 HB1 PRO 19 14.724 -17.982 25.095 154 HG2 PRO 19 HG2 PRO 19 16.572 -17.657 27.415 155 HG3 PRO 19 HG1 PRO 19 15.934 -16.432 26.304 156 HD2 PRO 19 HD2 PRO 19 14.910 -16.761 28.783 157 HD3 PRO 19 HD1 PRO 19 13.878 -16.310 27.407 158 H ILE 20 HN ILE 20 14.143 -21.637 25.885 159 HA ILE 20 HA ILE 20 15.463 -22.918 28.137 160 HB ILE 20 HB ILE 20 14.912 -25.014 26.962 161 HG12 ILE 20 HG12 ILE 20 13.652 -23.178 24.903 162 HG13 ILE 20 HG11 ILE 20 15.165 -24.057 24.674 163 HG21 ILE 20 HG21 ILE 20 12.498 -23.193 26.931 164 HG22 ILE 20 HG22 ILE 20 13.268 -23.687 28.438 165 HG23 ILE 20 HG23 ILE 20 12.573 -24.901 27.367 166 HD11 ILE 20 HD11 ILE 20 12.415 -25.247 25.115 167 HD12 ILE 20 HD12 ILE 20 13.903 -26.191 25.180 168 HD13 ILE 20 HD13 ILE 20 13.427 -25.397 23.682 169 H GLY 21 HN GLY 21 17.392 -23.975 28.083 170 HA2 GLY 21 HA2 GLY 21 19.437 -22.952 26.413 171 HA3 GLY 21 HA1 GLY 21 19.586 -24.337 27.496 172 H GLU 22 HN GLU 22 20.735 -24.134 24.885 173 HA GLU 22 HA GLU 22 21.156 -25.599 23.163 174 HB2 GLU 22 HB2 GLU 22 18.708 -27.147 24.062 175 HB3 GLU 22 HB1 GLU 22 19.958 -27.693 22.964 176 HG2 GLU 22 HG2 GLU 22 21.642 -27.551 24.728 177 HG3 GLU 22 HG1 GLU 22 20.446 -26.920 25.855 178 H SER 23 HN SER 23 20.119 -26.335 21.073 179 HA SER 23 HA SER 23 18.719 -24.151 19.926 180 HB2 SER 23 HB2 SER 23 18.839 -26.874 18.654 181 HB3 SER 23 HB1 SER 23 18.879 -25.288 17.887 182 HG SER 23 HG SER 23 20.958 -25.541 17.975 183 H TYR 24 HN TYR 24 17.656 -26.872 21.685 184 HA TYR 24 HA TYR 24 15.256 -27.628 20.607 185 HB2 TYR 24 HB2 TYR 24 16.169 -27.220 23.443 186 HB3 TYR 24 HB1 TYR 24 14.482 -27.638 23.143 187 HD1 TYR 24 HD1 TYR 24 17.959 -28.685 22.199 188 HD2 TYR 24 HD2 TYR 24 13.894 -29.894 22.894 189 HE1 TYR 24 HE1 TYR 24 18.608 -31.059 21.889 190 HE2 TYR 24 HE2 TYR 24 14.546 -32.265 22.585 191 HH TYR 24 HH TYR 24 17.282 -33.472 22.892 192 H LYS 25 HN LYS 25 16.123 -24.508 21.744 193 HA LYS 25 HA LYS 25 13.537 -23.493 22.327 194 HB2 LYS 25 HB2 LYS 25 15.532 -22.329 23.083 195 HB3 LYS 25 HB1 LYS 25 16.059 -22.090 21.416 196 HG2 LYS 25 HG2 LYS 25 14.338 -20.546 20.957 197 HG3 LYS 25 HG1 LYS 25 13.367 -21.075 22.329 198 HD2 LYS 25 HD2 LYS 25 14.388 -18.916 22.832 199 HD3 LYS 25 HD1 LYS 25 15.095 -20.159 23.862 200 HE2 LYS 25 HE2 LYS 25 16.765 -18.568 22.799 201 HE3 LYS 25 HE1 LYS 25 17.073 -20.279 22.509 202 HZ1 LYS 25 HZ1 LYS 25 17.215 -18.808 20.509 203 HZ2 LYS 25 HZ2 LYS 25 15.538 -18.571 20.635 204 HZ3 LYS 25 HZ3 LYS 25 16.160 -20.126 20.353 205 H ARG 26 HN ARG 26 14.716 -24.705 19.512 206 HA ARG 26 HA ARG 26 13.936 -22.874 17.544 207 HB2 ARG 26 HB2 ARG 26 15.295 -24.882 17.090 208 HB3 ARG 26 HB1 ARG 26 13.881 -25.893 17.396 209 HG2 ARG 26 HG2 ARG 26 12.685 -24.865 15.540 210 HG3 ARG 26 HG1 ARG 26 14.004 -23.723 15.279 211 HD2 ARG 26 HD2 ARG 26 14.308 -26.729 15.083 212 HD3 ARG 26 HD1 ARG 26 14.022 -25.680 13.698 213 HE ARG 26 HE ARG 26 16.224 -24.625 15.025 214 HH11 ARG 26 HH21 ARG 26 15.298 -27.587 13.495 215 HH12 ARG 26 HH22 ARG 26 16.907 -27.994 13.000 216 HH21 ARG 26 HH11 ARG 26 18.334 -25.150 14.379 217 HH22 ARG 26 HH12 ARG 26 18.627 -26.613 13.500 218 H ILE 27 HN ILE 27 12.092 -24.843 19.668 219 HA ILE 27 HA ILE 27 9.750 -25.222 18.194 220 HB ILE 27 HB ILE 27 10.065 -26.324 20.327 221 HG12 ILE 27 HG12 ILE 27 7.819 -24.319 20.688 222 HG13 ILE 27 HG11 ILE 27 7.726 -25.664 19.551 223 HG21 ILE 27 HG21 ILE 27 9.800 -23.614 21.649 224 HG22 ILE 27 HG22 ILE 27 11.355 -24.375 21.330 225 HG23 ILE 27 HG23 ILE 27 10.200 -25.147 22.415 226 HD11 ILE 27 HD11 ILE 27 7.926 -27.280 21.309 227 HD12 ILE 27 HD12 ILE 27 6.716 -26.112 21.836 228 HD13 ILE 27 HD13 ILE 27 8.353 -26.038 22.486 229 H LEU 28 HN LEU 28 10.800 -22.488 20.187 230 HA LEU 28 HA LEU 28 8.391 -20.969 19.570 231 HB2 LEU 28 HB2 LEU 28 10.827 -20.540 21.273 232 HB3 LEU 28 HB1 LEU 28 9.790 -19.172 20.871 233 HG LEU 28 HG LEU 28 8.520 -21.693 21.928 234 HD11 LEU 28 HD11 LEU 28 8.758 -20.662 24.244 235 HD12 LEU 28 HD12 LEU 28 10.003 -19.618 23.556 236 HD13 LEU 28 HD13 LEU 28 10.227 -21.368 23.573 237 HD21 LEU 28 HD21 LEU 28 7.289 -19.591 21.053 238 HD22 LEU 28 HD22 LEU 28 7.844 -18.807 22.527 239 HD23 LEU 28 HD23 LEU 28 6.791 -20.220 22.620 240 H ALA 29 HN ALA 29 11.670 -21.265 18.461 241 HA ALA 29 HA ALA 29 11.847 -18.748 17.149 242 HB1 ALA 29 HB1 ALA 29 13.339 -21.140 16.136 243 HB2 ALA 29 HB2 ALA 29 13.690 -20.546 17.758 244 HB3 ALA 29 HB3 ALA 29 13.898 -19.485 16.365 245 H LYS 30 HN LYS 30 10.903 -21.989 16.057 246 HA LYS 30 HA LYS 30 10.502 -21.242 13.335 247 HB2 LYS 30 HB2 LYS 30 9.512 -23.418 13.072 248 HB3 LYS 30 HB1 LYS 30 10.880 -23.587 14.171 249 HG2 LYS 30 HG2 LYS 30 9.274 -23.391 16.094 250 HG3 LYS 30 HG1 LYS 30 7.949 -23.427 14.933 251 HD2 LYS 30 HD2 LYS 30 8.963 -25.613 14.064 252 HD3 LYS 30 HD1 LYS 30 9.961 -25.600 15.520 253 HE2 LYS 30 HE2 LYS 30 6.988 -25.927 15.271 254 HE3 LYS 30 HE1 LYS 30 8.125 -26.829 16.268 255 HZ1 LYS 30 HZ1 LYS 30 8.417 -24.421 17.304 256 HZ2 LYS 30 HZ2 LYS 30 7.249 -25.521 17.858 257 HZ3 LYS 30 HZ3 LYS 30 6.811 -24.285 16.781 258 H LEU 31 HN LEU 31 8.618 -21.008 16.220 259 HA LEU 31 HA LEU 31 6.041 -20.861 15.083 260 HB2 LEU 31 HB2 LEU 31 6.339 -21.162 17.482 261 HB3 LEU 31 HB1 LEU 31 7.127 -19.591 17.610 262 HG LEU 31 HG LEU 31 5.065 -18.462 16.905 263 HD11 LEU 31 HD11 LEU 31 2.960 -20.034 16.861 264 HD12 LEU 31 HD12 LEU 31 4.133 -21.297 16.483 265 HD13 LEU 31 HD13 LEU 31 3.963 -19.899 15.420 266 HD21 LEU 31 HD21 LEU 31 5.320 -18.855 19.284 267 HD22 LEU 31 HD22 LEU 31 4.686 -20.492 19.124 268 HD23 LEU 31 HD23 LEU 31 3.630 -19.105 18.853 269 H GLN 32 HN GLN 32 8.519 -18.426 15.703 270 HA GLN 32 HA GLN 32 7.044 -16.127 15.110 271 HB2 GLN 32 HB2 GLN 32 9.978 -16.736 14.692 272 HB3 GLN 32 HB1 GLN 32 9.271 -15.127 14.535 273 HG2 GLN 32 HG2 GLN 32 8.506 -15.205 16.856 274 HG3 GLN 32 HG1 GLN 32 9.119 -16.847 17.028 275 HE21 GLN 32 HE21 GLN 32 9.911 -13.686 17.731 276 HE22 GLN 32 HE22 GLN 32 11.601 -13.831 17.767 277 H ARG 33 HN ARG 33 8.742 -18.386 12.989 278 HA ARG 33 HA ARG 33 8.565 -16.934 10.590 279 HB2 ARG 33 HB2 ARG 33 9.883 -19.066 10.999 280 HB3 ARG 33 HB1 ARG 33 8.362 -19.941 10.814 281 HG2 ARG 33 HG2 ARG 33 8.064 -18.880 8.575 282 HG3 ARG 33 HG1 ARG 33 9.646 -18.121 8.756 283 HD2 ARG 33 HD2 ARG 33 10.584 -20.465 9.113 284 HD3 ARG 33 HD1 ARG 33 9.015 -21.071 8.583 285 HE ARG 33 HE ARG 33 9.553 -20.439 6.406 286 HH11 ARG 33 HH21 ARG 33 11.739 -19.067 8.703 287 HH12 ARG 33 HH22 ARG 33 12.859 -18.504 7.509 288 HH21 ARG 33 HH11 ARG 33 11.014 -19.704 4.831 289 HH22 ARG 33 HH12 ARG 33 12.448 -18.864 5.314 290 H ILE 34 HN ILE 34 6.273 -19.020 12.249 291 HA ILE 34 HA ILE 34 4.365 -19.288 10.189 292 HB ILE 34 HB ILE 34 3.815 -19.166 13.162 293 HG12 ILE 34 HG12 ILE 34 5.617 -20.748 12.778 294 HG13 ILE 34 HG11 ILE 34 4.129 -21.649 13.054 295 HG21 ILE 34 HG21 ILE 34 1.814 -19.133 11.732 296 HG22 ILE 34 HG22 ILE 34 1.954 -20.682 12.563 297 HG23 ILE 34 HG23 ILE 34 2.403 -20.551 10.863 298 HD11 ILE 34 HD11 ILE 34 5.033 -22.725 11.179 299 HD12 ILE 34 HD12 ILE 34 5.627 -21.225 10.477 300 HD13 ILE 34 HD13 ILE 34 3.904 -21.599 10.448 301 H HIS 35 HN HIS 35 4.786 -16.839 12.726 302 HA HIS 35 HA HIS 35 2.439 -15.394 12.371 303 HB2 HIS 35 HB2 HIS 35 4.081 -14.941 14.155 304 HB3 HIS 35 HB1 HIS 35 5.211 -14.321 12.952 305 HD2 HIS 35 HD2 HIS 35 4.938 -11.605 12.545 306 HE1 HIS 35 HE1 HIS 35 1.004 -11.176 14.016 307 HE2 HIS 35 HE2 HIS 35 3.009 -9.928 13.083 308 H ASN 36 HN ASN 36 5.584 -14.892 10.737 309 HA ASN 36 HA ASN 36 4.623 -12.858 8.994 310 HB2 ASN 36 HB2 ASN 36 7.012 -13.152 9.517 311 HB3 ASN 36 HB1 ASN 36 7.003 -14.697 8.671 312 HD21 ASN 36 HD21 ASN 36 8.629 -12.390 7.893 313 HD22 ASN 36 HD22 ASN 36 8.108 -11.917 6.348 314 H SER 37 HN SER 37 5.050 -16.358 8.643 315 HA SER 37 HA SER 37 3.934 -16.319 5.940 316 HB2 SER 37 HB2 SER 37 4.865 -18.677 7.583 317 HB3 SER 37 HB1 SER 37 4.538 -18.650 5.852 318 HG SER 37 HG SER 37 6.378 -16.846 6.980 319 H ASN 38 HN ASN 38 2.423 -15.766 8.554 320 HA ASN 38 HA ASN 38 0.706 -17.744 9.326 321 HB2 ASN 38 HB2 ASN 38 -0.960 -15.989 9.758 322 HB3 ASN 38 HB1 ASN 38 0.650 -15.464 10.247 323 HD21 ASN 38 HD21 ASN 38 -1.271 -13.489 9.696 324 HD22 ASN 38 HD22 ASN 38 -0.879 -12.707 8.242 325 H ILE 39 HN ILE 39 -0.562 -19.090 8.272 326 HA ILE 39 HA ILE 39 -1.857 -20.034 6.632 327 HB ILE 39 HB ILE 39 -2.849 -17.256 6.027 328 HG12 ILE 39 HG12 ILE 39 -3.531 -18.991 8.394 329 HG13 ILE 39 HG11 ILE 39 -2.698 -17.445 8.462 330 HG21 ILE 39 HG21 ILE 39 -4.339 -19.872 6.303 331 HG22 ILE 39 HG22 ILE 39 -3.640 -19.332 4.774 332 HG23 ILE 39 HG23 ILE 39 -4.905 -18.379 5.548 333 HD11 ILE 39 HD11 ILE 39 -5.011 -17.023 8.970 334 HD12 ILE 39 HD12 ILE 39 -5.545 -17.955 7.573 335 HD13 ILE 39 HD13 ILE 39 -4.715 -16.416 7.341 336 H LEU 40 HN LEU 40 0.573 -19.916 5.685 337 HA LEU 40 HA LEU 40 0.431 -18.594 3.035 338 HB2 LEU 40 HB2 LEU 40 2.345 -17.939 4.503 339 HB3 LEU 40 HB1 LEU 40 2.881 -19.618 4.487 340 HG LEU 40 HG LEU 40 3.047 -19.518 2.008 341 HD11 LEU 40 HD11 LEU 40 1.978 -16.757 2.499 342 HD12 LEU 40 HD12 LEU 40 1.614 -17.887 1.192 343 HD13 LEU 40 HD13 LEU 40 3.124 -16.982 1.177 344 HD21 LEU 40 HD21 LEU 40 5.017 -19.058 3.420 345 HD22 LEU 40 HD22 LEU 40 4.589 -17.348 3.467 346 HD23 LEU 40 HD23 LEU 40 5.063 -18.098 1.942 347 H ASP 41 HN ASP 41 0.191 -19.839 1.311 348 HA ASP 41 HA ASP 41 -0.348 -22.512 1.292 349 HB2 ASP 41 HB2 ASP 41 0.952 -20.838 -0.854 350 HB3 ASP 41 HB1 ASP 41 0.387 -22.486 -1.123 351 H GLU 42 HN GLU 42 2.826 -21.018 1.039 352 HA GLU 42 HA GLU 42 4.244 -23.443 0.577 353 HB2 GLU 42 HB2 GLU 42 5.089 -20.765 1.667 354 HB3 GLU 42 HB1 GLU 42 6.214 -22.072 1.294 355 HG2 GLU 42 HG2 GLU 42 4.278 -20.858 -0.698 356 HG3 GLU 42 HG1 GLU 42 5.978 -20.411 -0.568 357 H ARG 43 HN ARG 43 3.271 -21.678 3.469 358 HA ARG 43 HA ARG 43 4.740 -23.507 5.214 359 HB2 ARG 43 HB2 ARG 43 4.442 -20.971 5.593 360 HB3 ARG 43 HB1 ARG 43 2.810 -21.373 6.108 361 HG2 ARG 43 HG2 ARG 43 3.981 -21.441 8.129 362 HG3 ARG 43 HG1 ARG 43 3.995 -23.134 7.650 363 HD2 ARG 43 HD2 ARG 43 6.230 -22.261 8.422 364 HD3 ARG 43 HD1 ARG 43 6.253 -22.941 6.802 365 HE ARG 43 HE ARG 43 5.815 -20.059 6.984 366 HH11 ARG 43 HH21 ARG 43 7.994 -22.701 6.511 367 HH12 ARG 43 HH22 ARG 43 9.196 -21.744 5.716 368 HH21 ARG 43 HH11 ARG 43 7.378 -18.800 5.938 369 HH22 ARG 43 HH12 ARG 43 8.849 -19.533 5.393 370 H GLN 44 HN GLN 44 1.597 -23.210 3.856 371 HA GLN 44 HA GLN 44 -0.081 -24.288 5.747 372 HB2 GLN 44 HB2 GLN 44 0.050 -24.562 2.758 373 HB3 GLN 44 HB1 GLN 44 -1.148 -25.490 3.658 374 HG2 GLN 44 HG2 GLN 44 -1.952 -23.367 4.694 375 HG3 GLN 44 HG1 GLN 44 -0.814 -22.476 3.691 376 HE21 GLN 44 HE21 GLN 44 -3.209 -21.615 3.105 377 HE22 GLN 44 HE22 GLN 44 -3.896 -22.354 1.742 378 H GLY 45 HN GLY 45 2.313 -25.974 3.764 379 HA2 GLY 45 HA2 GLY 45 1.529 -28.600 4.516 380 HA3 GLY 45 HA1 GLY 45 3.083 -28.138 3.826 381 H LEU 46 HN LEU 46 4.080 -26.398 5.645 382 HA LEU 46 HA LEU 46 5.075 -28.132 7.635 383 HB2 LEU 46 HB2 LEU 46 6.066 -25.902 6.619 384 HB3 LEU 46 HB1 LEU 46 5.222 -25.147 7.968 385 HG LEU 46 HG LEU 46 7.239 -27.410 8.200 386 HD11 LEU 46 HD11 LEU 46 7.463 -24.449 8.821 387 HD12 LEU 46 HD12 LEU 46 8.333 -25.332 7.566 388 HD13 LEU 46 HD13 LEU 46 8.666 -25.660 9.266 389 HD21 LEU 46 HD21 LEU 46 5.937 -27.699 10.102 390 HD22 LEU 46 HD22 LEU 46 5.474 -25.999 10.176 391 HD23 LEU 46 HD23 LEU 46 7.076 -26.502 10.703 392 H MET 47 HN MET 47 2.637 -25.583 7.683 393 HA MET 47 HA MET 47 2.122 -25.253 10.333 394 HB2 MET 47 HB2 MET 47 0.910 -24.239 8.306 395 HB3 MET 47 HB1 MET 47 -0.128 -25.664 8.365 396 HG2 MET 47 HG2 MET 47 -1.277 -24.095 9.697 397 HG3 MET 47 HG1 MET 47 -0.416 -25.086 10.876 398 HE1 MET 47 HE1 MET 47 -0.212 -22.019 8.582 399 HE2 MET 47 HE2 MET 47 0.218 -20.737 9.711 400 HE3 MET 47 HE3 MET 47 -1.299 -21.608 9.915 401 H HIS 48 HN HIS 48 0.955 -27.917 8.292 402 HA HIS 48 HA HIS 48 -0.573 -29.203 10.302 403 HB2 HIS 48 HB2 HIS 48 -0.843 -29.675 7.898 404 HB3 HIS 48 HB1 HIS 48 0.766 -30.395 7.864 405 HD2 HIS 48 HD2 HIS 48 -2.851 -31.345 8.930 406 HE1 HIS 48 HE1 HIS 48 -0.338 -34.566 9.994 407 HE2 HIS 48 HE2 HIS 48 -2.754 -33.811 9.784 408 H GLU 49 HN GLU 49 2.755 -29.704 9.147 409 HA GLU 49 HA GLU 49 3.320 -31.821 10.984 410 HB2 GLU 49 HB2 GLU 49 5.131 -30.016 9.367 411 HB3 GLU 49 HB1 GLU 49 5.702 -31.378 10.334 412 HG2 GLU 49 HG2 GLU 49 4.290 -32.914 