NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
25698 | 2kb7 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -44.258 6.398 16.183 2 H2 ALA 1 HT2 ALA 1 -43.859 8.023 15.894 3 H3 ALA 1 HT3 ALA 1 -43.413 7.280 17.357 4 HA ALA 1 HA ALA 1 -41.794 5.950 16.334 5 HB1 ALA 1 HB1 ALA 1 -43.219 5.345 14.375 6 HB2 ALA 1 HB2 ALA 1 -41.579 5.793 13.898 7 HB3 ALA 1 HB3 ALA 1 -42.903 6.938 13.686 8 H MET 2 HN MET 2 -40.367 7.360 17.313 9 HA MET 2 HA MET 2 -40.016 10.062 16.414 10 HB2 MET 2 HB2 MET 2 -38.430 8.320 18.303 11 HB3 MET 2 HB1 MET 2 -38.059 10.014 17.981 12 HG2 MET 2 HG2 MET 2 -40.344 10.641 18.700 13 HG3 MET 2 HG1 MET 2 -40.677 8.950 19.069 14 HE1 MET 2 HE1 MET 2 -38.822 8.088 22.169 15 HE2 MET 2 HE2 MET 2 -38.247 7.695 20.554 16 HE3 MET 2 HE3 MET 2 -39.975 7.670 20.886 17 H GLU 3 HN GLU 3 -38.134 10.954 15.464 18 HA GLU 3 HA GLU 3 -37.138 9.590 13.222 19 HB2 GLU 3 HB2 GLU 3 -36.101 12.023 14.666 20 HB3 GLU 3 HB1 GLU 3 -35.509 11.462 13.102 21 HG2 GLU 3 HG2 GLU 3 -37.723 11.688 12.124 22 HG3 GLU 3 HG1 GLU 3 -38.395 12.149 13.687 23 H LYS 4 HN LYS 4 -35.430 10.402 16.232 24 HA LYS 4 HA LYS 4 -33.564 9.554 17.212 25 HB2 LYS 4 HB2 LYS 4 -34.754 7.142 15.895 26 HB3 LYS 4 HB1 LYS 4 -33.333 7.029 16.922 27 HG2 LYS 4 HG2 LYS 4 -35.821 8.406 17.921 28 HG3 LYS 4 HG1 LYS 4 -35.720 6.649 17.965 29 HD2 LYS 4 HD2 LYS 4 -33.632 6.811 19.291 30 HD3 LYS 4 HD1 LYS 4 -33.768 8.567 19.287 31 HE2 LYS 4 HE2 LYS 4 -35.953 8.413 20.424 32 HE3 LYS 4 HE1 LYS 4 -35.822 6.654 20.430 33 HZ1 LYS 4 HZ1 LYS 4 -35.028 8.136 22.454 34 HZ2 LYS 4 HZ2 LYS 4 -33.588 8.161 21.550 35 HZ3 LYS 4 HZ3 LYS 4 -34.261 6.682 22.047 36 H VAL 5 HN VAL 5 -33.801 9.872 13.935 37 HA VAL 5 HA VAL 5 -31.333 8.671 13.134 38 HB VAL 5 HB VAL 5 -33.412 9.204 11.658 39 HG11 VAL 5 HG11 VAL 5 -31.989 11.834 11.222 40 HG12 VAL 5 HG12 VAL 5 -33.300 11.683 12.387 41 HG13 VAL 5 HG13 VAL 5 -33.597 11.341 10.684 42 HG21 VAL 5 HG21 VAL 5 -30.576 9.830 10.782 43 HG22 VAL 5 HG22 VAL 5 -31.921 9.616 9.663 44 HG23 VAL 5 HG23 VAL 5 -31.405 8.275 10.686 45 H GLN 6 HN GLN 6 -32.496 11.765 14.165 46 HA GLN 6 HA GLN 6 -30.197 13.305 13.601 47 HB2 GLN 6 HB2 GLN 6 -32.471 14.225 14.102 48 HB3 GLN 6 HB1 GLN 6 -32.230 13.777 15.791 49 HG2 GLN 6 HG2 GLN 6 -31.632 16.112 15.532 50 HG3 GLN 6 HG1 GLN 6 -30.151 15.191 15.795 51 HE21 GLN 6 HE21 GLN 6 -28.524 15.544 14.296 52 HE22 GLN 6 HE22 GLN 6 -28.753 16.202 12.749 53 H TYR 7 HN TYR 7 -31.218 11.509 16.463 54 HA TYR 7 HA TYR 7 -29.140 12.322 18.181 55 HB2 TYR 7 HB2 TYR 7 -31.095 11.137 19.025 56 HB3 TYR 7 HB1 TYR 7 -30.669 9.711 18.081 57 HD1 TYR 7 HD1 TYR 7 -29.480 11.935 20.842 58 HD2 TYR 7 HD2 TYR 7 -29.105 8.121 18.894 59 HE1 TYR 7 HE1 TYR 7 -28.028 11.133 22.686 60 HE2 TYR 7 HE2 TYR 7 -27.653 7.324 20.740 61 HH TYR 7 HH TYR 7 -26.554 7.892 22.578 62 H LEU 8 HN LEU 8 -29.419 9.441 16.098 63 HA LEU 8 HA LEU 8 -26.926 8.304 16.613 64 HB2 LEU 8 HB2 LEU 8 -28.524 8.390 14.048 65 HB3 LEU 8 HB1 LEU 8 -27.112 7.363 14.278 66 HG LEU 8 HG LEU 8 -29.540 7.302 16.088 67 HD11 LEU 8 HD11 LEU 8 -30.036 5.152 14.816 68 HD12 LEU 8 HD12 LEU 8 -28.869 5.700 13.613 69 HD13 LEU 8 HD13 LEU 8 -30.320 6.651 13.932 70 HD21 LEU 8 HD21 LEU 8 -28.497 4.892 16.433 71 HD22 LEU 8 HD22 LEU 8 -27.785 6.258 17.274 72 HD23 LEU 8 HD23 LEU 8 -27.025 5.638 15.813 73 H THR 9 HN THR 9 -27.804 10.909 14.395 74 HA THR 9 HA THR 9 -25.295 11.161 13.119 75 HB THR 9 HB THR 9 -27.257 13.395 13.654 76 HG1 THR 9 HG1 THR 9 -27.234 11.322 11.729 77 HG21 THR 9 HG21 THR 9 -25.061 14.020 12.701 78 HG22 THR 9 HG22 THR 9 -26.378 14.275 11.557 79 HG23 THR 9 HG23 THR 9 -25.326 12.872 11.388 80 H ARG 10 HN ARG 10 -26.661 12.777 15.963 81 HA ARG 10 HA ARG 10 -24.507 14.492 16.487 82 HB2 ARG 10 HB2 ARG 10 -26.726 14.691 17.574 83 HB3 ARG 10 HB1 ARG 10 -26.370 13.236 18.507 84 HG2 ARG 10 HG2 ARG 10 -24.432 14.326 19.531 85 HG3 ARG 10 HG1 ARG 10 -24.706 15.775 18.567 86 HD2 ARG 10 HD2 ARG 10 -26.967 15.975 19.620 87 HD3 ARG 10 HD1 ARG 10 -26.555 14.617 20.662 88 HE ARG 10 HE ARG 10 -25.086 16.011 21.851 89 HH11 ARG 10 HH21 ARG 10 -26.326 17.565 19.007 90 HH12 ARG 10 HH22 ARG 10 -25.757 19.137 19.458 91 HH21 ARG 10 HH11 ARG 10 -24.345 18.059 22.439 92 HH22 ARG 10 HH12 ARG 10 -24.637 19.413 21.399 93 H SER 11 HN SER 11 -25.176 11.207 17.543 94 HA SER 11 HA SER 11 -22.856 10.948 19.196 95 HB2 SER 11 HB2 SER 11 -23.359 8.508 19.050 96 HB3 SER 11 HB1 SER 11 -24.738 9.479 19.554 97 HG SER 11 HG1 SER 11 -25.377 9.446 17.310 98 H ALA 12 HN ALA 12 -23.535 10.601 15.856 99 HA ALA 12 HA ALA 12 -21.372 8.970 15.070 100 HB1 ALA 12 HB1 ALA 12 -22.471 11.151 13.315 101 HB2 ALA 12 HB2 ALA 12 -23.422 9.712 13.676 102 HB3 ALA 12 HB3 ALA 12 -21.868 9.559 12.852 103 H ILE 13 HN ILE 13 -21.701 12.431 15.473 104 HA ILE 13 HA ILE 13 -19.000 12.948 14.602 105 HB ILE 13 HB ILE 13 -20.659 14.645 14.157 106 HG12 ILE 13 HG12 ILE 13 -18.817 15.661 16.331 107 HG13 ILE 13 HG11 ILE 13 -18.252 15.232 14.715 108 HG21 ILE 13 HG21 ILE 13 -22.256 14.430 15.876 109 HG22 ILE 13 HG22 ILE 13 -21.499 15.986 16.198 110 HG23 ILE 13 HG23 ILE 13 -21.044 14.574 17.145 111 HD11 ILE 13 HD3 ILE 13 -19.603 16.921 13.691 112 HD12 ILE 13 HD1 ILE 13 -18.814 17.698 15.063 113 HD13 ILE 13 HD2 ILE 13 -20.499 17.200 15.183 114 H ARG 14 HN ARG 14 -20.580 12.303 17.618 115 HA ARG 14 HA ARG 14 -18.722 13.425 19.414 116 HB2 ARG 14 HB2 ARG 14 -20.892 12.355 20.085 117 HB3 ARG 14 HB1 ARG 14 -20.180 10.782 19.728 118 HG2 ARG 14 HG2 ARG 14 -18.390 11.239 21.393 119 HG3 ARG 14 HG1 ARG 14 -19.179 12.769 21.790 120 HD2 ARG 14 HD2 ARG 14 -20.483 10.048 22.024 121 HD3 ARG 14 HD1 ARG 14 -19.803 10.954 23.368 122 HE ARG 14 HE ARG 14 -22.320 11.473 22.019 123 HH11 ARG 14 HH21 ARG 14 -19.723 12.737 23.937 124 HH12 ARG 14 HH22 ARG 14 -20.671 14.010 24.631 125 HH21 ARG 14 HH11 ARG 14 -23.568 13.153 22.932 126 HH22 ARG 14 HH12 ARG 14 -22.841 14.246 24.063 127 H ARG 15 HN ARG 15 -18.825 10.330 17.817 128 HA ARG 15 HA ARG 15 -16.645 9.040 18.804 129 HB2 ARG 15 HB2 ARG 15 -17.644 9.092 15.958 130 HB3 ARG 15 HB1 ARG 15 -16.535 7.890 16.604 131 HG2 ARG 15 HG2 ARG 15 -18.155 7.116 18.194 132 HG3 ARG 15 HG1 ARG 15 -19.242 8.447 17.794 133 HD2 ARG 15 HD2 ARG 15 -19.992 6.412 16.669 134 HD3 ARG 15 HD1 ARG 15 -19.436 7.588 15.484 135 HE ARG 15 HE ARG 15 -17.592 6.199 15.018 136 HH11 ARG 15 HH21 ARG 15 -19.422 5.063 17.734 137 HH12 ARG 15 HH22 ARG 15 -18.647 3.513 17.771 138 HH21 ARG 15 HH11 ARG 15 -16.579 4.164 15.080 139 HH22 ARG 15 HH12 ARG 15 -17.048 3.004 16.279 140 H ALA 16 HN ALA 16 -16.768 11.641 16.458 141 HA ALA 16 HA ALA 16 -14.115 11.512 15.534 142 HB1 ALA 16 HB1 ALA 16 -15.548 14.120 16.049 143 HB2 ALA 16 HB2 ALA 16 -16.015 13.064 14.716 144 HB3 ALA 16 HB3 ALA 16 -14.390 13.746 14.771 145 H SER 17 HN SER 17 -15.618 12.543 18.340 146 HA SER 17 HA SER 17 -13.345 13.887 19.529 147 HB2 SER 17 HB2 SER 17 -15.617 12.854 21.200 148 HB3 SER 17 HB1 SER 17 -14.734 14.367 21.326 149 HG SER 17 HG1 SER 17 -15.903 14.196 18.918 150 H THR 18 HN THR 18 -15.132 10.951 20.660 151 HA THR 18 HA THR 18 -12.532 9.742 21.365 152 HB THR 18 HB THR 18 -13.595 10.587 23.366 153 HG1 THR 18 HG1 THR 18 -12.847 8.147 22.912 154 HG21 THR 18 HG21 THR 18 -15.941 8.867 22.513 155 HG22 THR 18 HG22 THR 18 -15.909 10.625 22.583 156 HG23 THR 18 HG23 THR 18 -15.788 9.686 24.066 157 H ILE 19 HN ILE 19 -13.739 9.129 18.977 158 HA ILE 19 HA ILE 19 -15.481 7.086 18.564 159 HB ILE 19 HB ILE 19 -14.230 7.883 16.712 160 HG12 ILE 19 HG12 ILE 19 -13.163 5.077 17.080 161 HG13 ILE 19 HG11 ILE 19 -14.866 5.388 16.751 162 HG21 ILE 19 HG21 ILE 19 -11.755 7.303 16.560 163 HG22 ILE 19 HG22 ILE 19 -11.848 6.954 18.290 164 HG23 ILE 19 HG23 ILE 19 -12.214 8.576 17.691 165 HD11 ILE 19 HD3 ILE 19 -13.492 4.946 14.678 166 HD12 ILE 19 HD1 ILE 19 -12.610 6.436 15.021 167 HD13 ILE 19 HD2 ILE 19 -14.337 6.495 14.669 168 H GLU 20 HN GLU 20 -12.483 6.803 20.321 169 HA GLU 20 HA GLU 20 -13.247 4.118 21.238 170 HB2 GLU 20 HB2 GLU 20 -11.735 3.855 19.250 171 HB3 GLU 20 HB1 GLU 20 -10.486 4.704 20.160 172 HG2 GLU 20 HG2 GLU 20 -10.107 2.340 20.469 173 HG3 GLU 20 HG1 GLU 20 -10.757 2.964 21.980 174 H MET 21 HN MET 21 -13.683 5.209 23.205 175 HA MET 21 HA MET 21 -12.091 6.931 24.603 176 HB2 MET 21 HB2 MET 21 -13.244 5.016 26.501 177 HB3 MET 21 HB1 MET 21 -13.645 6.703 26.247 178 HG2 MET 21 HG2 MET 21 -14.673 4.448 24.484 179 HG3 MET 21 HG1 MET 21 -15.568 5.166 25.821 180 HE1 MET 21 HE1 MET 21 -17.251 6.404 22.510 181 HE2 MET 21 HE2 MET 21 -17.549 5.670 24.081 182 HE3 MET 21 HE3 MET 21 -16.511 4.844 22.924 183 HA PRO 22 HA PRO 22 -9.834 3.189 26.785 184 HB2 PRO 22 HB2 PRO 22 -9.464 1.452 24.411 185 HB3 PRO 22 HB1 PRO 22 -9.783 0.993 26.085 186 HG2 PRO 22 HG2 PRO 22 -11.676 0.891 24.085 187 HG3 PRO 22 HG1 PRO 22 -12.049 1.040 25.812 188 HD2 PRO 22 HD2 PRO 22 -12.343 3.076 23.696 189 HD3 PRO 22 HD1 PRO 22 -13.014 3.055 25.332 190 H GLN 23 HN GLN 23 -7.879 3.856 26.932 191 HA GLN 23 HA GLN 23 -6.585 5.462 24.948 192 HB2 GLN 23 HB2 GLN 23 -5.632 4.426 27.615 193 HB3 GLN 23 HB1 GLN 23 -4.730 5.566 26.613 194 HG2 GLN 23 HG2 GLN 23 -6.596 7.161 26.714 195 HG3 GLN 23 HG1 GLN 23 -7.536 6.022 27.671 196 HE21 GLN 23 HE21 GLN 23 -7.354 8.188 29.088 197 HE22 GLN 23 HE22 GLN 23 -6.090 8.183 30.221 198 H GLN 24 HN GLN 24 -6.687 2.135 25.486 199 HA GLN 24 HA GLN 24 -4.080 1.620 24.214 200 HB2 GLN 24 HB2 GLN 24 -4.214 0.241 26.091 201 HB3 GLN 24 HB1 GLN 24 -5.968 0.103 25.998 202 HG2 GLN 24 HG2 GLN 24 -5.833 -1.460 24.212 203 HG3 GLN 24 HG1 GLN 24 -4.120 -1.154 23.966 204 HE21 GLN 24 HE21 GLN 24 -3.739 -3.514 24.321 205 HE22 GLN 24 HE22 GLN 24 -3.751 -4.138 25.899 206 H ALA 25 HN ALA 25 -7.526 0.746 24.035 207 HA ALA 25 HA ALA 25 -7.311 -0.589 21.551 208 HB1 ALA 25 HB1 ALA 25 -9.866 0.806 22.244 209 HB2 ALA 25 HB2 ALA 25 -9.313 -0.529 23.246 210 HB3 ALA 25 HB3 ALA 25 -9.627 -0.788 21.535 211 H ARG 26 HN ARG 26 -7.521 2.801 22.298 212 HA ARG 26 HA ARG 26 -8.363 3.723 19.800 213 HB2 ARG 26 HB2 ARG 26 -8.291 5.084 21.873 214 HB3 ARG 26 HB1 ARG 26 -6.527 5.059 21.795 215 HG2 ARG 26 HG2 ARG 26 -6.589 6.138 19.610 216 HG3 ARG 26 HG1 ARG 26 -8.349 6.117 19.641 217 HD2 ARG 26 HD2 ARG 26 -8.264 7.478 21.736 218 HD3 ARG 26 HD1 ARG 26 -6.521 7.618 21.516 219 HE ARG 26 HE ARG 26 -8.017 8.428 19.190 220 HH11 ARG 26 HH21 ARG 26 -6.805 9.375 22.298 221 HH12 ARG 26 HH22 ARG 26 -6.786 11.066 21.921 222 HH21 ARG 26 HH11 ARG 26 -7.987 10.637 18.696 223 HH22 ARG 26 HH12 ARG 26 -7.454 11.780 19.883 224 H GLN 27 HN GLN 27 -5.110 2.997 21.130 225 HA GLN 27 HA GLN 27 -3.859 3.703 18.594 226 HB2 GLN 27 HB2 GLN 27 -2.713 2.725 21.206 227 HB3 GLN 27 HB1 GLN 27 -1.766 3.191 19.794 228 HG2 GLN 27 HG2 GLN 27 -3.730 5.028 21.200 229 HG3 GLN 27 HG1 GLN 27 -1.991 5.032 21.483 230 HE21 GLN 27 HE21 GLN 27 -4.211 6.802 19.910 231 HE22 GLN 27 HE22 GLN 27 -3.327 7.274 18.541 232 H ASN 28 HN ASN 28 -4.609 0.776 20.461 233 HA ASN 28 HA ASN 28 -2.976 -0.972 18.946 234 HB2 ASN 28 HB2 ASN 28 -3.957 -1.634 21.088 235 HB3 ASN 28 HB1 ASN 28 -5.560 -1.573 20.370 236 HD21 ASN 28 HD21 ASN 28 -4.863 -4.003 21.408 237 HD22 ASN 28 HD22 ASN 28 -4.487 -5.105 20.174 238 H LEU 29 HN LEU 29 -6.396 -0.140 18.585 239 HA LEU 29 HA LEU 29 -6.804 -1.740 16.253 240 HB2 LEU 29 HB2 LEU 29 -8.394 0.689 17.103 241 HB3 LEU 29 HB1 LEU 29 -8.934 -0.633 16.068 242 HG LEU 29 HG LEU 29 -8.060 -0.989 18.925 243 HD11 LEU 29 HD11 LEU 29 -10.046 0.374 18.984 244 HD12 LEU 29 HD12 LEU 29 -10.562 -1.274 19.331 245 HD13 LEU 29 HD13 LEU 29 -10.813 -0.593 17.725 246 HD21 LEU 29 HD21 LEU 29 -9.346 -2.788 16.856 247 HD22 LEU 29 HD22 LEU 29 -9.485 -3.138 18.577 248 HD23 LEU 29 HD23 LEU 29 -7.898 -3.087 17.818 249 H GLN 30 HN GLN 30 -6.045 1.663 16.911 250 HA GLN 30 HA GLN 30 -6.121 2.380 14.140 251 HB2 GLN 30 HB2 GLN 30 -4.859 3.743 16.511 252 HB3 GLN 30 HB1 GLN 30 -4.877 4.424 14.892 253 HG2 GLN 30 HG2 GLN 30 -7.397 3.543 16.306 254 HG3 GLN 30 HG1 GLN 30 -6.773 5.192 16.401 255 HE21 GLN 30 HE21 GLN 30 -9.129 3.641 14.859 256 HE22 GLN 30 HE22 GLN 30 -9.063 4.376 13.330 257 H ASN 31 HN ASN 31 -3.704 1.001 16.244 258 HA ASN 31 HA ASN 31 -1.424 1.598 14.688 259 HB2 ASN 31 HB2 ASN 31 -2.034 -0.550 16.710 260 HB3 ASN 31 HB1 ASN 31 -0.539 -0.624 15.784 261 HD21 ASN 31 HD21 ASN 31 -0.508 -0.227 18.628 262 HD22 ASN 