9.039 413 HG3 GLU 49 HG1 GLU 49 3.669 -31.562 8.091 414 H LEU 50 HN LEU 50 3.291 -28.388 11.181 415 HA LEU 50 HA LEU 50 5.158 -27.942 13.222 416 HB2 LEU 50 HB2 LEU 50 3.809 -26.249 11.787 417 HB3 LEU 50 HB1 LEU 50 2.570 -26.415 13.025 418 HG LEU 50 HG LEU 50 4.582 -25.979 14.686 419 HD11 LEU 50 HD11 LEU 50 5.577 -24.744 12.106 420 HD12 LEU 50 HD12 LEU 50 6.378 -26.007 13.025 421 HD13 LEU 50 HD13 LEU 50 6.229 -24.385 13.694 422 HD21 LEU 50 HD21 LEU 50 4.172 -23.509 14.464 423 HD22 LEU 50 HD22 LEU 50 2.700 -24.472 14.521 424 HD23 LEU 50 HD23 LEU 50 3.276 -23.840 12.980 425 H MET 51 HN MET 51 1.755 -28.865 13.344 426 HA MET 51 HA MET 51 1.404 -28.656 16.135 427 HB2 MET 51 HB2 MET 51 0.046 -30.418 14.084 428 HB3 MET 51 HB1 MET 51 -0.496 -30.241 15.753 429 HG2 MET 51 HG2 MET 51 -0.874 -27.874 15.451 430 HG3 MET 51 HG1 MET 51 -0.145 -27.915 13.846 431 HE1 MET 51 HE1 MET 51 -2.797 -30.528 15.536 432 HE2 MET 51 HE2 MET 51 -4.196 -29.505 15.226 433 HE3 MET 51 HE3 MET 51 -2.858 -28.883 16.186 434 H GLU 52 HN GLU 52 2.612 -31.255 14.066 435 HA GLU 52 HA GLU 52 2.672 -33.298 16.018 436 HB2 GLU 52 HB2 GLU 52 4.340 -32.860 13.534 437 HB3 GLU 52 HB1 GLU 52 4.393 -34.331 14.506 438 HG2 GLU 52 HG2 GLU 52 2.011 -34.711 14.123 439 HG3 GLU 52 HG1 GLU 52 1.889 -33.197 13.230 440 H LEU 53 HN LEU 53 5.213 -31.053 14.912 441 HA LEU 53 HA LEU 53 7.213 -31.963 16.691 442 HB2 LEU 53 HB2 LEU 53 6.785 -29.498 15.040 443 HB3 LEU 53 HB1 LEU 53 8.044 -29.463 16.273 444 HG LEU 53 HG LEU 53 9.049 -31.501 15.296 445 HD11 LEU 53 HD11 LEU 53 8.225 -32.267 13.070 446 HD12 LEU 53 HD12 LEU 53 6.853 -31.176 13.236 447 HD13 LEU 53 HD13 LEU 53 7.047 -32.524 14.355 448 HD21 LEU 53 HD21 LEU 53 9.852 -29.328 14.524 449 HD22 LEU 53 HD22 LEU 53 8.547 -29.234 13.341 450 HD23 LEU 53 HD23 LEU 53 9.816 -30.447 13.162 451 H ILE 54 HN ILE 54 4.744 -29.443 16.975 452 HA ILE 54 HA ILE 54 5.643 -28.375 19.418 453 HB ILE 54 HB ILE 54 2.914 -28.463 18.155 454 HG12 ILE 54 HG12 ILE 54 4.988 -27.125 17.217 455 HG13 ILE 54 HG11 ILE 54 3.417 -26.347 17.323 456 HG21 ILE 54 HG21 ILE 54 2.484 -26.538 19.833 457 HG22 ILE 54 HG22 ILE 54 3.843 -27.203 20.737 458 HG23 ILE 54 HG23 ILE 54 2.407 -28.186 20.454 459 HD11 ILE 54 HD11 ILE 54 4.014 -25.074 19.204 460 HD12 ILE 54 HD12 ILE 54 5.485 -25.058 18.232 461 HD13 ILE 54 HD13 ILE 54 5.356 -26.135 19.617 462 H ASP 55 HN ASP 55 3.348 -30.973 18.687 463 HA ASP 55 HA ASP 55 2.633 -31.464 21.393 464 HB2 ASP 55 HB2 ASP 55 1.221 -32.155 19.505 465 HB3 ASP 55 HB1 ASP 55 2.472 -33.280 18.978 466 H LEU 56 HN LEU 56 4.975 -32.924 19.169 467 HA LEU 56 HA LEU 56 5.834 -34.970 20.897 468 HB2 LEU 56 HB2 LEU 56 7.188 -33.557 18.603 469 HB3 LEU 56 HB1 LEU 56 7.921 -34.920 19.443 470 HG LEU 56 HG LEU 56 5.135 -35.057 18.266 471 HD11 LEU 56 HD11 LEU 56 6.757 -34.490 16.479 472 HD12 LEU 56 HD12 LEU 56 6.120 -36.122 16.288 473 HD13 LEU 56 HD13 LEU 56 7.739 -35.879 16.943 474 HD21 LEU 56 HD21 LEU 56 7.136 -37.068 19.313 475 HD22 LEU 56 HD22 LEU 56 5.888 -37.561 18.174 476 HD23 LEU 56 HD23 LEU 56 5.433 -36.888 19.734 477 H TYR 57 HN TYR 57 7.055 -31.690 20.369 478 HA TYR 57 HA TYR 57 9.246 -31.898 22.158 479 HB2 TYR 57 HB2 TYR 57 7.754 -29.655 20.841 480 HB3 TYR 57 HB1 TYR 57 8.857 -29.265 22.161 481 HD1 TYR 57 HD1 TYR 57 8.944 -31.754 19.338 482 HD2 TYR 57 HD2 TYR 57 10.900 -28.490 21.335 483 HE1 TYR 57 HE1 TYR 57 10.871 -31.960 17.793 484 HE2 TYR 57 HE2 TYR 57 12.823 -28.698 19.788 485 HH TYR 57 HH TYR 57 13.094 -31.374 17.548 486 H GLU 58 HN GLU 58 5.944 -30.668 22.541 487 HA GLU 58 HA GLU 58 6.288 -29.986 25.298 488 HB2 GLU 58 HB2 GLU 58 3.810 -30.362 23.610 489 HB3 GLU 58 HB1 GLU 58 3.792 -29.793 25.279 490 HG2 GLU 58 HG2 GLU 58 5.356 -28.461 23.053 491 HG3 GLU 58 HG1 GLU 58 3.760 -27.937 23.586 492 H GLU 59 HN GLU 59 5.529 -32.870 23.574 493 HA GLU 59 HA GLU 59 4.424 -34.205 25.919 494 HB2 GLU 59 HB2 GLU 59 3.450 -34.781 23.798 495 HB3 GLU 59 HB1 GLU 59 5.027 -35.173 23.125 496 HG2 GLU 59 HG2 GLU 59 4.087 -36.608 25.602 497 HG3 GLU 59 HG1 GLU 59 3.459 -37.099 24.034 498 H SER 60 HN SER 60 7.505 -33.597 24.590 499 HA SER 60 HA SER 60 8.950 -35.904 24.985 500 HB2 SER 60 HB2 SER 60 10.088 -34.037 24.085 501 HB3 SER 60 HB1 SER 60 9.647 -33.012 25.446 502 HG SER 60 HG SER 60 11.744 -34.713 25.149 503 H GLN 61 HN GLN 61 8.698 -33.309 27.435 504 HA GLN 61 HA GLN 61 9.091 -35.346 29.548 505 HB2 GLN 61 HB2 GLN 61 9.609 -32.496 30.229 506 HB3 GLN 61 HB1 GLN 61 10.459 -33.951 30.722 507 HG2 GLN 61 HG2 GLN 61 11.284 -34.131 28.318 508 HG3 GLN 61 HG1 GLN 61 10.677 -32.492 28.088 509 HE21 GLN 61 HE21 GLN 61 11.550 -30.831 29.704 510 HE22 GLN 61 HE22 GLN 61 13.142 -31.029 30.256 511 HA PRO 62 HA PRO 62 5.507 -32.744 31.053 512 HB2 PRO 62 HB2 PRO 62 4.753 -30.505 29.692 513 HB3 PRO 62 HB1 PRO 62 6.147 -30.527 30.788 514 HG2 PRO 62 HG2 PRO 62 6.099 -30.355 27.857 515 HG3 PRO 62 HG1 PRO 62 7.397 -29.947 28.980 516 HD2 PRO 62 HD2 PRO 62 7.094 -32.415 27.430 517 HD3 PRO 62 HD1 PRO 62 8.441 -31.912 28.446 518 H SER 63 HN SER 63 4.543 -34.748 30.147 519 HA SER 63 HA SER 63 3.038 -34.675 27.712 520 HB2 SER 63 HB2 SER 63 3.984 -36.725 28.966 521 HB3 SER 63 HB1 SER 63 2.557 -36.584 29.990 522 HG SER 63 HG SER 63 1.314 -36.637 28.028 523 H SER 64 HN SER 64 2.207 -34.418 31.160 524 HA SER 64 HA SER 64 -0.459 -33.367 30.382 525 HB2 SER 64 HB2 SER 64 -1.387 -34.365 32.348 526 HB3 SER 64 HB1 SER 64 -0.459 -35.614 31.523 527 HG SER 64 HG SER 64 0.282 -34.067 33.781 528 H GLU 65 HN GLU 65 2.495 -32.552 31.630 529 HA GLU 65 HA GLU 65 1.806 -30.915 33.839 530 HB2 GLU 65 HB2 GLU 65 4.146 -30.831 31.933 531 HB3 GLU 65 HB1 GLU 65 4.022 -29.821 33.369 532 HG2 GLU 65 HG2 GLU 65 3.889 -31.805 34.790 533 HG3 GLU 65 HG1 GLU 65 3.911 -32.850 33.370 534 H ARG 66 HN ARG 66 3.493 -29.100 31.514 535 HA ARG 66 HA ARG 66 1.503 -27.023 31.544 536 HB2 ARG 66 HB2 ARG 66 4.176 -27.298 30.170 537 HB3 ARG 66 HB1 ARG 66 3.151 -25.869 30.016 538 HG2 ARG 66 HG2 ARG 66 3.179 -25.562 32.451 539 HG3 ARG 66 HG1 ARG 66 4.167 -27.012 32.633 540 HD2 ARG 66 HD2 ARG 66 5.956 -25.975 31.303 541 HD3 ARG 66 HD1 ARG 66 4.966 -24.534 31.084 542 HE ARG 66 HE ARG 66 5.423 -23.920 33.300 543 HH11 ARG 66 HH21 ARG 66 6.523 -27.122 32.585 544 HH12 ARG 66 HH22 ARG 66 7.482 -27.262 34.020 545 HH21 ARG 66 HH11 ARG 66 6.679 -24.096 35.185 546 HH22 ARG 66 HH12 ARG 66 7.571 -25.548 35.493 547 H LEU 67 HN LEU 67 2.115 -29.732 29.576 548 HA LEU 67 HA LEU 67 1.530 -28.987 27.014 549 HB2 LEU 67 HB2 LEU 67 1.979 -31.278 27.606 550 HB3 LEU 67 HB1 LEU 67 0.469 -31.389 28.499 551 HG LEU 67 HG LEU 67 0.137 -30.462 25.690 552 HD11 LEU 67 HD11 LEU 67 0.432 -32.727 24.719 553 HD12 LEU 67 HD12 LEU 67 1.117 -33.278 26.247 554 HD13 LEU 67 HD13 LEU 67 1.953 -32.049 25.300 555 HD21 LEU 67 HD21 LEU 67 -1.134 -32.834 27.082 556 HD22 LEU 67 HD22 LEU 67 -1.790 -31.867 25.760 557 HD23 LEU 67 HD23 LEU 67 -1.665 -31.180 27.379 558 H ASN 68 HN ASN 68 -0.661 -29.139 29.743 559 HA ASN 68 HA ASN 68 -3.101 -28.938 28.328 560 HB2 ASN 68 HB2 ASN 68 -3.002 -29.553 30.696 561 HB3 ASN 68 HB1 ASN 68 -2.389 -27.948 31.097 562 HD21 ASN 68 HD21 ASN 68 -4.108 -26.888 32.119 563 HD22 ASN 68 HD22 ASN 68 -5.692 -26.819 31.512 564 H ALA 69 HN ALA 69 -0.858 -26.502 29.594 565 HA ALA 69 HA ALA 69 -2.473 -24.251 28.873 566 HB1 ALA 69 HB1 ALA 69 -0.389 -22.953 29.270 567 HB2 ALA 69 HB2 ALA 69 0.481 -24.474 29.477 568 HB3 ALA 69 HB3 ALA 69 -0.798 -24.028 30.608 569 H PHE 70 HN PHE 70 0.124 -26.050 27.313 570 HA PHE 70 HA PHE 70 0.587 -24.285 25.153 571 HB2 PHE 70 HB2 PHE 70 1.043 -27.232 25.582 572 HB3 PHE 70 HB1 PHE 70 1.360 -26.501 24.011 573 HD1 PHE 70 HD2 PHE 70 2.944 -24.541 23.865 574 HD2 PHE 70 HD1 PHE 70 2.566 -26.944 27.399 575 HE1 PHE 70 HE2 PHE 70 5.121 -23.682 24.683 576 HE2 PHE 70 HE1 PHE 70 4.742 -26.089 28.219 577 HZ PHE 70 HZ PHE 70 6.021 -24.456 26.860 578 H ARG 71 HN ARG 71 -2.058 -26.324 25.893 579 HA ARG 71 HA ARG 71 -3.021 -27.157 23.447 580 HB2 ARG 71 HB2 ARG 71 -4.529 -26.043 25.819 581 HB3 ARG 71 HB1 ARG 71 -5.313 -26.806 24.435 582 HG2 ARG 71 HG2 ARG 71 -4.080 -28.875 24.830 583 HG3 ARG 71 HG1 ARG 71 -3.193 -28.121 26.152 584 HD2 ARG 71 HD2 ARG 71 -5.019 -29.467 27.061 585 HD3 ARG 71 HD1 ARG 71 -5.343 -27.760 27.354 586 HE ARG 71 HE ARG 71 -6.526 -28.549 24.901 587 HH11 ARG 71 HH21 ARG 71 -6.797 -28.940 28.328 588 HH12 ARG 71 HH22 ARG 71 -8.513 -29.179 28.303 589 HH21 ARG 71 HH11 ARG 71 -8.772 -28.858 24.860 590 HH22 ARG 71 HH12 ARG 71 -9.631 -29.132 26.338 591 H GLU 72 HN GLU 72 -2.841 -23.921 24.751 592 HA GLU 72 HA GLU 72 -4.670 -22.636 23.036 593 HB2 GLU 72 HB2 GLU 72 -2.116 -21.642 24.331 594 HB3 GLU 72 HB1 GLU 72 -3.251 -20.598 23.473 595 HG2 GLU 72 HG2 GLU 72 -5.041 -21.227 25.015 596 HG3 GLU 72 HG1 GLU 72 -3.964 -22.350 25.842 597 H LEU 73 HN LEU 73 -1.191 -23.284 22.727 598 HA LEU 73 HA LEU 73 -0.882 -22.072 20.191 599 HB2 LEU 73 HB2 LEU 73 0.879 -23.031 21.962 600 HB3 LEU 73 HB1 LEU 73 0.785 -24.454 20.934 601 HG LEU 73 HG LEU 73 2.592 -23.050 20.131 602 HD11 LEU 73 HD11 LEU 73 0.892 -24.152 18.500 603 HD12 LEU 73 HD12 LEU 73 2.008 -22.954 17.850 604 HD13 LEU 73 HD13 LEU 73 0.349 -22.497 18.210 605 HD21 LEU 73 HD21 LEU 73 0.887 -20.739 19.348 606 HD22 LEU 73 HD22 LEU 73 2.520 -20.765 20.007 607 HD23 LEU 73 HD23 LEU 73 1.140 -20.907 21.084 608 H ARG 74 HN ARG 74 -1.666 -25.364 21.195 609 HA ARG 74 HA ARG 74 -1.661 -26.530 18.630 610 HB2 ARG 74 HB2 ARG 74 -1.620 -27.876 20.669 611 HB3 ARG 74 HB1 ARG 74 -3.231 -27.300 21.099 612 HG2 ARG 74 HG2 ARG 74 -4.202 -28.349 19.156 613 HG3 ARG 74 HG1 ARG 74 -2.608 -28.774 18.527 614 HD2 ARG 74 HD2 ARG 74 -3.606 -30.731 19.578 615 HD3 ARG 74 HD1 ARG 74 -2.235 -30.190 20.544 616 HE ARG 74 HE ARG 74 -4.628 -28.980 21.486 617 HH11 ARG 74 HH21 ARG 74 -2.924 -31.985 21.332 618 HH12 ARG 74 HH22 ARG 74 -3.614 -32.611 22.792 619 HH21 ARG 74 HH11 ARG 74 -5.537 -29.791 23.405 620 HH22 ARG 74 HH12 ARG 74 -5.094 -31.369 23.966 621 H THR 75 HN THR 75 -4.167 -24.940 20.536 622 HA THR 75 HA THR 75 -6.339 -25.455 18.843 623 HB THR 75 HB THR 75 -5.827 -23.122 20.631 624 HG1 THR 75 HG1 THR 75 -7.673 -24.971 21.353 625 HG21 THR 75 HG21 THR 75 -7.541 -22.483 19.104 626 HG22 THR 75 HG22 THR 75 -8.359 -22.989 20.581 627 HG23 THR 75 HG23 THR 75 -8.290 -24.076 19.194 628 H GLN 76 HN GLN 76 -4.057 -22.736 18.934 629 HA GLN 76 HA GLN 76 -5.189 -21.175 16.913 630 HB2 GLN 76 HB2 GLN 76 -2.306 -21.570 17.752 631 HB3 GLN 76 HB1 GLN 76 -2.811 -20.352 16.579 632 HG2 GLN 76 HG2 GLN 76 -4.273 -19.310 18.223 633 HG3 GLN 76 HG1 GLN 76 -3.917 -20.577 19.391 634 HE21 GLN 76 HE21 GLN 76 -3.259 -18.382 20.584 635 HE22 GLN 76 HE22 GLN 76 -1.627 -17.944 20.425 636 H LEU 77 HN LEU 77 -2.657 -23.672 16.659 637 HA LEU 77 HA LEU 77 -2.493 -23.565 13.839 638 HB2 LEU 77 HB2 LEU 77 -1.615 -25.532 15.930 639 HB3 LEU 77 HB1 LEU 77 -1.479 -25.951 14.226 640 HG LEU 77 HG LEU 77 0.569 -24.878 15.360 641 HD11 LEU 77 HD11 LEU 77 0.616 -25.098 13.014 642 HD12 LEU 77 HD12 LEU 77 0.960 -23.391 13.297 643 HD13 LEU 77 HD13 LEU 77 -0.642 -23.896 12.791 644 HD21 LEU 77 HD21 LEU 77 -0.897 -22.287 14.830 645 HD22 LEU 77 HD22 LEU 77 0.615 -22.533 15.695 646 HD23 LEU 77 HD23 LEU 77 -0.901 -23.050 16.415 647 H GLU 78 HN GLU 78 -4.306 -25.600 16.054 648 HA GLU 78 HA GLU 78 -5.400 -27.313 14.098 649 HB2 GLU 78 HB2 GLU 78 -5.414 -27.786 16.530 650 HB3 GLU 78 HB1 GLU 78 -6.578 -26.479 16.755 651 HG2 GLU 78 HG2 GLU 78 -8.182 -27.615 15.294 652 HG3 GLU 78 HG1 GLU 78 -7.017 -28.905 14.995 653 H LYS 79 HN LYS 79 -6.329 -24.152 15.333 654 HA LYS 79 HA LYS 79 -8.917 -24.053 14.184 655 HB2 LYS 79 HB2 LYS 79 -8.095 -22.533 15.978 656 HB3 LYS 79 HB1 LYS 79 -7.048 -21.751 14.794 657 HG2 LYS 79 HG2 LYS 79 -9.033 -21.184 13.424 658 HG3 LYS 79 HG1 LYS 79 -10.071 -21.936 14.630 659 HD2 LYS 79 HD2 LYS 79 -8.157 -19.704 15.329 660 HD3 LYS 79 HD1 LYS 79 -9.797 -19.383 14.772 661 HE2 LYS 79 HE2 LYS 79 -10.584 -20.945 16.653 662 HE3 LYS 79 HE1 LYS 79 -8.940 -20.844 17.280 663 HZ1 LYS 79 HZ1 LYS 79 -10.798 -19.153 17.997 664 HZ2 LYS 79 HZ2 LYS 79 -10.284 -18.347 16.593 665 HZ3 LYS 79 HZ3 LYS 79 -9.177 -18.679 17.837 666 H ALA 80 HN ALA 80 -5.726 -22.983 13.092 667 HA ALA 80 HA ALA 80 -6.587 -21.815 10.675 668 HB1 ALA 80 HB1 ALA 80 -3.902 -23.133 11.126 669 HB2 ALA 80 HB2 ALA 80 -4.306 -21.527 11.734 670 HB3 ALA 80 HB3 ALA 80 -4.287 -21.833 9.996 