31 HD22 ASN 31 0.066 1.340 18.939 263 H LEU 32 HN LEU 32 -3.744 -1.025 14.613 264 HA LEU 32 HA LEU 32 -2.488 -2.584 12.653 265 HB2 LEU 32 HB2 LEU 32 -5.391 -2.282 13.424 266 HB3 LEU 32 HB1 LEU 32 -4.826 -3.471 12.259 267 HG LEU 32 HG LEU 32 -3.760 -3.278 15.093 268 HD11 LEU 32 HD11 LEU 32 -5.901 -5.123 13.992 269 HD12 LEU 32 HD12 LEU 32 -6.192 -3.758 15.070 270 HD13 LEU 32 HD13 LEU 32 -5.257 -5.144 15.634 271 HD21 LEU 32 HD21 LEU 32 -3.272 -5.807 14.445 272 HD22 LEU 32 HD22 LEU 32 -2.193 -4.549 13.863 273 HD23 LEU 32 HD23 LEU 32 -3.415 -5.221 12.788 274 H PHE 33 HN PHE 33 -4.794 0.065 12.531 275 HA PHE 33 HA PHE 33 -5.205 0.039 9.733 276 HB2 PHE 33 HB2 PHE 33 -6.661 1.297 11.281 277 HB3 PHE 33 HB1 PHE 33 -5.328 2.392 11.645 278 HD1 PHE 33 HD2 PHE 33 -7.405 1.092 8.809 279 HD2 PHE 33 HD1 PHE 33 -4.885 4.257 10.260 280 HE1 PHE 33 HE2 PHE 33 -7.964 2.453 6.811 281 HE2 PHE 33 HE1 PHE 33 -5.443 5.615 8.265 282 HZ PHE 33 HZ PHE 33 -6.981 4.716 6.541 283 H ILE 34 HN ILE 34 -2.982 1.855 11.785 284 HA ILE 34 HA ILE 34 -1.657 3.242 9.687 285 HB ILE 34 HB ILE 34 -0.740 2.513 12.476 286 HG12 ILE 34 HG12 ILE 34 -2.645 4.082 12.394 287 HG13 ILE 34 HG11 ILE 34 -1.197 4.902 12.951 288 HG21 ILE 34 HG21 ILE 34 0.594 4.206 10.358 289 HG22 ILE 34 HG22 ILE 34 1.273 2.846 11.253 290 HG23 ILE 34 HG23 ILE 34 0.964 4.376 12.074 291 HD11 ILE 34 HD3 ILE 34 -0.974 5.447 10.310 292 HD12 ILE 34 HD1 ILE 34 -1.921 6.450 11.409 293 HD13 ILE 34 HD2 ILE 34 -2.717 5.241 10.412 294 H ASN 35 HN ASN 35 -0.861 0.227 11.393 295 HA ASN 35 HA ASN 35 1.495 -0.309 9.947 296 HB2 ASN 35 HB2 ASN 35 1.009 -1.403 12.087 297 HB3 ASN 35 HB1 ASN 35 -0.392 -2.193 11.358 298 HD21 ASN 35 HD21 ASN 35 1.621 -3.812 12.454 299 HD22 ASN 35 HD22 ASN 35 2.466 -4.593 11.206 300 H PHE 36 HN PHE 36 -1.867 -1.210 9.610 301 HA PHE 36 HA PHE 36 -1.553 -2.920 7.396 302 HB2 PHE 36 HB2 PHE 36 -3.588 -3.003 8.677 303 HB3 PHE 36 HB1 PHE 36 -3.952 -1.323 8.283 304 HD1 PHE 36 HD2 PHE 36 -3.099 -4.530 6.533 305 HD2 PHE 36 HD1 PHE 36 -5.469 -0.947 6.534 306 HE1 PHE 36 HE2 PHE 36 -4.254 -5.289 4.474 307 HE2 PHE 36 HE1 PHE 36 -6.623 -1.709 4.476 308 HZ PHE 36 HZ PHE 36 -6.016 -3.881 3.444 309 H ALA 37 HN ALA 37 -1.715 0.565 7.631 310 HA ALA 37 HA ALA 37 -2.277 0.994 4.863 311 HB1 ALA 37 HB1 ALA 37 -2.724 2.605 6.799 312 HB2 ALA 37 HB2 ALA 37 -1.989 3.293 5.350 313 HB3 ALA 37 HB3 ALA 37 -0.994 2.946 6.764 314 H LEU 38 HN LEU 38 0.564 0.746 6.911 315 HA LEU 38 HA LEU 38 2.464 1.678 5.056 316 HB2 LEU 38 HB2 LEU 38 2.724 -0.210 7.387 317 HB3 LEU 38 HB1 LEU 38 4.105 0.322 6.436 318 HG LEU 38 HG LEU 38 2.178 2.187 7.855 319 HD11 LEU 38 HD11 LEU 38 4.075 2.514 9.439 320 HD12 LEU 38 HD12 LEU 38 4.932 1.200 8.634 321 HD13 LEU 38 HD13 LEU 38 3.427 0.879 9.481 322 HD21 LEU 38 HD21 LEU 38 3.142 3.556 6.240 323 HD22 LEU 38 HD22 LEU 38 4.603 2.581 6.107 324 HD23 LEU 38 HD23 LEU 38 4.395 3.681 7.470 325 H ILE 39 HN ILE 39 1.065 -1.522 5.600 326 HA ILE 39 HA ILE 39 2.821 -2.919 3.847 327 HB ILE 39 HB ILE 39 -0.025 -3.513 4.731 328 HG12 ILE 39 HG12 ILE 39 2.600 -4.806 5.514 329 HG13 ILE 39 HG11 ILE 39 1.871 -3.485 6.426 330 HG21 ILE 39 HG21 ILE 39 0.590 -5.869 3.949 331 HG22 ILE 39 HG22 ILE 39 1.939 -5.133 3.085 332 HG23 ILE 39 HG23 ILE 39 0.284 -4.700 2.664 333 HD11 ILE 39 HD3 ILE 39 -0.157 -4.826 6.799 334 HD12 ILE 39 HD1 ILE 39 1.262 -5.695 7.383 335 HD13 ILE 39 HD2 ILE 39 0.525 -6.147 5.847 336 H LEU 40 HN LEU 40 -0.307 -1.367 3.455 337 HA LEU 40 HA LEU 40 -0.648 -1.976 0.686 338 HB2 LEU 40 HB2 LEU 40 -1.798 0.230 2.385 339 HB3 LEU 40 HB1 LEU 40 -2.261 -0.036 0.710 340 HG LEU 40 HG LEU 40 -2.469 -2.147 2.877 341 HD11 LEU 40 HD11 LEU 40 -4.027 -0.484 3.504 342 HD12 LEU 40 HD12 LEU 40 -4.978 -1.638 2.572 343 HD13 LEU 40 HD13 LEU 40 -4.458 -0.126 1.830 344 HD21 LEU 40 HD21 LEU 40 -2.493 -3.358 0.871 345 HD22 LEU 40 HD22 LEU 40 -3.180 -2.033 -0.063 346 HD23 LEU 40 HD23 LEU 40 -4.205 -2.980 1.013 347 H ILE 41 HN ILE 41 0.555 0.933 2.308 348 HA ILE 41 HA ILE 41 1.091 2.330 -0.097 349 HB ILE 41 HB ILE 41 1.073 3.167 2.445 350 HG12 ILE 41 HG12 ILE 41 2.885 4.442 0.370 351 HG13 ILE 41 HG11 ILE 41 1.129 4.613 0.403 352 HG21 ILE 41 HG21 ILE 41 3.221 3.593 3.383 353 HG22 ILE 41 HG22 ILE 41 4.048 3.107 1.902 354 HG23 ILE 41 HG23 ILE 41 3.246 1.907 2.893 355 HD11 ILE 41 HD3 ILE 41 1.390 5.465 2.792 356 HD12 ILE 41 HD1 ILE 41 1.983 6.536 1.525 357 HD13 ILE 41 HD2 ILE 41 3.120 5.571 2.465 358 H PHE 42 HN PHE 42 3.238 0.268 1.878 359 HA PHE 42 HA PHE 42 5.577 0.658 0.371 360 HB2 PHE 42 HB2 PHE 42 5.563 -0.448 2.555 361 HB3 PHE 42 HB1 PHE 42 4.679 -1.809 1.867 362 HD1 PHE 42 HD1 PHE 42 7.849 0.136 1.541 363 HD2 PHE 42 HD2 PHE 42 5.833 -3.584 0.774 364 HE1 PHE 42 HE1 PHE 42 9.990 -0.876 0.805 365 HE2 PHE 42 HE2 PHE 42 7.981 -4.592 0.037 366 HZ PHE 42 HZ PHE 42 10.057 -3.236 0.053 367 H LEU 43 HN LEU 43 3.022 -1.806 0.040 368 HA LEU 43 HA LEU 43 4.194 -3.163 -2.153 369 HB2 LEU 43 HB2 LEU 43 1.339 -2.967 -1.195 370 HB3 LEU 43 HB1 LEU 43 1.822 -3.992 -2.541 371 HG LEU 43 HG LEU 43 3.053 -4.162 0.228 372 HD11 LEU 43 HD11 LEU 43 0.606 -4.678 0.244 373 HD12 LEU 43 HD12 LEU 43 1.605 -6.080 0.627 374 HD13 LEU 43 HD13 LEU 43 0.891 -5.921 -0.976 375 HD21 LEU 43 HD21 LEU 43 3.502 -6.584 -0.794 376 HD22 LEU 43 HD22 LEU 43 4.560 -5.248 -1.210 377 HD23 LEU 43 HD23 LEU 43 3.306 -5.752 -2.337 378 H LEU 44 HN LEU 44 1.876 -0.495 -1.941 379 HA LEU 44 HA LEU 44 1.409 -0.310 -4.734 380 HB2 LEU 44 HB2 LEU 44 1.068 1.656 -2.476 381 HB3 LEU 44 HB1 LEU 44 0.622 2.037 -4.139 382 HG LEU 44 HG LEU 44 -0.424 -0.412 -2.692 383 HD11 LEU 44 HD11 LEU 44 -1.174 1.402 -1.345 384 HD12 LEU 44 HD12 LEU 44 -2.530 0.999 -2.398 385 HD13 LEU 44 HD13 LEU 44 -1.526 2.405 -2.753 386 HD21 LEU 44 HD21 LEU 44 -0.861 -0.670 -5.004 387 HD22 LEU 44 HD22 LEU 44 -1.139 1.052 -5.252 388 HD23 LEU 44 HD23 LEU 44 -2.347 0.073 -4.426 389 H LEU 45 HN LEU 45 3.770 1.220 -2.557 390 HA LEU 45 HA LEU 45 4.794 3.068 -4.407 391 HB2 LEU 45 HB2 LEU 45 5.894 1.810 -1.924 392 HB3 LEU 45 HB1 LEU 45 6.891 2.898 -2.878 393 HG LEU 45 HG LEU 45 4.118 3.676 -1.925 394 HD11 LEU 45 HD11 LEU 45 5.184 4.801 -0.025 395 HD12 LEU 45 HD12 LEU 45 6.760 4.183 -0.521 396 HD13 LEU 45 HD13 LEU 45 5.505 3.068 0.026 397 HD21 LEU 45 HD21 LEU 45 4.855 5.219 -3.579 398 HD22 LEU 45 HD22 LEU 45 6.525 5.171 -3.029 399 HD23 LEU 45 HD23 LEU 45 5.302 6.003 -2.072 400 H ILE 46 HN ILE 46 5.844 -0.269 -3.747 401 HA ILE 46 HA ILE 46 8.085 -0.102 -5.487 402 HB ILE 46 HB ILE 46 7.464 -1.949 -3.680 403 HG12 ILE 46 HG12 ILE 46 8.977 -3.571 -4.876 404 HG13 ILE 46 HG11 ILE 46 8.883 -2.543 -6.298 405 HG21 ILE 46 HG21 ILE 46 5.431 -2.651 -5.102 406 HG22 ILE 46 HG22 ILE 46 6.459 -3.931 -4.476 407 HG23 ILE 46 HG23 ILE 46 6.593 -3.435 -6.167 408 HD11 ILE 46 HD3 ILE 46 9.672 -1.185 -3.753 409 HD12 ILE 46 HD1 ILE 46 10.271 -0.951 -5.399 410 HD13 ILE 46 HD2 ILE 46 10.834 -2.316 -4.440 411 H ALA 47 HN ALA 47 4.735 -0.994 -5.931 412 HA ALA 47 HA ALA 47 4.847 -1.946 -8.575 413 HB1 ALA 47 HB1 ALA 47 2.836 -1.883 -6.958 414 HB2 ALA 47 HB2 ALA 47 2.510 -1.596 -8.667 415 HB3 ALA 47 HB3 ALA 47 2.585 -0.240 -7.543 416 H ILE 48 HN ILE 48 4.389 1.362 -7.348 417 HA ILE 48 HA ILE 48 4.211 2.649 -9.859 418 HB ILE 48 HB ILE 48 5.078 3.676 -7.151 419 HG12 ILE 48 HG12 ILE 48 2.507 4.120 -8.692 420 HG13 ILE 48 HG11 ILE 48 2.708 2.816 -7.523 421 HG21 ILE 48 HG21 ILE 48 6.017 5.214 -8.721 422 HG22 ILE 48 HG22 ILE 48 4.486 5.935 -8.221 423 HG23 ILE 48 HG23 ILE 48 4.607 5.110 -9.778 424 HD11 ILE 48 HD3 ILE 48 1.667 4.909 -6.569 425 HD12 ILE 48 HD1 ILE 48 3.198 5.732 -6.867 426 HD13 ILE 48 HD2 ILE 48 3.128 4.382 -5.733 427 H ILE 49 HN ILE 49 6.989 2.048 -7.723 428 HA ILE 49 HA ILE 49 8.902 3.395 -9.329 429 HB ILE 49 HB ILE 49 9.195 1.168 -7.329 430 HG12 ILE 49 HG12 ILE 49 8.391 3.281 -6.366 431 HG13 ILE 49 HG11 ILE 49 10.036 2.964 -5.843 432 HG21 ILE 49 HG21 ILE 49 11.633 1.966 -7.278 433 HG22 ILE 49 HG22 ILE 49 11.288 2.729 -8.830 434 HG23 ILE 49 HG23 ILE 49 11.140 0.981 -8.654 435 HD11 ILE 49 HD3 ILE 49 8.998 5.076 -7.690 436 HD12 ILE 49 HD1 ILE 49 10.621 4.461 -7.990 437 HD13 ILE 49 HD2 ILE 49 10.230 5.188 -6.439 438 H VAL 50 HN VAL 50 7.874 0.028 -9.145 439 HA VAL 50 HA VAL 50 9.686 -0.970 -11.072 440 HB VAL 50 HB VAL 50 6.974 -1.962 -10.159 441 HG11 VAL 50 HG11 VAL 50 8.962 -3.164 -12.099 442 HG12 VAL 50 HG12 VAL 50 7.237 -2.887 -12.348 443 HG13 VAL 50 HG13 VAL 50 7.778 -4.145 -11.235 444 HG21 VAL 50 HG21 VAL 50 9.035 -1.923 -8.607 445 HG22 VAL 50 HG22 VAL 50 9.717 -3.146 -9.677 446 HG23 VAL 50 HG23 VAL 50 8.219 -3.472 -8.808 447 H MET 51 HN MET 51 6.343 0.211 -11.304 448 HA MET 51 HA MET 51 6.146 -0.127 -14.115 449 HB2 MET 51 HB2 MET 51 4.564 1.435 -12.081 450 HB3 MET 51 HB1 MET 51 4.203 1.558 -13.801 451 HG2 MET 51 HG2 MET 51 3.980 -0.950 -13.874 452 HG3 MET 51 HG1 MET 51 4.160 -0.966 -12.118 453 HE1 MET 51 HE1 MET 51 2.485 1.545 -11.023 454 HE2 MET 51 HE2 MET 51 2.711 -0.116 -10.489 455 HE3 MET 51 HE3 MET 51 1.084 0.519 -10.669 456 H LEU 52 HN LEU 52 7.445 2.412 -12.034 457 HA LEU 52 HA LEU 52 7.345 4.519 -13.872 458 HB2 LEU 52 HB2 LEU 52 7.909 4.873 -11.527 459 HB3 LEU 52 HB1 LEU 52 9.386 3.943 -11.720 460 HG LEU 52 HG LEU 52 10.274 5.605 -13.290 461 HD11 LEU 52 HD11 LEU 52 7.510 6.778 -12.990 462 HD12 LEU 52 HD12 LEU 52 8.442 6.487 -14.458 463 HD13 LEU 52 HD13 LEU 52 8.874 7.822 -13.398 464 HD21 LEU 52 HD21 LEU 52 9.132 6.840 -10.761 465 HD22 LEU 52 HD22 LEU 52 10.482 7.486 -11.692 466 HD23 LEU 52 HD23 LEU 52 10.641 5.933 -10.875 467 H LEU 53 HN LEU 53 9.719 1.934 -13.468 468 HA LEU 53 HA LEU 53 11.561 2.958 -15.382 469 HB2 LEU 53 HB2 LEU 53 11.189 0.106 -14.448 470 HB3 LEU 53 HB1 LEU 53 12.620 0.775 -15.235 471 HG LEU 53 HG LEU 53 11.513 1.680 -12.556 472 HD11 LEU 53 HD11 LEU 53 13.946 0.006 -13.251 473 HD12 LEU 53 HD12 LEU 53 12.481 -0.578 -12.462 474 HD13 LEU 53 HD13 LEU 53 13.529 0.577 -11.635 475 HD21 LEU 53 HD21 LEU 53 13.840 2.561 -14.282 476 HD22 LEU 53 HD22 LEU 53 13.933 2.730 -12.528 477 HD23 LEU 53 HD23 LEU 53 12.661 3.552 -13.424 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -4.891 31.974 5.832 2 H2 ALA 1 HT2 ALA 1 -5.464 31.488 7.358 3 H3 ALA 1 HT3 ALA 1 -3.951 32.249 7.213 4 HA ALA 1 HA ALA 1 -4.856 34.318 6.800 5 HB1 ALA 1 HB1 ALA 1 -6.413 33.602 5.056 6 HB2 ALA 1 HB2 ALA 1 -7.266 34.590 6.242 7 HB3 ALA 1 HB3 ALA 1 -7.446 32.834 6.262 8 H MET 2 HN MET 2 -5.389 31.839 8.903 9 HA MET 2 HA MET 2 -6.570 33.624 10.970 10 HB2 MET 2 HB2 MET 2 -7.120 30.693 10.469 11 HB3 MET 2 HB1 MET 2 -7.584 31.541 11.944 12 HG2 MET 2 HG2 MET 2 -8.967 33.089 10.664 13 HG3 MET 2 HG1 MET 2 -8.431 32.354 9.158 14 HE1 MET 2 HE1 MET 2 -11.202 30.754 12.367 15 HE2 MET 2 HE2 MET 2 -9.925 31.958 12.490 16 HE3 MET 2 HE3 MET 2 -9.512 30.250 12.570 17 H GLU 3 HN GLU 3 -5.767 33.354 13.064 18 HA GLU 3 HA GLU 3 -3.021 32.689 13.260 19 HB2 GLU 3 HB2 GLU 3 -3.289 33.131 15.650 20 HB3 GLU 3 HB1 GLU 3 -4.088 34.378 14.689 21 HG2 GLU 3 HG2 GLU 3 -6.250 33.165 14.976 22 HG3 GLU 3 HG1 GLU 3 -5.428 32.012 16.029 23 H LYS 4 HN LYS 4 -5.969 30.949 14.070 24 HA LYS 4 HA LYS 4 -4.904 28.885 15.622 25 HB2 LYS 4 HB2 LYS 4 -7.221 28.873 13.676 26 HB3 LYS 4 HB1 LYS 4 -6.856 27.552 14.794 27 HG2 LYS 4 HG2 LYS 4 -7.059 29.087 16.702 28 HG3 LYS 4 HG1 LYS 4 -7.400 30.424 15.602 29 HD2 LYS 4 HD2 LYS 4 -9.421 29.266 14.797 30 HD3 LYS 4 HD1 LYS 4 -9.104 27.920 15.892 31 HE2 LYS 4 HE2 LYS 4 -9.275 29.444 17.823 32 HE3 LYS 4 HE1 LYS 4 -9.597 30.795 16.733 33 HZ1 LYS 4 HZ1 LYS 4 -11.251 28.343 16.976 34 HZ2 LYS 4 HZ2 LYS 4 -11.573 29.663 15.953 35 HZ3 LYS 4 HZ3 LYS 4 -11.638 29.851 17.643 36 H VAL 5 HN VAL 5 -4.445 29.571 12.313 37 HA VAL 5 HA VAL 5 -3.978 26.962 11.318 38 HB VAL 5 HB VAL 5 -2.907 29.640 10.413 39 HG11 VAL 5 HG11 VAL 5 -1.387 28.021 9.542 40 HG12 VAL 5 HG12 VAL 5 -2.536 28.324 8.240 41 HG13 VAL 5 HG13 VAL 5 -2.683 26.868 9.219 42 HG21 VAL 5 HG21 VAL 5 -5.426 29.096 10.356 43 HG22 VAL 5 HG22 VAL 5 -5.020 27.886 9.140 44 HG23 VAL 5 HG23 VAL 5 -4.692 29.592 8.826 45 H GLN 6 HN GLN 6 -1.835 29.369 12.735 46 HA GLN 6 HA GLN 6 0.576 27.944 12.443 47 HB2 GLN 6 HB2 GLN 6 -0.222 30.005 14.499 48 HB3 GLN 6 HB1 GLN 6 1.427 29.445 14.229 49 HG2 GLN 6 HG2 GLN 6 -0.317 30.735 12.115 50 HG3 GLN 6 HG1 GLN 6 0.927 31.578 13.037 51 HE21 GLN 6 HE21 GLN 6 