671 H LEU 81 HN LEU 81 -6.115 -25.085 11.665 672 HA LEU 81 HA LEU 81 -5.717 -26.287 9.145 673 HB2 LEU 81 HB2 LEU 81 -5.691 -27.244 11.655 674 HB3 LEU 81 HB1 LEU 81 -7.323 -27.733 11.220 675 HG LEU 81 HG LEU 81 -5.809 -29.545 10.668 676 HD11 LEU 81 HD11 LEU 81 -6.497 -29.934 8.446 677 HD12 LEU 81 HD12 LEU 81 -6.374 -28.231 8.011 678 HD13 LEU 81 HD13 LEU 81 -7.694 -28.789 9.041 679 HD21 LEU 81 HD21 LEU 81 -4.277 -28.081 8.580 680 HD22 LEU 81 HD22 LEU 81 -3.723 -29.277 9.751 681 HD23 LEU 81 HD23 LEU 81 -3.898 -27.594 10.231 682 H GLY 82 HN GLY 82 -8.651 -25.457 10.933 683 HA2 GLY 82 HA2 GLY 82 -10.490 -26.639 9.138 684 HA3 GLY 82 HA1 GLY 82 -10.856 -25.352 10.286 685 H LEU 83 HN LEU 83 -8.542 -23.834 8.945 686 HA LEU 83 HA LEU 83 -8.423 -22.084 7.455 687 HB2 LEU 83 HB2 LEU 83 -9.632 -24.238 5.711 688 HB3 LEU 83 HB1 LEU 83 -8.968 -22.726 5.097 689 HG LEU 83 HG LEU 83 -7.379 -24.635 6.833 690 HD11 LEU 83 HD11 LEU 83 -7.726 -24.554 3.833 691 HD12 LEU 83 HD12 LEU 83 -7.850 -25.940 4.917 692 HD13 LEU 83 HD13 LEU 83 -6.275 -25.227 4.576 693 HD21 LEU 83 HD21 LEU 83 -5.485 -23.388 5.513 694 HD22 LEU 83 HD22 LEU 83 -6.269 -22.548 6.845 695 HD23 LEU 83 HD23 LEU 83 -6.729 -22.186 5.183 696 H GLU 84 HN GLU 84 -10.928 -22.457 9.057 697 HA GLU 84 HA GLU 84 -13.066 -21.498 7.364 698 HB2 GLU 84 HB2 GLU 84 -13.499 -22.900 9.362 699 HB3 GLU 84 HB1 GLU 84 -12.882 -21.601 10.384 700 HG2 GLU 84 HG2 GLU 84 -14.631 -20.093 9.589 701 HG3 GLU 84 HG1 GLU 84 -15.217 -21.323 8.470 702 H HIS 85 HN HIS 85 -12.974 -19.494 6.576 703 HA HIS 85 HA HIS 85 -12.741 -17.247 8.386 704 HB2 HIS 85 HB2 HIS 85 -10.666 -17.730 6.239 705 HB3 HIS 85 HB1 HIS 85 -10.901 -16.184 7.055 706 HD2 HIS 85 HD2 HIS 85 -9.956 -16.091 9.723 707 HE1 HIS 85 HE1 HIS 85 -8.416 -20.021 9.808 708 HE2 HIS 85 HE2 HIS 85 -8.526 -17.817 11.064 709 H HIS 86 HN HIS 86 -14.414 -18.636 6.153 710 HA HIS 86 HA HIS 86 -14.670 -16.569 4.148 711 HB2 HIS 86 HB2 HIS 86 -16.659 -17.965 3.436 712 HB3 HIS 86 HB1 HIS 86 -15.111 -18.811 3.433 713 HD2 HIS 86 HD2 HIS 86 -15.010 -21.029 5.121 714 HE1 HIS 86 HE1 HIS 86 -18.692 -20.389 7.083 715 HE2 HIS 86 HE2 HIS 86 -16.750 -22.001 6.807 716 H HIS 87 HN HIS 87 -16.584 -15.305 3.796 717 HA HIS 87 HA HIS 87 -17.642 -14.186 6.219 718 HB2 HIS 87 HB2 HIS 87 -18.276 -13.695 3.301 719 HB3 HIS 87 HB1 HIS 87 -19.012 -12.794 4.627 720 HD2 HIS 87 HD2 HIS 87 -17.329 -10.882 5.839 721 HE1 HIS 87 HE1 HIS 87 -13.951 -11.610 3.414 722 HE2 HIS 87 HE2 HIS 87 -14.936 -10.071 5.178 723 H HIS 88 HN HIS 88 -19.754 -14.244 6.988 724 HA HIS 88 HA HIS 88 -21.136 -16.672 6.796 725 HB2 HIS 88 HB2 HIS 88 -22.003 -13.930 7.722 726 HB3 HIS 88 HB1 HIS 88 -23.048 -15.346 7.833 727 HD2 HIS 88 HD2 HIS 88 -22.395 -17.132 9.905 728 HE1 HIS 88 HE1 HIS 88 -18.973 -15.080 11.281 729 HE2 HIS 88 HE2 HIS 88 -20.569 -16.994 11.766 730 H HIS 89 HN HIS 89 -21.739 -13.543 5.193 731 HA HIS 89 HA HIS 89 -23.042 -14.925 2.990 732 HB2 HIS 89 HB2 HIS 89 -24.854 -14.562 4.685 733 HB3 HIS 89 HB1 HIS 89 -24.573 -12.827 4.540 734 HD2 HIS 89 HD2 HIS 89 -25.976 -11.661 2.456 735 HE1 HIS 89 HE1 HIS 89 -26.919 -15.190 0.339 736 HE2 HIS 89 HE2 HIS 89 -27.264 -12.676 0.424 737 H HIS 90 HN HIS 90 -21.120 -12.470 4.169 738 HA HIS 90 HA HIS 90 -20.327 -10.467 3.305 739 HB2 HIS 90 HB2 HIS 90 -19.245 -12.085 1.819 740 HB3 HIS 90 HB1 HIS 90 -20.659 -12.083 0.765 741 HD2 HIS 90 HD2 HIS 90 -20.533 -10.147 -1.213 742 HE1 HIS 90 HE1 HIS 90 -17.559 -7.710 0.533 743 HE2 HIS 90 HE2 HIS 90 -19.018 -8.042 -1.519 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -6.974 -12.266 13.603 2 H2 MET 1 HT2 MET 1 -5.668 -11.471 14.343 3 H3 MET 1 HT3 MET 1 -5.684 -13.167 14.239 4 HA MET 1 HA MET 1 -5.863 -12.661 11.681 5 HB2 MET 1 HB2 MET 1 -4.482 -10.255 12.903 6 HB3 MET 1 HB1 MET 1 -4.388 -10.685 11.194 7 HG2 MET 1 HG2 MET 1 -6.151 -9.081 11.367 8 HG3 MET 1 HG1 MET 1 -6.943 -10.646 11.184 9 HE1 MET 1 HE1 MET 1 -8.709 -7.974 13.770 10 HE2 MET 1 HE2 MET 1 -8.567 -8.372 12.060 11 HE3 MET 1 HE3 MET 1 -7.285 -7.461 12.853 12 H GLY 2 HN GLY 2 -4.619 -14.394 11.325 13 HA2 GLY 2 HA2 GLY 2 -2.716 -15.679 11.112 14 HA3 GLY 2 HA1 GLY 2 -1.784 -14.266 11.600 15 H VAL 3 HN VAL 3 -0.422 -15.503 12.939 16 HA VAL 3 HA VAL 3 -1.670 -16.435 15.467 17 HB VAL 3 HB VAL 3 -0.860 -18.352 14.172 18 HG11 VAL 3 HG11 VAL 3 1.414 -18.552 13.455 19 HG12 VAL 3 HG12 VAL 3 1.894 -17.108 14.348 20 HG13 VAL 3 HG13 VAL 3 0.872 -16.961 12.917 21 HG21 VAL 3 HG21 VAL 3 1.065 -17.730 16.430 22 HG22 VAL 3 HG22 VAL 3 0.532 -19.321 15.891 23 HG23 VAL 3 HG23 VAL 3 -0.606 -18.233 16.684 24 H TRP 4 HN TRP 4 -0.890 -15.573 17.267 25 HA TRP 4 HA TRP 4 1.654 -14.056 17.158 26 HB2 TRP 4 HB2 TRP 4 -0.969 -13.309 18.465 27 HB3 TRP 4 HB1 TRP 4 0.559 -12.503 18.825 28 HD1 TRP 4 HD1 TRP 4 -1.915 -13.087 15.953 29 HE1 TRP 4 HE1 TRP 4 -1.527 -11.282 14.153 30 HE3 TRP 4 HE3 TRP 4 2.243 -10.820 17.860 31 HZ2 TRP 4 HZ2 TRP 4 0.306 -9.156 13.597 32 HZ3 TRP 4 HZ3 TRP 4 3.288 -8.909 16.678 33 HH2 TRP 4 HH2 TRP 4 2.325 -8.076 14.551 34 H THR 5 HN THR 5 3.093 -14.933 18.430 35 HA THR 5 HA THR 5 2.583 -15.487 21.176 36 HB THR 5 HB THR 5 3.368 -17.923 19.587 37 HG1 THR 5 HG1 THR 5 1.350 -17.421 18.852 38 HG21 THR 5 HG21 THR 5 1.988 -17.713 22.261 39 HG22 THR 5 HG22 THR 5 3.744 -17.650 22.114 40 HG23 THR 5 HG23 THR 5 2.866 -19.089 21.594 41 HA PRO 6 HA PRO 6 7.014 -14.853 19.518 42 HB2 PRO 6 HB2 PRO 6 7.304 -12.188 20.099 43 HB3 PRO 6 HB1 PRO 6 6.662 -12.766 18.547 44 HG2 PRO 6 HG2 PRO 6 5.177 -11.807 20.954 45 HG3 PRO 6 HG1 PRO 6 4.924 -11.391 19.254 46 HD2 PRO 6 HD2 PRO 6 3.373 -13.223 20.505 47 HD3 PRO 6 HD1 PRO 6 3.831 -13.388 18.791 48 H GLU 7 HN GLU 7 8.833 -13.744 20.936 49 HA GLU 7 HA GLU 7 9.045 -15.038 23.371 50 HB2 GLU 7 HB2 GLU 7 10.309 -12.438 22.461 51 HB3 GLU 7 HB1 GLU 7 10.786 -13.307 23.922 52 HG2 GLU 7 HG2 GLU 7 11.352 -15.284 22.602 53 HG3 GLU 7 HG1 GLU 7 10.799 -14.488 21.131 54 H VAL 8 HN VAL 8 7.078 -12.338 22.589 55 HA VAL 8 HA VAL 8 7.024 -10.890 24.986 56 HB VAL 8 HB VAL 8 4.690 -11.513 23.157 57 HG11 VAL 8 HG11 VAL 8 3.835 -9.333 23.961 58 HG12 VAL 8 HG12 VAL 8 5.189 -9.236 25.087 59 HG13 VAL 8 HG13 VAL 8 3.984 -10.512 25.262 60 HG21 VAL 8 HG21 VAL 8 5.333 -9.617 21.849 61 HG22 VAL 8 HG22 VAL 8 6.804 -10.562 22.072 62 HG23 VAL 8 HG23 VAL 8 6.534 -9.115 23.042 63 H LEU 9 HN LEU 9 5.089 -13.704 23.965 64 HA LEU 9 HA LEU 9 3.703 -13.934 26.447 65 HB2 LEU 9 HB2 LEU 9 2.760 -14.931 24.437 66 HB3 LEU 9 HB1 LEU 9 4.169 -15.976 24.256 67 HG LEU 9 HG LEU 9 3.639 -17.111 26.369 68 HD11 LEU 9 HD11 LEU 9 1.540 -14.954 26.543 69 HD12 LEU 9 HD12 LEU 9 2.650 -15.530 27.786 70 HD13 LEU 9 HD13 LEU 9 1.260 -16.511 27.327 71 HD21 LEU 9 HD21 LEU 9 2.617 -18.114 24.470 72 HD22 LEU 9 HD22 LEU 9 1.385 -16.855 24.369 73 HD23 LEU 9 HD23 LEU 9 1.346 -18.024 25.690 74 H LYS 10 HN LYS 10 6.702 -15.191 25.150 75 HA LYS 10 HA LYS 10 7.205 -17.205 27.040 76 HB2 LYS 10 HB2 LYS 10 8.496 -16.847 24.931 77 HB3 LYS 10 HB1 LYS 10 9.230 -15.427 25.667 78 HG2 LYS 10 HG2 LYS 10 10.732 -17.310 25.907 79 HG3 LYS 10 HG1 LYS 10 10.112 -16.862 27.495 80 HD2 LYS 10 HD2 LYS 10 8.846 -18.791 27.710 81 HD3 LYS 10 HD1 LYS 10 8.550 -18.925 25.976 82 HE2 LYS 10 HE2 LYS 10 10.841 -19.662 25.619 83 HE3 LYS 10 HE1 LYS 10 11.189 -19.485 27.340 84 HZ1 LYS 10 HZ1 LYS 10 9.473 -21.131 27.816 85 HZ2 LYS 10 HZ2 LYS 10 10.666 -21.780 26.793 86 HZ3 LYS 10 HZ3 LYS 10 9.162 -21.310 26.158 87 H ALA 11 HN ALA 11 8.094 -13.763 27.021 88 HA ALA 11 HA ALA 11 9.459 -13.809 29.509 89 HB1 ALA 11 HB1 ALA 11 9.410 -11.414 29.388 90 HB2 ALA 11 HB2 ALA 11 8.044 -11.441 28.273 91 HB3 ALA 11 HB3 ALA 11 9.627 -12.009 27.741 92 H ARG 12 HN ARG 12 6.117 -13.106 28.578 93 HA ARG 12 HA ARG 12 5.232 -12.335 31.165 94 HB2 ARG 12 HB2 ARG 12 3.782 -13.384 28.730 95 HB3 ARG 12 HB1 ARG 12 2.949 -12.862 30.191 96 HG2 ARG 12 HG2 ARG 12 4.954 -11.011 28.908 97 HG3 ARG 12 HG1 ARG 12 3.344 -11.151 28.209 98 HD2 ARG 12 HD2 ARG 12 3.868 -10.500 31.124 99 HD3 ARG 12 HD1 ARG 12 3.547 -9.296 29.881 100 HE ARG 12 HE ARG 12 1.493 -11.220 29.807 101 HH11 ARG 12 HH21 ARG 12 2.810 -8.753 31.835 102 HH12 ARG 12 HH22 ARG 12 1.298 -8.371 32.590 103 HH21 ARG 12 HH11 ARG 12 -0.493 -10.735 30.793 104 HH22 ARG 12 HH12 ARG 12 -0.574 -9.495 32.000 105 H ALA 13 HN ALA 13 5.159 -15.404 29.399 106 HA ALA 13 HA ALA 13 3.839 -16.863 31.464 107 HB1 ALA 13 HB1 ALA 13 3.994 -17.504 29.006 108 HB2 ALA 13 HB2 ALA 13 4.304 -18.803 30.160 109 HB3 ALA 13 HB3 ALA 13 5.650 -18.012 29.338 110 H SER 14 HN SER 14 7.219 -16.477 30.479 111 HA SER 14 HA SER 14 8.200 -18.128 32.646 112 HB2 SER 14 HB2 SER 14 9.335 -17.926 30.405 113 HB3 SER 14 HB1 SER 14 9.775 -16.279 30.847 114 HG SER 14 HG SER 14 11.195 -17.029 32.234 115 H VAL 15 HN VAL 15 7.134 -14.956 32.330 116 HA VAL 15 HA VAL 15 7.120 -13.168 33.763 117 HB VAL 15 HB VAL 15 8.599 -14.893 35.752 118 HG11 VAL 15 HG11 VAL 15 8.338 -12.489 36.270 119 HG12 VAL 15 HG12 VAL 15 7.402 -13.499 37.371 120 HG13 VAL 15 HG13 VAL 15 6.594 -12.642 36.059 121 HG21 VAL 15 HG21 VAL 15 6.217 -15.434 36.540 122 HG22 VAL 15 HG22 VAL 15 6.756 -16.250 35.072 123 HG23 VAL 15 HG23 VAL 15 5.679 -14.859 34.962 124 H ILE 16 HN ILE 16 10.162 -14.934 33.497 125 HA ILE 16 HA ILE 16 11.587 -12.381 33.192 126 HB ILE 16 HB ILE 16 11.830 -13.163 35.552 127 HG12 ILE 16 HG12 ILE 16 14.398 -13.442 33.973 128 HG13 ILE 16 HG11 ILE 16 13.607 -11.892 34.261 129 HG21 ILE 16 HG21 ILE 16 11.696 -15.619 34.909 130 HG22 ILE 16 HG22 ILE 16 12.981 -15.210 36.046 131 HG23 ILE 16 HG23 ILE 16 13.361 -15.479 34.345 132 HD11 ILE 16 HD11 ILE 16 14.604 -13.813 36.381 133 HD12 ILE 16 HD12 ILE 16 13.721 -12.321 36.709 134 HD13 ILE 16 HD13 ILE 16 15.317 -12.255 35.964 135 H GLY 17 HN GLY 17 13.425 -12.500 31.896 136 HA2 GLY 17 HA2 GLY 17 13.394 -14.155 29.698 137 HA3 GLY 17 HA1 GLY 17 14.845 -13.345 30.286 138 H LYS 18 HN LYS 18 13.881 -16.216 29.316 139 HA LYS 18 HA LYS 18 15.975 -17.652 30.591 140 HB2 LYS 18 HB2 LYS 18 14.223 -17.543 32.428 141 HB3 LYS 18 HB1 LYS 18 13.212 -18.563 31.401 142 HG2 LYS 18 HG2 LYS 18 15.174 -20.177 31.274 143 HG3 LYS 18 HG1 LYS 18 15.936 -19.220 32.545 144 HD2 LYS 18 HD2 LYS 18 14.068 -19.636 34.045 145 HD3 LYS 18 HD1 LYS 18 13.191 -20.480 32.768 146 HE2 LYS 18 HE2 LYS 18 14.370 -22.009 34.392 147 HE3 LYS 18 HE1 LYS 18 14.838 -22.245 32.708 148 HZ1 LYS 18 HZ1 LYS 18 16.352 -20.355 34.370 149 HZ2 LYS 18 HZ2 LYS 18 16.867 -21.269 33.034 150 HZ3 LYS 18 HZ3 LYS 18 16.642 -22.017 34.542 151 HA PRO 19 HA PRO 19 13.988 -19.207 26.594 152 HB2 PRO 19 HB2 PRO 19 16.216 -18.856 25.009 153 HB3 PRO 19 HB1 PRO 19 14.952 -17.627 25.217 154 HG2 PRO 19 HG2 PRO 19 17.602 -17.866 26.564 155 HG3 PRO 19 HG1 PRO 19 16.791 -16.424 25.929 156 HD2 PRO 19 HD2 PRO 19 16.808 -17.006 28.575 157 HD3 PRO 19 HD1 PRO 19 15.419 -16.208 27.805 158 H ILE 20 HN ILE 20 14.193 -21.293 25.905 159 HA ILE 20 HA ILE 20 16.115 -22.974 27.317 160 HB ILE 20 HB ILE 20 13.972 -23.845 25.364 161 HG12 ILE 20 HG12 ILE 20 13.737 -23.647 28.389 162 HG13 ILE 20 HG11 ILE 20 13.096 -22.420 27.291 163 HG21 ILE 20 HG21 ILE 20 15.449 -25.667 25.809 164 HG22 ILE 20 HG22 ILE 20 14.129 -25.909 26.940 165 HG23 ILE 20 HG23 ILE 20 15.640 -25.207 27.499 166 HD11 ILE 20 HD11 ILE 20 11.842 -24.351 26.132 167 HD12 ILE 20 HD12 ILE 20 11.252 -23.849 27.714 168 HD13 ILE 20 HD13 ILE 20 12.232 -25.306 27.563 169 H GLY 21 HN GLY 21 17.096 -24.813 25.986 170 HA2 GLY 21 HA2 GLY 21 19.040 -23.944 24.283 171 HA3 GLY 21 HA1 GLY 21 18.375 -25.574 24.221 172 H GLU 22 HN GLU 22 19.335 -23.935 22.022 173 HA GLU 22 HA GLU 22 17.346 -22.709 20.520 174 HB2 GLU 22 HB2 GLU 22 18.750 -23.245 18.553 175 HB3 GLU 22 HB1 GLU 22 19.686 -22.583 19.893 176 HG2 GLU 22 HG2 GLU 22 20.328 -24.868 20.572 177 HG3 GLU 22 HG1 GLU 22 19.403 -25.526 19.223 178 H SER 23 HN SER 23 18.071 -26.114 20.935 179 HA SER 23 HA SER 23 16.605 -27.163 18.788 180 HB2 SER 23 HB2 SER 23 16.512 -29.228 20.111 181 HB3 SER 23 HB1 SER 23 18.120 -28.512 20.159 182 HG SER 23 HG SER 23 16.584 -27.496 22.119 183 H TYR 24 HN TYR 24 15.601 -26.265 22.066 184 HA TYR 24 HA TYR 24 12.845 -27.069 21.567 185 HB2 TYR 24 HB2 TYR 24 14.141 -25.666 23.908 186 HB3 TYR 24 HB1 TYR 24 12.450 -26.159 23.848 187 HD1 TYR 24 HD2 TYR 24 15.944 -27.344 23.989 188 HD2 TYR 24 HD1 TYR 24 11.808 -28.502 23.958 189 HE1 TYR 24 HE2 TYR 24 16.579 -29.634 24.697 190 HE2 TYR 24 HE1 TYR 24 12.444 -30.792 24.666 191 HH TYR 24 HH TYR 24 15.149 -31.603 26.049 192 H LYS 25 HN LYS 25 14.666 -24.049 22.029 193 HA LYS 25 HA LYS 25 12.448 -22.307 21.777 194 HB2 LYS 25 HB2 LYS 25 14.707 -21.680 22.693 195 HB3 LYS 25 HB1 LYS 25 15.328 -21.726 21.046 196 HG2 LYS 25 HG2 LYS 25 13.841 -19.962 20.355 197 HG3 LYS 25 HG1 LYS 25 13.001 -19.990 21.904 198 HD2 LYS 25 HD2 LYS 25 15.095 -19.303 23.028 199 HD3 LYS 25 HD1 LYS 25 15.908 -19.249 21.464 200 HE2 LYS 25 HE2 LYS 25 14.333 -17.523 20.691 201 HE3 LYS 25 HE1 LYS 25 13.493 -17.586 22.242 202 HZ1 LYS 25 HZ1 LYS 25 16.365 -16.913 21.922 203 HZ2 LYS 25 HZ2 LYS 25 15.453 -16.835 23.353 204 HZ3 LYS 25 HZ3 LYS 25 15.128 -15.763 22.075 205 H ARG 26 HN ARG 26 13.737 -24.413 19.558 206 HA ARG 26 HA ARG 26 13.814 -22.934 17.185 207 HB2 ARG 26 HB2 ARG 26 14.656 -25.194 17.294 208 HB3 ARG 26 HB1 ARG 26 13.054 -25.814 17.681 209 HG2 ARG 26 HG2 ARG 26 13.651 -26.142 15.276 210 HG3 ARG 26 HG1 ARG 26 12.218 -25.135 15.473 211 HD2 ARG 26 HD2 ARG 26 14.094 -24.358 13.827 212 HD3 ARG 26 HD1 ARG 26 13.369 -23.172 14.909 213 HE ARG 26 HE ARG 26 15.389 -23.057 16.076 214 HH11 ARG 26 HH21 ARG 26 15.318 -25.730 13.888 215 HH12 ARG 26 HH22 ARG 26 17.002 -26.097 14.059 216 HH21 ARG 26 HH11 ARG 26 17.602 -23.534 16.317 217 HH22 ARG 26 HH12 ARG 26 18.296 -24.853 15.434 218 H ILE 27 HN ILE 27 11.131 -24.586 18.809 219 HA ILE 27 HA ILE 27 9.246 -24.002 16.779 220 HB ILE 27 HB ILE 27 7.587 -24.811 18.308 221 HG12 ILE 27 HG12 ILE 27 9.670 -24.179 20.422 222 HG13 ILE 27 HG11 ILE 27 8.039 -23.522 20.285 223 HG21 ILE 27 HG21 ILE 27 9.416 -26.395 17.444 224 HG22 ILE 27 HG22 ILE 27 8.489 -26.951 18.838 225 HG23 ILE 27 HG23 ILE 27 10.112 -26.295 19.061 226 HD11 ILE 27 HD11 ILE 27 7.260 -25.989 20.550 227 HD12 ILE 27 HD12 ILE 27 7.828 -25.133 21.984 228 HD13 ILE 27 HD13 ILE 27 8.891 -26.271 21.160 229 H LEU 28 HN LEU 28 10.093 -22.474 19.841 230 HA LEU 28 HA LEU 28 8.117 -20.464 19.784 231 HB2 LEU 28 HB2 LEU 28 9.335 -21.013 21.832 232 HB3 LEU 28 HB1 LEU 28 10.847 -20.475 21.103 233 HG LEU 28 HG LEU 28 9.981 -18.183 20.926 234 HD11 LEU 28 HD11 LEU 28 7.672 -18.327 20.575 235 HD12 LEU 28 HD12 LEU 28 7.737 -17.799 22.254 236 HD13 LEU 28 HD13 LEU 28 7.441 -19.497 21.876 237 HD21 LEU 28 HD21 LEU 28 11.048 -19.051 23.061 238 HD22 LEU 28 HD22 LEU 28 9.418 -19.226 23.714 239 HD23 LEU 28 HD23 LEU 28 10.020 -17.632 23.260 240 H ALA 29 HN ALA 29 11.467 -20.528 18.645 241 HA ALA 29 HA ALA 29 11.519 -17.821 17.769 242 HB1 ALA 29 HB1 ALA 29 13.221 -20.208 17.020 243 HB2 ALA 29 HB2 ALA 29 13.598 -18.965 18.213 244 HB3 ALA 29 HB3 ALA 29 13.550 -18.555 16.499 245 H LYS 30 HN LYS 30 10.211 -20.708 16.487 246 HA LYS 30 HA LYS 30 10.303 -20.131 13.727 247 HB2 LYS 30 HB2 LYS 30 9.656 -22.341 14.872 248 HB3 LYS 30 HB1 LYS 30 8.051 -21.634 15.054 249 HG2 LYS 30 HG2 LYS 30 7.799 -22.684 12.989 250 HG3 LYS 30 HG1 LYS 30 8.345 -21.095 12.462 251 HD2 LYS 30 HD2 LYS 30 10.689 -21.969 12.394 252 HD3 LYS 30 HD1 LYS 30 10.068 -23.565 12.814 253 HE2 LYS 30 HE2 LYS 30 8.605 -23.467 10.795 254 HE3 LYS 30 HE1 LYS 30 9.385 -21.952 10.347 255 HZ1 LYS 30 HZ1 LYS 30 10.499 -24.668 10.395 256 HZ2 LYS 30 HZ2 LYS 30 11.536 -23.352 10.677 257 HZ3 LYS 30 HZ3 LYS 30 10.667 -23.456 9.221 258 H LEU 31 HN LEU 31 8.319 -18.954 16.300 259 HA LEU 31 HA LEU 31 6.084 -18.058 14.854 260 HB2 LEU 31 HB2 LEU 31 7.398 -17.226 17.425 261 HB3 LEU 31 HB1 LEU 31 6.047 -16.289 16.790 262 HG LEU 31 HG LEU 31 5.373 -18.093 18.405 263 HD11 LEU 31 HD11 LEU 31 4.159 -18.982 15.820 264 HD12 LEU 31 HD12 LEU 31 4.025 -17.266 16.196 265 HD13 LEU 31 HD13 LEU 31 3.381 -18.463 17.314 266 HD21 LEU 31 HD21 LEU 31 7.188 -19.673 17.546 267 HD22 LEU 31 HD22 LEU 31 6.121 -20.014 16.186 268 HD23 LEU 31 HD23 LEU 31 5.612 -20.404 17.829 269 H GLN 32 HN GLN 32 9.227 -16.567 15.488 270 HA GLN 32 HA GLN 32 8.676 -14.017 14.467 271 HB2 GLN 32 HB2 GLN 32 10.722 -14.563 15.718 272 HB3 GLN 32 HB1 GLN 32 11.269 -15.577 14.382 273 HG2 GLN 32 HG2 GLN 32 11.377 -13.667 12.897 274 HG3 GLN 32 HG1 GLN 32 10.646 -12.624 14.116 275 HE21 GLN 32 HE21 GLN 32 12.956 -11.577 13.390 276 HE22 GLN 32 HE22 GLN 32 14.230 -11.950 14.448 277 H ARG 33 HN ARG 33 9.934 -16.929 12.848 278 HA ARG 33 HA ARG 33 10.135 -15.730 10.285 279 HB2 ARG 33 HB2 ARG 33 11.047 -18.053 11.302 280 HB3 ARG 33 HB1 ARG 33 9.616 -18.671 10.483 281 HG2 ARG 33 HG2 ARG 33 11.824 -17.017 9.221 282 HG3 ARG 33 HG1 ARG 33 11.560 -18.742 8.977 283 HD2 ARG 33 HD2 ARG 33 10.477 -17.886 7.104 284 HD3 ARG 33 HD1 ARG 33 9.133 -17.926 8.242 285 HE ARG 33 HE ARG 33 9.164 -15.591 8.288 286 HH11 ARG 33 HH21 ARG 33 12.000 -16.879 6.795 287 HH12 ARG 33 HH22 ARG 33 12.542 -15.353 6.181 288 HH21 ARG 33 HH11 ARG 33 9.866 -13.578 7.486 289 HH22 ARG 33 HH12 ARG 33 11.333 -13.483 6.571 290 H ILE 34 HN ILE 34 7.626 -17.672 11.851 291 HA ILE 34 HA ILE 34 5.861 -17.826 9.652 292 HB ILE 34 HB ILE 34 5.352 -17.940 12.633 293 HG12 ILE 34 HG12 ILE 34 5.322 -20.156 10.576 294 HG13 ILE 34 HG11 ILE 34 6.789 -19.700 11.441 295 HG21 ILE 34 HG21 ILE 34 3.200 -19.092 11.845 296 HG22 ILE 34 HG22 ILE 34 3.528 -18.394 10.260 297 HG23 ILE 34 HG23 ILE 34 3.255 -17.342 11.649 298 HD11 ILE 34 HD11 ILE 34 4.187 -20.610 12.697 299 HD12 ILE 34 HD12 ILE 34 5.615 -20.090 13.592 300 HD13 ILE 34 HD13 ILE 34 5.679 -21.545 12.599 301 H HIS 35 HN HIS 35 6.150 -15.508 12.326 302 HA HIS 35 HA HIS 35 3.934 -13.956 12.060 303 HB2 HIS 35 HB2 HIS 35 5.662 -13.464 13.705 304 HB3 HIS 35 HB1 HIS 35 6.784 -12.996 12.425 305 HD2 HIS 35 HD2 HIS 35 3.498 -11.594 14.117 306 HE1 HIS 35 HE1 HIS 35 5.225 -8.530 11.781 307 HE2 HIS 35 HE2 HIS 35 3.384 -9.074 13.444 308 H ASN 36 HN ASN 36 6.936 -13.453 10.189 309 HA ASN 36 HA ASN 36 5.849 -11.469 8.486 310 HB2 ASN 36 HB2 ASN 36 8.253 -11.729 8.759 311 HB3 ASN 36 HB1 ASN 36 8.180 -13.349 8.070 312 HD21 ASN 36 HD21 ASN 36 9.161 -13.155 6.036 313 HD22 ASN 36 HD22 ASN 36 8.750 -11.979 4.884 314 H SER 37 HN SER 37 6.166 -14.980 8.182 315 HA SER 37 HA SER 37 4.866 -14.983 5.567 316 HB2 SER 37 HB2 SER 37 5.669 -17.395 7.190 317 HB3 SER 37 HB1 SER 37 5.417 -17.281 5.450 318 HG SER 37 HG SER 37 7.314 -16.329 5.220 319 H ASN 38 HN ASN 38 3.556 -14.265 8.254 320 HA ASN 38 HA ASN 38 1.774 -16.112 9.188 321 HB2 ASN 38 HB2 ASN 38 0.204 -14.205 9.571 322 HB3 ASN 38 HB1 ASN 38 1.849 -13.880 10.115 323 HD21 ASN 38 HD21 ASN 38 0.393 -11.621 9.642 324 HD22 ASN 38 HD22 ASN 38 0.832 -10.899 8.171 325 H ILE 39 HN ILE 39 0.335 -17.385 8.266 326 HA ILE 39 HA ILE 39 -1.086 -18.291 6.716 327 HB ILE 39 HB ILE 39 -1.985 -15.474 6.185 328 HG12 ILE 39 HG12 ILE 39 -1.779 -15.621 8.573 329 HG13 ILE 39 HG11 ILE 39 -3.471 -15.866 8.173 330 HG21 ILE 39 HG21 ILE 39 -4.161 -16.577 5.942 331 HG22 ILE 39 HG22 ILE 39 -3.449 -18.125 6.404 332 HG23 ILE 39 HG23 ILE 39 -2.986 -17.360 4.883 333 HD11 ILE 39 HD11 ILE 39 -1.450 -17.917 9.048 334 HD12 ILE 39 HD12 ILE 39 -2.914 -18.394 8.187 335 HD13 ILE 39 HD13 ILE 39 -3.035 -17.568 9.738 336 H LEU 40 HN LEU 40 1.274 -18.286 5.599 337 HA LEU 40 HA LEU 40 0.990 -16.987 2.946 338 HB2 LEU 40 HB2 LEU 40 3.028 -16.394 4.297 339 HB3 LEU 40 HB1 LEU 40 3.508 -18.086 4.207 340 HG LEU 40 HG LEU 40 3.454 -17.940 1.720 341 HD11 LEU 40 HD11 LEU 40 2.060 -16.213 1.052 342 HD12 LEU 40 HD12 LEU 40 3.605 -15.376 0.954 343 HD13 LEU 40 HD13 LEU 40 2.569 -15.144 2.362 344 HD21 LEU 40 HD21 LEU 40 5.557 -17.625 2.979 345 HD22 LEU 40 HD22 LEU 40 5.235 -15.894 3.085 346 HD23 LEU 40 HD23 LEU 40 5.537 -16.642 1.517 347 H ASP 41 HN ASP 41 0.726 -18.224 1.206 348 HA ASP 41 HA ASP 41 -0.020 -20.835 1.185 349 HB2 ASP 41 HB2 ASP 41 -0.021 -19.249 -0.776 350 HB3 ASP 41 HB1 ASP 41 1.686 -19.628 -0.996 351 H GLU 42 HN GLU 42 3.297 -19.631 1.075 352 HA GLU 42 HA GLU 42 4.493 -22.200 0.717 353 HB2 GLU 42 HB2 GLU 42 5.593 -20.011 0.201 354 HB3 GLU 42 HB1 GLU 42 5.722 -19.723 1.934 355 HG2 GLU 42 HG2 GLU 42 7.820 -20.677 1.209 356 HG3 GLU 42 HG1 GLU 42 6.968 -21.922 2.119 357 H ARG 43 HN ARG 43 3.739 -20.181 3.527 358 HA ARG 43 HA ARG 43 4.927 -22.054 5.381 359 HB2 ARG 43 HB2 ARG 43 4.668 -19.480 5.635 360 HB3 ARG 43 HB1 ARG 43 3.035 -19.854 6.168 361 HG2 ARG 43 HG2 ARG 43 4.167 -19.898 8.210 362 HG3 ARG 43 HG1 ARG 43 4.271 -21.593 7.747 363 HD2 ARG 43 HD2 ARG 43 6.450 -19.609 7.034 364 HD3 ARG 43 HD1 ARG 43 6.442 -20.479 8.560 365 HE ARG 43 HE ARG 43 6.144 -22.458 6.709 366 HH11 ARG 43 HH21 ARG 43 8.326 -19.818 7.143 367 HH12 ARG 43 HH22 ARG 43 9.675 -20.631 6.425 368 HH21 ARG 43 HH11 ARG 43 7.897 -23.535 5.758 369 HH22 ARG 43 HH12 ARG 43 9.433 -22.742 5.639 370 H GLN 44 HN GLN 44 1.885 -21.670 3.869 371 HA GLN 44 HA GLN 44 0.128 -22.713 5.766 372 HB2 GLN 44 HB2 GLN 44 0.187 -22.761 2.753 373 HB3 GLN 44 HB1 GLN 44 -1.090 -23.597 3.634 374 HG2 GLN 44 HG2 GLN 44 -0.399 -20.687 4.101 375 HG3 GLN 44 HG1 GLN 44 -1.632 -21.211 2.957 376 HE21 GLN 44 HE21 GLN 44 -1.574 -19.888 5.869 377 HE22 GLN 44 HE22 GLN 44 -2.814 -20.740 6.654 378 H GLY 45 HN GLY 45 2.369 -24.335 3.574 379 HA2 GLY 45 HA2 GLY 45 1.437 -26.977 4.067 380 HA3 GLY 45 HA1 GLY 45 3.000 -26.540 3.382 381 H LEU 46 HN LEU 46 3.843 -24.895 5.549 382 HA LEU 46 HA LEU 46 5.059 -26.852 7.174 383 HB2 LEU 46 HB2 LEU 46 6.004 -24.604 6.675 384 HB3 LEU 46 HB1 LEU 46 4.802 -23.899 7.753 385 HG LEU 46 HG LEU 46 6.219 -26.141 9.052 386 HD11 LEU 46 HD11 LEU 46 8.048 -25.347 7.547 387 HD12 LEU 46 HD12 LEU 46 8.412 -25.156 9.258 388 HD13 LEU 46 HD13 LEU 46 7.927 -23.755 8.298 389 HD21 LEU 46 HD21 LEU 46 6.256 -23.222 9.858 390 HD22 LEU 46 HD22 LEU 46 6.329 -24.645 10.901 391 HD23 LEU 46 HD23 LEU 46 4.828 -24.227 10.078 392 H MET 47 HN MET 47 2.267 -24.765 7.647 393 HA MET 47 HA MET 47 1.773 -24.936 10.325 394 HB2 MET 47 HB2 MET 47 -0.167 -25.166 8.019 395 HB3 MET 47 HB1 MET 47 -0.678 -24.972 9.690 396 HG2 MET 47 HG2 MET 47 0.628 -22.866 9.835 397 HG3 MET 47 HG1 MET 47 1.106 -23.059 8.149 398 HE1 MET 47 HE1 MET 47 -0.077 -20.761 7.093 399 HE2 MET 47 HE2 MET 47 0.259 -20.625 8.816 400 HE3 MET 47 HE3 MET 47 -1.290 -20.081 8.185 401 H HIS 48 HN HIS 48 1.231 -27.459 7.900 402 HA HIS 48 HA HIS 48 -0.157 -29.280 9.547 403 HB2 HIS 48 HB2 HIS 48 -0.025 -29.512 7.102 404 HB3 HIS 48 HB1 HIS 48 1.702 -29.850 7.226 405 HD2 HIS 48 HD2 HIS 48 2.302 -32.514 7.766 406 HE1 HIS 48 HE1 HIS 48 -1.610 -33.784 8.716 407 HE2 HIS 48 HE2 HIS 48 0.782 -34.556 8.346 408 H GLU 49 HN GLU 49 3.312 -28.977 8.814 409 HA GLU 49 HA GLU 49 4.080 -31.097 10.580 410 HB2 GLU 49 HB2 GLU 49 5.691 -28.879 9.290 411 HB3 GLU 49 HB1 GLU 49 6.389 -30.203 10.221 412 HG2 GLU 49 HG2 GLU 49 6.547 -31.006 8.022 413 HG3 GLU 49 HG1 GLU 49 5.050 -31.747 8.580 414 H LEU 50 HN LEU 50 3.632 -27.645 10.871 415 HA LEU 50 HA LEU 50 5.096 -27.174 13.207 416 HB2 LEU 50 HB2 LEU 50 3.741 -25.575 11.585 417 HB3 LEU 50 HB1 LEU 50 2.460 -25.800 12.767 418 HG LEU 50 HG LEU 50 5.266 -24.806 13.353 419 HD11 LEU 50 HD11 LEU 50 3.870 -23.142 12.212 420 HD12 LEU 50 HD12 LEU 50 4.121 -22.688 13.899 421 HD13 LEU 50 HD13 LEU 50 2.590 -23.395 13.397 422 HD21 LEU 50 HD21 LEU 50 4.645 -25.904 15.319 423 HD22 LEU 50 HD22 LEU 50 2.931 -25.540 15.107 424 HD23 LEU 50 HD23 LEU 50 4.050 -24.276 15.621 425 H MET 51 HN MET 51 1.716 -28.187 12.763 426 HA MET 51 HA MET 51 1.022 -28.261 15.498 427 HB2 MET 51 HB2 MET 51 -0.638 -28.288 13.667 428 HB3 MET 51 HB1 MET 51 -0.105 -29.910 13.224 429 HG2 MET 51 HG2 MET 51 -0.758 -30.751 15.441 430 HG3 MET 51 HG1 MET 51 -1.244 -29.127 15.925 431 HE1 MET 51 HE1 MET 51 -1.680 -31.612 12.885 432 HE2 MET 51 HE2 MET 51 -3.342 -32.103 13.198 433 HE3 MET 51 HE3 MET 51 -2.105 -32.378 14.422 434 H GLU 52 HN GLU 52 2.425 -30.678 13.332 435 HA GLU 52 HA GLU 52 2.235 -32.920 14.997 436 HB2 GLU 52 HB2 GLU 52 4.323 -32.162 12.943 437 HB3 GLU 52 HB1 GLU 52 4.224 -33.750 13.703 438 HG2 GLU 52 HG2 GLU 52 1.970 -34.073 12.833 439 HG3 GLU 52 HG1 GLU 52 1.964 -32.442 12.164 440 H LEU 53 HN LEU 53 4.892 -30.556 14.687 441 HA LEU 53 HA LEU 53 6.531 -31.715 16.681 442 HB2 LEU 53 HB2 LEU 53 6.405 -29.072 15.280 443 HB3 LEU 53 HB1 LEU 53 7.379 -29.169 16.744 444 HG LEU 53 HG LEU 53 8.594 -31.113 15.765 445 HD11 LEU 53 HD11 LEU 53 6.812 -31.898 14.255 446 HD12 LEU 53 HD12 LEU 53 8.306 -31.601 13.367 447 HD13 LEU 53 HD13 LEU 53 6.989 -30.435 13.286 448 HD21 LEU 53 HD21 LEU 53 8.536 -28.592 14.075 449 HD22 LEU 53 HD22 LEU 53 9.829 -29.791 14.053 450 HD23 LEU 53 HD23 