0.475 30.297 10.058 52 HE22 GLN 6 HE22 GLN 6 2.049 29.765 9.715 53 H TYR 7 HN TYR 7 -1.687 28.128 15.155 54 HA TYR 7 HA TYR 7 -0.241 26.461 16.914 55 HB2 TYR 7 HB2 TYR 7 -2.062 27.858 17.694 56 HB3 TYR 7 HB1 TYR 7 -3.211 26.967 16.694 57 HD1 TYR 7 HD1 TYR 7 -0.852 26.633 19.583 58 HD2 TYR 7 HD2 TYR 7 -4.158 24.924 17.432 59 HE1 TYR 7 HE1 TYR 7 -1.178 24.974 21.399 60 HE2 TYR 7 HE2 TYR 7 -4.479 23.273 19.246 61 HH TYR 7 HH TYR 7 -2.883 22.220 21.086 62 H LEU 8 HN LEU 8 -2.995 25.667 14.793 63 HA LEU 8 HA LEU 8 -3.178 22.972 15.306 64 HB2 LEU 8 HB2 LEU 8 -3.555 24.486 12.722 65 HB3 LEU 8 HB1 LEU 8 -3.951 22.781 12.894 66 HG LEU 8 HG LEU 8 -5.068 24.895 14.760 67 HD11 LEU 8 HD11 LEU 8 -7.157 24.681 13.324 68 HD12 LEU 8 HD12 LEU 8 -6.151 23.875 12.122 69 HD13 LEU 8 HD13 LEU 8 -5.815 25.545 12.579 70 HD21 LEU 8 HD21 LEU 8 -6.935 23.033 14.848 71 HD22 LEU 8 HD22 LEU 8 -5.444 22.753 15.733 72 HD23 LEU 8 HD23 LEU 8 -5.694 21.981 14.174 73 H THR 9 HN THR 9 -0.844 24.627 13.215 74 HA THR 9 HA THR 9 0.289 22.324 12.040 75 HB THR 9 HB THR 9 1.589 24.985 12.654 76 HG1 THR 9 HG1 THR 9 0.954 25.455 10.549 77 HG21 THR 9 HG21 THR 9 3.071 24.300 10.719 78 HG22 THR 9 HG22 THR 9 2.378 22.685 10.849 79 HG23 THR 9 HG23 THR 9 3.298 23.362 12.191 80 H ARG 10 HN ARG 10 1.189 24.150 14.990 81 HA ARG 10 HA ARG 10 3.413 22.568 15.643 82 HB2 ARG 10 HB2 ARG 10 2.935 24.777 16.670 83 HB3 ARG 10 HB1 ARG 10 1.572 24.056 17.524 84 HG2 ARG 10 HG2 ARG 10 3.058 22.539 18.720 85 HG3 ARG 10 HG1 ARG 10 4.442 23.108 17.781 86 HD2 ARG 10 HD2 ARG 10 4.413 24.204 19.967 87 HD3 ARG 10 HD1 ARG 10 4.120 25.386 18.695 88 HE ARG 10 HE ARG 10 1.656 24.351 19.643 89 HH11 ARG 10 HH21 ARG 10 4.316 26.388 20.516 90 HH12 ARG 10 HH22 ARG 10 3.373 27.399 21.560 91 HH21 ARG 10 HH11 ARG 10 0.425 25.654 21.004 92 HH22 ARG 10 HH12 ARG 10 1.154 26.982 21.842 93 H SER 11 HN SER 11 0.012 22.333 16.557 94 HA SER 11 HA SER 11 0.349 20.050 18.218 95 HB2 SER 11 HB2 SER 11 -2.094 19.819 18.019 96 HB3 SER 11 HB1 SER 11 -1.629 21.469 18.405 97 HG SER 11 HG1 SER 11 -1.602 21.205 15.770 98 H ALA 12 HN ALA 12 0.002 20.573 14.855 99 HA ALA 12 HA ALA 12 -0.924 18.084 13.988 100 HB1 ALA 12 HB1 ALA 12 -0.102 18.597 11.838 101 HB2 ALA 12 HB2 ALA 12 1.217 19.570 12.470 102 HB3 ALA 12 HB3 ALA 12 -0.440 20.170 12.549 103 H ILE 13 HN ILE 13 2.244 19.196 14.975 104 HA ILE 13 HA ILE 13 3.487 16.664 14.313 105 HB ILE 13 HB ILE 13 4.583 19.130 14.491 106 HG12 ILE 13 HG12 ILE 13 6.072 16.568 15.156 107 HG13 ILE 13 HG11 ILE 13 5.656 17.105 13.530 108 HG21 ILE 13 HG21 ILE 13 4.274 19.067 17.062 109 HG22 ILE 13 HG22 ILE 13 5.859 19.501 16.452 110 HG23 ILE 13 HG23 ILE 13 5.570 17.878 17.065 111 HD11 ILE 13 HD3 ILE 13 7.916 17.805 13.874 112 HD12 ILE 13 HD1 ILE 13 7.549 18.425 15.486 113 HD13 ILE 13 HD2 ILE 13 6.929 19.258 14.061 114 H ARG 14 HN ARG 14 2.398 18.248 17.303 115 HA ARG 14 HA ARG 14 3.354 16.239 19.075 116 HB2 ARG 14 HB2 ARG 14 2.682 18.520 19.781 117 HB3 ARG 14 HB1 ARG 14 1.000 18.111 19.435 118 HG2 ARG 14 HG2 ARG 14 1.087 16.283 21.074 119 HG3 ARG 14 HG1 ARG 14 2.781 16.657 21.412 120 HD2 ARG 14 HD2 ARG 14 1.368 17.689 23.127 121 HD3 ARG 14 HD1 ARG 14 2.109 18.940 22.140 122 HE ARG 14 HE ARG 14 -0.420 18.226 21.063 123 HH11 ARG 14 HH21 ARG 14 1.074 19.874 23.722 124 HH12 ARG 14 HH22 ARG 14 -0.246 20.969 23.959 125 HH21 ARG 14 HH11 ARG 14 -2.149 19.657 21.372 126 HH22 ARG 14 HH12 ARG 14 -2.068 20.846 22.627 127 H ARG 15 HN ARG 15 0.238 16.802 17.591 128 HA ARG 15 HA ARG 15 -1.228 14.726 18.639 129 HB2 ARG 15 HB2 ARG 15 -1.294 16.070 15.934 130 HB3 ARG 15 HB1 ARG 15 -2.507 14.903 16.447 131 HG2 ARG 15 HG2 ARG 15 -3.164 16.276 18.318 132 HG3 ARG 15 HG1 ARG 15 -1.818 17.380 18.047 133 HD2 ARG 15 HD2 ARG 15 -3.876 18.328 17.138 134 HD3 ARG 15 HD1 ARG 15 -2.741 17.957 15.839 135 HE ARG 15 HE ARG 15 -4.471 15.741 16.291 136 HH11 ARG 15 HH21 ARG 15 -4.367 18.941 15.006 137 HH12 ARG 15 HH22 ARG 15 -5.629 18.672 13.854 138 HH21 ARG 15 HH11 ARG 15 -6.136 15.371 14.777 139 HH22 ARG 15 HH12 ARG 15 -6.629 16.655 13.725 140 H ALA 16 HN ALA 16 1.113 14.791 16.010 141 HA ALA 16 HA ALA 16 0.641 12.227 14.992 142 HB1 ALA 16 HB1 ALA 16 3.446 13.304 15.303 143 HB2 ALA 16 HB2 ALA 16 2.343 13.971 14.099 144 HB3 ALA 16 HB3 ALA 16 2.808 12.275 14.018 145 H SER 17 HN SER 17 1.915 13.389 17.849 146 HA SER 17 HA SER 17 3.058 10.844 18.754 147 HB2 SER 17 HB2 SER 17 2.689 13.141 20.652 148 HB3 SER 17 HB1 SER 17 4.038 12.029 20.485 149 HG SER 17 HG1 SER 17 4.654 13.140 18.624 150 H THR 18 HN THR 18 0.655 13.098 20.243 151 HA THR 18 HA THR 18 -0.852 10.760 21.223 152 HB THR 18 HB THR 18 0.193 12.041 22.993 153 HG1 THR 18 HG1 THR 18 -1.924 11.173 23.315 154 HG21 THR 18 HG21 THR 18 -1.474 14.387 22.069 155 HG22 THR 18 HG22 THR 18 0.217 14.178 21.635 156 HG23 THR 18 HG23 THR 18 -0.242 14.362 23.332 157 H ILE 19 HN ILE 19 -1.386 11.907 18.651 158 HA ILE 19 HA ILE 19 -3.424 13.780 18.398 159 HB ILE 19 HB ILE 19 -2.642 12.601 16.396 160 HG12 ILE 19 HG12 ILE 19 -5.534 11.820 16.764 161 HG13 ILE 19 HG11 ILE 19 -5.045 13.500 16.557 162 HG21 ILE 19 HG21 ILE 19 -3.997 10.188 17.629 163 HG22 ILE 19 HG22 ILE 19 -2.258 10.414 17.445 164 HG23 ILE 19 HG23 ILE 19 -3.282 10.247 16.019 165 HD11 ILE 19 HD3 ILE 19 -4.099 13.043 14.403 166 HD12 ILE 19 HD1 ILE 19 -5.698 12.307 14.413 167 HD13 ILE 19 HD2 ILE 19 -4.263 11.304 14.627 168 H GLU 20 HN GLU 20 -3.500 10.638 19.782 169 HA GLU 20 HA GLU 20 -6.369 10.861 20.543 170 HB2 GLU 20 HB2 GLU 20 -5.833 8.912 19.092 171 HB3 GLU 20 HB1 GLU 20 -4.604 8.411 20.234 172 HG2 GLU 20 HG2 GLU 20 -6.572 7.074 20.665 173 HG3 GLU 20 HG1 GLU 20 -6.448 8.224 21.991 174 H MET 21 HN MET 21 -6.420 11.617 22.553 175 HA MET 21 HA MET 21 -4.444 11.762 24.447 176 HB2 MET 21 HB2 MET 21 -7.407 11.762 24.568 177 HB3 MET 21 HB1 MET 21 -6.617 11.351 26.099 178 HG2 MET 21 HG2 MET 21 -5.933 13.810 24.444 179 HG3 MET 21 HG1 MET 21 -7.082 13.819 25.781 180 HE1 MET 21 HE1 MET 21 -5.076 15.877 26.274 181 HE2 MET 21 HE2 MET 21 -4.111 15.175 24.985 182 HE3 MET 21 HE3 MET 21 -3.386 15.426 26.567 183 HA PRO 22 HA PRO 22 -6.132 7.463 26.503 184 HB2 PRO 22 HB2 PRO 22 -6.436 6.337 23.754 185 HB3 PRO 22 HB1 PRO 22 -7.270 5.885 25.246 186 HG2 PRO 22 HG2 PRO 22 -8.368 7.513 23.339 187 HG3 PRO 22 HG1 PRO 22 -8.825 7.545 25.047 188 HD2 PRO 22 HD2 PRO 22 -7.473 9.636 23.554 189 HD3 PRO 22 HD1 PRO 22 -7.977 9.647 25.265 190 H GLN 23 HN GLN 23 -4.388 6.472 27.125 191 HA GLN 23 HA GLN 23 -1.908 6.630 25.667 192 HB2 GLN 23 HB2 GLN 23 -2.649 5.308 28.281 193 HB3 GLN 23 HB1 GLN 23 -1.006 5.361 27.634 194 HG2 GLN 23 HG2 GLN 23 -1.057 7.798 27.612 195 HG3 GLN 23 HG1 GLN 23 -2.724 7.789 28.195 196 HE21 GLN 23 HE21 GLN 23 -1.382 9.163 29.944 197 HE22 GLN 23 HE22 GLN 23 -0.825 8.259 31.272 198 H GLN 24 HN GLN 24 -4.454 4.348 25.851 199 HA GLN 24 HA GLN 24 -2.766 2.133 24.836 200 HB2 GLN 24 HB2 GLN 24 -5.578 2.198 25.955 201 HB3 GLN 24 HB1 GLN 24 -4.822 0.775 25.241 202 HG2 GLN 24 HG2 GLN 24 -3.019 0.856 26.904 203 HG3 GLN 24 HG1 GLN 24 -3.713 2.321 27.599 204 HE21 GLN 24 HE21 GLN 24 -3.566 -0.965 28.101 205 HE22 GLN 24 HE22 GLN 24 -5.018 -1.187 28.946 206 H ALA 25 HN ALA 25 -5.916 3.608 24.351 207 HA ALA 25 HA ALA 25 -6.455 2.517 21.820 208 HB1 ALA 25 HB1 ALA 25 -8.381 3.726 22.014 209 HB2 ALA 25 HB2 ALA 25 -7.500 5.254 21.990 210 HB3 ALA 25 HB3 ALA 25 -7.718 4.392 23.506 211 H ARG 26 HN ARG 26 -4.152 4.854 22.785 212 HA ARG 26 HA ARG 26 -3.865 6.223 20.348 213 HB2 ARG 26 HB2 ARG 26 -2.875 7.383 22.095 214 HB3 ARG 26 HB1 ARG 26 -2.309 5.915 22.874 215 HG2 ARG 26 HG2 ARG 26 -0.501 5.702 21.323 216 HG3 ARG 26 HG1 ARG 26 -1.158 6.984 20.302 217 HD2 ARG 26 HD2 ARG 26 -0.812 8.607 22.129 218 HD3 ARG 26 HD1 ARG 26 -0.162 7.332 23.146 219 HE ARG 26 HE ARG 26 1.248 7.505 20.662 220 HH11 ARG 26 HH21 ARG 26 0.850 8.975 23.773 221 HH12 ARG 26 HH22 ARG 26 2.457 9.620 23.820 222 HH21 ARG 26 HH11 ARG 26 3.347 8.340 20.725 223 HH22 ARG 26 HH12 ARG 26 3.872 9.259 22.095 224 H GLN 27 HN GLN 27 -2.120 3.385 21.735 225 HA GLN 27 HA GLN 27 -0.755 3.033 19.172 226 HB2 GLN 27 HB2 GLN 27 0.519 2.804 21.266 227 HB3 GLN 27 HB1 GLN 27 -0.541 1.485 21.764 228 HG2 GLN 27 HG2 GLN 27 0.152 0.121 19.887 229 HG3 GLN 27 HG1 GLN 27 1.081 1.463 19.204 230 HE21 GLN 27 HE21 GLN 27 2.332 -1.043 19.865 231 HE22 GLN 27 HE22 GLN 27 3.398 -0.773 21.158 232 H ASN 28 HN ASN 28 -3.291 1.458 21.115 233 HA ASN 28 HA ASN 28 -3.338 -0.956 19.661 234 HB2 ASN 28 HB2 ASN 28 -5.420 0.501 21.261 235 HB3 ASN 28 HB1 ASN 28 -5.794 -1.009 20.449 236 HD21 ASN 28 HD21 ASN 28 -3.222 -2.318 20.869 237 HD22 ASN 28 HD22 ASN 28 -3.087 -2.626 22.532 238 H LEU 29 HN LEU 29 -5.274 1.989 19.241 239 HA LEU 29 HA LEU 29 -6.601 1.069 16.888 240 HB2 LEU 29 HB2 LEU 29 -6.177 3.939 17.714 241 HB3 LEU 29 HB1 LEU 29 -7.457 3.292 16.685 242 HG LEU 29 HG LEU 29 -7.019 2.555 19.563 243 HD11 LEU 29 HD11 LEU 29 -7.761 4.810 19.587 244 HD12 LEU 29 HD12 LEU 29 -9.231 3.869 19.825 245 HD13 LEU 29 HD13 LEU 29 -8.861 4.544 18.238 246 HD21 LEU 29 HD21 LEU 29 -8.160 0.741 18.589 247 HD22 LEU 29 HD22 LEU 29 -9.055 1.777 17.479 248 HD23 LEU 29 HD23 LEU 29 -9.484 1.738 19.186 249 H GLN 30 HN GLN 30 -3.767 3.104 17.546 250 HA GLN 30 HA GLN 30 -3.362 3.657 14.750 251 HB2 GLN 30 HB2 GLN 30 -1.452 3.968 17.046 252 HB3 GLN 30 HB1 GLN 30 -1.186 4.572 15.423 253 HG2 GLN 30 HG2 GLN 30 -3.617 5.322 17.061 254 HG3 GLN 30 HG1 GLN 30 -2.134 6.286 17.019 255 HE21 GLN 30 HE21 GLN 30 -5.109 6.324 15.715 256 HE22 GLN 30 HE22 GLN 30 -4.765 6.931 14.168 257 H ASN 31 HN ASN 31 -2.313 1.099 16.894 258 HA ASN 31 HA ASN 31 -0.135 0.204 15.329 259 HB2 ASN 31 HB2 ASN 31 -0.302 -0.646 17.562 260 HB3 ASN 31 HB1 ASN 31 -1.922 -1.281 17.258 261 HD21 ASN 31 HD21 ASN 31 -0.733 -3.349 18.065 262 HD22 ASN 31 HD22 ASN 31 0.058 -4.285 16.890 263 H LEU 32 HN LEU 32 -3.554 -0.612 15.317 264 HA LEU 32 HA LEU 32 -3.396 -2.579 13.307 265 HB2 LEU 32 HB2 LEU 32 -5.681 -0.818 14.205 266 HB3 LEU 32 HB1 LEU 32 -5.863 -2.133 13.050 267 HG LEU 32 HG LEU 32 -4.706 -2.511 15.821 268 HD11 LEU 32 HD11 LEU 32 -6.978 -1.740 16.104 269 HD12 LEU 32 HD12 LEU 32 -6.970 -3.485 16.358 270 HD13 LEU 32 HD13 LEU 32 -7.559 -2.818 14.834 271 HD21 LEU 32 HD21 LEU 32 -4.076 -4.396 14.565 272 HD22 LEU 32 HD22 LEU 32 -5.518 -4.353 13.555 273 HD23 LEU 32 HD23 LEU 32 -5.622 -4.930 15.216 274 H PHE 33 HN PHE 33 -4.154 0.866 13.236 275 HA PHE 33 HA PHE 33 -4.544 1.054 10.442 276 HB2 PHE 33 HB2 PHE 33 -5.324 2.805 11.924 277 HB3 PHE 33 HB1 PHE 33 -3.684 3.135 12.467 278 HD1 PHE 33 HD1 PHE 33 -5.850 3.111 9.420 279 HD2 PHE 33 HD2 PHE 33 -2.301 4.648 11.284 280 HE1 PHE 33 HE1 PHE 33 -5.539 4.684 7.529 281 HE2 PHE 33 HE2 PHE 33 -1.986 6.221 9.398 282 HZ PHE 33 HZ PHE 33 -3.605 6.238 7.518 283 H ILE 34 HN ILE 34 -1.753 1.813 12.467 284 HA ILE 34 HA ILE 34 0.011 2.471 10.350 285 HB ILE 34 HB ILE 34 0.586 1.530 13.173 286 HG12 ILE 34 HG12 ILE 34 0.884 4.270 11.916 287 HG13 ILE 34 HG11 ILE 34 -0.598 3.756 12.717 288 HG21 ILE 34 HG21 ILE 34 2.565 1.017 11.987 289 HG22 ILE 34 HG22 ILE 34 2.864 2.624 12.647 290 HG23 ILE 34 HG23 ILE 34 2.417 2.434 10.949 291 HD11 ILE 34 HD3 ILE 34 2.149 3.830 13.991 292 HD12 ILE 34 HD1 ILE 34 0.676 3.280 14.787 293 HD13 ILE 34 HD2 ILE 34 0.843 4.969 14.305 294 H ASN 35 HN ASN 35 -0.469 -0.611 12.116 295 HA ASN 35 HA ASN 35 1.506 -1.985 10.636 296 HB2 ASN 35 HB2 ASN 35 0.716 -2.769 12.829 297 HB3 ASN 35 HB1 ASN 35 -0.866 -3.115 12.121 298 HD21 ASN 35 HD21 ASN 35 -1.018 -5.339 11.865 299 HD22 ASN 35 HD22 ASN 35 0.207 -6.328 11.233 300 H PHE 36 HN PHE 36 -2.037 -1.813 10.402 301 HA PHE 36 HA PHE 36 -2.167 -3.502 8.154 302 HB2 PHE 36 HB2 PHE 36 -4.048 -3.031 9.727 303 HB3 PHE 36 HB1 PHE 36 -4.207 -1.451 8.962 304 HD1 PHE 36 HD1 PHE 36 -4.151 -5.109 8.227 305 HD2 PHE 36 HD2 PHE 36 -5.455 -1.211 6.964 306 HE1 PHE 36 HE1 PHE 36 -5.498 -6.142 6.419 307 HE2 PHE 36 HE2 PHE 36 -6.801 -2.251 5.156 308 HZ PHE 36 HZ PHE 36 -6.824 -4.713 4.884 309 H ALA 37 HN ALA 37 -1.847 0.002 8.442 310 HA ALA 37 HA ALA 37 -2.340 0.455 5.660 311 HB1 ALA 37 HB1 ALA 37 -2.791 2.203 7.351 312 HB2 ALA 37 HB2 ALA 37 -1.661 2.746 6.107 313 HB3 ALA 37 HB3 ALA 37 -1.060 2.283 7.700 314 H LEU 38 HN LEU 38 0.489 0.016 7.703 315 HA LEU 38 HA LEU 38 2.391 0.809 5.766 316 HB2 LEU 38 HB2 LEU 38 2.577 -0.882 8.236 317 HB3 LEU 38 HB1 LEU 38 3.959 -0.776 7.157 318 HG LEU 38 HG LEU 38 2.555 1.636 8.360 319 HD11 LEU 38 HD11 LEU 38 3.600 0.146 10.070 320 HD12 LEU 38 HD12 LEU 38 4.407 1.709 9.951 321 HD13 LEU 38 HD13 LEU 38 5.134 0.283 9.213 322 HD21 LEU 38 HD21 LEU 38 4.964 1.227 6.575 323 HD22 LEU 38 HD22 LEU 38 5.026 2.528 7.755 324 HD23 LEU 38 HD23 LEU 38 3.755 2.507 6.541 325 H ILE 39 HN ILE 39 0.832 -2.312 6.363 326 HA ILE 39 HA ILE 39 2.506 -3.768 4.569 327 HB ILE 39 HB ILE 39 -0.315 -4.250 5.553 328 HG12 ILE 39 HG12 ILE 39 1.454 -4.363 7.269 329 HG13 ILE 39 HG11 ILE 39 0.769 -5.954 6.985 330 HG21 ILE 39 HG21 ILE 39 0.131 -6.629 4.743 331 HG22 ILE 39 HG22 ILE 39 1.439 -5.946 3.779 332 HG23 ILE 39 HG23 ILE 39 -0.224 -5.428 3.503 333 HD11 ILE 39 HD3 ILE 39 2.968 -6.571 6.862 334 HD12 ILE 39 HD1 ILE 39 3.514 -4.945 6.476 335 HD13 ILE 39 HD2 ILE 39 2.867 -5.983 5.208 336 H LEU 40 HN LEU 40 -0.599 -2.098 4.247 337 HA LEU 40 HA LEU 40 -0.875 -2.702 1.449 338 HB2 LEU 40 HB2 LEU 40 -2.280 -0.701 3.210 339 HB3 LEU 40 HB1 LEU 40 -2.709 -0.997 1.529 340 HG LEU 40 HG LEU 40 -2.645 -3.157 3.661 341 HD11 LEU 40 HD11 LEU 40 -4.382 -1.689 4.332 342 HD12 LEU 40 HD12 LEU 40 -5.204 -2.946 3.407 343 HD13 LEU 40 HD13 LEU 40 -4.880 -1.378 2.669 344 HD21 LEU 40 HD21 LEU 40 -2.531 -4.296 1.596 345 HD22 LEU 40 HD22 LEU 40 -3.444 -3.054 0.742 346 HD23 LEU 40 HD23 LEU 40 -4.275 -4.175 1.812 347 H ILE 41 HN ILE 41 0.016 0.281 3.187 348 HA ILE 41 HA ILE 41 0.416 1.846 0.893 349 HB ILE 41 HB ILE 41 1.526 2.051 3.695 350 HG12 ILE 41 HG12 ILE 41 -0.930 2.335 3.466 351 HG13 ILE 41 HG11 ILE 41 -0.156 3.843 3.929 352 HG21 ILE 41 HG21 ILE 41 3.095 3.217 2.409 353 HG22 ILE 41 HG22 ILE 41 1.991 4.456 3.007 354 HG23 ILE 41 HG23 ILE 41 1.860 3.886 1.340 355 HD11 ILE 41 HD3 ILE 41 -1.523 4.632 2.254 356 HD12 ILE 41 HD1 ILE 41 -1.519 3.109 1.376 357 HD13 ILE 41 HD2 ILE 41 -0.144 4.199 1.255 358 H PHE 42 HN PHE 42 2.779 -0.012 2.851 359 HA PHE 42 HA PHE 42 5.048 0.698 1.376 360 HB2 PHE 42 HB2 PHE 42 5.156 -0.502 3.520 361 HB3 PHE 42 HB1 PHE 42 4.485 -1.941 2.753 362 HD1 PHE 42 HD1 PHE 42 7.310 0.483 2.516 363 HD2 PHE 42 HD2 PHE 42 5.899 -3.479 1.647 364 HE1 PHE 42 HE1 PHE 42 9.578 -0.159 1.757 365 HE2 PHE 42 HE2 PHE 42 8.169 -4.123 0.888 366 HZ PHE 42 HZ PHE 42 10.011 -2.462 0.943 367 H LEU 43 HN LEU 43 2.818 -2.029 0.932 368 HA LEU 43 HA LEU 43 4.154 -3.119 -1.321 369 HB2 LEU 43 HB2 LEU 43 1.321 -3.389 -0.328 370 HB3 LEU 43 HB1 LEU 43 1.940 -4.285 -1.712 371 HG LEU 43 HG LEU 43 3.213 -4.346 1.045 372 HD11 LEU 43 HD11 LEU 43 2.095 -6.469 1.396 373 HD12 LEU 43 HD12 LEU 43 1.402 -6.424 -0.222 374 HD13 LEU 43 HD13 LEU 43 0.868 -5.266 0.995 375 HD21 LEU 43 HD21 LEU 43 3.733 -5.755 -1.583 376 HD22 LEU 43 HD22 LEU 43 4.052 -6.618 -0.079 377 HD23 LEU 43 HD23 LEU 43 4.880 -5.109 -0.411 378 H LEU 44 HN LEU 44 1.461 -0.805 -1.024 379 HA LEU 44 HA LEU 44 0.974 -0.643 -3.817 380 HB2 LEU 44 HB2 LEU 44 0.264 1.151 -1.502 381 HB3 LEU 44 HB1 LEU 44 -0.225 1.501 -3.153 382 HG LEU 44 HG LEU 44 -0.848 -1.137 -1.786 383 HD11 LEU 44 HD11 LEU 44 -1.937 0.541 -0.464 384 HD12 LEU 44 HD12 LEU 44 -3.165 -0.138 -1.528 385 HD13 LEU 44 HD13 LEU 44 -2.449 1.431 -1.899 386 HD21 LEU 44 HD21 LEU 44 -2.774 -0.944 -3.597 387 HD22 LEU 44 HD22 LEU 44 -1.175 -1.451 -4.107 388 HD23 LEU 44 HD23 LEU 44 -1.688 0.209 -4.367 389 H LEU 45 HN LEU 45 3.030 1.263 -1.584 390 HA LEU 45 HA LEU 45 3.658 3.284 -3.436 391 HB2 LEU 45 HB2 LEU 45 5.108 2.255 -1.018 392 HB3 LEU 45 HB1 LEU 45 5.749 3.578 -1.984 393 HG LEU 45 HG LEU 45 2.982 3.564 -0.734 394 HD11 LEU 45 HD11 LEU 45 4.883 3.545 0.921 395 HD12 LEU 45 HD12 LEU 45 3.895 5.002 0.990 396 HD13 LEU 45 HD13 LEU 45 5.466 5.040 0.189 397 HD21 LEU 45 HD21 LEU 45 3.505 6.180 -1.145 398 HD22 LEU 45 HD22 LEU 45 2.824 5.186 -2.421 399 HD23 LEU 45 HD23 LEU 45 4.551 5.532 -2.411 400 H ILE 46 HN ILE 46 5.267 0.174 -2.831 401 HA ILE 46 HA ILE 46 7.419 0.761 -4.609 402 HB ILE 46 HB ILE 46 7.695 -1.040 -3.022 403 HG12 ILE 46 HG12 ILE 46 7.493 -2.301 -5.770 404 HG13 ILE 46 HG11 ILE 46 8.774 -1.170 -5.320 405 HG21 ILE 46 HG21 ILE 46 6.402 -3.155 -3.265 406 HG22 ILE 46 HG22 ILE 46 5.369 -2.351 -4.443 407 HG23 ILE 46 HG23 ILE 46 5.420 -1.785 -2.773 408 HD11 ILE 46 HD3 ILE 46 9.339 -3.642 -5.037 409 HD12 ILE 46 HD1 ILE 46 8.175 -3.653 -3.712 410 HD13 ILE 46 HD2 ILE 46 9.599 -2.621 -3.622 411 H ALA 47 HN ALA 47 4.235 -0.677 -5.002 412 HA ALA 47 HA ALA 47 4.551 -1.492 -7.691 413 HB1 ALA 47 HB1 ALA 47 1.980 -0.616 -6.368 414 HB2 ALA 47 HB2 ALA 47 2.699 -2.209 -6.144 415 HB3 ALA 47 HB3 ALA 47 2.156 -1.705 -7.745 416 H ILE 48 HN ILE 48 3.148 1.491 -6.291 417 HA ILE 48 HA ILE 48 2.574 2.731 -8.767 418 HB ILE 48 HB ILE 48 3.042 3.872 -6.015 419 HG12 ILE 48 HG12 ILE 48 1.071 2.412 -6.217 420 HG13 ILE 48 HG11 ILE 48 0.581 4.080 -5.984 421 HG21 ILE 48 HG21 ILE 48 2.208 5.234 -8.576 422 HG22 ILE 48 HG22 ILE 48 3.468 5.707 -7.437 423 HG23 ILE 48 HG23 ILE 48 1.769 5.877 -6.993 424 HD11 ILE 48 HD3 ILE 48 0.573 3.999 -8.700 425 HD12 ILE 48 HD1 ILE 48 -0.827 3.566 -7.725 426 HD13 ILE 48 HD2 ILE 48 0.232 2.309 -8.354 427 H ILE 49 HN ILE 49 5.427 3.036 -6.626 428 HA ILE 49 HA ILE 49 6.727 5.019 -8.172 429 HB ILE 49 HB ILE 49 7.789 2.934 -6.302 430 HG12 ILE 49 HG12 ILE 49 6.346 4.660 -5.284 431 HG13 ILE 49 HG11 ILE 49 8.001 4.824 -4.727 432 HG21 ILE 49 HG21 ILE 49 9.854 4.464 -6.253 433 HG22 ILE 49 HG22 ILE 49 9.245 5.120 -7.773 434 HG23 ILE 49 HG23 ILE 49 9.658 3.410 -7.653 435 HD11 ILE 49 HD3 ILE 49 6.341 6.665 -6.337 436 HD12 ILE 49 HD1 ILE 49 8.008 6.512 -6.910 437 HD13 ILE 49 HD2 ILE 49 7.683 7.019 -5.259 438 H VAL 50 HN VAL 50 6.930 1.493 -8.220 439 HA VAL 50 HA VAL 50 8.929 1.349 -10.214 440 HB VAL 50 HB VAL 50 6.769 -0.605 -9.370 441 HG11 VAL 50 HG11 VAL 50 7.256 -1.180 -11.647 442 HG12 VAL 50 HG12 VAL 50 8.215 -2.275 -10.652 443 HG13 VAL 50 HG13 VAL 50 8.982 -0.888 -11.425 444 HG21 VAL 50 HG21 VAL 50 9.776 -0.781 -9.034 445 HG22 VAL 50 HG22 VAL 50 8.525 -1.670 -8.164 446 HG23 VAL 50 HG23 VAL 50 8.758 0.048 -7.856 447 H MET 51 HN MET 51 5.383 1.376 -10.354 448 HA MET 51 HA MET 51 5.152 1.113 -13.145 449 HB2 MET 51 HB2 MET 51 3.341 2.162 -10.984 450 HB3 MET 51 HB1 MET 51 2.858 2.206 -12.676 451 HG2 MET 51 HG2 MET 51 3.738 -0.312 -11.237 452 HG3 MET 51 HG1 MET 51 2.059 0.161 -11.460 453 HE1 MET 51 HE1 MET 51 5.253 -1.207 -12.858 454 HE2 MET 51 HE2 MET 51 4.691 -2.121 -14.250 455 HE3 MET 51 HE3 MET 51 4.063 -2.503 -12.650 456 H LEU 52 HN LEU 52 5.721 3.921 -11.029 457 HA LEU 52 HA LEU 52 5.015 5.872 -12.938 458 HB2 LEU 52 HB2 LEU 52 6.750 5.885 -10.496 459 HB3 LEU 52 HB1 LEU 52 6.779 7.286 -11.558 460 HG LEU 52 HG LEU 52 4.240 6.106 -10.371 461 HD11 LEU 52 HD11 LEU 52 5.451 6.935 -8.522 462 HD12 LEU 52 HD12 LEU 52 4.378 8.256 -8.960 463 HD13 LEU 52 HD13 LEU 52 6.077 8.310 -9.428 464 HD21 LEU 52 HD21 LEU 52 3.590 8.669 -10.965 465 HD22 LEU 52 HD22 LEU 52 3.452 7.390 -12.158 466 HD23 LEU 52 HD23 LEU 52 4.860 8.447 -12.174 467 H LEU 53 HN LEU 53 8.076 4.169 -12.426 468 HA LEU 53 HA LEU 53 9.453 5.712 -14.406 469 HB2 LEU 53 HB2 LEU 53 10.207 3.028 -13.241 470 HB3 LEU 53 HB1 LEU 53 11.277 4.160 -14.067 471 HG LEU 53 HG LEU 53 9.800 4.730 -11.480 472 HD11 LEU 53 HD11 LEU 53 11.901 4.446 -10.364 473 HD12 LEU 53 HD12 LEU 53 12.775 4.338 -11.896 474 HD13 LEU 53 HD13 LEU 53 11.693 3.037 -11.399 475 HD21 LEU 53 HD21 LEU 53 11.631 6.357 -13.262 476 HD22 LEU 53 HD22 LEU 53 11.598 6.670 -11.526 477 HD23 LEU 53 HD23 LEU 53 10.126 6.839 -12.475 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -7.956 31.870 9.627 2 H2 ALA 1 HT2 ALA 1 -8.179 31.948 7.944 3 H3 ALA 1 HT3 ALA 1 -9.081 30.850 8.877 4 HA ALA 1 HA ALA 1 -9.248 33.792 9.212 5 HB1 ALA 1 HB1 ALA 1 -10.957 31.908 7.559 6 HB2 ALA 1 HB2 ALA 1 -10.004 33.268 6.965 7 HB3 ALA 1 HB3 ALA 1 -11.422 33.559 7.972 8 H MET 2 HN MET 2 -9.618 30.712 10.434 9 HA MET 2 HA MET 2 -11.714 31.588 12.363 10 HB2 MET 2 HB2 MET 2 -11.319 28.860 11.103 11 HB3 MET 2 HB1 MET 2 -12.387 29.177 12.471 12 HG2 MET 2 HG2 MET 2 -13.702 30.743 11.140 13 HG3 MET 2 HG1 MET 2 -12.593 30.564 9.781 14 HE1 MET 2 HE1 MET 2 -15.634 27.647 11.481 15 HE2 MET 2 HE2 MET 2 -14.865 29.034 12.243 16 HE3 MET 2 HE3 MET 2 -14.006 27.500 12.171 17 H GLU 3 HN GLU 3 -11.429 30.919 14.495 18 HA GLU 3 HA GLU 3 -8.741 30.672 15.376 19 HB2 GLU 3 HB2 GLU 3 -9.710 30.426 17.609 20 HB3 GLU 3 HB1 GLU 3 -10.493 31.740 16.734 21 HG2 GLU 3 HG2 GLU 3 -12.330 30.182 16.103 22 HG3 GLU 3 HG1 GLU 3 -11.569 28.927 17.080 23 H LYS 4 HN LYS 4 -11.344 28.360 14.874 24 HA LYS 4 HA LYS 4 -10.170 26.144 16.158 25 HB2 LYS 4 HB2 LYS 4 -12.145 26.311 13.881 26 HB3 LYS 4 HB1 LYS 4 -11.693 24.801 14.673 27 HG2 LYS 4 HG2 LYS 4 -12.452 25.695 16.841 28 HG3 LYS 4 HG1 LYS 4 -12.899 27.213 16.059 29 HD2 LYS 4 HD2 LYS 4 -14.508 26.018 14.630 30 HD3 LYS 4 HD1 LYS 4 -14.065 24.493 15.401 31 HE2 LYS 4 HE2 LYS 4 -14.824 25.359 17.577 32 HE3 LYS 4 HE1 LYS 4 -15.257 26.892 16.822 33 HZ1 LYS 4 HZ1 LYS 4 -16.983 25.928 15.654 34 HZ2 LYS 4 HZ2 LYS 4 -17.065 25.116 17.145 35 HZ3 LYS 4 HZ3 LYS 4 -16.360 24.360 15.796 36 H VAL 5 HN VAL 5 -9.960 27.337 12.853 37 HA VAL 5 HA VAL 5 -8.478 25.192 11.787 38 HB VAL 5 HB VAL 5 -8.610 28.097 10.969 39 HG11 VAL 5 HG11 VAL 5 -6.575 27.254 10.045 40 HG12 VAL 5 HG12 VAL 5 -7.768 27.140 8.751 41 HG13 VAL 5 HG13 VAL 5 -7.312 25.698 9.660 42 HG21 VAL 5 HG21 VAL 5 -10.696 26.607 10.892 43 HG22 VAL 5 HG22 VAL 5 -9.853 25.668 9.659 44 HG23 VAL 5 HG23 VAL 5 -10.229 27.366 9.370 45 H GLN 6 HN GLN 6 -7.472 28.270 13.196 46 HA GLN 6 HA GLN 6 -4.693 27.889 12.862 47 HB2 GLN 6 HB2 GLN 6 -6.207 29.537 14.894 48 HB3 GLN 6 HB1 GLN 6 -4.469 29.642 14.614 49 HG2 GLN 6 HG2 GLN 6 -6.569 30.114 12.478 50 HG3 GLN 6 HG1 GLN 6 -5.765 31.394 13.386 51 HE21 GLN 6 HE21 GLN 6 -5.620 29.985 10.443 52 HE22 GLN 6 HE22 GLN 6 -3.954 30.092 10.138 53 H TYR 7 HN TYR 7 -6.828 27.298 15.619 54 HA TYR 7 HA TYR 7 -4.853 26.291 17.360 55 HB2 TYR 7 HB2 TYR 7 -7.020 26.963 18.205 56 HB3 TYR 7 HB1 TYR 7 -7.826 25.751 17.211 57 HD1 TYR 7 HD1 TYR 7 -5.420 26.195 20.023 58 HD2 TYR 7 HD2 TYR 7 -8.035 23.497 17.942 59 HE1 TYR 7 HE1 TYR 7 -5.123 24.514 21.825 60 HE2 TYR 7 HE2 TYR 7 -7.739 21.817 19.743 61 HH TYR 7 HH TYR 7 -5.331 21.842 21.901 62 H LEU 8 HN LEU 8 -7.168 24.614 15.241 63 HA LEU 8 HA LEU 8 -6.446 21.999 15.735 64 HB2 LEU 8 HB2 LEU 8 -7.406 23.386 13.242 65 HB3 LEU 8 HB1 LEU 8 -7.058 21.660 13.225 66 HG LEU 8 HG LEU 8 -8.885 22.853 15.328 67 HD11 LEU 8 HD11 LEU 8 -9.763 23.496 13.094 68 HD12 LEU 8 HD12 LEU 8 -10.797 22.304 13.883 69 HD13 LEU 8 HD13 LEU 8 -9.697 21.805 12.598 70 HD21 LEU 8 HD21 LEU 8 -9.872 20.510 15.153 71 HD22 LEU 8 HD22 LEU 8 -8.231 20.556 15.776 72 HD23 LEU 8 HD23 LEU 8 -8.524 20.090 14.103 73 H THR 9 HN THR 9 -4.828 24.365 13.626 74 HA THR 9 HA THR 9 -2.995 22.596 12.416 75 HB THR 9 HB THR 9 -2.614 25.513 13.126 76 HG1 THR 9 HG1 THR 9 -4.309 24.435 11.529 77 HG21 THR 9 HG21 THR 9 -0.466 24.605 12.657 78 HG22 THR 9 HG22 THR 9 -0.998 25.365 11.157 79 HG23 THR 9 HG23 THR 9 -1.095 23.615 11.341 80 H ARG 10 HN ARG 10 -2.670 24.589 15.382 81 HA ARG 10 HA ARG 10 -0.071 23.707 16.006 82 HB2 ARG 10 HB2 ARG 10 -1.163 25.686 17.047 83 HB3 ARG 10 HB1 ARG 10 -2.243 24.597 17.921 84 HG2 ARG 10 HG2 ARG 10 -0.356 23.555 19.052 85 HG3 ARG 10 HG1 ARG 10 0.779 24.525 18.110 86 HD2 ARG 10 HD2 ARG 10 0.497 25.548 20.297 87 HD3 ARG 10 HD1 ARG 10 -0.231 26.586 19.075 88 HE ARG 10 HE ARG 10 -2.166 24.788 20.129 89 HH11 ARG 10 HH21 ARG 10 -0.310 27.612 20.884 90 HH12 ARG 10 HH22 ARG 10 -1.474 28.242 22.001 91 HH21 ARG 10 HH11 ARG 10 -3.689 25.607 21.592 92 HH22 ARG 10 HH12 ARG 10 -3.386 27.106 22.405 93 H SER 11 HN SER 11 -3.265 22.553 16.897 94 HA SER 11 HA SER 11 -2.356 20.414 18.541 95 HB2 SER 11 HB2 SER 11 -4.606 19.757 18.636 96 HB3 SER 11 HB1 SER 11 -4.708 21.493 18.389 97 HG SER 11 HG1 SER 11 -5.894 19.795 16.949 98 H ALA 12 HN ALA 12 -2.851 20.844 15.157 99 HA ALA 12 HA ALA 12 -3.059 18.205 14.281 100 HB1 ALA 12 HB1 ALA 12 -2.310 18.908 12.132 101 HB2 ALA 12 HB2 ALA 12 -1.387 20.247 12.807 102 HB3 ALA 12 HB3 ALA 12 -3.148 20.300 12.810 103 H ILE 13 HN ILE 13 -0.279 20.098 15.258 104 HA ILE 13 HA ILE 13 1.550 17.930 14.635 105 HB ILE 13 HB ILE 13 2.009 20.592 14.800 106 HG12 ILE 13 HG12 ILE 13 