LEU 53 9.516 -28.859 15.516 451 H ILE 54 HN ILE 54 4.072 -29.167 16.812 452 HA ILE 54 HA ILE 54 4.480 -28.513 19.524 453 HB ILE 54 HB ILE 54 2.074 -28.210 17.742 454 HG12 ILE 54 HG12 ILE 54 4.338 -26.930 17.393 455 HG13 ILE 54 HG11 ILE 54 2.832 -26.039 17.366 456 HG21 ILE 54 HG21 ILE 54 2.532 -27.382 20.611 457 HG22 ILE 54 HG22 ILE 54 1.127 -28.183 19.912 458 HG23 ILE 54 HG23 ILE 54 1.431 -26.481 19.569 459 HD11 ILE 54 HD11 ILE 54 3.182 -25.079 19.464 460 HD12 ILE 54 HD12 ILE 54 4.809 -25.095 18.786 461 HD13 ILE 54 HD13 ILE 54 4.328 -26.316 19.961 462 H ASP 55 HN ASP 55 2.315 -30.797 17.933 463 HA ASP 55 HA ASP 55 0.915 -31.592 20.237 464 HB2 ASP 55 HB2 ASP 55 0.083 -32.041 17.978 465 HB3 ASP 55 HB1 ASP 55 1.443 -33.122 17.680 466 H LEU 56 HN LEU 56 3.957 -32.572 18.825 467 HA LEU 56 HA LEU 56 4.243 -34.856 20.587 468 HB2 LEU 56 HB2 LEU 56 6.093 -33.565 18.586 469 HB3 LEU 56 HB1 LEU 56 6.526 -34.985 19.538 470 HG LEU 56 HG LEU 56 4.044 -34.851 17.805 471 HD11 LEU 56 HD11 LEU 56 6.055 -34.541 16.411 472 HD12 LEU 56 HD12 LEU 56 5.307 -36.111 16.114 473 HD13 LEU 56 HD13 LEU 56 6.761 -36.001 17.105 474 HD21 LEU 56 HD21 LEU 56 5.476 -37.034 19.327 475 HD22 LEU 56 HD22 LEU 56 4.514 -37.441 17.908 476 HD23 LEU 56 HD23 LEU 56 3.751 -36.661 19.288 477 H TYR 57 HN TYR 57 5.209 -31.522 20.482 478 HA TYR 57 HA TYR 57 7.183 -31.805 22.595 479 HB2 TYR 57 HB2 TYR 57 6.152 -29.573 20.888 480 HB3 TYR 57 HB1 TYR 57 6.936 -29.155 22.409 481 HD1 TYR 57 HD2 TYR 57 7.588 -31.878 19.896 482 HD2 TYR 57 HD1 TYR 57 9.115 -28.434 21.960 483 HE1 TYR 57 HE2 TYR 57 9.810 -32.242 18.864 484 HE2 TYR 57 HE1 TYR 57 11.334 -28.797 20.923 485 HH TYR 57 HH TYR 57 11.954 -30.305 18.399 486 H GLU 58 HN GLU 58 3.866 -30.672 22.241 487 HA GLU 58 HA GLU 58 3.614 -29.527 24.806 488 HB2 GLU 58 HB2 GLU 58 1.279 -29.456 24.385 489 HB3 GLU 58 HB1 GLU 58 2.049 -29.255 22.813 490 HG2 GLU 58 HG2 GLU 58 1.748 -31.671 22.373 491 HG3 GLU 58 HG1 GLU 58 0.897 -31.849 23.899 492 H GLU 59 HN GLU 59 3.253 -32.789 23.605 493 HA GLU 59 HA GLU 59 2.214 -33.798 26.118 494 HB2 GLU 59 HB2 GLU 59 2.188 -35.965 24.992 495 HB3 GLU 59 HB1 GLU 59 1.397 -34.735 24.010 496 HG2 GLU 59 HG2 GLU 59 2.781 -35.853 22.465 497 HG3 GLU 59 HG1 GLU 59 3.719 -34.425 22.893 498 H SER 60 HN SER 60 5.268 -33.184 24.755 499 HA SER 60 HA SER 60 6.829 -35.303 25.646 500 HB2 SER 60 HB2 SER 60 8.695 -33.763 25.575 501 HB3 SER 60 HB1 SER 60 7.609 -33.402 24.238 502 HG SER 60 HG SER 60 8.196 -31.501 25.339 503 H GLN 61 HN GLN 61 6.444 -32.181 27.359 504 HA GLN 61 HA GLN 61 6.947 -33.595 29.913 505 HB2 GLN 61 HB2 GLN 61 8.267 -31.368 28.812 506 HB3 GLN 61 HB1 GLN 61 7.269 -30.708 30.103 507 HG2 GLN 61 HG2 GLN 61 8.199 -32.482 31.627 508 HG3 GLN 61 HG1 GLN 61 9.312 -32.930 30.332 509 HE21 GLN 61 HE21 GLN 61 8.426 -30.287 32.545 510 HE22 GLN 61 HE22 GLN 61 9.890 -29.442 32.381 511 HA PRO 62 HA PRO 62 3.230 -30.906 30.811 512 HB2 PRO 62 HB2 PRO 62 2.375 -29.068 29.003 513 HB3 PRO 62 HB1 PRO 62 3.796 -28.793 30.025 514 HG2 PRO 62 HG2 PRO 62 3.658 -29.359 27.131 515 HG3 PRO 62 HG1 PRO 62 4.946 -28.582 28.063 516 HD2 PRO 62 HD2 PRO 62 4.828 -31.349 27.184 517 HD3 PRO 62 HD1 PRO 62 6.115 -30.538 28.073 518 H SER 63 HN SER 63 2.530 -33.196 30.256 519 HA SER 63 HA SER 63 0.934 -33.732 27.982 520 HB2 SER 63 HB2 SER 63 1.756 -35.609 29.175 521 HB3 SER 63 HB1 SER 63 1.160 -34.986 30.712 522 HG SER 63 HG SER 63 -0.501 -35.650 28.510 523 H SER 64 HN SER 64 0.134 -32.738 31.298 524 HA SER 64 HA SER 64 -2.544 -31.905 30.333 525 HB2 SER 64 HB2 SER 64 -1.773 -33.153 32.971 526 HB3 SER 64 HB1 SER 64 -3.319 -32.356 32.687 527 HG SER 64 HG SER 64 -2.244 -34.516 31.181 528 H GLU 65 HN GLU 65 0.333 -30.709 31.130 529 HA GLU 65 HA GLU 65 -0.551 -28.639 32.997 530 HB2 GLU 65 HB2 GLU 65 1.674 -29.712 33.225 531 HB3 GLU 65 HB1 GLU 65 2.147 -29.020 31.679 532 HG2 GLU 65 HG2 GLU 65 1.685 -26.744 32.591 533 HG3 GLU 65 HG1 GLU 65 1.278 -27.474 34.138 534 H ARG 66 HN ARG 66 1.751 -27.761 30.586 535 HA ARG 66 HA ARG 66 0.344 -25.420 29.862 536 HB2 ARG 66 HB2 ARG 66 2.752 -26.800 28.667 537 HB3 ARG 66 HB1 ARG 66 2.132 -25.256 28.082 538 HG2 ARG 66 HG2 ARG 66 2.408 -24.282 30.326 539 HG3 ARG 66 HG1 ARG 66 3.012 -25.826 30.925 540 HD2 ARG 66 HD2 ARG 66 4.297 -24.307 28.648 541 HD3 ARG 66 HD1 ARG 66 4.813 -24.161 30.326 542 HE ARG 66 HE ARG 66 4.777 -26.892 29.667 543 HH11 ARG 66 HH21 ARG 66 6.405 -23.962 28.811 544 HH12 ARG 66 HH22 ARG 66 7.902 -24.744 28.424 545 HH21 ARG 66 HH11 ARG 66 6.735 -27.925 29.162 546 HH22 ARG 66 HH12 ARG 66 8.089 -26.988 28.623 547 H LEU 67 HN LEU 67 0.062 -28.650 28.820 548 HA LEU 67 HA LEU 67 -0.464 -28.570 26.147 549 HB2 LEU 67 HB2 LEU 67 -0.690 -30.637 27.410 550 HB3 LEU 67 HB1 LEU 67 -2.085 -29.997 28.275 551 HG LEU 67 HG LEU 67 -3.381 -29.901 26.197 552 HD11 LEU 67 HD11 LEU 67 -0.721 -30.620 24.983 553 HD12 LEU 67 HD12 LEU 67 -1.869 -29.381 24.485 554 HD13 LEU 67 HD13 LEU 67 -2.211 -31.079 24.158 555 HD21 LEU 67 HD21 LEU 67 -3.610 -32.270 25.795 556 HD22 LEU 67 HD22 LEU 67 -3.220 -32.051 27.500 557 HD23 LEU 67 HD23 LEU 67 -1.971 -32.579 26.368 558 H ASN 68 HN ASN 68 -2.645 -27.548 28.749 559 HA ASN 68 HA ASN 68 -4.847 -26.887 27.104 560 HB2 ASN 68 HB2 ASN 68 -3.976 -25.993 29.849 561 HB3 ASN 68 HB1 ASN 68 -5.435 -25.361 29.088 562 HD21 ASN 68 HD21 ASN 68 -5.564 -26.946 31.472 563 HD22 ASN 68 HD22 ASN 68 -6.316 -28.419 31.089 564 H ALA 69 HN ALA 69 -2.030 -25.057 28.205 565 HA ALA 69 HA ALA 69 -2.855 -22.546 27.149 566 HB1 ALA 69 HB1 ALA 69 0.010 -23.414 27.494 567 HB2 ALA 69 HB2 ALA 69 -1.013 -23.009 28.872 568 HB3 ALA 69 HB3 ALA 69 -0.670 -21.793 27.641 569 H PHE 70 HN PHE 70 -1.025 -25.262 25.855 570 HA PHE 70 HA PHE 70 -0.336 -23.928 23.396 571 HB2 PHE 70 HB2 PHE 70 -0.161 -26.786 24.352 572 HB3 PHE 70 HB1 PHE 70 0.245 -26.332 22.696 573 HD1 PHE 70 HD1 PHE 70 1.818 -24.184 22.510 574 HD2 PHE 70 HD2 PHE 70 1.575 -26.769 25.934 575 HE1 PHE 70 HE1 PHE 70 4.062 -23.427 23.241 576 HE2 PHE 70 HE2 PHE 70 3.825 -26.011 26.662 577 HZ PHE 70 HZ PHE 70 5.065 -24.338 25.315 578 H ARG 71 HN ARG 71 -3.083 -25.577 24.614 579 HA ARG 71 HA ARG 71 -4.174 -26.680 22.277 580 HB2 ARG 71 HB2 ARG 71 -5.059 -27.045 24.574 581 HB3 ARG 71 HB1 ARG 71 -5.675 -25.393 24.565 582 HG2 ARG 71 HG2 ARG 71 -7.057 -25.914 22.586 583 HG3 ARG 71 HG1 ARG 71 -6.451 -27.571 22.605 584 HD2 ARG 71 HD2 ARG 71 -8.616 -27.504 23.716 585 HD3 ARG 71 HD1 ARG 71 -7.364 -27.839 24.909 586 HE ARG 71 HE ARG 71 -7.816 -25.041 24.755 587 HH11 ARG 71 HH21 ARG 71 -9.262 -28.001 25.810 588 HH12 ARG 71 HH22 ARG 71 -10.173 -27.264 27.085 589 HH21 ARG 71 HH11 ARG 71 -9.007 -24.065 26.424 590 HH22 ARG 71 HH12 ARG 71 -10.028 -25.035 27.434 591 H GLU 72 HN GLU 72 -4.392 -23.410 23.630 592 HA GLU 72 HA GLU 72 -6.204 -22.361 21.736 593 HB2 GLU 72 HB2 GLU 72 -4.017 -20.984 23.323 594 HB3 GLU 72 HB1 GLU 72 -5.269 -20.147 22.405 595 HG2 GLU 72 HG2 GLU 72 -6.203 -20.191 24.553 596 HG3 GLU 72 HG1 GLU 72 -6.932 -21.613 23.815 597 H LEU 73 HN LEU 73 -2.681 -22.613 21.803 598 HA LEU 73 HA LEU 73 -2.212 -21.168 19.419 599 HB2 LEU 73 HB2 LEU 73 -0.408 -21.635 21.003 600 HB3 LEU 73 HB1 LEU 73 -0.578 -23.366 20.719 601 HG LEU 73 HG LEU 73 0.076 -23.078 18.370 602 HD11 LEU 73 HD11 LEU 73 -0.059 -20.158 19.103 603 HD12 LEU 73 HD12 LEU 73 -0.688 -20.978 17.675 604 HD13 LEU 73 HD13 LEU 73 1.042 -20.686 17.828 605 HD21 LEU 73 HD21 LEU 73 1.810 -23.333 20.181 606 HD22 LEU 73 HD22 LEU 73 2.014 -21.583 20.159 607 HD23 LEU 73 HD23 LEU 73 2.403 -22.534 18.725 608 H ARG 74 HN ARG 74 -2.761 -24.594 20.091 609 HA ARG 74 HA ARG 74 -2.345 -25.523 17.449 610 HB2 ARG 74 HB2 ARG 74 -3.893 -26.673 19.776 611 HB3 ARG 74 HB1 ARG 74 -3.681 -27.519 18.243 612 HG2 ARG 74 HG2 ARG 74 -1.216 -27.347 18.509 613 HG3 ARG 74 HG1 ARG 74 -1.457 -26.559 20.068 614 HD2 ARG 74 HD2 ARG 74 -2.565 -29.293 19.406 615 HD3 ARG 74 HD1 ARG 74 -1.014 -29.047 20.200 616 HE ARG 74 HE ARG 74 -2.752 -27.616 21.741 617 HH11 ARG 74 HH21 ARG 74 -2.630 -30.845 20.509 618 HH12 ARG 74 HH22 ARG 74 -3.491 -31.536 21.844 619 HH21 ARG 74 HH11 ARG 74 -3.884 -28.514 23.498 620 HH22 ARG 74 HH12 ARG 74 -4.199 -30.216 23.537 621 H THR 75 HN THR 75 -5.115 -24.255 19.178 622 HA THR 75 HA THR 75 -7.129 -24.949 17.356 623 HB THR 75 HB THR 75 -6.924 -22.575 19.152 624 HG1 THR 75 HG1 THR 75 -7.464 -23.923 20.641 625 HG21 THR 75 HG21 THR 75 -9.458 -22.676 18.952 626 HG22 THR 75 HG22 THR 75 -9.200 -23.736 17.565 627 HG23 THR 75 HG23 THR 75 -8.593 -22.079 17.538 628 H GLN 76 HN GLN 76 -5.027 -22.098 17.548 629 HA GLN 76 HA GLN 76 -6.162 -20.642 15.428 630 HB2 GLN 76 HB2 GLN 76 -4.458 -19.785 17.059 631 HB3 GLN 76 HB1 GLN 76 -3.237 -20.730 16.209 632 HG2 GLN 76 HG2 GLN 76 -3.173 -18.464 15.352 633 HG3 GLN 76 HG1 GLN 76 -3.849 -19.504 14.099 634 HE21 GLN 76 HE21 GLN 76 -5.667 -18.600 13.140 635 HE22 GLN 76 HE22 GLN 76 -6.777 -17.581 13.920 636 H LEU 77 HN LEU 77 -3.356 -22.853 15.411 637 HA LEU 77 HA LEU 77 -2.973 -22.783 12.603 638 HB2 LEU 77 HB2 LEU 77 -2.103 -24.609 14.821 639 HB3 LEU 77 HB1 LEU 77 -1.808 -25.080 13.149 640 HG LEU 77 HG LEU 77 0.097 -23.812 14.229 641 HD11 LEU 77 HD11 LEU 77 0.691 -22.817 12.228 642 HD12 LEU 77 HD12 LEU 77 -0.864 -22.022 12.019 643 HD13 LEU 77 HD13 LEU 77 -0.690 -23.733 11.645 644 HD21 LEU 77 HD21 LEU 77 -0.135 -21.510 14.793 645 HD22 LEU 77 HD22 LEU 77 -1.564 -22.281 15.478 646 HD23 LEU 77 HD23 LEU 77 -1.689 -21.380 13.970 647 H GLU 78 HN GLU 78 -4.807 -24.924 14.727 648 HA GLU 78 HA GLU 78 -5.575 -26.789 12.759 649 HB2 GLU 78 HB2 GLU 78 -5.779 -27.151 15.210 650 HB3 GLU 78 HB1 GLU 78 -7.085 -25.965 15.250 651 HG2 GLU 78 HG2 GLU 78 -8.409 -27.327 13.707 652 HG3 GLU 78 HG1 GLU 78 -7.093 -28.494 13.581 653 H LYS 79 HN LYS 79 -7.061 -23.778 13.908 654 HA LYS 79 HA LYS 79 -9.414 -23.981 12.351 655 HB2 LYS 79 HB2 LYS 79 -8.924 -22.436 14.361 656 HB3 LYS 79 HB1 LYS 79 -8.135 -21.382 13.190 657 HG2 LYS 79 HG2 LYS 79 -10.363 -20.601 13.294 658 HG3 LYS 79 HG1 LYS 79 -10.282 -21.550 11.815 659 HD2 LYS 79 HD2 LYS 79 -11.986 -22.874 12.565 660 HD3 LYS 79 HD1 LYS 79 -10.999 -23.373 13.936 661 HE2 LYS 79 HE2 LYS 79 -11.768 -21.448 15.221 662 HE3 LYS 79 HE1 LYS 79 -12.695 -20.868 13.837 663 HZ1 LYS 79 HZ1 LYS 79 -13.809 -23.137 13.916 664 HZ2 LYS 79 HZ2 LYS 79 -14.231 -22.019 15.125 665 HZ3 LYS 79 HZ3 LYS 79 -13.150 -23.282 15.473 666 H ALA 80 HN ALA 80 -6.303 -22.356 11.860 667 HA ALA 80 HA ALA 80 -6.950 -21.174 9.392 668 HB1 ALA 80 HB1 ALA 80 -4.943 -20.670 10.892 669 HB2 ALA 80 HB2 ALA 80 -4.630 -20.724 9.158 670 HB3 ALA 80 HB3 ALA 80 -4.186 -22.094 10.176 671 H LEU 81 HN LEU 81 -5.466 -24.269 10.230 672 HA LEU 81 HA LEU 81 -4.998 -25.104 7.560 673 HB2 LEU 81 HB2 LEU 81 -3.833 -26.172 9.409 674 HB3 LEU 81 HB1 LEU 81 -5.359 -26.730 10.090 675 HG LEU 81 HG LEU 81 -5.767 -28.139 8.122 676 HD11 LEU 81 HD11 LEU 81 -3.318 -26.716 7.089 677 HD12 LEU 81 HD12 LEU 81 -4.848 -27.039 6.271 678 HD13 LEU 81 HD13 LEU 81 -3.688 -28.343 6.515 679 HD21 LEU 81 HD21 LEU 81 -4.471 -29.129 9.933 680 HD22 LEU 81 HD22 LEU 81 -2.979 -28.453 9.277 681 HD23 LEU 81 HD23 LEU 81 -3.845 -29.707 8.388 682 H GLY 82 HN GLY 82 -7.683 -25.548 9.808 683 HA2 GLY 82 HA2 GLY 82 -9.189 -27.339 8.223 684 HA3 GLY 82 HA1 GLY 82 -9.827 -26.321 9.511 685 H LEU 83 HN LEU 83 -8.715 -23.914 8.110 686 HA LEU 83 HA LEU 83 -9.580 -22.252 6.774 687 HB2 LEU 83 HB2 LEU 83 -9.872 -24.652 4.959 688 HB3 LEU 83 HB1 LEU 83 -10.056 -22.983 4.422 689 HG LEU 83 HG LEU 83 -7.570 -24.005 5.823 690 HD11 LEU 83 HD11 LEU 83 -6.529 -24.200 3.619 691 HD12 LEU 83 HD12 LEU 83 -8.033 -23.711 2.839 692 HD13 LEU 83 HD13 LEU 83 -7.946 -25.245 3.706 693 HD21 LEU 83 HD21 LEU 83 -7.533 -21.644 5.942 694 HD22 LEU 83 HD22 LEU 83 -8.314 -21.458 4.373 695 HD23 LEU 83 HD23 LEU 83 -6.627 -21.963 4.466 696 H GLU 84 HN GLU 84 -11.408 -23.527 8.618 697 HA GLU 84 HA GLU 84 -13.924 -24.002 7.389 698 HB2 GLU 84 HB2 GLU 84 -13.251 -23.104 10.205 699 HB3 GLU 84 HB1 GLU 84 -14.829 -23.689 9.674 700 HG2 GLU 84 HG2 GLU 84 -12.260 -25.281 9.466 701 HG3 GLU 84 HG1 GLU 84 -13.440 -25.468 10.761 702 H HIS 85 HN HIS 85 -15.409 -22.622 6.639 703 HA HIS 85 HA HIS 85 -14.844 -19.770 6.674 704 HB2 HIS 85 HB2 HIS 85 -17.019 -21.409 5.361 705 HB3 HIS 85 HB1 HIS 85 -16.875 -19.657 5.207 706 HD2 HIS 85 HD2 HIS 85 -15.335 -22.845 3.659 707 HE1 HIS 85 HE1 HIS 85 -13.005 -19.590 2.317 708 HE2 HIS 85 HE2 HIS 85 -13.464 -22.069 2.009 709 H HIS 86 HN HIS 86 -16.223 -18.176 7.493 710 HA HIS 86 HA HIS 86 -17.597 -18.921 9.916 711 HB2 HIS 86 HB2 HIS 86 -17.898 -16.539 10.241 712 HB3 HIS 86 HB1 HIS 86 -16.248 -16.832 9.693 713 HD2 HIS 86 HD2 HIS 86 -18.969 -14.438 8.825 714 HE1 HIS 86 HE1 HIS 86 -16.938 -15.046 5.174 715 HE2 HIS 86 HE2 HIS 86 -18.618 -13.577 6.386 716 H HIS 87 HN HIS 87 -18.541 -19.330 6.879 717 HA HIS 87 HA HIS 87 -21.058 -18.043 6.693 718 HB2 HIS 87 HB2 HIS 87 -19.884 -19.046 4.753 719 HB3 HIS 87 HB1 HIS 87 -20.179 -20.650 5.423 720 HD2 HIS 87 HD2 HIS 87 -22.382 -17.620 4.078 721 HE1 HIS 87 HE1 HIS 87 -24.631 -21.184 3.820 722 HE2 HIS 87 HE2 HIS 87 -24.621 -18.703 3.280 723 H HIS 88 HN HIS 88 -20.108 -21.269 7.865 724 HA HIS 88 HA HIS 88 -22.347 -21.349 9.670 725 HB2 HIS 88 HB2 HIS 88 -23.509 -21.966 7.611 726 HB3 HIS 88 HB1 HIS 88 -22.326 -23.235 7.302 727 HD2 HIS 88 HD2 HIS 88 -25.440 -22.595 9.579 728 HE1 HIS 88 HE1 HIS 88 -24.037 -26.495 10.385 729 HE2 HIS 88 HE2 HIS 88 -25.920 -24.845 10.814 730 H HIS 89 HN HIS 89 -20.998 -24.159 8.067 731 HA HIS 89 HA HIS 89 -20.055 -26.038 9.063 732 HB2 HIS 89 HB2 HIS 89 -18.039 -23.833 9.503 733 HB3 HIS 89 HB1 HIS 89 -17.678 -25.555 9.626 734 HD2 HIS 89 HD2 HIS 89 -18.256 -22.862 6.866 735 HE1 HIS 89 HE1 HIS 89 -17.674 -26.562 4.917 736 HE2 HIS 89 HE2 HIS 89 -17.879 -24.055 4.574 737 H HIS 90 HN HIS 90 -18.490 -23.862 11.363 738 HA HIS 90 HA HIS 90 -19.174 -25.579 13.545 739 HB2 HIS 90 HB2 HIS 90 -17.086 -24.254 13.514 740 HB3 HIS 90 HB1 HIS 90 -18.038 -22.773 13.629 741 HD2 HIS 90 HD2 HIS 90 -18.630 -22.052 16.242 742 HE1 HIS 90 HE1 HIS 90 -17.804 -25.764 18.078 743 HE2 HIS 90 HE2 HIS 90 -18.454 -23.347 18.503 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -10.482 -18.162 14.901 2 H2 MET 1 HT2 MET 1 -9.232 -19.121 14.263 3 H3 MET 1 HT3 MET 1 -9.804 -17.778 13.394 4 HA MET 1 HA MET 1 -8.917 -16.256 14.966 5 HB2 MET 1 HB2 MET 1 -8.245 -18.761 16.527 6 HB3 MET 1 HB1 MET 1 -7.665 -17.150 16.945 7 HG2 MET 1 HG2 MET 1 -10.023 -16.374 17.113 8 HG3 MET 1 HG1 MET 1 -10.567 -18.017 16.786 9 HE1 MET 1 HE1 MET 1 -10.222 -19.942 18.024 10 HE2 MET 1 HE2 MET 1 -9.776 -20.096 19.718 11 HE3 MET 1 HE3 MET 1 -8.519 -19.924 18.501 12 H GLY 2 HN GLY 2 -8.112 -18.450 12.813 13 HA2 GLY 2 HA2 GLY 2 -6.266 -18.876 11.507 14 HA3 GLY 2 HA1 GLY 2 -5.643 -17.337 12.095 15 H VAL 3 HN VAL 3 -3.615 -17.657 12.775 16 HA VAL 3 HA VAL 3 -3.121 -19.601 14.898 17 HB VAL 3 HB VAL 3 -2.682 -20.916 12.885 18 HG11 VAL 3 HG11 VAL 3 -2.006 -18.590 11.652 19 HG12 VAL 3 HG12 VAL 3 -1.453 -20.158 11.079 20 HG13 VAL 3 HG13 VAL 3 -0.391 -19.164 12.062 21 HG21 VAL 3 HG21 VAL 3 -1.196 -21.043 14.956 22 HG22 VAL 3 HG22 VAL 3 -0.046 -20.034 14.083 23 HG23 VAL 3 HG23 VAL 3 -0.464 -21.631 13.462 24 H TRP 4 HN TRP 4 -2.825 -17.698 16.128 25 HA TRP 4 HA TRP 4 -0.275 -16.268 15.571 26 HB2 TRP 4 HB2 TRP 4 -2.814 -15.227 16.840 27 HB3 TRP 4 HB1 TRP 4 -1.293 -14.339 16.746 28 HD1 TRP 4 HD1 TRP 4 -4.385 -15.011 14.840 29 HE1 TRP 4 HE1 TRP 4 -4.180 -14.115 12.431 30 HE3 TRP 4 HE3 TRP 4 0.631 -14.069 14.673 31 HZ2 TRP 4 HZ2 TRP 4 -2.155 -13.130 10.667 32 HZ3 TRP 4 HZ3 TRP 4 1.670 -13.153 12.619 33 HH2 TRP 4 HH2 TRP 4 0.285 -12.684 10.617 34 H THR 5 HN THR 5 1.216 -16.334 17.103 35 HA THR 5 HA THR 5 0.659 -16.501 19.888 36 HB THR 5 HB THR 5 2.001 -18.974 18.810 37 HG1 THR 5 HG1 THR 5 -0.682 -18.962 19.587 38 HG21 THR 5 HG21 THR 5 0.510 -18.349 21.370 39 HG22 THR 5 HG22 THR 5 2.266 -18.380 21.198 40 HG23 THR 5 HG23 THR 5 1.332 -19.864 20.998 41 HA PRO 6 HA PRO 6 4.938 -15.263 18.158 42 HB2 PRO 6 HB2 PRO 6 4.645 -12.543 18.498 43 HB3 PRO 6 HB1 PRO 6 4.221 -13.390 16.998 44 HG2 PRO 6 HG2 PRO 6 2.432 -12.579 19.252 45 HG3 PRO 6 HG1 PRO 6 2.196 -12.374 17.508 46 HD2 PRO 6 HD2 PRO 6 0.990 -14.379 18.814 47 HD3 PRO 6 HD1 PRO 6 1.663 -14.622 17.181 48 H GLU 7 HN GLU 7 6.535 -13.802 19.436 49 HA GLU 7 HA GLU 7 6.928 -14.767 21.976 50 HB2 GLU 7 HB2 GLU 7 8.581 -13.433 20.658 51 HB3 GLU 7 HB1 GLU 7 7.680 -11.973 21.067 52 HG2 GLU 7 HG2 GLU 7 8.051 -12.368 23.449 53 HG3 GLU 7 HG1 GLU 7 8.859 -13.891 23.093 54 H VAL 8 HN VAL 8 4.586 -12.470 20.940 55 HA VAL 8 HA VAL 8 4.166 -10.852 23.140 56 HB VAL 8 HB VAL 8 2.010 -12.167 21.473 57 HG11 VAL 8 HG11 VAL 8 0.741 -10.115 22.030 58 HG12 VAL 8 HG12 VAL 8 2.070 -9.592 23.063 59 HG13 VAL 8 HG13 VAL 8 1.153 -11.041 23.472 60 HG21 VAL 8 HG21 VAL 8 3.384 -9.506 21.017 61 HG22 VAL 8 HG22 VAL 8 2.254 -10.325 19.939 62 HG23 VAL 8 HG23 VAL 8 3.868 -10.985 20.190 63 H LEU 9 HN LEU 9 2.677 -14.040 22.540 64 HA LEU 9 HA LEU 9 1.451 -14.220 25.071 65 HB2 LEU 9 HB2 LEU 9 0.741 -15.611 23.171 66 HB3 LEU 9 HB1 LEU 9 2.300 -16.433 23.181 67 HG LEU 9 HG LEU 9 1.848 -17.249 25.481 68 HD11 LEU 9 HD11 LEU 9 0.449 -15.694 26.519 69 HD12 LEU 9 HD12 LEU 9 -0.697 -16.970 26.138 70 HD13 LEU 9 HD13 LEU 9 -0.603 -15.538 25.112 71 HD21 LEU 9 HD21 LEU 9 1.184 -18.646 23.583 72 HD22 LEU 9 HD22 LEU 9 -0.368 -17.810 23.494 73 HD23 LEU 9 HD23 LEU 9 0.018 -18.806 24.897 74 H LYS 10 HN LYS 10 4.575 -15.262 23.822 75 HA LYS 10 HA LYS 10 5.444 -16.807 25.988 76 HB2 LYS 10 HB2 LYS 10 6.626 -16.614 23.786 77 HB3 LYS 10 HB1 LYS 10 7.160 -15.005 24.264 78 HG2 LYS 10 HG2 LYS 10 8.309 -15.947 26.208 79 HG3 LYS 10 HG1 LYS 10 7.748 -17.560 25.765 80 HD2 LYS 10 HD2 LYS 10 8.918 -17.231 23.532 81 HD3 LYS 10 HD1 LYS 10 9.642 -15.778 24.216 82 HE2 LYS 10 HE2 LYS 10 9.854 -18.504 25.472 83 HE3 LYS 10 HE1 LYS 10 11.077 -17.818 24.410 84 HZ1 LYS 10 HZ1 LYS 10 11.898 -17.077 26.367 85 HZ2 LYS 10 HZ2 LYS 10 10.390 -17.116 27.151 86 HZ3 LYS 10 HZ3 LYS 10 10.781 -15.826 26.115 87 H ALA 11 HN ALA 11 5.770 -13.318 25.375 88 HA ALA 11 HA ALA 11 7.170 -12.749 27.787 89 HB1 ALA 11 HB1 ALA 11 6.384 -10.376 27.307 90 HB2 ALA 11 HB2 ALA 11 5.572 -11.031 25.884 91 HB3 ALA 11 HB3 ALA 11 7.326 -11.146 26.029 92 H ARG 12 HN ARG 12 3.771 -12.843 26.880 93 HA ARG 12 HA ARG 12 2.716 -11.656 29.204 94 HB2 ARG 12 HB2 ARG 12 1.409 -12.031 27.125 95 HB3 ARG 12 HB1 ARG 12 1.455 -13.765 27.427 96 HG2 ARG 12 HG2 ARG 12 -0.664 -12.872 28.246 97 HG3 ARG 12 HG1 ARG 12 0.307 -13.378 29.621 98 HD2 ARG 12 HD2 ARG 12 0.725 -11.196 30.306 99 HD3 ARG 12 HD1 ARG 12 0.566 -10.533 28.682 100 HE ARG 12 HE ARG 12 -1.947 -11.474 29.361 101 HH11 ARG 12 HH21 ARG 12 0.390 -9.228 30.574 102 HH12 ARG 12 HH22 ARG 12 -0.788 -8.164 31.268 103 HH21 ARG 12 HH11 ARG 12 -3.499 -10.083 30.271 104 HH22 ARG 12 HH12 ARG 12 -2.989 -8.647 31.096 105 H ALA 13 HN ALA 13 3.404 -15.026 28.367 106 HA ALA 13 HA ALA 13 2.537 -15.999 30.955 107 HB1 ALA 13 HB1 ALA 13 3.963 -17.358 28.654 108 HB2 ALA 13 HB2 ALA 13 2.241 -17.438 29.020 109 HB3 ALA 13 HB3 ALA 13 3.409 -18.180 30.113 110 H SER 14 HN SER 14 5.568 -15.344 29.284 111 HA SER 14 HA SER 14 7.196 -16.291 31.485 112 HB2 SER 14 HB2 SER 14 8.081 -14.649 29.108 113 HB3 SER 14 HB1 SER 14 9.074 -15.680 30.135 114 HG SER 14 HG SER 14 7.799 -17.454 29.381 115 H VAL 15 HN VAL 15 5.382 -13.570 30.935 116 HA VAL 15 HA VAL 15 5.288 -11.481 31.880 117 HB VAL 15 HB VAL 15 7.109 -12.773 33.924 118 HG11 VAL 15 HG11 VAL 15 6.012 -10.994 35.398 119 HG12 VAL 15 HG12 VAL 15 5.480 -10.226 33.901 120 HG13 VAL 15 HG13 VAL 15 7.202 -10.410 34.235 121 HG21 VAL 15 HG21 VAL 15 4.932 -13.038 35.167 122 HG22 VAL 15 HG22 VAL 15 5.042 -14.021 33.706 123 HG23 VAL 15 HG23 VAL 15 4.095 -12.534 33.699 124 H ILE 16 HN ILE 16 8.595 -12.305 32.878 125 HA ILE 16 HA ILE 16 9.558 -9.811 31.696 126 HB ILE 16 HB ILE 16 10.230 -10.531 33.991 127 HG12 ILE 16 HG12 ILE 16 12.574 -10.454 32.071 128 HG13 ILE 16 HG11 ILE 16 11.621 -9.028 32.482 129 HG21 ILE 16 HG21 ILE 16 10.365 -12.991 33.286 130 HG22 ILE 16 HG22 ILE 16 11.671 -12.401 34.314 131 HG23 ILE 16 HG23 ILE 16 11.931 -12.594 32.579 132 HD11 ILE 16 HD11 ILE 16 13.707 -9.340 33.886 133 HD12 ILE 16 HD12 ILE 16 12.953 -10.787 34.555 134 HD13 ILE 16 HD13 ILE 16 12.209 -9.208 34.810 135 H GLY 17 HN GLY 17 10.707 -9.663 29.868 136 HA2 GLY 17 HA2 GLY 17 10.862 -11.815 28.042 137 HA3 GLY 17 HA1 GLY 17 11.687 -10.267 27.875 138 H LYS 18 HN LYS 18 12.372 -13.338 27.702 139 HA LYS 18 HA LYS 18 15.131 -13.047 28.298 140 HB2 LYS 18 HB2 LYS 18 14.189 -13.258 30.619 141 HB3 LYS 18 HB1 LYS 18 13.635 -14.870 30.182 142 HG2 LYS 18 HG2 LYS 18 15.949 -15.537 29.655 143 HG3 LYS 18 HG1 LYS 18 16.511 -13.916 30.059 144 HD2 LYS 18 HD2 LYS 18 16.894 -14.981 32.092 145 HD3 LYS 18 HD1 LYS 18 15.253 -14.402 32.366 146 HE2 LYS 18 HE2 LYS 18 15.304 -16.725 33.002 147 HE3 LYS 18 HE1 LYS 18 14.425 -16.628 31.479 148 HZ1 LYS 18 HZ1 LYS 18 16.368 -17.292 30.288 149 HZ2 LYS 18 HZ2 LYS 18 16.102 -18.415 31.536 150 HZ3 LYS 18 HZ3 LYS 18 17.318 -17.240 31.692 151 HA PRO 19 HA PRO 19 13.697 -16.333 25.292 152 HB2 PRO 19 HB2 PRO 19 16.052 -15.186 23.845 153 HB3 PRO 19 HB1 PRO 19 14.433 -15.577 23.229 154 HG2 PRO 19 HG2 PRO 19 15.185 -13.053 23.642 155 HG3 PRO 19 HG1 PRO 19 13.527 -13.587 23.981 156 HD2 PRO 19 HD2 PRO 19 15.762 -13.040 25.910 157 HD3 PRO 19 HD1 PRO 19 14.020 -12.715 26.080 158 H ILE 20 HN ILE 20 14.365 -18.296 25.926 159 HA ILE 20 HA ILE 20 17.083 -18.719 26.888 160 HB ILE 20 HB ILE 20 14.835 -20.719 26.648 161 HG12 ILE 20 HG12 ILE 20 15.641 -19.088 29.081 162 HG13 ILE 20 HG11 ILE 20 14.283 -18.657 28.034 163 HG21 ILE 20 HG21 ILE 20 17.252 -20.655 28.482 164 HG22 ILE 20 HG22 ILE 20 17.215 -21.543 26.961 165 HG23 ILE 20 HG23 ILE 20 16.117 -21.985 28.261 166 HD11 ILE 20 HD11 ILE 20 13.340 -20.962 28.432 167 HD12 ILE 20 HD12 ILE 20 13.385 -19.935 29.867 168 HD13 ILE 20 HD13 ILE 20 14.593 -21.199 29.650 169 H GLY 21 HN GLY 21 18.686 -19.633 25.767 170 HA2 GLY 21 HA2 GLY 21 18.198 -20.375 22.981 171 HA3 GLY 21 HA1 GLY 21 19.765 -20.222 23.770 172 H GLU 22 HN GLU 22 17.406 -22.373 22.679 173 HA GLU 22 HA GLU 22 18.939 -24.678 23.162 174 HB2 GLU 22 HB2 GLU 22 17.457 -25.781 24.858 175 HB3 GLU 22 HB1 GLU 22 18.379 -24.435 25.509 176 HG2 GLU 22 HG2 GLU 22 16.447 -22.949 25.257 177 HG3 GLU 22 HG1 GLU 22 15.519 -24.263 24.538 178 H SER 23 HN SER 23 17.077 -26.660 23.283 179 HA SER 23 HA SER 23 15.954 -26.609 20.669 180 HB2 SER 23 HB2 SER 23 14.956 -28.780 21.309 181 HB3 SER 23 HB1 SER 23 16.668 -28.701 21.713 182 HG SER 23 HG SER 23 14.831 -29.360 23.334 183 H TYR 24 HN TYR 24 14.670 -26.007 23.892 184 HA TYR 24 HA TYR 24 11.927 -26.101 23.302 185 HB2 TYR 24 HB2 TYR 24 12.876 -25.948 25.599 186 HB3 TYR 24 HB1 TYR 24 13.312 -24.270 25.278 187 HD1 TYR 24 HD1 TYR 24 11.509 -22.594 24.745 188 HD2 TYR 24 HD2 TYR 24 10.631 -26.558 26.145 189 HE1 TYR 24 HE1 TYR 24 9.214 -21.873 25.349 190 HE2 TYR 24 HE2 TYR 24 8.336 -25.839 26.745 191 HH TYR 24 HH TYR 24 6.736 -24.070 26.094 192 H LYS 25 HN LYS 25 14.358 -23.847 22.396 193 HA LYS 25 HA LYS 25 12.488 -21.678 21.844 194 HB2 LYS 25 HB2 LYS 25 14.832 -21.261 22.612 195 HB3 LYS 25 HB1 LYS 25 15.409 -21.920 21.083 196 HG2 LYS 25 HG2 LYS 25 14.237 -20.192 19.840 197 HG3 LYS 25 HG1 LYS 25 13.494 -19.583 21.319 198 HD2 LYS 25 HD2 LYS 25 15.746 -19.036 22.197 199 HD3 LYS 25 HD1 LYS 25 16.461 -19.614 20.692 200 HE2 LYS 25 HE2 LYS 25 14.419 -17.380 20.852 201 HE3 LYS 25 HE1 LYS 25 16.161 -17.123 20.762 202 HZ1 LYS 25 HZ1 LYS 25 16.202 -18.312 18.668 203 HZ2 LYS 25 HZ2 LYS 25 15.123 -17.003 18.580 204 HZ3 LYS 25 HZ3 LYS 25 14.530 -18.586 18.757 205 H ARG 26 HN ARG 26 13.515 -24.508 20.324 206 HA ARG 26 HA ARG 26 13.634 -23.723 17.629 207 HB2 ARG 26 HB2 ARG 26 14.424 -25.907 18.457 208 HB3 ARG 26 HB1 ARG 26 12.759 -26.372 18.801 209 HG2 ARG 26 HG2 ARG 26 13.173 -25.369 16.026 210 HG3 ARG 26 HG1 ARG 26 14.054 -26.848 16.390 211 HD2 ARG 26 HD2 ARG 26 11.087 -26.434 16.851 212 HD3 ARG 26 HD1 ARG 26 11.789 -27.315 15.500 213 HE ARG 26 HE ARG 26 11.574 -28.229 18.254 214 HH11 ARG 26 HH21 ARG 26 13.136 -28.533 15.183 215 HH12 ARG 26 HH22 ARG 26 13.625 -30.174 15.439 216 HH21 ARG 26 HH11 ARG 26 12.213 -30.376 18.601 217 HH22 ARG 26 HH12 ARG 26 13.099 -31.220 17.375 218 H ILE 27 HN ILE 27 10.956 -24.790 19.676 219 HA ILE 27 HA ILE 27 9.008 -24.792 17.634 220 HB ILE 27 HB ILE 27 7.392 -24.628 19.626 221 HG12 ILE 27 HG12 ILE 27 9.975 -25.028 21.157 222 HG13 ILE 27 HG11 ILE 27 9.138 -23.478 21.068 223 HG21 ILE 27 HG21 ILE 27 7.920 -26.776 18.660 224 HG22 ILE 27 HG22 ILE 27 8.047 -26.938 20.412 225 HG23 ILE 27 HG23 ILE 27 9.506 -26.790 19.432 226 HD11 ILE 27 HD11 ILE 27 7.126 -24.493 