4.069 18.470 15.512 107 HG13 ILE 13 HG11 ILE 13 3.582 18.921 13.877 108 HG21 ILE 13 HG21 ILE 13 3.097 21.284 16.790 109 HG22 ILE 13 HG22 ILE 13 3.210 19.635 17.407 110 HG23 ILE 13 HG23 ILE 13 1.659 20.444 17.346 111 HD11 ILE 13 HD3 ILE 13 5.081 20.588 15.902 112 HD12 ILE 13 HD1 ILE 13 4.264 21.324 14.521 113 HD13 ILE 13 HD2 ILE 13 5.565 20.162 14.261 114 H ARG 14 HN ARG 14 0.064 19.190 17.614 115 HA ARG 14 HA ARG 14 1.491 17.402 19.345 116 HB2 ARG 14 HB2 ARG 14 0.414 19.478 20.155 117 HB3 ARG 14 HB1 ARG 14 -1.167 18.775 19.818 118 HG2 ARG 14 HG2 ARG 14 -0.747 16.972 21.415 119 HG3 ARG 14 HG1 ARG 14 0.886 17.580 21.701 120 HD2 ARG 14 HD2 ARG 14 -0.569 18.351 23.500 121 HD3 ARG 14 HD1 ARG 14 -0.079 19.724 22.515 122 HE ARG 14 HE ARG 14 -2.298 19.930 21.755 123 HH11 ARG 14 HH21 ARG 14 -1.829 17.046 23.619 124 HH12 ARG 14 HH22 ARG 14 -3.522 16.731 23.806 125 HH21 ARG 14 HH11 ARG 14 -4.503 19.526 21.999 126 HH22 ARG 14 HH12 ARG 14 -5.037 18.137 22.885 127 H ARG 15 HN ARG 15 -1.694 17.319 17.906 128 HA ARG 15 HA ARG 15 -2.696 14.970 18.957 129 HB2 ARG 15 HB2 ARG 15 -3.044 16.283 16.251 130 HB3 ARG 15 HB1 ARG 15 -3.993 14.896 16.758 131 HG2 ARG 15 HG2 ARG 15 -4.889 16.088 18.642 132 HG3 ARG 15 HG1 ARG 15 -3.811 17.450 18.351 133 HD2 ARG 15 HD2 ARG 15 -6.051 17.942 17.489 134 HD3 ARG 15 HD1 ARG 15 -4.894 17.841 16.165 135 HE ARG 15 HE ARG 15 -6.124 15.305 16.627 136 HH11 ARG 15 HH21 ARG 15 -6.696 18.465 15.302 137 HH12 ARG 15 HH22 ARG 15 -7.899 17.916 14.182 138 HH21 ARG 15 HH11 ARG 15 -7.704 14.605 15.162 139 HH22 ARG 15 HH12 ARG 15 -8.470 15.741 14.103 140 H ALA 16 HN ALA 16 -0.409 15.513 16.328 141 HA ALA 16 HA ALA 16 -0.320 12.908 15.287 142 HB1 ALA 16 HB1 ALA 16 2.179 14.575 15.673 143 HB2 ALA 16 HB2 ALA 16 0.997 14.952 14.420 144 HB3 ALA 16 HB3 ALA 16 1.847 13.407 14.392 145 H SER 17 HN SER 17 0.697 14.300 18.154 146 HA SER 17 HA SER 17 2.267 11.993 19.052 147 HB2 SER 17 HB2 SER 17 1.489 14.224 20.906 148 HB3 SER 17 HB1 SER 17 2.984 13.313 20.822 149 HG SER 17 HG1 SER 17 3.713 14.766 19.491 150 H THR 18 HN THR 18 -0.477 13.801 20.542 151 HA THR 18 HA THR 18 -1.571 11.247 21.529 152 HB THR 18 HB THR 18 -0.861 12.558 23.369 153 HG1 THR 18 HG1 THR 18 -3.567 13.261 23.245 154 HG21 THR 18 HG21 THR 18 -0.665 14.711 22.182 155 HG22 THR 18 HG22 THR 18 -1.573 14.887 23.687 156 HG23 THR 18 HG23 THR 18 -2.424 14.840 22.145 157 H ILE 19 HN ILE 19 -2.300 12.208 18.969 158 HA ILE 19 HA ILE 19 -4.665 13.689 18.712 159 HB ILE 19 HB ILE 19 -3.637 12.641 16.722 160 HG12 ILE 19 HG12 ILE 19 -6.387 11.437 17.059 161 HG13 ILE 19 HG11 ILE 19 -6.145 13.168 16.801 162 HG21 ILE 19 HG21 ILE 19 -3.011 10.562 17.923 163 HG22 ILE 19 HG22 ILE 19 -3.755 10.271 16.358 164 HG23 ILE 19 HG23 ILE 19 -4.695 10.043 17.840 165 HD11 ILE 19 HD3 ILE 19 -4.931 11.096 14.963 166 HD12 ILE 19 HD1 ILE 19 -5.139 12.822 14.671 167 HD13 ILE 19 HD2 ILE 19 -6.544 11.752 14.690 168 H GLU 20 HN GLU 20 -4.092 10.579 20.004 169 HA GLU 20 HA GLU 20 -6.923 10.179 20.781 170 HB2 GLU 20 HB2 GLU 20 -6.002 8.444 19.305 171 HB3 GLU 20 HB1 GLU 20 -4.644 8.221 20.391 172 HG2 GLU 20 HG2 GLU 20 -6.186 6.461 20.831 173 HG3 GLU 20 HG1 GLU 20 -6.333 7.568 22.193 174 H MET 21 HN MET 21 -7.202 10.740 22.843 175 HA MET 21 HA MET 21 -5.119 11.230 24.677 176 HB2 MET 21 HB2 MET 21 -8.075 11.031 24.858 177 HB3 MET 21 HB1 MET 21 -7.227 10.690 26.380 178 HG2 MET 21 HG2 MET 21 -6.108 12.855 26.241 179 HG3 MET 21 HG1 MET 21 -6.829 13.168 24.664 180 HE1 MET 21 HE1 MET 21 -10.328 14.195 25.198 181 HE2 MET 21 HE2 MET 21 -9.613 12.786 24.426 182 HE3 MET 21 HE3 MET 21 -8.823 14.356 24.265 183 HA PRO 22 HA PRO 22 -6.550 6.810 26.787 184 HB2 PRO 22 HB2 PRO 22 -6.774 5.850 23.961 185 HB3 PRO 22 HB1 PRO 22 -7.494 5.152 25.430 186 HG2 PRO 22 HG2 PRO 22 -8.902 6.750 23.785 187 HG3 PRO 22 HG1 PRO 22 -9.162 6.744 25.544 188 HD2 PRO 22 HD2 PRO 22 -8.049 8.908 23.902 189 HD3 PRO 22 HD1 PRO 22 -8.487 8.922 25.629 190 H GLN 23 HN GLN 23 -4.755 5.863 27.428 191 HA GLN 23 HA GLN 23 -2.235 6.209 26.121 192 HB2 GLN 23 HB2 GLN 23 -3.057 4.552 28.501 193 HB3 GLN 23 HB1 GLN 23 -1.387 4.703 27.944 194 HG2 GLN 23 HG2 GLN 23 -1.494 7.139 28.210 195 HG3 GLN 23 HG1 GLN 23 -3.177 7.021 28.720 196 HE21 GLN 23 HE21 GLN 23 -1.871 8.211 30.637 197 HE22 GLN 23 HE22 GLN 23 -1.376 7.176 31.886 198 H GLN 24 HN GLN 24 -4.599 3.640 25.978 199 HA GLN 24 HA GLN 24 -2.682 1.814 24.667 200 HB2 GLN 24 HB2 GLN 24 -5.449 1.402 25.807 201 HB3 GLN 24 HB1 GLN 24 -4.550 0.168 24.933 202 HG2 GLN 24 HG2 GLN 24 -2.738 0.269 26.570 203 HG3 GLN 24 HG1 GLN 24 -3.563 1.570 27.432 204 HE21 GLN 24 HE21 GLN 24 -3.211 -0.335 29.174 205 HE22 GLN 24 HE22 GLN 24 -4.535 -1.385 29.347 206 H ALA 25 HN ALA 25 -5.882 3.253 24.251 207 HA ALA 25 HA ALA 25 -6.369 2.194 21.689 208 HB1 ALA 25 HB1 ALA 25 -7.830 3.868 23.368 209 HB2 ALA 25 HB2 ALA 25 -8.325 3.392 21.745 210 HB3 ALA 25 HB3 ALA 25 -7.492 4.917 21.990 211 H ARG 26 HN ARG 26 -4.098 4.481 22.719 212 HA ARG 26 HA ARG 26 -3.819 6.032 20.367 213 HB2 ARG 26 HB2 ARG 26 -2.088 5.408 22.724 214 HB3 ARG 26 HB1 ARG 26 -1.242 5.979 21.288 215 HG2 ARG 26 HG2 ARG 26 -2.477 8.015 21.264 216 HG3 ARG 26 HG1 ARG 26 -3.599 7.436 22.481 217 HD2 ARG 26 HD2 ARG 26 -1.708 7.268 24.101 218 HD3 ARG 26 HD1 ARG 26 -0.646 7.935 22.875 219 HE ARG 26 HE ARG 26 -2.760 9.741 23.217 220 HH11 ARG 26 HH21 ARG 26 -0.155 8.329 25.005 221 HH12 ARG 26 HH22 ARG 26 0.041 9.686 26.063 222 HH21 ARG 26 HH11 ARG 26 -2.498 11.532 24.628 223 HH22 ARG 26 HH12 ARG 26 -1.279 11.492 25.850 224 H GLN 27 HN GLN 27 -1.528 3.615 21.489 225 HA GLN 27 HA GLN 27 -0.578 3.048 18.879 226 HB2 GLN 27 HB2 GLN 27 0.786 1.342 19.973 227 HB3 GLN 27 HB1 GLN 27 0.855 2.874 20.841 228 HG2 GLN 27 HG2 GLN 27 -0.855 2.058 22.423 229 HG3 GLN 27 HG1 GLN 27 -0.907 0.516 21.567 230 HE21 GLN 27 HE21 GLN 27 -0.103 -0.658 23.464 231 HE22 GLN 27 HE22 GLN 27 1.515 -0.512 23.958 232 H ASN 28 HN ASN 28 -2.992 1.415 20.921 233 HA ASN 28 HA ASN 28 -2.972 -0.997 19.423 234 HB2 ASN 28 HB2 ASN 28 -5.189 0.309 20.982 235 HB3 ASN 28 HB1 ASN 28 -5.310 -1.291 20.271 236 HD21 ASN 28 HD21 ASN 28 -2.300 -1.722 20.878 237 HD22 ASN 28 HD22 ASN 28 -2.288 -2.075 22.534 238 H LEU 29 HN LEU 29 -5.161 1.788 19.092 239 HA LEU 29 HA LEU 29 -6.421 0.771 16.748 240 HB2 LEU 29 HB2 LEU 29 -6.179 3.670 17.542 241 HB3 LEU 29 HB1 LEU 29 -7.417 2.937 16.521 242 HG LEU 29 HG LEU 29 -6.926 2.281 19.413 243 HD11 LEU 29 HD11 LEU 29 -9.302 3.352 19.589 244 HD12 LEU 29 HD12 LEU 29 -8.915 4.084 18.028 245 HD13 LEU 29 HD13 LEU 29 -7.910 4.422 19.435 246 HD21 LEU 29 HD21 LEU 29 -7.869 0.335 18.519 247 HD22 LEU 29 HD22 LEU 29 -8.829 1.210 17.327 248 HD23 LEU 29 HD23 LEU 29 -9.313 1.208 19.024 249 H GLN 30 HN GLN 30 -3.734 2.963 17.363 250 HA GLN 30 HA GLN 30 -3.364 3.572 14.588 251 HB2 GLN 30 HB2 GLN 30 -1.529 3.946 16.946 252 HB3 GLN 30 HB1 GLN 30 -1.173 4.509 15.320 253 HG2 GLN 30 HG2 GLN 30 -3.689 5.291 16.816 254 HG3 GLN 30 HG1 GLN 30 -2.221 6.263 16.810 255 HE21 GLN 30 HE21 GLN 30 -5.166 6.076 15.304 256 HE22 GLN 30 HE22 GLN 30 -4.752 6.735 13.796 257 H ASN 31 HN ASN 31 -2.229 1.007 16.662 258 HA ASN 31 HA ASN 31 -0.031 0.217 15.063 259 HB2 ASN 31 HB2 ASN 31 -0.188 -0.725 17.277 260 HB3 ASN 31 HB1 ASN 31 -1.769 -1.419 16.926 261 HD21 ASN 31 HD21 ASN 31 -1.013 -3.614 17.320 262 HD22 ASN 31 HD22 ASN 31 0.051 -4.387 16.246 263 H LEU 32 HN LEU 32 -3.446 -0.657 15.027 264 HA LEU 32 HA LEU 32 -3.243 -2.568 12.958 265 HB2 LEU 32 HB2 LEU 32 -5.559 -0.882 13.894 266 HB3 LEU 32 HB1 LEU 32 -5.711 -2.158 12.694 267 HG LEU 32 HG LEU 32 -4.609 -2.597 15.486 268 HD11 LEU 32 HD11 LEU 32 -6.817 -3.522 16.048 269 HD12 LEU 32 HD12 LEU 32 -7.401 -3.132 14.428 270 HD13 LEU 32 HD13 LEU 32 -6.968 -1.839 15.542 271 HD21 LEU 32 HD21 LEU 32 -5.325 -4.400 13.158 272 HD22 LEU 32 HD22 LEU 32 -5.425 -5.024 14.803 273 HD23 LEU 32 HD23 LEU 32 -3.891 -4.433 14.182 274 H PHE 33 HN PHE 33 -4.088 0.870 12.966 275 HA PHE 33 HA PHE 33 -4.473 1.082 10.165 276 HB2 PHE 33 HB2 PHE 33 -5.301 2.798 11.708 277 HB3 PHE 33 HB1 PHE 33 -3.648 3.211 12.160 278 HD1 PHE 33 HD1 PHE 33 -6.012 3.081 9.283 279 HD2 PHE 33 HD2 PHE 33 -2.350 4.698 10.836 280 HE1 PHE 33 HE1 PHE 33 -5.873 4.622 7.349 281 HE2 PHE 33 HE2 PHE 33 -2.209 6.240 8.900 282 HZ PHE 33 HZ PHE 33 -3.970 6.204 7.156 283 H ILE 34 HN ILE 34 -1.715 1.863 12.213 284 HA ILE 34 HA ILE 34 0.039 2.620 10.119 285 HB ILE 34 HB ILE 34 0.631 1.596 12.909 286 HG12 ILE 34 HG12 ILE 34 0.865 4.389 11.762 287 HG13 ILE 34 HG11 ILE 34 -0.595 3.809 12.558 288 HG21 ILE 34 HG21 ILE 34 2.615 1.173 11.657 289 HG22 ILE 34 HG22 ILE 34 2.891 2.724 12.452 290 HG23 ILE 34 HG23 ILE 34 2.445 2.672 10.746 291 HD11 ILE 34 HD3 ILE 34 0.708 3.301 14.592 292 HD12 ILE 34 HD1 ILE 34 0.833 5.006 14.164 293 HD13 ILE 34 HD2 ILE 34 2.168 3.908 13.809 294 H ASN 35 HN ASN 35 -0.385 -0.505 11.824 295 HA ASN 35 HA ASN 35 1.598 -1.835 10.302 296 HB2 ASN 35 HB2 ASN 35 0.772 -2.606 12.547 297 HB3 ASN 35 HB1 ASN 35 -0.719 -3.120 11.751 298 HD21 ASN 35 HD21 ASN 35 -0.200 -5.411 12.247 299 HD22 ASN 35 HD22 ASN 35 0.997 -6.226 11.360 300 H PHE 36 HN PHE 36 -1.943 -1.701 10.102 301 HA PHE 36 HA PHE 36 -2.059 -3.396 7.848 302 HB2 PHE 36 HB2 PHE 36 -3.965 -3.005 9.421 303 HB3 PHE 36 HB1 PHE 36 -4.162 -1.414 8.681 304 HD1 PHE 36 HD1 PHE 36 -3.808 -5.023 7.711 305 HD2 PHE 36 HD2 PHE 36 -5.575 -1.205 6.824 306 HE1 PHE 36 HE1 PHE 36 -5.096 -6.045 5.850 307 HE2 PHE 36 HE2 PHE 36 -6.857 -2.228 4.971 308 HZ PHE 36 HZ PHE 36 -6.618 -4.645 4.482 309 H ALA 37 HN ALA 37 -1.825 0.121 8.134 310 HA ALA 37 HA ALA 37 -2.369 0.576 5.364 311 HB1 ALA 37 HB1 ALA 37 -1.676 2.862 5.814 312 HB2 ALA 37 HB2 ALA 37 -1.029 2.381 7.383 313 HB3 ALA 37 HB3 ALA 37 -2.766 2.303 7.081 314 H LEU 38 HN LEU 38 0.482 0.074 7.338 315 HA LEU 38 HA LEU 38 2.367 0.879 5.379 316 HB2 LEU 38 HB2 LEU 38 2.546 -0.839 7.833 317 HB3 LEU 38 HB1 LEU 38 3.927 -0.725 6.754 318 HG LEU 38 HG LEU 38 2.533 1.714 7.903 319 HD11 LEU 38 HD11 LEU 38 5.035 0.339 8.926 320 HD12 LEU 38 HD12 LEU 38 3.456 0.222 9.694 321 HD13 LEU 38 HD13 LEU 38 4.279 1.777 9.605 322 HD21 LEU 38 HD21 LEU 38 5.007 2.589 7.436 323 HD22 LEU 38 HD22 LEU 38 3.864 2.480 6.111 324 HD23 LEU 38 HD23 LEU 38 5.075 1.222 6.323 325 H ILE 39 HN ILE 39 0.732 -2.205 5.970 326 HA ILE 39 HA ILE 39 2.364 -3.696 4.154 327 HB ILE 39 HB ILE 39 -0.458 -4.132 5.173 328 HG12 ILE 39 HG12 ILE 39 1.322 -4.345 6.875 329 HG13 ILE 39 HG11 ILE 39 0.601 -5.911 6.534 330 HG21 ILE 39 HG21 ILE 39 1.235 -5.809 3.325 331 HG22 ILE 39 HG22 ILE 39 -0.436 -5.289 3.115 332 HG23 ILE 39 HG23 ILE 39 -0.041 -6.522 4.313 333 HD11 ILE 39 HD3 ILE 39 2.816 -6.524 6.435 334 HD12 ILE 39 HD1 ILE 39 3.350 -4.912 5.977 335 HD13 ILE 39 HD2 ILE 39 2.663 -5.987 4.764 336 H LEU 40 HN LEU 40 -0.718 -1.964 3.846 337 HA LEU 40 HA LEU 40 -1.056 -2.539 1.056 338 HB2 LEU 40 HB2 LEU 40 -2.324 -0.501 2.877 339 HB3 LEU 40 HB1 LEU 40 -2.802 -0.728 1.198 340 HG LEU 40 HG LEU 40 -2.791 -2.953 3.258 341 HD11 LEU 40 HD11 LEU 40 -5.332 -2.593 3.125 342 HD12 LEU 40 HD12 LEU 40 -4.963 -1.021 2.422 343 HD13 LEU 40 HD13 LEU 40 -4.408 -1.411 4.050 344 HD21 LEU 40 HD21 LEU 40 -2.826 -4.026 1.166 345 HD22 LEU 40 HD22 LEU 40 -3.682 -2.706 0.374 346 HD23 LEU 40 HD23 LEU 40 -4.550 -3.805 1.440 347 H ILE 41 HN ILE 41 -0.043 0.401 2.798 348 HA ILE 41 HA ILE 41 0.405 1.954 0.499 349 HB ILE 41 HB ILE 41 1.517 2.128 3.294 350 HG12 ILE 41 HG12 ILE 41 -0.916 2.499 3.087 351 HG13 ILE 41 HG11 ILE 41 -0.092 3.989 3.523 352 HG21 ILE 41 HG21 ILE 41 3.123 3.264 2.020 353 HG22 ILE 41 HG22 ILE 41 2.036 4.532 2.589 354 HG23 ILE 41 HG23 ILE 41 1.914 3.939 0.931 355 HD11 ILE 41 HD3 ILE 41 -0.099 4.273 0.818 356 HD12 ILE 41 HD1 ILE 41 -1.432 4.816 1.837 357 HD13 ILE 41 HD2 ILE 41 -1.525 3.264 1.009 358 H PHE 42 HN PHE 42 2.697 0.011 2.439 359 HA PHE 42 HA PHE 42 4.986 0.639 0.953 360 HB2 PHE 42 HB2 PHE 42 5.050 -0.574 3.096 361 HB3 PHE 42 HB1 PHE 42 4.321 -1.982 2.319 362 HD1 PHE 42 HD1 PHE 42 7.254 0.325 2.114 363 HD2 PHE 42 HD2 PHE 42 5.673 -3.561 1.181 364 HE1 PHE 42 HE1 PHE 42 9.493 -0.403 1.345 365 HE2 PHE 42 HE2 PHE 42 7.916 -4.287 0.412 366 HZ PHE 42 HZ PHE 42 9.827 -2.707 0.493 367 H LEU 43 HN LEU 43 2.652 -2.011 0.522 368 HA LEU 43 HA LEU 43 3.901 -3.150 -1.751 369 HB2 LEU 43 HB2 LEU 43 1.074 -3.306 -0.718 