22.042 227 HD12 ILE 27 HD12 ILE 27 8.513 -24.718 23.107 228 HD13 ILE 27 HD13 ILE 27 7.940 -26.056 22.112 229 H LEU 28 HN LEU 28 10.176 -22.374 19.866 230 HA LEU 28 HA LEU 28 8.212 -20.399 19.089 231 HB2 LEU 28 HB2 LEU 28 10.636 -20.383 20.882 232 HB3 LEU 28 HB1 LEU 28 9.787 -18.891 20.483 233 HG LEU 28 HG LEU 28 8.206 -21.267 21.476 234 HD11 LEU 28 HD11 LEU 28 9.838 -19.346 23.150 235 HD12 LEU 28 HD12 LEU 28 9.905 -21.107 23.158 236 HD13 LEU 28 HD13 LEU 28 8.486 -20.275 23.796 237 HD21 LEU 28 HD21 LEU 28 6.809 -19.397 22.405 238 HD22 LEU 28 HD22 LEU 28 6.963 -19.327 20.656 239 HD23 LEU 28 HD23 LEU 28 7.915 -18.245 21.667 240 H ALA 29 HN ALA 29 11.358 -21.400 18.092 241 HA ALA 29 HA ALA 29 12.205 -18.986 16.858 242 HB1 ALA 29 HB1 ALA 29 13.745 -20.497 15.578 243 HB2 ALA 29 HB2 ALA 29 12.946 -21.870 16.343 244 HB3 ALA 29 HB3 ALA 29 13.827 -20.703 17.329 245 H LYS 30 HN LYS 30 10.398 -21.800 15.693 246 HA LYS 30 HA LYS 30 10.287 -20.943 12.975 247 HB2 LYS 30 HB2 LYS 30 8.496 -22.654 12.765 248 HB3 LYS 30 HB1 LYS 30 9.952 -23.285 13.536 249 HG2 LYS 30 HG2 LYS 30 8.979 -23.167 15.703 250 HG3 LYS 30 HG1 LYS 30 7.612 -22.213 15.133 251 HD2 LYS 30 HD2 LYS 30 6.998 -24.184 13.657 252 HD3 LYS 30 HD1 LYS 30 8.211 -25.114 14.534 253 HE2 LYS 30 HE2 LYS 30 6.208 -25.559 15.700 254 HE3 LYS 30 HE1 LYS 30 6.975 -24.317 16.672 255 HZ1 LYS 30 HZ1 LYS 30 4.882 -23.860 14.625 256 HZ2 LYS 30 HZ2 LYS 30 5.646 -22.650 15.538 257 HZ3 LYS 30 HZ3 LYS 30 4.660 -23.802 16.304 258 H LEU 31 HN LEU 31 8.618 -20.029 15.821 259 HA LEU 31 HA LEU 31 6.116 -19.335 14.935 260 HB2 LEU 31 HB2 LEU 31 7.414 -18.988 17.277 261 HB3 LEU 31 HB1 LEU 31 7.552 -17.342 16.676 262 HG LEU 31 HG LEU 31 5.518 -17.524 17.998 263 HD11 LEU 31 HD11 LEU 31 4.551 -17.609 15.145 264 HD12 LEU 31 HD12 LEU 31 5.580 -16.285 15.691 265 HD13 LEU 31 HD13 LEU 31 4.022 -16.565 16.454 266 HD21 LEU 31 HD21 LEU 31 4.123 -19.334 17.945 267 HD22 LEU 31 HD22 LEU 31 5.433 -20.164 17.121 268 HD23 LEU 31 HD23 LEU 31 4.133 -19.431 16.189 269 H GLN 32 HN GLN 32 9.142 -17.582 14.530 270 HA GLN 32 HA GLN 32 8.123 -15.211 13.423 271 HB2 GLN 32 HB2 GLN 32 10.480 -15.517 14.124 272 HB3 GLN 32 HB1 GLN 32 10.729 -16.609 12.762 273 HG2 GLN 32 HG2 GLN 32 10.238 -14.840 11.178 274 HG3 GLN 32 HG1 GLN 32 9.789 -13.743 12.483 275 HE21 GLN 32 HE21 GLN 32 11.861 -13.021 10.678 276 HE22 GLN 32 HE22 GLN 32 13.340 -13.038 11.511 277 H ARG 33 HN ARG 33 8.918 -18.336 11.959 278 HA ARG 33 HA ARG 33 8.536 -17.552 9.255 279 HB2 ARG 33 HB2 ARG 33 9.679 -19.652 9.967 280 HB3 ARG 33 HB1 ARG 33 8.114 -20.296 10.464 281 HG2 ARG 33 HG2 ARG 33 7.281 -19.954 8.128 282 HG3 ARG 33 HG1 ARG 33 8.900 -19.433 7.664 283 HD2 ARG 33 HD2 ARG 33 9.751 -21.654 8.521 284 HD3 ARG 33 HD1 ARG 33 8.068 -22.149 8.707 285 HE ARG 33 HE ARG 33 9.520 -21.841 6.206 286 HH11 ARG 33 HH21 ARG 33 6.476 -22.049 7.832 287 HH12 ARG 33 HH22 ARG 33 5.601 -22.554 6.425 288 HH21 ARG 33 HH11 ARG 33 8.383 -22.501 4.355 289 HH22 ARG 33 HH12 ARG 33 6.681 -22.808 4.455 290 H ILE 34 HN ILE 34 6.361 -18.803 11.738 291 HA ILE 34 HA ILE 34 4.109 -19.238 10.106 292 HB ILE 34 HB ILE 34 4.093 -18.361 13.006 293 HG12 ILE 34 HG12 ILE 34 5.638 -20.219 12.803 294 HG13 ILE 34 HG11 ILE 34 4.139 -20.841 13.475 295 HG21 ILE 34 HG21 ILE 34 1.887 -18.412 11.928 296 HG22 ILE 34 HG22 ILE 34 2.032 -19.748 13.068 297 HG23 ILE 34 HG23 ILE 34 2.201 -20.044 11.339 298 HD11 ILE 34 HD11 ILE 34 3.535 -21.305 10.966 299 HD12 ILE 34 HD12 ILE 34 4.608 -22.409 11.801 300 HD13 ILE 34 HD13 ILE 34 5.267 -21.192 10.712 301 H HIS 35 HN HIS 35 5.196 -16.381 11.885 302 HA HIS 35 HA HIS 35 2.989 -14.738 11.514 303 HB2 HIS 35 HB2 HIS 35 4.910 -14.127 12.923 304 HB3 HIS 35 HB1 HIS 35 5.917 -13.956 11.484 305 HD2 HIS 35 HD2 HIS 35 3.489 -11.834 13.571 306 HE1 HIS 35 HE1 HIS 35 4.058 -9.759 9.938 307 HE2 HIS 35 HE2 HIS 35 3.106 -9.593 12.287 308 H ASN 36 HN ASN 36 5.794 -15.202 9.374 309 HA ASN 36 HA ASN 36 4.635 -13.488 7.329 310 HB2 ASN 36 HB2 ASN 36 6.681 -14.229 6.035 311 HB3 ASN 36 HB1 ASN 36 7.009 -13.376 7.542 312 HD21 ASN 36 HD21 ASN 36 6.616 -16.746 6.311 313 HD22 ASN 36 HD22 ASN 36 7.757 -17.416 7.372 314 H SER 37 HN SER 37 5.063 -16.922 7.959 315 HA SER 37 HA SER 37 3.947 -17.637 5.348 316 HB2 SER 37 HB2 SER 37 4.790 -19.514 7.556 317 HB3 SER 37 HB1 SER 37 4.601 -19.866 5.840 318 HG SER 37 HG SER 37 6.515 -19.061 5.479 319 H ASN 38 HN ASN 38 2.526 -16.419 7.852 320 HA ASN 38 HA ASN 38 0.757 -18.150 9.029 321 HB2 ASN 38 HB2 ASN 38 -0.821 -16.253 9.156 322 HB3 ASN 38 HB1 ASN 38 0.823 -15.762 9.557 323 HD21 ASN 38 HD21 ASN 38 2.077 -14.664 7.761 324 HD22 ASN 38 HD22 ASN 38 1.219 -13.783 6.592 325 H ILE 39 HN ILE 39 -0.613 -19.601 8.247 326 HA ILE 39 HA ILE 39 -1.822 -20.806 6.677 327 HB ILE 39 HB ILE 39 -3.119 -18.134 6.182 328 HG12 ILE 39 HG12 ILE 39 -3.491 -20.014 8.500 329 HG13 ILE 39 HG11 ILE 39 -2.788 -18.407 8.596 330 HG21 ILE 39 HG21 ILE 39 -4.323 -20.894 6.420 331 HG22 ILE 39 HG22 ILE 39 -3.801 -20.216 4.880 332 HG23 ILE 39 HG23 ILE 39 -5.093 -19.437 5.792 333 HD11 ILE 39 HD11 ILE 39 -4.992 -17.570 7.565 334 HD12 ILE 39 HD12 ILE 39 -5.053 -18.108 9.244 335 HD13 ILE 39 HD13 ILE 39 -5.640 -19.162 7.957 336 H LEU 40 HN LEU 40 0.477 -20.478 5.488 337 HA LEU 40 HA LEU 40 -0.012 -19.211 2.871 338 HB2 LEU 40 HB2 LEU 40 2.030 -18.529 4.158 339 HB3 LEU 40 HB1 LEU 40 2.610 -20.188 4.032 340 HG LEU 40 HG LEU 40 2.458 -20.009 1.539 341 HD11 LEU 40 HD11 LEU 40 0.931 -18.355 0.985 342 HD12 LEU 40 HD12 LEU 40 2.417 -17.432 0.830 343 HD13 LEU 40 HD13 LEU 40 1.441 -17.282 2.288 344 HD21 LEU 40 HD21 LEU 40 4.144 -17.880 2.885 345 HD22 LEU 40 HD22 LEU 40 4.433 -18.561 1.284 346 HD23 LEU 40 HD23 LEU 40 4.587 -19.579 2.717 347 H ASP 41 HN ASP 41 0.165 -20.353 0.977 348 HA ASP 41 HA ASP 41 -0.653 -22.959 0.822 349 HB2 ASP 41 HB2 ASP 41 1.126 -21.416 -1.061 350 HB3 ASP 41 HB1 ASP 41 0.443 -22.994 -1.449 351 H GLU 42 HN GLU 42 2.631 -21.768 1.212 352 HA GLU 42 HA GLU 42 3.871 -24.334 0.895 353 HB2 GLU 42 HB2 GLU 42 5.060 -22.198 0.489 354 HB3 GLU 42 HB1 GLU 42 4.956 -21.839 2.212 355 HG2 GLU 42 HG2 GLU 42 6.240 -23.859 2.743 356 HG3 GLU 42 HG1 GLU 42 6.296 -24.293 1.036 357 H ARG 43 HN ARG 43 2.771 -22.391 3.627 358 HA ARG 43 HA ARG 43 3.880 -24.063 5.644 359 HB2 ARG 43 HB2 ARG 43 3.322 -21.794 6.217 360 HB3 ARG 43 HB1 ARG 43 1.648 -22.026 5.703 361 HG2 ARG 43 HG2 ARG 43 1.236 -23.586 7.515 362 HG3 ARG 43 HG1 ARG 43 2.946 -23.588 7.946 363 HD2 ARG 43 HD2 ARG 43 2.840 -21.368 8.754 364 HD3 ARG 43 HD1 ARG 43 1.315 -21.051 7.938 365 HE ARG 43 HE ARG 43 0.258 -21.869 9.809 366 HH11 ARG 43 HH21 ARG 43 3.431 -23.227 9.552 367 HH12 ARG 43 HH22 ARG 43 3.318 -24.120 11.027 368 HH21 ARG 43 HH11 ARG 43 0.108 -23.032 11.752 369 HH22 ARG 43 HH12 ARG 43 1.439 -24.010 12.275 370 H GLN 44 HN GLN 44 0.997 -24.199 3.721 371 HA GLN 44 HA GLN 44 -0.802 -25.616 5.187 372 HB2 GLN 44 HB2 GLN 44 0.034 -25.989 2.316 373 HB3 GLN 44 HB1 GLN 44 -1.314 -26.875 3.021 374 HG2 GLN 44 HG2 GLN 44 -2.384 -24.740 3.649 375 HG3 GLN 44 HG1 GLN 44 -1.044 -23.859 2.921 376 HE21 GLN 44 HE21 GLN 44 -1.064 -26.216 0.803 377 HE22 GLN 44 HE22 GLN 44 -2.284 -25.726 -0.271 378 H GLY 45 HN GLY 45 2.182 -26.856 3.768 379 HA2 GLY 45 HA2 GLY 45 1.696 -29.586 4.520 380 HA3 GLY 45 HA1 GLY 45 3.218 -28.917 3.934 381 H LEU 46 HN LEU 46 3.595 -26.889 5.833 382 HA LEU 46 HA LEU 46 4.759 -28.356 7.932 383 HB2 LEU 46 HB2 LEU 46 4.893 -25.698 6.965 384 HB3 LEU 46 HB1 LEU 46 4.323 -25.526 8.618 385 HG LEU 46 HG LEU 46 6.756 -25.490 8.624 386 HD11 LEU 46 HD11 LEU 46 6.450 -28.253 9.634 387 HD12 LEU 46 HD12 LEU 46 5.194 -27.170 10.196 388 HD13 LEU 46 HD13 LEU 46 6.877 -26.784 10.500 389 HD21 LEU 46 HD21 LEU 46 8.066 -26.884 7.361 390 HD22 LEU 46 HD22 LEU 46 6.602 -27.182 6.436 391 HD23 LEU 46 HD23 LEU 46 7.087 -28.303 7.703 392 H MET 47 HN MET 47 1.784 -26.510 7.693 393 HA MET 47 HA MET 47 0.955 -26.286 10.273 394 HB2 MET 47 HB2 MET 47 -0.329 -25.611 8.208 395 HB3 MET 47 HB1 MET 47 -0.842 -27.292 8.057 396 HG2 MET 47 HG2 MET 47 -2.589 -26.187 9.261 397 HG3 MET 47 HG1 MET 47 -1.696 -27.112 10.457 398 HE1 MET 47 HE1 MET 47 -2.032 -22.676 9.788 399 HE2 MET 47 HE2 MET 47 -2.376 -24.005 8.692 400 HE3 MET 47 HE3 MET 47 -0.740 -23.383 8.816 401 H HIS 48 HN HIS 48 0.632 -29.194 8.239 402 HA HIS 48 HA HIS 48 -0.614 -30.793 10.216 403 HB2 HIS 48 HB2 HIS 48 -0.603 -31.306 7.777 404 HB3 HIS 48 HB1 HIS 48 1.110 -31.712 7.905 405 HD2 HIS 48 HD2 HIS 48 -2.364 -33.252 8.834 406 HE1 HIS 48 HE1 HIS 48 0.618 -36.002 10.003 407 HE2 HIS 48 HE2 HIS 48 -1.882 -35.660 9.722 408 H GLU 49 HN GLU 49 2.779 -30.408 9.252 409 HA GLU 49 HA GLU 49 3.754 -32.307 11.165 410 HB2 GLU 49 HB2 GLU 49 5.144 -30.179 9.531 411 HB3 GLU 49 HB1 GLU 49 5.989 -31.326 10.571 412 HG2 GLU 49 HG2 GLU 49 4.105 -32.139 8.348 413 HG3 GLU 49 HG1 GLU 49 5.853 -32.039 8.158 414 H LEU 50 HN LEU 50 2.861 -28.994 11.251 415 HA LEU 50 HA LEU 50 4.504 -28.063 13.294 416 HB2 LEU 50 HB2 LEU 50 2.671 -26.862 11.753 417 HB3 LEU 50 HB1 LEU 50 1.636 -27.154 13.133 418 HG LEU 50 HG LEU 50 2.618 -24.968 13.432 419 HD11 LEU 50 HD11 LEU 50 4.302 -26.749 15.179 420 HD12 LEU 50 HD12 LEU 50 2.558 -26.652 15.403 421 HD13 LEU 50 HD13 LEU 50 3.547 -25.223 15.592 422 HD21 LEU 50 HD21 LEU 50 5.438 -25.958 13.523 423 HD22 LEU 50 HD22 LEU 50 4.796 -24.435 12.933 424 HD23 LEU 50 HD23 LEU 50 4.710 -25.854 11.929 425 H MET 51 HN MET 51 1.345 -29.642 13.421 426 HA MET 51 HA MET 51 1.039 -29.527 16.234 427 HB2 MET 51 HB2 MET 51 -0.858 -29.958 14.736 428 HB3 MET 51 HB1 MET 51 -0.123 -31.485 14.239 429 HG2 MET 51 HG2 MET 51 -0.610 -30.955 17.165 430 HG3 MET 51 HG1 MET 51 -1.940 -31.481 16.134 431 HE1 MET 51 HE1 MET 51 -2.142 -33.481 17.803 432 HE2 MET 51 HE2 MET 51 -1.657 -35.001 17.055 433 HE3 MET 51 HE3 MET 51 -2.562 -33.815 16.116 434 H GLU 52 HN GLU 52 2.568 -31.844 14.079 435 HA GLU 52 HA GLU 52 2.922 -33.966 15.861 436 HB2 GLU 52 HB2 GLU 52 4.729 -33.021 13.619 437 HB3 GLU 52 HB1 GLU 52 4.853 -34.587 14.417 438 HG2 GLU 52 HG2 GLU 52 2.368 -33.587 13.002 439 HG3 GLU 52 HG1 GLU 52 3.553 -34.674 12.279 440 H LEU 53 HN LEU 53 5.172 -31.297 15.127 441 HA LEU 53 HA LEU 53 7.085 -32.019 17.074 442 HB2 LEU 53 HB2 LEU 53 6.458 -29.522 15.522 443 HB3 LEU 53 HB1 LEU 53 7.626 -29.427 16.833 444 HG LEU 53 HG LEU 53 8.641 -29.913 14.567 445 HD11 LEU 53 HD11 LEU 53 10.312 -31.136 15.557 446 HD12 LEU 53 HD12 LEU 53 9.216 -32.359 16.186 447 HD13 LEU 53 HD13 LEU 53 9.406 -30.829 17.031 448 HD21 LEU 53 HD21 LEU 53 6.651 -31.464 13.968 449 HD22 LEU 53 HD22 LEU 53 7.490 -32.692 14.902 450 HD23 LEU 53 HD23 LEU 53 8.255 -31.989 13.483 451 H ILE 54 HN ILE 54 4.377 -29.762 17.202 452 HA ILE 54 HA ILE 54 4.885 -28.838 19.810 453 HB ILE 54 HB ILE 54 2.327 -28.995 18.213 454 HG12 ILE 54 HG12 ILE 54 4.103 -27.514 17.328 455 HG13 ILE 54 HG11 ILE 54 2.728 -26.594 17.906 456 HG21 ILE 54 HG21 ILE 54 1.575 -27.221 19.915 457 HG22 ILE 54 HG22 ILE 54 2.918 -27.776 20.915 458 HG23 ILE 54 HG23 ILE 54 1.619 -28.887 20.495 459 HD11 ILE 54 HD11 ILE 54 5.487 -26.740 18.997 460 HD12 ILE 54 HD12 ILE 54 4.201 -26.618 20.186 461 HD13 ILE 54 HD13 ILE 54 4.375 -25.384 18.958 462 H ASP 55 HN ASP 55 2.878 -31.481 18.615 463 HA ASP 55 HA ASP 55 1.901 -32.210 21.189 464 HB2 ASP 55 HB2 ASP 55 0.708 -32.765 19.095 465 HB3 ASP 55 HB1 ASP 55 2.030 -33.838 18.640 466 H LEU 56 HN LEU 56 4.382 -33.578 19.038 467 HA LEU 56 HA LEU 56 5.157 -35.646 20.773 468 HB2 LEU 56 HB2 LEU 56 6.638 -34.240 18.549 469 HB3 LEU 56 HB1 LEU 56 7.271 -35.651 19.385 470 HG LEU 56 HG LEU 56 4.549 -35.607 18.049 471 HD11 LEU 56 HD11 LEU 56 7.174 -36.663 16.953 472 HD12 LEU 56 HD12 LEU 56 6.346 -35.215 16.380 473 HD13 LEU 56 HD13 LEU 56 5.597 -36.798 16.175 474 HD21 LEU 56 HD21 LEU 56 4.522 -37.435 19.491 475 HD22 LEU 56 HD22 LEU 56 6.262 -37.689 19.399 476 HD23 LEU 56 HD23 LEU 56 5.227 -38.183 18.068 477 H TYR 57 HN TYR 57 6.442 -32.393 20.297 478 HA TYR 57 HA TYR 57 8.591 -32.639 22.120 479 HB2 TYR 57 HB2 TYR 57 8.432 -30.862 20.397 480 HB3 TYR 57 HB1 TYR 57 7.105 -30.133 21.302 481 HD1 TYR 57 HD1 TYR 57 10.696 -31.110 21.521 482 HD2 TYR 57 HD2 TYR 57 7.522 -28.742 23.185 483 HE1 TYR 57 HE1 TYR 57 12.333 -29.931 22.962 484 HE2 TYR 57 HE2 TYR 57 9.158 -27.563 24.626 485 HH TYR 57 HH TYR 57 12.635 -28.133 24.306 486 H GLU 58 HN GLU 58 5.318 -31.308 22.488 487 HA GLU 58 HA GLU 58 