370 HB3 LEU 43 HB1 LEU 43 1.637 -4.222 -2.108 371 HG LEU 43 HG LEU 43 2.969 -4.352 0.616 372 HD11 LEU 43 HD11 LEU 43 0.570 -5.128 0.657 373 HD12 LEU 43 HD12 LEU 43 1.728 -6.407 1.013 374 HD13 LEU 43 HD13 LEU 43 0.982 -6.311 -0.583 375 HD21 LEU 43 HD21 LEU 43 3.274 -5.851 -2.001 376 HD22 LEU 43 HD22 LEU 43 3.647 -6.670 -0.488 377 HD23 LEU 43 HD23 LEU 43 4.526 -5.218 -0.936 378 H LEU 44 HN LEU 44 1.270 -0.765 -1.431 379 HA LEU 44 HA LEU 44 0.752 -0.598 -4.211 380 HB2 LEU 44 HB2 LEU 44 0.200 1.261 -1.908 381 HB3 LEU 44 HB1 LEU 44 -0.304 1.630 -3.554 382 HG LEU 44 HG LEU 44 -1.045 -0.952 -2.141 383 HD11 LEU 44 HD11 LEU 44 -2.580 1.658 -2.286 384 HD12 LEU 44 HD12 LEU 44 -1.942 0.889 -0.833 385 HD13 LEU 44 HD13 LEU 44 -3.256 0.127 -1.728 386 HD21 LEU 44 HD21 LEU 44 -3.014 -0.670 -3.889 387 HD22 LEU 44 HD22 LEU 44 -1.459 -1.277 -4.443 388 HD23 LEU 44 HD23 LEU 44 -1.887 0.409 -4.715 389 H LEU 45 HN LEU 45 2.935 1.180 -2.039 390 HA LEU 45 HA LEU 45 3.679 3.176 -3.867 391 HB2 LEU 45 HB2 LEU 45 5.006 2.016 -1.444 392 HB3 LEU 45 HB1 LEU 45 5.819 3.252 -2.399 393 HG LEU 45 HG LEU 45 3.036 3.566 -1.218 394 HD11 LEU 45 HD11 LEU 45 4.896 3.333 0.483 395 HD12 LEU 45 HD12 LEU 45 4.035 4.870 0.541 396 HD13 LEU 45 HD13 LEU 45 5.626 4.780 -0.215 397 HD21 LEU 45 HD21 LEU 45 3.891 6.103 -1.618 398 HD22 LEU 45 HD22 LEU 45 3.090 5.193 -2.887 399 HD23 LEU 45 HD23 LEU 45 4.846 5.317 -2.879 400 H ILE 46 HN ILE 46 5.142 -0.027 -3.324 401 HA ILE 46 HA ILE 46 7.304 0.491 -5.093 402 HB ILE 46 HB ILE 46 6.995 -1.480 -3.347 403 HG12 ILE 46 HG12 ILE 46 8.330 -2.014 -6.021 404 HG13 ILE 46 HG11 ILE 46 9.035 -1.028 -4.742 405 HG21 ILE 46 HG21 ILE 46 5.009 -2.382 -4.742 406 HG22 ILE 46 HG22 ILE 46 6.194 -3.541 -4.167 407 HG23 ILE 46 HG23 ILE 46 6.231 -3.001 -5.844 408 HD11 ILE 46 HD3 ILE 46 8.766 -3.033 -3.203 409 HD12 ILE 46 HD1 ILE 46 9.963 -3.218 -4.485 410 HD13 ILE 46 HD2 ILE 46 8.380 -3.978 -4.641 411 H ALA 47 HN ALA 47 4.079 -0.798 -5.517 412 HA ALA 47 HA ALA 47 4.341 -1.585 -8.221 413 HB1 ALA 47 HB1 ALA 47 1.892 -1.530 -8.274 414 HB2 ALA 47 HB2 ALA 47 1.874 -0.640 -6.752 415 HB3 ALA 47 HB3 ALA 47 2.471 -2.299 -6.796 416 H ILE 48 HN ILE 48 3.100 1.465 -6.801 417 HA ILE 48 HA ILE 48 2.566 2.742 -9.262 418 HB ILE 48 HB ILE 48 3.163 3.857 -6.521 419 HG12 ILE 48 HG12 ILE 48 1.102 2.510 -6.665 420 HG13 ILE 48 HG11 ILE 48 0.710 4.208 -6.439 421 HG21 ILE 48 HG21 ILE 48 2.358 5.243 -9.074 422 HG22 ILE 48 HG22 ILE 48 3.648 5.668 -7.950 423 HG23 ILE 48 HG23 ILE 48 1.962 5.925 -7.495 424 HD11 ILE 48 HD3 ILE 48 0.278 2.447 -8.814 425 HD12 ILE 48 HD1 ILE 48 0.618 4.146 -9.130 426 HD13 ILE 48 HD2 ILE 48 -0.767 3.695 -8.144 427 H ILE 49 HN ILE 49 5.468 2.836 -7.209 428 HA ILE 49 HA ILE 49 6.867 4.737 -8.765 429 HB ILE 49 HB ILE 49 7.854 2.566 -6.950 430 HG12 ILE 49 HG12 ILE 49 6.567 4.351 -5.831 431 HG13 ILE 49 HG11 ILE 49 8.257 4.432 -5.364 432 HG21 ILE 49 HG21 ILE 49 10.003 3.977 -6.929 433 HG22 ILE 49 HG22 ILE 49 9.387 4.708 -8.411 434 HG23 ILE 49 HG23 ILE 49 9.714 2.976 -8.354 435 HD11 ILE 49 HD3 ILE 49 6.640 6.312 -7.030 436 HD12 ILE 49 HD1 ILE 49 8.348 6.152 -7.431 437 HD13 ILE 49 HD2 ILE 49 7.868 6.665 -5.819 438 H VAL 50 HN VAL 50 6.795 1.216 -8.886 439 HA VAL 50 HA VAL 50 8.757 0.891 -10.871 440 HB VAL 50 HB VAL 50 6.354 -0.773 -10.087 441 HG11 VAL 50 HG11 VAL 50 6.712 -1.351 -12.385 442 HG12 VAL 50 HG12 VAL 50 7.516 -2.601 -11.436 443 HG13 VAL 50 HG13 VAL 50 8.465 -1.320 -12.190 444 HG21 VAL 50 HG21 VAL 50 9.293 -1.443 -9.809 445 HG22 VAL 50 HG22 VAL 50 7.926 -2.106 -8.914 446 HG23 VAL 50 HG23 VAL 50 8.467 -0.458 -8.601 447 H MET 51 HN MET 51 5.269 1.469 -11.042 448 HA MET 51 HA MET 51 4.987 1.257 -13.826 449 HB2 MET 51 HB2 MET 51 3.408 2.877 -11.830 450 HB3 MET 51 HB1 MET 51 2.911 2.546 -13.483 451 HG2 MET 51 HG2 MET 51 2.364 0.941 -11.182 452 HG3 MET 51 HG1 MET 51 1.984 0.542 -12.843 453 HE1 MET 51 HE1 MET 51 3.391 -2.050 -13.868 454 HE2 MET 51 HE2 MET 51 4.921 -1.233 -14.167 455 HE3 MET 51 HE3 MET 51 3.421 -0.361 -14.406 456 H LEU 52 HN LEU 52 6.104 3.907 -11.742 457 HA LEU 52 HA LEU 52 5.747 5.978 -13.633 458 HB2 LEU 52 HB2 LEU 52 7.744 5.677 -11.406 459 HB3 LEU 52 HB1 LEU 52 7.639 7.130 -12.388 460 HG LEU 52 HG LEU 52 5.329 5.965 -10.800 461 HD11 LEU 52 HD11 LEU 52 6.892 8.470 -10.151 462 HD12 LEU 52 HD12 LEU 52 7.331 6.906 -9.473 463 HD13 LEU 52 HD13 LEU 52 5.752 7.604 -9.126 464 HD21 LEU 52 HD21 LEU 52 4.597 8.518 -11.215 465 HD22 LEU 52 HD22 LEU 52 4.275 7.284 -12.422 466 HD23 LEU 52 HD23 LEU 52 5.662 8.356 -12.614 467 H LEU 53 HN LEU 53 8.412 3.699 -13.203 468 HA LEU 53 HA LEU 53 9.400 4.422 -15.874 469 HB2 LEU 53 HB2 LEU 53 11.099 4.191 -13.381 470 HB3 LEU 53 HB1 LEU 53 11.733 4.306 -15.018 471 HG LEU 53 HG LEU 53 9.942 6.401 -13.745 472 HD11 LEU 53 HD11 LEU 53 12.046 7.729 -13.540 473 HD12 LEU 53 HD12 LEU 53 12.960 6.300 -14.025 474 HD13 LEU 53 HD13 LEU 53 12.039 6.290 -12.522 475 HD21 LEU 53 HD21 LEU 53 9.780 6.713 -16.082 476 HD22 LEU 53 HD22 LEU 53 11.431 6.172 -16.374 477 HD23 LEU 53 HD23 LEU 53 11.135 7.763 -15.675 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -33.391 6.172 9.133 2 H2 ALA 1 HT2 ALA 1 -33.282 6.146 7.435 3 H3 ALA 1 HT3 ALA 1 -32.458 4.988 8.365 4 HA ALA 1 HA ALA 1 -35.408 5.254 8.175 5 HB1 ALA 1 HB1 ALA 1 -33.476 3.211 7.026 6 HB2 ALA 1 HB2 ALA 1 -34.400 4.395 6.103 7 HB3 ALA 1 HB3 ALA 1 -35.236 3.094 6.953 8 H MET 2 HN MET 2 -32.580 4.009 9.745 9 HA MET 2 HA MET 2 -34.253 2.443 11.637 10 HB2 MET 2 HB2 MET 2 -31.454 1.898 10.647 11 HB3 MET 2 HB1 MET 2 -32.214 1.032 11.985 12 HG2 MET 2 HG2 MET 2 -34.069 0.364 10.467 13 HG3 MET 2 HG1 MET 2 -33.240 1.160 9.131 14 HE1 MET 2 HE1 MET 2 -31.255 0.573 8.059 15 HE2 MET 2 HE2 MET 2 -30.279 -0.873 8.252 16 HE3 MET 2 HE3 MET 2 -30.113 0.436 9.405 17 H GLU 3 HN GLU 3 -33.644 2.504 13.825 18 HA GLU 3 HA GLU 3 -32.739 5.013 14.761 19 HB2 GLU 3 HB2 GLU 3 -33.113 2.398 16.223 20 HB3 GLU 3 HB1 GLU 3 -32.791 3.943 17.010 21 HG2 GLU 3 HG2 GLU 3 -35.124 3.478 15.147 22 HG3 GLU 3 HG1 GLU 3 -35.227 3.325 16.897 23 H LYS 4 HN LYS 4 -31.161 1.896 14.370 24 HA LYS 4 HA LYS 4 -28.816 2.446 15.813 25 HB2 LYS 4 HB2 LYS 4 -29.303 0.650 13.430 26 HB3 LYS 4 HB1 LYS 4 -27.790 0.682 14.342 27 HG2 LYS 4 HG2 LYS 4 -28.940 0.036 16.383 28 HG3 LYS 4 HG1 LYS 4 -30.500 0.135 15.573 29 HD2 LYS 4 HD2 LYS 4 -29.994 -2.174 15.551 30 HD3 LYS 4 HD1 LYS 4 -29.580 -1.623 13.930 31 HE2 LYS 4 HE2 LYS 4 -27.238 -1.587 14.436 32 HE3 LYS 4 HE1 LYS 4 -27.536 -1.801 16.163 33 HZ1 LYS 4 HZ1 LYS 4 -27.738 -3.992 15.912 34 HZ2 LYS 4 HZ2 LYS 4 -27.049 -3.785 14.371 35 HZ3 LYS 4 HZ3 LYS 4 -28.738 -3.845 14.557 36 H VAL 5 HN VAL 5 -29.765 3.081 12.518 37 HA VAL 5 HA VAL 5 -27.275 4.021 11.561 38 HB VAL 5 HB VAL 5 -30.081 4.603 10.629 39 HG11 VAL 5 HG11 VAL 5 -28.849 5.216 8.471 40 HG12 VAL 5 HG12 VAL 5 -27.389 5.323 9.460 41 HG13 VAL 5 HG13 VAL 5 -28.757 6.389 9.782 42 HG21 VAL 5 HG21 VAL 5 -27.968 2.823 9.390 43 HG22 VAL 5 HG22 VAL 5 -29.690 2.884 9.009 44 HG23 VAL 5 HG23 VAL 5 -29.150 2.223 10.556 45 H GLN 6 HN GLN 6 -30.058 5.654 12.974 46 HA GLN 6 HA GLN 6 -29.087 8.285 12.705 47 HB2 GLN 6 HB2 GLN 6 -31.018 7.135 14.714 48 HB3 GLN 6 HB1 GLN 6 -30.760 8.855 14.427 49 HG2 GLN 6 HG2 GLN 6 -31.639 6.888 12.299 50 HG3 GLN 6 HG1 GLN 6 -32.735 7.935 13.193 51 HE21 GLN 6 HE21 GLN 6 -31.370 7.779 10.249 52 HE22 GLN 6 HE22 GLN 6 -31.117 9.426 9.932 53 H TYR 7 HN TYR 7 -28.966 6.037 15.460 54 HA TYR 7 HA TYR 7 -27.608 7.763 17.217 55 HB2 TYR 7 HB2 TYR 7 -28.669 5.724 18.028 56 HB3 TYR 7 HB1 TYR 7 -27.579 4.736 17.056 57 HD1 TYR 7 HD2 TYR 7 -27.684 7.199 19.869 58 HD2 TYR 7 HD1 TYR 7 -25.419 4.157 17.846 59 HE1 TYR 7 HE2 TYR 7 -26.015 7.227 21.692 60 HE2 TYR 7 HE1 TYR 7 -23.749 4.189 19.675 61 HH TYR 7 HH TYR 7 -22.974 5.633 21.421 62 H LEU 8 HN LEU 8 -26.330 5.197 15.121 63 HA LEU 8 HA LEU 8 -23.633 5.424 15.624 64 HB2 LEU 8 HB2 LEU 8 -25.130 4.864 13.077 65 HB3 LEU 8 HB1 LEU 8 -23.371 4.825 13.124 66 HG LEU 8 HG LEU 8 -25.095 3.223 15.036 67 HD11 LEU 8 HD11 LEU 8 -24.666 1.291 13.512 68 HD12 LEU 8 HD12 LEU 8 -23.936 2.402 12.355 69 HD13 LEU 8 HD13 LEU 8 -25.648 2.545 12.754 70 HD21 LEU 8 HD21 LEU 8 -22.151 3.295 14.312 71 HD22 LEU 8 HD22 LEU 8 -22.857 1.801 14.911 72 HD23 LEU 8 HD23 LEU 8 -22.894 3.249 15.911 73 H THR 9 HN THR 9 -25.638 7.500 13.561 74 HA THR 9 HA THR 9 -23.537 9.007 12.438 75 HB THR 9 HB THR 9 -26.379 9.856 13.021 76 HG1 THR 9 HG1 THR 9 -25.218 8.980 10.604 77 HG21 THR 9 HG21 THR 9 -25.069 11.813 12.664 78 HG22 THR 9 HG22 THR 9 -25.890 11.483 11.141 79 HG23 THR 9 HG23 THR 9 -24.183 11.069 11.331 80 H ARG 10 HN ARG 10 -25.501 9.526 15.417 81 HA ARG 10 HA ARG 10 -24.330 11.984 16.123 82 HB2 ARG 10 HB2 ARG 10 -25.635 9.806 17.758 83 HB3 ARG 10 HB1 ARG 10 -25.100 11.336 18.452 84 HG2 ARG 10 HG2 ARG 10 -26.549 12.588 16.960 85 HG3 ARG 10 HG1 ARG 10 -27.019 11.113 16.116 86 HD2 ARG 10 HD2 ARG 10 -28.765 11.715 17.705 87 HD3 ARG 10 HD1 ARG 10 -27.977 10.237 18.241 88 HE ARG 10 HE ARG 10 -27.066 11.424 20.053 89 HH11 ARG 10 HH21 ARG 10 -28.642 13.513 17.784 90 HH12 ARG 10 HH22 ARG 10 -28.616 14.891 18.829 91 HH21 ARG 10 HH11 ARG 10 -27.035 13.238 21.423 92 HH22 ARG 10 HH12 ARG 10 -27.708 14.740 20.882 93 H SER 11 HN SER 11 -23.541 8.660 16.993 94 HA SER 11 HA SER 11 -21.330 9.314 18.659 95 HB2 SER 11 HB2 SER 11 -20.727 6.941 18.408 96 HB3 SER 11 HB1 SER 11 -22.436 7.139 18.785 97 HG SER 11 HG1 SER 11 -21.211 6.121 16.559 98 H ALA 12 HN ALA 12 -21.787 8.995 15.284 99 HA ALA 12 HA ALA 12 -19.157 8.515 14.439 100 HB1 ALA 12 HB1 ALA 12 -20.963 10.375 12.904 101 HB2 ALA 12 HB2 ALA 12 -21.285 8.647 12.971 102 HB3 ALA 12 HB3 ALA 12 -19.776 9.231 12.287 103 H ILE 13 HN ILE 13 -20.819 11.402 15.455 104 HA ILE 13 HA ILE 13 -18.549 13.101 14.844 105 HB ILE 13 HB ILE 13 -21.205 13.666 15.037 106 HG12 ILE 13 HG12 ILE 13 -20.355 16.164 15.332 107 HG13 ILE 13 HG11 ILE 13 -18.759 15.435 15.296 108 HG21 ILE 13 HG21 ILE 13 -21.756 14.891 17.012 109 HG22 ILE 13 HG22 ILE 13 -20.084 14.892 17.569 110 HG23 ILE 13 HG23 ILE 13 -21.014 13.400 17.593 111 HD11 ILE 13 HD3 ILE 13 -20.840 15.541 13.133 112 HD12 ILE 13 HD1 ILE 13 -19.661 14.232 13.133 113 HD13 ILE 13 HD2 ILE 13 -19.123 15.903 13.039 114 H ARG 14 HN ARG 14 -19.897 11.681 17.811 115 HA ARG 14 HA ARG 14 -18.073 12.999 19.574 116 HB2 ARG 14 HB2 ARG 14 -20.209 11.993 20.325 117 HB3 ARG 14 HB1 ARG 14 -19.553 10.400 19.975 118 HG2 ARG 14 HG2 ARG 14 -17.782 10.714 21.616 119 HG3 ARG 14 HG1 ARG 14 -18.317 12.369 21.917 120 HD2 ARG 14 HD2 ARG 14 -19.206 10.900 23.658 121 HD3 ARG 14 HD1 ARG 14 -20.520 11.503 22.662 122 HE ARG 14 HE ARG 14 -19.572 9.019 21.644 123 HH11 ARG 14 HH21 ARG 14 -21.364 10.446 24.229 124 HH12 ARG 14 HH22 ARG 14 -22.333 9.040 24.524 125 HH21 ARG 14 HH11 ARG 14 -20.838 7.163 22.021 126 HH22 ARG 14 HH12 ARG 14 -22.032 7.184 23.275 127 H ARG 15 HN ARG 15 -18.162 9.810 18.135 128 HA ARG 15 HA ARG 15 -15.895 8.672 19.225 129 HB2 ARG 15 HB2 ARG 15 -17.155 8.374 16.497 130 HB3 ARG 15 HB1 ARG 15 -15.844 7.357 17.050 131 HG2 ARG 15 HG2 ARG 15 -17.147 6.514 18.896 132 HG3 ARG 15 HG1 ARG 15 -18.428 7.676 18.581 133 HD2 ARG 15 HD2 ARG 15 -19.046 5.484 17.666 134 HD3 ARG 15 HD1 ARG 15 -18.825 6.663 16.370 135 HE ARG 15 HE ARG 15 -16.919 5.474 15.675 136 HH11 ARG 15 HH21 ARG 15 -18.117 4.310 18.700 137 HH12 ARG 15 HH22 ARG 15 -17.126 2.891 18.704 138 HH21 ARG 15 HH11 ARG 15 -15.616 3.619 15.672 139 HH22 ARG 15 HH12 ARG 15 -15.711 2.499 16.988 140 H ALA 16 HN ALA 16 -16.276 10.942 16.584 141 HA ALA 16 HA ALA 16 -13.672 10.849 15.549 142 HB1 ALA 16 HB1 ALA 16 -15.629 12.209 14.617 143 HB2 ALA 16 HB2 ALA 16 -14.067 13.024 14.619 144 HB3 ALA 16 HB3 ALA 16 -15.256 13.398 15.868 145 H SER 17 HN SER 17 -15.018 11.970 18.387 146 HA SER 17 HA SER 17 -12.661 13.449 19.279 147 HB2 SER 17 HB2 SER 17 -14.009 14.322 20.947 148 HB3 SER 17 HB1 SER 17 -15.269 13.875 19.797 149 HG SER 17 HG1 SER 17 -14.659 12.858 22.267 150 H THR 18 HN THR 18 -14.633 10.808 20.826 151 HA THR 18 HA THR 18 -12.124 9.609 21.803 152 HB THR 18 HB THR 18 -13.412 10.522 23.611 153 HG1 THR 18 HG1 THR 18 -12.471 8.348 23.726 154 HG21 THR 18 HG21 THR 18 -15.718 9.766 24.027 155 HG22 THR 18 HG22 THR 18 -15.681 8.861 22.517 156 HG23 THR 18 HG23 THR 18 -15.586 10.616 22.490 157 H ILE 19 HN ILE 19 -13.056 8.871 19.331 158 HA ILE 19 HA ILE 19 -14.739 6.683 18.983 159 HB ILE 19 HB ILE 19 -13.528 7.455 17.069 160 HG12 ILE 19 HG12 ILE 19 -13.884 4.787 17.500 161 HG13 ILE 19 HG11 ILE 19 -13.197 5.411 16.024 162 HG21 ILE 19 HG21 ILE 19 -11.008 7.060 16.956 163 HG22 ILE 19 HG22 ILE 19 -11.096 6.755 18.696 164 HG23 ILE 19 HG23 ILE 19 -11.572 8.325 18.046 165 HD11 ILE 19 HD3 ILE 19 -11.998 3.452 17.273 166 HD12 ILE 19 HD1 ILE 19 -11.369 4.720 18.332 167 HD13 ILE 19 HD2 ILE 19 -11.026 4.761 16.605 168 H GLU 20 HN GLU 20 -11.901 6.868 20.863 169 HA GLU 20 HA GLU 20 -11.228 4.122 21.161 170 HB2 GLU 20 HB2 GLU 20 -9.723 5.999 21.806 171 HB3 GLU 20 HB1 GLU 20 -10.839 6.422 23.107 172 HG2 GLU 20 HG2 GLU 20 -10.426 3.819 23.766 173 HG3 GLU 20 HG1 GLU 20 -8.925 4.106 22.917 174 H MET 21 HN MET 21 -12.450 2.596 22.042 175 HA MET 21 HA MET 21 -14.628 3.302 23.903 176 HB2 MET 21 HB2 MET 21 -14.032 0.982 22.131 177 HB3 MET 21 HB1 MET 21 -14.888 0.612 23.629 178 HG2 MET 21 HG2 MET 21 -16.475 1.037 21.826 179 HG3 MET 21 HG1 MET 21 -16.602 2.305 23.031 180 HE1 MET 21 HE1 MET 21 -15.187 2.537 18.724 181 HE2 MET 21 HE2 MET 21 -16.220 1.338 19.499 182 HE3 MET 21 HE3 MET 21 -14.490 1.345 19.841 183 HA PRO 22 HA PRO 22 -12.381 0.287 26.855 184 HB2 PRO 22 HB2 PRO 22 -10.057 -0.941 26.067 185 HB3 PRO 22 HB1 PRO 22 -11.662 -1.641 25.767 186 HG2 PRO 22 HG2 PRO 22 -9.953 -0.036 23.912 187 HG3 PRO 22 HG1 PRO 22 -10.833 -1.546 23.598 188 HD2 PRO 22 HD2 PRO 22 -11.850 0.790 22.820 189 HD3 PRO 22 HD1 PRO 22 -12.886 -0.491 23.473 190 H GLN 23 HN GLN 23 -9.257 0.743 25.347 191 HA GLN 23 HA GLN 23 -8.726 3.304 26.618 192 HB2 GLN 23 HB2 GLN 23 -7.339 0.775 27.555 193 HB3 GLN 23 HB1 GLN 23 -6.723 2.398 27.849 194 HG2 GLN 23 HG2 GLN 23 -8.914 2.955 28.960 195 HG3 GLN 23 HG1 GLN 23 -9.355 1.259 28.809 196 HE21 GLN 23 HE21 GLN 23 -7.915 3.470 30.918 197 HE22 GLN 23 HE22 GLN 23 -7.069 2.358 31.882 198 H GLN 24 HN GLN 24 -6.439 0.674 25.803 199 HA GLN 24 HA GLN 24 -4.739 2.321 24.293 200 HB2 GLN 24 HB2 GLN 24 -5.027 -0.690 24.395 201 HB3 GLN 24 HB1 GLN 24 -3.714 0.163 23.571 202 HG2 GLN 24 HG2 GLN 24 -3.035 1.226 25.675 203 HG3 GLN 24 HG1 GLN 24 -4.369 0.443 26.518 204 HE21 GLN 24 HE21 GLN 24 -3.398 -1.138 27.812 205 HE22 GLN 24 HE22 GLN 24 -2.281 -2.279 27.247 206 H ALA 25 HN ALA 25 -7.737 1.404 23.578 207 HA ALA 25 HA ALA 25 -7.723 0.434 20.985 208 HB1 ALA 25 HB1 ALA 25 -9.664 1.911 22.645 209 HB2 ALA 25 HB2 ALA 25 -9.944 0.571 21.531 210 HB3 ALA 25 HB3 ALA 25 -9.869 2.222 20.916 211 H ARG 26 HN ARG 26 -6.716 3.520 22.147 212 HA ARG 26 HA ARG 26 -6.973 4.983 19.738 213 HB2 ARG 26 HB2 ARG 26 -5.078 5.252 22.074 214 HB3 ARG 26 HB1 ARG 26 -5.018 6.351 20.697 215 HG2 ARG 26 HG2 ARG 26 -7.360 6.991 21.065 216 HG3 ARG 26 HG1 ARG 26 -7.463 5.840 22.390 217 HD2 ARG 26 HD2 ARG 26 -5.513 8.141 22.328 218 HD3 ARG 26 HD1 ARG 26 -7.069 8.195 23.153 219 HE ARG 26 HE ARG 26 -5.740 5.905 24.059 220 HH11 ARG 26 HH21 ARG 26 -5.345 9.342 24.056 221 HH12 ARG 26 HH22 ARG 26 -4.473 9.382 25.553 222 HH21 ARG 26 HH11 ARG 26 -4.612 5.942 26.001 223 HH22 ARG 26 HH12 ARG 26 -4.054 7.443 26.656 224 H GLN 27 HN GLN 27 -4.192 3.123 21.070 225 HA GLN 27 HA GLN 27 -2.771 3.385 18.540 226 HB2 GLN 27 HB2 GLN 27 -2.012 2.048 21.143 227 HB3 GLN 27 HB1 GLN 27 -0.959 2.268 19.743 228 HG2 GLN 27 HG2 GLN 27 -2.307 4.539 21.225 229 HG3 GLN 27 HG1 GLN 27 -0.652 4.016 21.510 230 HE21 GLN 27 HE21 GLN 27 -2.113 6.490 20.078 231 HE22 GLN 27 HE22 GLN 27 -1.149 6.694 18.699 232 H ASN 28 HN ASN 28 -4.434 0.843 20.426 233 HA ASN 28 HA ASN 28 -3.400 -1.315 18.900 234 HB2 ASN 28 HB2 ASN 28 -5.994 -1.026 20.410 235 HB3 ASN 28 HB1 ASN 28 -5.494 -2.525 19.635 236 HD21 ASN 28 HD21 ASN 28 -5.826 -2.270 22.487 237 HD22 ASN 28 HD22 ASN 28 -4.297 -2.468 23.202 238 H LEU 29 HN LEU 29 -6.407 0.513 18.496 239 HA LEU 29 HA LEU 29 -7.204 -0.828 16.105 240 HB2 LEU 29 HB2 LEU 29 -8.023 1.960 16.945 241 HB3 LEU 29 HB1 LEU 29 -8.898 0.861 15.883 242 HG LEU 29 HG LEU 29 -8.252 0.308 18.756 243 HD11 LEU 29 HD11 LEU 29 -10.888 1.166 17.507 244 HD12 LEU 29 HD12 LEU 29 -9.848 2.203 18.494 245 HD13 LEU 29 HD13 LEU 29 -10.620 0.788 19.208 246 HD21 LEU 29 HD21 LEU 29 -9.785 -1.177 16.612 247 HD22 LEU 29 HD22 LEU 29 -10.191 -1.407 18.316 248 HD23 LEU 29 HD23 LEU 29 -8.572 -1.794 17.734 249 H GLN 30 HN GLN 30 -5.435 2.176 16.831 250 HA GLN 30 HA GLN 30 -5.273 2.891 14.053 251 HB2 GLN 30 HB2 GLN 30 -3.711 3.849 16.450 252 HB3 GLN 30 HB1 GLN 30 -3.482 4.485 14.832 253 HG2 GLN 30 HG2 GLN 30 -5.781 5.199 14.697 254 HG3 GLN 30 HG1 GLN 30 -6.156 4.430 16.234 255 HE21 GLN 30 HE21 GLN 30 -6.300 7.359 15.447 256 HE22 GLN 30 HE22 GLN 30 -5.335 8.161 16.590 257 H ASN 31 HN ASN 31 -3.362 0.873 16.174 258 HA ASN 31 HA ASN 31 -0.998 0.831 14.632 259 HB2 ASN 31 HB2 ASN 31 -2.199 -1.060 16.642 260 HB3 ASN 31 HB1 ASN 31 -0.752 -1.537 15.749 261 HD21 ASN 31 HD21 ASN 31 0.447 1.158 15.633 262 HD22 ASN 31 HD22 ASN 31 0.920 1.548 17.214 263 H LEU 32 HN LEU 32 -3.916 -1.173 14.527 264 HA LEU 32 HA LEU 32 -2.991 -2.896 12.512 265 HB2 LEU 32 HB2 LEU 32 -5.705 -2.201 13.599 266 HB3 LEU 32 HB1 LEU 32 -5.618 -3.093 12.088 267 HG LEU 32 HG LEU 32 -4.095 -4.757 13.322 268 HD11 LEU 32 HD11 LEU 32 -4.135 -4.791 15.713 269 HD12 LEU 32 HD12 LEU 32 -5.309 -3.475 15.784 270 HD13 LEU 32 HD13 LEU 32 -3.653 -3.160 15.254 271 HD21 LEU 32 HD21 LEU 32 -6.974 -4.358 14.178 272 HD22 LEU 32 HD22 LEU 32 -6.067 -5.847 14.434 273 HD23 LEU 32 HD23 LEU 32 -6.406 -5.292 12.794 274 H PHE 33 HN PHE 33 -4.829 0.126 12.441 275 HA PHE 33 HA PHE 33 -5.197 0.224 9.641 276 HB2 PHE 33 HB2 PHE 33 -6.476 1.632 11.166 277 HB3 PHE 33 HB1 PHE 33 -5.007 2.496 11.622 278 HD1 PHE 33 HD1 PHE 33 -7.033 1.563 8.614 279 HD2 PHE 33 HD2 PHE 33 -4.368 4.417 10.410 280 HE1 PHE 33 HE1 PHE 33 -7.329 3.059 6.667 281 HE2 PHE 33 HE2 PHE 33 -4.664 5.910 8.461 282 HZ PHE 33 HZ PHE 33 -6.139 5.238 6.586 283 H ILE 34 HN ILE 34 -2.779 1.783 11.705 284 HA ILE 34 HA ILE 34 -1.289 2.921 9.584 285 HB ILE 34 HB ILE 34 -0.495 2.211 12.412 286 HG12 ILE 34 HG12 ILE 34 -2.214 3.972 12.212 287 HG13 ILE 34 HG11 ILE 34 -0.695 4.648 12.781 288 HG21 ILE 34 HG21 ILE 34 1.065 3.591 10.223 289 HG22 ILE 34 HG22 ILE 34 1.572 2.262 11.267 290 HG23 ILE 34 HG23 ILE 34 1.404 3.890 11.928 291 HD11 ILE 34 HD3 ILE 34 -1.176 6.209 11.169 292 HD12 ILE 34 HD1 ILE 34 -2.127 5.084 10.209 293 HD13 ILE 34 HD2 ILE 34 -0.369 5.049 10.119 294 H ASN 35 HN ASN 35 -0.840 -0.126 11.401 295 HA ASN 35 HA ASN 35 1.467 -0.948 9.998 296 HB2 ASN 35 HB2 ASN 35 0.828 -1.920 12.159 297 HB3 ASN 35 HB1 ASN 35 -0.616 -2.620 11.420 298 HD21 ASN 35 HD21 ASN 35 0.089 -4.829 11.801 299 HD22 ASN 35 HD22 ASN 35 1.383 -5.515 10.935 300 H PHE 36 HN PHE 36 -1.965 -1.692 9.655 301 HA PHE 36 HA PHE 36 -1.628 -3.360 7.405 302 HB2 PHE 36 HB2 PHE 36 -3.689 -3.412 8.787 303 HB3 PHE 36 HB1 PHE 36 -4.121 -1.822 8.140 304 HD1 PHE 36 HD2 PHE 36 -3.358 -5.345 7.174 305 HD2 PHE 36 HD1 PHE 36 -5.167 -1.624 6.014 306 HE1 PHE 36 HE2 PHE 36 -4.346 -6.440 5.184 307 HE2 PHE 36 HE1 PHE 36 -6.156 -2.722 4.021 308 HZ PHE 36 HZ PHE 36 -5.749 -5.134 3.610 309 H ALA 37 HN ALA 37 -1.939 0.138 7.709 310 HA ALA 37 HA ALA 37 -2.512 0.554 4.933 311 HB1 ALA 37 HB1 ALA 37 -1.997 2.929 5.508 312 HB2 ALA 37 HB2 ALA 37 -1.601 2.395 7.139 313 HB3 ALA 37 HB3 ALA 37 -3.240 2.202 6.524 314 H LEU 38 HN LEU 38 0.317 0.530 7.013 315 HA LEU 38 HA LEU 38 2.198 1.573 5.190 316 HB2 LEU 38 HB2 LEU 38 2.402 -0.219 7.593 317 HB3 LEU 38 HB1 LEU 38 3.835 0.160 6.646 318 HG LEU 38 HG LEU 38 2.001 2.336 7.702 319 HD11 LEU 38 HD11 LEU 38 3.567 2.550 9.615 320 HD12 LEU 38 HD12 LEU 38 4.420 1.106 9.070 321 HD13 LEU 38 HD13 LEU 38 2.746 0.987 9.625 322 HD21 LEU 38 HD21 LEU 38 4.850 2.223 6.651 323 HD22 LEU 38 HD22 LEU 38 4.291 3.574 7.627 324 HD23 LEU 38 HD23 LEU 38 3.518 3.230 6.085 325 H ILE 39 HN ILE 39 1.020 -1.719 5.759 326 HA ILE 39 HA ILE 39 2.859 -3.020 4.012 327 HB ILE 39 HB ILE 39 0.068 -3.776 4.919 328 HG12 ILE 39 HG12 ILE 39 2.756 -4.902 5.735 329 HG13 ILE 39 HG11 ILE 39 1.953 -3.593 6.613 330 HG21 ILE 39 HG21 ILE 39 0.844 -6.099 4.186 331 HG22 ILE 39 HG22 ILE 39 2.126 -5.281 3.298 332 HG23 ILE 39 HG23 ILE 39 0.435 -4.980 2.887 333 HD11 ILE 39 HD3 ILE 39 -0.017 -5.038 6.957 334 HD12 ILE 39 HD1 ILE 39 1.435 -5.764 7.646 335 HD13 ILE 39 HD2 ILE 39 0.798 -6.351 6.108 336 H LEU 40 HN LEU 40 -0.363 -1.670 3.632 337 HA LEU 40 HA LEU 40 -0.717 -2.365 0.904 338 HB2 LEU 40 HB2 LEU 40 -2.616 -1.726 2.300 339 HB3 LEU 40 HB1 LEU 40 -1.937 -0.114 2.531 340 HG LEU 40 HG LEU 40 -2.180 0.360 0.135 341 HD11 LEU 40 HD11 LEU 40 -1.865 -1.668 -1.005 342 HD12 LEU 40 HD12 LEU 40 -3.601 -1.422 -1.170 343 HD13 LEU 40 HD13 LEU 40 -2.981 -2.551 0.038 344 HD21 LEU 40 HD21 LEU 40 -4.725 -0.845 1.275 345 HD22 LEU 40 HD22 LEU 40 -4.620 0.424 0.056 346 HD23 LEU 40 HD23 LEU 40 -4.085 0.743 1.706 347 H ILE 41 HN ILE 41 0.368 0.613 2.463 348 HA ILE 41 HA ILE 41 0.887 2.116 0.141 349 HB ILE 41 HB ILE 41 2.008 2.268 2.945 350 HG12 ILE 41 HG12 ILE 41 0.096 4.114 1.493 351 HG13 ILE 41 HG11 ILE 41 -0.462 2.739 2.443 352 HG21 ILE 41 HG21 ILE 41 3.665 3.299 1.585 353 HG22 ILE 41 HG22 ILE 41 2.670 4.612 2.214 354 HG23 ILE 41 HG23 ILE 41 2.453 4.054 0.555 355 HD11 ILE 41 HD3 ILE 41 0.608 3.627 4.440 356 HD12 ILE 41 HD1 ILE 41 -0.433 4.870 3.747 357 HD13 ILE 41 HD2 ILE 41 1.315 4.950 3.513 358 H PHE 42 HN PHE 42 3.089 0.083 2.113 359 HA PHE 42 HA PHE 42 5.433 0.568 0.671 360 HB2 PHE 42 HB2 PHE 42 5.398 -0.640 2.812 361 HB3 PHE 42 HB1 PHE 42 4.575 -1.988 2.029 362 HD1 PHE 42 HD1 PHE 42 7.692 0.065 1.878 363 HD2 PHE 42 HD2 PHE 42 5.817 -3.677 0.906 364 HE1 PHE 42 HE1 PHE 42 9.881 -0.841 1.148 365 HE2 PHE 42 HE2 PHE 42 8.005 -4.582 0.178 366 HZ PHE 42 HZ PHE 42 10.038 -3.167 0.300 367 H LEU 43 HN LEU 43 2.952 -1.919 0.193 368 HA LEU 43 HA LEU 43 4.172 -3.188 -2.006 369 HB2 LEU 43 HB2 LEU 43 1.291 -3.036 -1.121 370 HB3 LEU 43 HB1 LEU 43 1.826 -4.031 -2.474 371 HG LEU 43 HG LEU 43 3.013 -4.245 0.312 372 HD11 LEU 43 HD11 LEU 43 0.847 -5.956 -0.946 373 HD12 LEU 43 HD12 LEU 43 0.575 -4.747 0.311 374 HD13 LEU 43 HD13 LEU 43 1.552 -6.176 0.652 375 HD21 LEU 43 HD21 LEU 43 3.472 -6.655 -0.720 376 HD22 LEU 43 HD22 LEU 43 4.532 -5.318 -1.151 377 HD23 LEU 43 HD23 LEU 43 3.263 -5.827 -2.265 378 H LEU 44 HN LEU 44 1.902 -0.499 -1.785 379 HA LEU 44 HA LEU 44 1.436 -0.275 -4.572 380 HB2 LEU 44 HB2 LEU 44 1.162 1.702 -2.310 381 HB3 LEU 44 HB1 LEU 44 0.754 2.108 -3.967 382 HG LEU 44 HG LEU 44 -0.429 -0.293 -2.554 383 HD11 LEU 44 HD11 LEU 44 -1.583 2.507 -2.792 384 HD12 LEU 44 HD12 LEU 44 -0.970 1.781 -1.307 385 HD13 LEU 44 HD13 LEU 44 -2.401 1.112 -2.093 386 HD21 LEU 44 HD21 LEU 44 -1.008 1.211 -5.124 387 HD22 LEU 44 HD22 LEU 44 -2.289 0.300 -4.331 388 HD23 LEU 44 HD23 LEU 44 -0.842 -0.526 -4.877 389 H LEU 45 HN LEU 45 3.854 1.148 -2.399 390 HA LEU 45 HA LEU 45 4.952 2.958 -4.254 391 HB2 LEU 45 HB2 LEU 45 6.119 1.579 -1.850 392 HB3 LEU 45 HB1 LEU 45 7.012 2.776 -2.783 393 HG LEU 45 HG LEU 45 4.280 3.311 -1.582 394 HD11 LEU 45 HD11 LEU 45 5.678 2.870 0.291 395 HD12 LEU 45 HD12 LEU 45 5.658 4.626 0.136 396 HD13 LEU 45 HD13 LEU 45 7.052 3.707 -0.435 397 HD21 LEU 45 HD21 LEU 45 6.396 5.000 -2.945 398 HD22 LEU 45 HD22 LEU 45 5.326 5.744 -1.760 399 HD23 LEU 45 HD23 LEU 45 4.652 4.992 -3.197 400 H ILE 46 HN ILE 46 5.723 -0.421 -3.571 401 HA ILE 46 HA ILE 46 7.985 -0.594 -5.245 402 HB ILE 46 HB ILE 46 5.962 -2.661 -4.356 403 HG12 ILE 46 HG12 ILE 46 7.273 -1.680 -2.523 404 HG13 ILE 46 HG11 ILE 46 7.751 -3.349 -2.791 405 HG21 ILE 46 HG21 ILE 46 7.831 -4.280 -4.973 406 HG22 ILE 46 HG22 ILE 46 8.510 -2.957 -5.916 407 HG23 ILE 46 HG23 ILE 46 6.907 -3.578 -6.300 408 HD11 ILE 46 HD3 ILE 46 9.275 -0.822 -3.289 409 HD12 ILE 46 HD1 ILE 46 9.586 -2.185 -4.365 410 HD13 ILE 46 HD2 ILE 46 9.834 -2.357 -2.632 411 H ALA 47 HN ALA 47 4.555 -1.123 -5.741 412 HA ALA 47 HA ALA 47 4.615 -2.043 -8.392 413 HB1 ALA 47 HB1 ALA 47 2.603 -1.918 -6.809 414 HB2 ALA 47 HB2 ALA 47 2.293 -1.530 -8.504 415 HB3 ALA 47 HB3 ALA 47 2.457 -0.237 -7.311 416 H ILE 48 HN ILE 48 4.354 1.268 -7.133 417 HA ILE 48 HA ILE 48 4.238 2.569 -9.638 418 HB ILE 48 HB ILE 48 5.152 3.541 -6.927 419 HG12 ILE 48 HG12 ILE 48 2.611 4.100 -8.479 420 HG13 ILE 48 HG11 ILE 48 2.748 2.793 -7.301 421 HG21 ILE 