5.597 -30.539 25.183 488 HB2 GLU 58 HB2 GLU 58 3.187 -31.189 23.499 489 HB3 GLU 58 HB1 GLU 58 3.062 -30.660 25.171 490 HG2 GLU 58 HG2 GLU 58 4.621 -29.104 23.099 491 HG3 GLU 58 HG1 GLU 58 2.915 -28.806 23.408 492 H GLU 59 HN GLU 59 4.883 -33.583 23.675 493 HA GLU 59 HA GLU 59 3.962 -34.840 26.116 494 HB2 GLU 59 HB2 GLU 59 4.535 -35.819 23.323 495 HB3 GLU 59 HB1 GLU 59 4.210 -36.950 24.637 496 HG2 GLU 59 HG2 GLU 59 2.060 -35.872 25.075 497 HG3 GLU 59 HG1 GLU 59 2.379 -34.669 23.834 498 H SER 60 HN SER 60 6.972 -34.042 24.789 499 HA SER 60 HA SER 60 8.540 -36.263 25.487 500 HB2 SER 60 HB2 SER 60 9.310 -33.330 25.526 501 HB3 SER 60 HB1 SER 60 10.429 -34.687 25.469 502 HG SER 60 HG SER 60 9.448 -35.280 23.479 503 H GLN 61 HN GLN 61 8.365 -33.201 27.302 504 HA GLN 61 HA GLN 61 8.771 -34.751 29.792 505 HB2 GLN 61 HB2 GLN 61 10.305 -32.627 28.743 506 HB3 GLN 61 HB1 GLN 61 9.398 -31.915 30.076 507 HG2 GLN 61 HG2 GLN 61 10.149 -33.767 31.539 508 HG3 GLN 61 HG1 GLN 61 11.134 -34.384 30.213 509 HE21 GLN 61 HE21 GLN 61 12.127 -31.935 29.158 510 HE22 GLN 61 HE22 GLN 61 13.119 -31.208 30.326 511 HA PRO 62 HA PRO 62 5.442 -31.643 30.853 512 HB2 PRO 62 HB2 PRO 62 4.840 -29.598 29.111 513 HB3 PRO 62 HB1 PRO 62 6.235 -29.545 30.200 514 HG2 PRO 62 HG2 PRO 62 6.173 -29.861 27.286 515 HG3 PRO 62 HG1 PRO 62 7.525 -29.422 28.331 516 HD2 PRO 62 HD2 PRO 62 6.908 -32.040 27.187 517 HD3 PRO 62 HD1 PRO 62 8.333 -31.520 28.079 518 H SER 63 HN SER 63 4.470 -33.802 30.069 519 HA SER 63 HA SER 63 2.735 -33.762 27.788 520 HB2 SER 63 HB2 SER 63 2.762 -35.631 30.170 521 HB3 SER 63 HB1 SER 63 1.905 -35.899 28.655 522 HG SER 63 HG SER 63 4.632 -36.004 29.236 523 H SER 64 HN SER 64 2.297 -33.391 31.288 524 HA SER 64 HA SER 64 -0.458 -32.391 30.779 525 HB2 SER 64 HB2 SER 64 -0.671 -34.413 32.005 526 HB3 SER 64 HB1 SER 64 0.664 -33.994 33.076 527 HG SER 64 HG SER 64 -0.585 -32.497 34.056 528 H GLU 65 HN GLU 65 2.235 -31.004 30.911 529 HA GLU 65 HA GLU 65 1.995 -29.403 33.342 530 HB2 GLU 65 HB2 GLU 65 4.195 -30.188 32.184 531 HB3 GLU 65 HB1 GLU 65 3.918 -28.847 31.085 532 HG2 GLU 65 HG2 GLU 65 5.262 -27.927 32.811 533 HG3 GLU 65 HG1 GLU 65 3.629 -27.399 33.197 534 H ARG 66 HN ARG 66 3.200 -27.229 31.397 535 HA ARG 66 HA ARG 66 0.938 -25.575 31.341 536 HB2 ARG 66 HB2 ARG 66 3.722 -25.471 30.299 537 HB3 ARG 66 HB1 ARG 66 2.573 -24.430 29.461 538 HG2 ARG 66 HG2 ARG 66 3.565 -23.182 31.294 539 HG3 ARG 66 HG1 ARG 66 1.873 -23.491 31.670 540 HD2 ARG 66 HD2 ARG 66 2.481 -25.367 33.098 541 HD3 ARG 66 HD1 ARG 66 4.178 -25.196 32.649 542 HE ARG 66 HE ARG 66 3.632 -22.764 33.669 543 HH11 ARG 66 HH21 ARG 66 2.920 -25.971 34.757 544 HH12 ARG 66 HH22 ARG 66 3.010 -25.568 36.440 545 HH21 ARG 66 HH11 ARG 66 3.754 -22.229 35.871 546 HH22 ARG 66 HH12 ARG 66 3.482 -23.449 37.070 547 H LEU 67 HN LEU 67 1.776 -28.160 29.337 548 HA LEU 67 HA LEU 67 1.068 -27.529 26.812 549 HB2 LEU 67 HB2 LEU 67 1.619 -29.812 27.398 550 HB3 LEU 67 HB1 LEU 67 0.171 -29.951 28.395 551 HG LEU 67 HG LEU 67 -1.254 -29.706 26.408 552 HD11 LEU 67 HD11 LEU 67 -0.146 -28.279 24.927 553 HD12 LEU 67 HD12 LEU 67 0.110 -29.832 24.149 554 HD13 LEU 67 HD13 LEU 67 1.389 -29.107 25.111 555 HD21 LEU 67 HD21 LEU 67 0.966 -31.740 26.149 556 HD22 LEU 67 HD22 LEU 67 -0.491 -31.753 25.155 557 HD23 LEU 67 HD23 LEU 67 -0.614 -31.964 26.902 558 H ASN 68 HN ASN 68 -1.020 -27.584 29.592 559 HA ASN 68 HA ASN 68 -3.524 -27.625 28.294 560 HB2 ASN 68 HB2 ASN 68 -2.596 -26.508 30.943 561 HB3 ASN 68 HB1 ASN 68 -4.277 -26.396 30.421 562 HD21 ASN 68 HD21 ASN 68 -2.493 -28.214 32.421 563 HD22 ASN 68 HD22 ASN 68 -3.206 -29.738 32.190 564 H ALA 69 HN ALA 69 -1.352 -24.969 29.184 565 HA ALA 69 HA ALA 69 -3.110 -22.907 28.247 566 HB1 ALA 69 HB1 ALA 69 -0.160 -22.925 28.905 567 HB2 ALA 69 HB2 ALA 69 -1.476 -22.328 29.914 568 HB3 ALA 69 HB3 ALA 69 -1.045 -21.477 28.431 569 H PHE 70 HN PHE 70 -0.317 -24.627 26.929 570 HA PHE 70 HA PHE 70 -0.255 -23.134 24.477 571 HB2 PHE 70 HB2 PHE 70 1.015 -25.730 25.343 572 HB3 PHE 70 HB1 PHE 70 1.249 -25.041 23.739 573 HD1 PHE 70 HD1 PHE 70 2.006 -22.541 23.647 574 HD2 PHE 70 HD2 PHE 70 2.408 -25.047 27.113 575 HE1 PHE 70 HE1 PHE 70 3.753 -21.025 24.541 576 HE2 PHE 70 HE2 PHE 70 4.155 -23.531 28.005 577 HZ PHE 70 HZ PHE 70 4.827 -21.520 26.722 578 H ARG 71 HN ARG 71 -2.128 -25.722 25.692 579 HA ARG 71 HA ARG 71 -2.736 -27.276 23.504 580 HB2 ARG 71 HB2 ARG 71 -3.671 -27.616 25.777 581 HB3 ARG 71 HB1 ARG 71 -4.726 -26.225 25.530 582 HG2 ARG 71 HG2 ARG 71 -5.774 -27.340 23.608 583 HG3 ARG 71 HG1 ARG 71 -4.691 -28.718 23.804 584 HD2 ARG 71 HD2 ARG 71 -5.612 -29.018 26.123 585 HD3 ARG 71 HD1 ARG 71 -6.787 -27.756 25.767 586 HE ARG 71 HE ARG 71 -6.849 -30.478 24.815 587 HH11 ARG 71 HH21 ARG 71 -7.755 -27.192 24.214 588 HH12 ARG 71 HH22 ARG 71 -9.096 -27.604 23.198 589 HH21 ARG 71 HH11 ARG 71 -8.603 -31.024 23.480 590 HH22 ARG 71 HH12 ARG 71 -9.574 -29.772 22.780 591 H GLU 72 HN GLU 72 -3.478 -23.942 24.060 592 HA GLU 72 HA GLU 72 -5.628 -23.667 22.222 593 HB2 GLU 72 HB2 GLU 72 -3.595 -21.673 23.250 594 HB3 GLU 72 HB1 GLU 72 -4.977 -21.240 22.244 595 HG2 GLU 72 HG2 GLU 72 -6.517 -22.133 23.923 596 HG3 GLU 72 HG1 GLU 72 -5.160 -22.661 24.916 597 H LEU 73 HN LEU 73 -2.116 -23.416 21.945 598 HA LEU 73 HA LEU 73 -2.006 -22.496 19.294 599 HB2 LEU 73 HB2 LEU 73 -0.024 -22.436 20.686 600 HB3 LEU 73 HB1 LEU 73 -0.059 -24.186 20.890 601 HG LEU 73 HG LEU 73 0.374 -24.506 18.493 602 HD11 LEU 73 HD11 LEU 73 -0.696 -22.730 17.389 603 HD12 LEU 73 HD12 LEU 73 1.001 -22.299 17.224 604 HD13 LEU 73 HD13 LEU 73 0.008 -21.510 18.451 605 HD21 LEU 73 HD21 LEU 73 2.312 -24.222 19.969 606 HD22 LEU 73 HD22 LEU 73 2.243 -22.475 19.736 607 HD23 LEU 73 HD23 LEU 73 2.633 -23.532 18.377 608 H ARG 74 HN ARG 74 -2.120 -25.750 20.664 609 HA ARG 74 HA ARG 74 -1.790 -27.179 18.264 610 HB2 ARG 74 HB2 ARG 74 -3.149 -27.893 20.864 611 HB3 ARG 74 HB1 ARG 74 -2.962 -29.035 19.533 612 HG2 ARG 74 HG2 ARG 74 -0.524 -28.748 19.608 613 HG3 ARG 74 HG1 ARG 74 -0.692 -27.569 20.910 614 HD2 ARG 74 HD2 ARG 74 -0.129 -29.753 21.846 615 HD3 ARG 74 HD1 ARG 74 -1.766 -29.305 22.320 616 HE ARG 74 HE ARG 74 -1.826 -30.832 19.922 617 HH11 ARG 74 HH21 ARG 74 -1.257 -31.044 23.326 618 HH12 ARG 74 HH22 ARG 74 -1.750 -32.700 23.447 619 HH21 ARG 74 HH11 ARG 74 -2.476 -33.008 20.070 620 HH22 ARG 74 HH12 ARG 74 -2.438 -33.813 21.604 621 H THR 75 HN THR 75 -4.605 -25.808 19.866 622 HA THR 75 HA THR 75 -6.607 -26.979 18.292 623 HB THR 75 HB THR 75 -6.708 -24.251 19.466 624 HG1 THR 75 HG1 THR 75 -6.304 -25.319 21.237 625 HG21 THR 75 HG21 THR 75 -8.809 -26.330 18.893 626 HG22 THR 75 HG22 THR 75 -8.579 -24.819 18.013 627 HG23 THR 75 HG23 THR 75 -9.113 -24.789 19.695 628 H GLN 76 HN GLN 76 -4.773 -23.989 17.900 629 HA GLN 76 HA GLN 76 -6.069 -22.968 15.651 630 HB2 GLN 76 HB2 GLN 76 -3.280 -22.746 16.747 631 HB3 GLN 76 HB1 GLN 76 -3.613 -22.079 15.150 632 HG2 GLN 76 HG2 GLN 76 -3.917 -20.385 16.929 633 HG3 GLN 76 HG1 GLN 76 -5.423 -20.714 16.074 634 HE21 GLN 76 HE21 GLN 76 -4.081 -20.457 19.170 635 HE22 GLN 76 HE22 GLN 76 -5.288 -21.283 20.030 636 H LEU 77 HN LEU 77 -3.443 -25.334 15.891 637 HA LEU 77 HA LEU 77 -2.967 -25.625 13.123 638 HB2 LEU 77 HB2 LEU 77 -2.692 -27.752 15.263 639 HB3 LEU 77 HB1 LEU 77 -1.853 -27.693 13.715 640 HG LEU 77 HG LEU 77 -1.585 -25.597 15.882 641 HD11 LEU 77 HD11 LEU 77 -0.642 -27.914 16.390 642 HD12 LEU 77 HD12 LEU 77 0.495 -26.570 16.467 643 HD13 LEU 77 HD13 LEU 77 0.468 -27.627 15.058 644 HD21 LEU 77 HD21 LEU 77 0.506 -25.109 14.395 645 HD22 LEU 77 HD22 LEU 77 -1.063 -24.524 13.861 646 HD23 LEU 77 HD23 LEU 77 -0.380 -25.985 13.149 647 H GLU 78 HN GLU 78 -5.142 -27.315 15.354 648 HA GLU 78 HA GLU 78 -6.161 -29.137 13.426 649 HB2 GLU 78 HB2 GLU 78 -6.308 -29.283 15.992 650 HB3 GLU 78 HB1 GLU 78 -7.666 -28.161 15.860 651 HG2 GLU 78 HG2 GLU 78 -7.511 -30.777 14.333 652 HG3 GLU 78 HG1 GLU 78 -8.330 -30.601 15.881 653 H LYS 79 HN LYS 79 -7.170 -25.940 14.544 654 HA LYS 79 HA LYS 79 -9.618 -25.849 13.114 655 HB2 LYS 79 HB2 LYS 79 -9.058 -24.348 15.006 656 HB3 LYS 79 HB1 LYS 79 -7.860 -23.549 13.989 657 HG2 LYS 79 HG2 LYS 79 -9.601 -22.906 12.390 658 HG3 LYS 79 HG1 LYS 79 -10.817 -23.759 13.339 659 HD2 LYS 79 HD2 LYS 79 -9.136 -21.666 14.710 660 HD3 LYS 79 HD1 LYS 79 -10.438 -21.135 13.647 661 HE2 LYS 79 HE2 LYS 79 -10.794 -23.104 15.926 662 HE3 LYS 79 HE1 LYS 79 -11.175 -21.387 16.021 663 HZ1 LYS 79 HZ1 LYS 79 -12.313 -22.682 13.724 664 HZ2 LYS 79 HZ2 LYS 79 -13.049 -21.675 14.878 665 HZ3 LYS 79 HZ3 LYS 79 -12.865 -23.335 15.190 666 H ALA 80 HN ALA 80 -6.330 -24.737 12.401 667 HA ALA 80 HA ALA 80 -6.906 -23.541 9.917 668 HB1 ALA 80 HB1 ALA 80 -4.771 -23.302 11.272 669 HB2 ALA 80 HB2 ALA 80 -4.546 -23.526 9.536 670 HB3 ALA 80 HB3 ALA 80 -4.299 -24.879 10.641 671 H LEU 81 HN LEU 81 -6.495 -26.839 10.901 672 HA LEU 81 HA LEU 81 -5.843 -27.978 8.430 673 HB2 LEU 81 HB2 LEU 81 -6.096 -29.000 10.915 674 HB3 LEU 81 HB1 LEU 81 -7.677 -29.465 10.303 675 HG LEU 81 HG LEU 81 -6.124 -31.283 9.860 676 HD11 LEU 81 HD11 LEU 81 -6.581 -31.591 7.569 677 HD12 LEU 81 HD12 LEU 81 -6.397 -29.886 7.199 678 HD13 LEU 81 HD13 LEU 81 -7.830 -30.456 8.063 679 HD21 LEU 81 HD21 LEU 81 -4.397 -29.764 7.971 680 HD22 LEU 81 HD22 LEU 81 -3.961 -30.977 9.165 681 HD23 LEU 81 HD23 LEU 81 -4.183 -29.307 9.660 682 H GLY 82 HN GLY 82 -8.962 -27.240 9.909 683 HA2 GLY 82 HA2 GLY 82 -10.545 -28.346 7.807 684 HA3 GLY 82 HA1 GLY 82 -11.100 -27.216 9.041 685 H LEU 83 HN LEU 83 -8.393 -25.937 7.642 686 HA LEU 83 HA LEU 83 -8.037 -24.146 6.245 687 HB2 LEU 83 HB2 LEU 83 -10.277 -25.388 4.625 688 HB3 LEU 83 HB1 LEU 83 -9.032 -24.284 4.039 689 HG LEU 83 HG LEU 83 -8.522 -27.039 5.195 690 HD11 LEU 83 HD11 LEU 83 -9.604 -26.921 2.896 691 HD12 LEU 83 HD12 LEU 83 -8.042 -27.738 2.951 692 HD13 LEU 83 HD13 LEU 83 -8.151 -26.085 2.347 693 HD21 LEU 83 HD21 LEU 83 -6.739 -24.799 4.240 694 HD22 LEU 83 HD22 LEU 83 -6.205 -26.472 4.077 695 HD23 LEU 83 HD23 LEU 83 -6.573 -25.822 5.669 696 H GLU 84 HN GLU 84 -10.637 -24.408 8.124 697 HA GLU 84 HA GLU 84 -12.380 -22.391 7.106 698 HB2 GLU 84 HB2 GLU 84 -13.018 -24.134 8.803 699 HB3 GLU 84 HB1 GLU 84 -12.046 -23.258 9.986 700 HG2 GLU 84 HG2 GLU 84 -14.323 -22.508 10.235 701 HG3 GLU 84 HG1 GLU 84 -13.425 -21.203 9.469 702 H HIS 85 HN HIS 85 -12.289 -20.228 7.285 703 HA HIS 85 HA HIS 85 -10.837 -18.885 9.360 704 HB2 HIS 85 HB2 HIS 85 -8.956 -19.578 7.909 705 HB3 HIS 85 HB1 HIS 85 -9.709 -18.738 6.553 706 HD2 HIS 85 HD2 HIS 85 -9.334 -15.954 6.544 707 HE1 HIS 85 HE1 HIS 85 -7.294 -15.701 10.232 708 HE2 HIS 85 HE2 HIS 85 -8.005 -14.401 8.170 709 H HIS 86 HN HIS 86 -12.255 -17.324 9.776 710 HA HIS 86 HA HIS 86 -12.984 -15.433 7.695 711 HB2 HIS 86 HB2 HIS 86 -15.413 -15.659 8.087 712 HB3 HIS 86 HB1 HIS 86 -14.723 -17.134 7.410 713 HD2 HIS 86 HD2 HIS 86 -16.785 -16.078 10.456 714 HE1 HIS 86 HE1 HIS 86 -15.235 -19.897 11.366 715 HE2 HIS 86 HE2 HIS 86 -16.895 -18.115 12.084 716 H HIS 87 HN HIS 87 -14.037 -13.515 8.579 717 HA HIS 87 HA HIS 87 -14.072 -13.253 11.498 718 HB2 HIS 87 HB2 HIS 87 -12.291 -11.543 9.744 719 HB3 HIS 87 HB1 HIS 87 -12.598 -11.281 11.460 720 HD2 HIS 87 HD2 HIS 87 -10.230 -13.339 9.240 721 HE1 HIS 87 HE1 HIS 87 -9.897 -14.933 13.135 722 HE2 HIS 87 HE2 HIS 87 -8.881 -14.931 10.808 723 H HIS 88 HN HIS 88 -15.084 -11.280 12.220 724 HA HIS 88 HA HIS 88 -17.155 -10.402 10.355 725 HB2 HIS 88 HB2 HIS 88 -17.733 -11.026 12.676 726 HB3 HIS 88 HB1 HIS 88 -16.738 -9.693 13.265 727 HD2 HIS 88 HD2 HIS 88 -18.180 -7.362 13.529 728 HE1 HIS 88 HE1 HIS 88 -21.304 -8.268 10.838 729 HE2 HIS 88 HE2 HIS 88 -20.434 -6.550 12.493 730 H HIS 89 HN HIS 89 -16.464 -8.928 8.947 731 HA HIS 89 HA HIS 89 -14.461 -6.992 9.376 732 HB2 HIS 89 HB2 HIS 89 -16.697 -7.165 7.352 733 HB3 HIS 89 HB1 HIS 89 -15.432 -5.938 7.300 734 HD2 HIS 89 HD2 HIS 89 -15.946 -9.630 6.300 735 HE1 HIS 89 HE1 HIS 89 -11.817 -8.838 5.910 736 HE2 HIS 89 HE2 HIS 89 -13.658 -10.511 5.400 737 H HIS 90 HN HIS 90 -18.031 -6.723 9.599 738 HA HIS 90 HA HIS 90 -17.862 -3.901 10.247 739 HB2 HIS 90 HB2 HIS 90 -19.827 -4.880 9.057 740 HB3 HIS 90 HB1 HIS 90 -20.239 -5.751 10.535 741 HD2 HIS 90 HD2 HIS 90 -20.126 -2.007 9.257 742 HE1 HIS 90 HE1 HIS 90 -22.207 -2.112 12.930 743 HE2 HIS 90 HE2 HIS 90 -21.524 -0.631 10.984
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