48 HG21 ILE 48 4.689 5.821 -7.984 422 HG22 ILE 48 HG22 ILE 48 4.732 5.001 -9.545 423 HG23 ILE 48 HG23 ILE 48 6.168 5.020 -8.517 424 HD11 ILE 48 HD3 ILE 48 3.263 5.727 -6.723 425 HD12 ILE 48 HD1 ILE 48 3.334 4.413 -5.552 426 HD13 ILE 48 HD2 ILE 48 1.792 4.855 -6.288 427 H ILE 49 HN ILE 49 6.987 1.816 -7.520 428 HA ILE 49 HA ILE 49 8.950 3.074 -9.139 429 HB ILE 49 HB ILE 49 9.149 0.864 -7.110 430 HG12 ILE 49 HG12 ILE 49 8.474 3.041 -6.185 431 HG13 ILE 49 HG11 ILE 49 10.095 2.632 -5.657 432 HG21 ILE 49 HG21 ILE 49 11.328 2.286 -8.629 433 HG22 ILE 49 HG22 ILE 49 11.061 0.552 -8.467 434 HG23 ILE 49 HG23 ILE 49 11.626 1.489 -7.083 435 HD11 ILE 49 HD3 ILE 49 10.765 4.056 -7.830 436 HD12 ILE 49 HD1 ILE 49 10.429 4.829 -6.283 437 HD13 ILE 49 HD2 ILE 49 9.191 4.778 -7.535 438 H VAL 50 HN VAL 50 7.781 -0.250 -8.940 439 HA VAL 50 HA VAL 50 9.537 -1.342 -10.865 440 HB VAL 50 HB VAL 50 6.769 -2.158 -9.944 441 HG11 VAL 50 HG11 VAL 50 7.392 -4.379 -11.029 442 HG12 VAL 50 HG12 VAL 50 8.656 -3.505 -11.891 443 HG13 VAL 50 HG13 VAL 50 6.963 -3.082 -12.145 444 HG21 VAL 50 HG21 VAL 50 8.840 -2.262 -8.411 445 HG22 VAL 50 HG22 VAL 50 9.431 -3.527 -9.484 446 HG23 VAL 50 HG23 VAL 50 7.918 -3.754 -8.603 447 H MET 51 HN MET 51 6.275 0.044 -11.106 448 HA MET 51 HA MET 51 6.067 -0.282 -13.917 449 HB2 MET 51 HB2 MET 51 4.559 1.362 -11.900 450 HB3 MET 51 HB1 MET 51 4.219 1.500 -13.625 451 HG2 MET 51 HG2 MET 51 3.864 -0.994 -13.683 452 HG3 MET 51 HG1 MET 51 4.019 -1.010 -11.932 453 HE1 MET 51 HE1 MET 51 2.612 -0.068 -10.313 454 HE2 MET 51 HE2 MET 51 1.031 0.665 -10.518 455 HE3 MET 51 HE3 MET 51 2.471 1.613 -10.865 456 H LEU 52 HN LEU 52 7.520 2.183 -11.848 457 HA LEU 52 HA LEU 52 7.526 4.300 -13.671 458 HB2 LEU 52 HB2 LEU 52 8.113 4.624 -11.333 459 HB3 LEU 52 HB1 LEU 52 9.537 3.607 -11.527 460 HG LEU 52 HG LEU 52 10.526 5.216 -13.084 461 HD11 LEU 52 HD11 LEU 52 7.830 6.555 -12.807 462 HD12 LEU 52 HD12 LEU 52 8.745 6.189 -14.272 463 HD13 LEU 52 HD13 LEU 52 9.258 7.503 -13.225 464 HD21 LEU 52 HD21 LEU 52 10.915 7.023 -11.494 465 HD22 LEU 52 HD22 LEU 52 10.783 5.508 -10.602 466 HD23 LEU 52 HD23 LEU 52 9.426 6.636 -10.637 467 H LEU 53 HN LEU 53 9.792 1.613 -13.295 468 HA LEU 53 HA LEU 53 11.538 2.606 -15.382 469 HB2 LEU 53 HB2 LEU 53 11.478 0.163 -13.619 470 HB3 LEU 53 HB1 LEU 53 12.519 0.181 -15.041 471 HG LEU 53 HG LEU 53 13.588 2.259 -14.230 472 HD11 LEU 53 HD11 LEU 53 11.681 1.846 -11.914 473 HD12 LEU 53 HD12 LEU 53 11.816 3.262 -12.959 474 HD13 LEU 53 HD13 LEU 53 13.104 2.880 -11.812 475 HD21 LEU 53 HD21 LEU 53 14.812 1.239 -12.359 476 HD22 LEU 53 HD22 LEU 53 14.504 0.027 -13.605 477 HD23 LEU 53 HD23 LEU 53 13.523 0.052 -12.140 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -33.475 4.888 7.418 2 H2 ALA 1 HT2 ALA 1 -34.261 3.393 7.212 3 H3 ALA 1 HT3 ALA 1 -33.173 3.619 8.498 4 HA ALA 1 HA ALA 1 -34.827 5.559 9.085 5 HB1 ALA 1 HB1 ALA 1 -36.572 3.461 7.760 6 HB2 ALA 1 HB2 ALA 1 -36.207 5.035 7.053 7 HB3 ALA 1 HB3 ALA 1 -37.120 4.935 8.560 8 H MET 2 HN MET 2 -33.124 3.718 10.242 9 HA MET 2 HA MET 2 -34.900 2.200 12.102 10 HB2 MET 2 HB2 MET 2 -32.131 1.509 11.094 11 HB3 MET 2 HB1 MET 2 -32.948 0.662 12.410 12 HG2 MET 2 HG2 MET 2 -34.834 0.153 10.872 13 HG3 MET 2 HG1 MET 2 -33.942 0.921 9.562 14 HE1 MET 2 HE1 MET 2 -32.033 0.189 8.447 15 HE2 MET 2 HE2 MET 2 -31.138 -1.309 8.637 16 HE3 MET 2 HE3 MET 2 -30.896 -0.008 9.795 17 H GLU 3 HN GLU 3 -34.298 2.149 14.285 18 HA GLU 3 HA GLU 3 -33.274 4.573 15.316 19 HB2 GLU 3 HB2 GLU 3 -33.680 1.894 16.669 20 HB3 GLU 3 HB1 GLU 3 -33.337 3.401 17.515 21 HG2 GLU 3 HG2 GLU 3 -35.715 2.974 15.684 22 HG3 GLU 3 HG1 GLU 3 -35.778 2.860 17.442 23 H LYS 4 HN LYS 4 -31.785 1.413 14.776 24 HA LYS 4 HA LYS 4 -29.380 1.859 16.174 25 HB2 LYS 4 HB2 LYS 4 -29.979 0.152 13.753 26 HB3 LYS 4 HB1 LYS 4 -28.450 0.115 14.629 27 HG2 LYS 4 HG2 LYS 4 -29.579 -0.553 16.675 28 HG3 LYS 4 HG1 LYS 4 -31.153 -0.384 15.901 29 HD2 LYS 4 HD2 LYS 4 -30.715 -2.708 15.809 30 HD3 LYS 4 HD1 LYS 4 -30.315 -2.125 14.196 31 HE2 LYS 4 HE2 LYS 4 -27.951 -2.158 14.688 32 HE3 LYS 4 HE1 LYS 4 -28.259 -2.459 16.399 33 HZ1 LYS 4 HZ1 LYS 4 -29.597 -4.443 15.053 34 HZ2 LYS 4 HZ2 LYS 4 -28.145 -4.603 15.919 35 HZ3 LYS 4 HZ3 LYS 4 -28.115 -4.307 14.246 36 H VAL 5 HN VAL 5 -30.384 2.578 12.912 37 HA VAL 5 HA VAL 5 -27.890 3.505 11.939 38 HB VAL 5 HB VAL 5 -30.711 4.110 11.045 39 HG11 VAL 5 HG11 VAL 5 -28.017 4.759 9.813 40 HG12 VAL 5 HG12 VAL 5 -29.320 5.882 10.203 41 HG13 VAL 5 HG13 VAL 5 -29.514 4.730 8.882 42 HG21 VAL 5 HG21 VAL 5 -30.354 2.388 9.419 43 HG22 VAL 5 HG22 VAL 5 -29.804 1.716 10.954 44 HG23 VAL 5 HG23 VAL 5 -28.629 2.308 9.781 45 H GLN 6 HN GLN 6 -30.660 5.141 13.386 46 HA GLN 6 HA GLN 6 -29.681 7.775 13.127 47 HB2 GLN 6 HB2 GLN 6 -31.616 6.598 15.121 48 HB3 GLN 6 HB1 GLN 6 -31.323 8.324 14.909 49 HG2 GLN 6 HG2 GLN 6 -32.254 6.477 12.699 50 HG3 GLN 6 HG1 GLN 6 -33.330 7.505 13.644 51 HE21 GLN 6 HE21 GLN 6 -31.951 7.457 10.689 52 HE22 GLN 6 HE22 GLN 6 -31.670 9.114 10.450 53 H TYR 7 HN TYR 7 -29.540 5.494 15.852 54 HA TYR 7 HA TYR 7 -28.147 7.191 17.615 55 HB2 TYR 7 HB2 TYR 7 -29.223 5.174 18.413 56 HB3 TYR 7 HB1 TYR 7 -28.166 4.176 17.417 57 HD1 TYR 7 HD2 TYR 7 -28.246 6.529 20.287 58 HD2 TYR 7 HD1 TYR 7 -25.953 3.610 18.128 59 HE1 TYR 7 HE2 TYR 7 -26.566 6.504 22.114 60 HE2 TYR 7 HE1 TYR 7 -24.267 3.582 19.958 61 HH TYR 7 HH TYR 7 -23.531 5.306 21.803 62 H LEU 8 HN LEU 8 -26.906 4.618 15.489 63 HA LEU 8 HA LEU 8 -24.211 4.847 15.986 64 HB2 LEU 8 HB2 LEU 8 -25.706 4.228 13.454 65 HB3 LEU 8 HB1 LEU 8 -23.946 4.196 13.503 66 HG LEU 8 HG LEU 8 -25.671 2.640 15.451 67 HD11 LEU 8 HD11 LEU 8 -26.249 1.759 13.319 68 HD12 LEU 8 HD12 LEU 8 -25.034 0.661 13.974 69 HD13 LEU 8 HD13 LEU 8 -24.582 1.845 12.748 70 HD21 LEU 8 HD21 LEU 8 -23.509 2.683 16.367 71 HD22 LEU 8 HD22 LEU 8 -22.716 2.746 14.797 72 HD23 LEU 8 HD23 LEU 8 -23.406 1.233 15.378 73 H THR 9 HN THR 9 -26.207 6.896 13.900 74 HA THR 9 HA THR 9 -24.110 8.397 12.748 75 HB THR 9 HB THR 9 -26.966 9.202 13.326 76 HG1 THR 9 HG1 THR 9 -25.651 8.118 11.059 77 HG21 THR 9 HG21 THR 9 -26.519 10.828 11.442 78 HG22 THR 9 HG22 THR 9 -24.806 10.440 11.609 79 HG23 THR 9 HG23 THR 9 -25.677 11.193 12.947 80 H ARG 10 HN ARG 10 -26.078 8.991 15.703 81 HA ARG 10 HA ARG 10 -24.870 11.446 16.346 82 HB2 ARG 10 HB2 ARG 10 -26.196 9.359 18.082 83 HB3 ARG 10 HB1 ARG 10 -25.628 10.910 18.705 84 HG2 ARG 10 HG2 ARG 10 -27.063 12.103 17.114 85 HG3 ARG 10 HG1 ARG 10 -27.629 10.564 16.453 86 HD2 ARG 10 HD2 ARG 10 -27.922 11.327 19.363 87 HD3 ARG 10 HD1 ARG 10 -29.169 11.619 18.160 88 HE ARG 10 HE ARG 10 -28.418 8.913 18.011 89 HH11 ARG 10 HH21 ARG 10 -29.932 11.156 20.155 90 HH12 ARG 10 HH22 ARG 10 -30.929 9.963 20.918 91 HH21 ARG 10 HH11 ARG 10 -29.710 7.347 19.001 92 HH22 ARG 10 HH12 ARG 10 -30.805 7.799 20.264 93 H SER 11 HN SER 11 -24.094 8.139 17.246 94 HA SER 11 HA SER 11 -21.873 8.809 18.894 95 HB2 SER 11 HB2 SER 11 -21.283 6.422 18.656 96 HB3 SER 11 HB1 SER 11 -22.974 6.646 19.081 97 HG SER 11 HG1 SER 11 -23.291 6.591 16.695 98 H ALA 12 HN ALA 12 -22.345 8.376 15.529 99 HA ALA 12 HA ALA 12 -19.734 7.894 14.673 100 HB1 ALA 12 HB1 ALA 12 -20.389 8.560 12.511 101 HB2 ALA 12 HB2 ALA 12 -21.584 9.703 13.126 102 HB3 ALA 12 HB3 ALA 12 -21.877 7.971 13.241 103 H ILE 13 HN ILE 13 -21.377 10.833 15.605 104 HA ILE 13 HA ILE 13 -19.096 12.489 14.923 105 HB ILE 13 HB ILE 13 -21.729 13.126 15.054 106 HG12 ILE 13 HG12 ILE 13 -20.998 15.550 15.183 107 HG13 ILE 13 HG11 ILE 13 -19.382 14.988 15.583 108 HG21 ILE 13 HG21 ILE 13 -22.355 14.341 16.968 109 HG22 ILE 13 HG22 ILE 13 -20.708 14.394 17.600 110 HG23 ILE 13 HG23 ILE 13 -21.608 12.890 17.617 111 HD11 ILE 13 HD3 ILE 13 -20.162 15.504 13.064 112 HD12 ILE 13 HD1 ILE 13 -20.613 13.803 13.129 113 HD13 ILE 13 HD2 ILE 13 -18.944 14.292 13.439 114 H ARG 14 HN ARG 14 -20.482 11.196 17.920 115 HA ARG 14 HA ARG 14 -18.687 12.548 19.668 116 HB2 ARG 14 HB2 ARG 14 -20.811 11.503 20.417 117 HB3 ARG 14 HB1 ARG 14 -20.110 9.918 20.100 118 HG2 ARG 14 HG2 ARG 14 -18.363 10.316 21.750 119 HG3 ARG 14 HG1 ARG 14 -18.960 11.958 22.020 120 HD2 ARG 14 HD2 ARG 14 -19.818 10.505 23.774 121 HD3 ARG 14 HD1 ARG 14 -21.139 11.024 22.737 122 HE ARG 14 HE ARG 14 -20.084 8.555 21.804 123 HH11 ARG 14 HH21 ARG 14 -21.957 9.971 24.359 124 HH12 ARG 14 HH22 ARG 14 -22.869 8.531 24.667 125 HH21 ARG 14 HH11 ARG 14 -21.297 6.664 22.216 126 HH22 ARG 14 HH12 ARG 14 -22.501 6.668 23.461 127 H ARG 15 HN ARG 15 -18.703 9.352 18.271 128 HA ARG 15 HA ARG 15 -16.423 8.256 19.365 129 HB2 ARG 15 HB2 ARG 15 -17.716 7.923 16.650 130 HB3 ARG 15 HB1 ARG 15 -16.346 6.940 17.177 131 HG2 ARG 15 HG2 ARG 15 -17.578 6.073 19.035 132 HG3 ARG 15 HG1 ARG 15 -18.896 7.200 18.777 133 HD2 ARG 15 HD2 ARG 15 -19.534 5.025 17.882 134 HD3 ARG 15 HD1 ARG 15 -19.311 6.158 16.556 135 HE ARG 15 HE ARG 15 -17.396 4.966 15.899 136 HH11 ARG 15 HH21 ARG 15 -18.649 3.838 18.930 137 HH12 ARG 15 HH22 ARG 15 -17.643 2.427 18.968 138 HH21 ARG 15 HH11 ARG 15 -16.086 3.128 15.950 139 HH22 ARG 15 HH12 ARG 15 -16.188 2.027 17.283 140 H ALA 16 HN ALA 16 -16.833 10.503 16.700 141 HA ALA 16 HA ALA 16 -14.231 10.444 15.682 142 HB1 ALA 16 HB1 ALA 16 -14.656 12.548 14.675 143 HB2 ALA 16 HB2 ALA 16 -15.741 13.045 15.973 144 HB3 ALA 16 HB3 ALA 16 -16.258 11.827 14.808 145 H SER 17 HN SER 17 -15.608 11.588 18.512 146 HA SER 17 HA SER 17 -13.271 13.114 19.402 147 HB2 SER 17 HB2 SER 17 -15.499 12.423 21.290 148 HB3 SER 17 HB1 SER 17 -14.604 13.925 21.110 149 HG SER 17 HG1 SER 17 -16.167 14.554 19.855 150 H THR 18 HN THR 18 -15.130 10.427 20.944 151 HA THR 18 HA THR 18 -12.590 9.307 21.931 152 HB THR 18 HB THR 18 -13.881 10.133 23.756 153 HG1 THR 18 HG1 THR 18 -13.764 8.328 24.865 154 HG21 THR 18 HG21 THR 18 -16.184 8.508 22.644 155 HG22 THR 18 HG22 THR 18 -16.045 10.262 22.556 156 HG23 THR 18 HG23 THR 18 -16.209 9.468 24.122 157 H ILE 19 HN ILE 19 -13.575 8.546 19.426 158 HA ILE 19 HA ILE 19 -15.173 6.302 19.110 159 HB ILE 19 HB ILE 19 -14.018 7.142 17.168 160 HG12 ILE 19 HG12 ILE 19 -12.806 4.415 17.657 161 HG13 ILE 19 HG11 ILE 19 -14.519 4.629 17.303 162 HG21 ILE 19 HG21 ILE 19 -12.005 7.966 18.091 163 HG22 ILE 19 HG22 ILE 19 -11.532 6.699 16.959 164 HG23 ILE 19 HG23 ILE 19 -11.545 6.373 18.694 165 HD11 ILE 19 HD3 ILE 19 -12.245 5.595 15.542 166 HD12 ILE 19 HD1 ILE 19 -13.967 5.727 15.182 167 HD13 ILE 19 HD2 ILE 19 -13.200 4.141 15.255 168 H GLU 20 HN GLU 20 -12.272 6.559 20.910 169 HA GLU 20 HA GLU 20 -11.548 3.828 21.116 170 HB2 GLU 20 HB2 GLU 20 -9.867 5.326 21.765 171 HB3 GLU 20 HB1 GLU 20 -10.969 6.343 22.675 172 HG2 GLU 20 HG2 GLU 20 -10.397 3.511 23.572 173 HG3 GLU 20 HG1 GLU 20 -9.309 4.823 23.991 174 H MET 21 HN MET 21 -12.658 2.262 22.063 175 HA MET 21 HA MET 21 -14.777 2.930 24.024 176 HB2 MET 21 HB2 MET 21 -14.338 0.771 22.020 177 HB3 MET 21 HB1 MET 21 -15.169 0.295 23.501 178 HG2 MET 21 HG2 MET 21 -16.995 1.675 23.056 179 HG3 MET 21 HG1 MET 21 -16.065 2.781 22.047 180 HE1 MET 21 HE1 MET 21 -17.212 -0.794 22.530 181 HE2 MET 21 HE2 MET 21 -15.716 -1.140 21.668 182 HE3 MET 21 HE3 MET 21 -17.260 -1.500 20.901 183 HA PRO 22 HA PRO 22 -12.595 -0.502 26.553 184 HB2 PRO 22 HB2 PRO 22 -10.301 -1.667 25.590 185 HB3 PRO 22 HB1 PRO 22 -11.933 -2.298 25.260 186 HG2 PRO 22 HG2 PRO 22 -10.224 -0.546 23.538 187 HG3 PRO 22 HG1 PRO 22 -11.158 -1.986 23.095 188 HD2 PRO 22 HD2 PRO 22 -12.127 0.455 22.591 189 HD3 PRO 22 HD1 PRO 22 -13.197 -0.867 23.132 190 H GLN 23 HN GLN 23 -9.504 0.122 25.034 191 HA GLN 23 HA GLN 23 -8.921 2.458 26.690 192 HB2 GLN 23 HB2 GLN 23 -7.585 -0.206 27.157 193 HB3 GLN 23 HB1 GLN 23 -6.875 1.319 27.687 194 HG2 GLN 23 HG2 GLN 23 -9.031 1.768 28.933 195 HG3 GLN 23 HG1 GLN 23 -9.504 0.114 28.543 196 HE21 GLN 23 HE21 GLN 23 -8.007 1.941 30.928 197 HE22 GLN 23 HE22 GLN 23 -7.131 0.705 31.694 198 H GLN 24 HN GLN 24 -6.610 0.044 25.477 199 HA GLN 24 HA GLN 24 -5.074 2.005 24.100 200 HB2 GLN 24 HB2 GLN 24 -5.024 -1.020 24.034 201 HB3 GLN 24 HB1 GLN 24 -3.836 -0.003 23.228 202 HG2 GLN 24 HG2 GLN 24 -3.227 1.022 25.372 203 HG3 GLN 24 HG1 GLN 24 -4.455 0.060 26.196 204 HE21 GLN 24 HE21 GLN 24 -2.145 -0.484 27.323 205 HE22 GLN 24 HE22 GLN 24 -1.406 -1.890 26.721 206 H ALA 25 HN ALA 25 -8.007 1.076 23.363 207 HA ALA 25 HA ALA 25 -8.001 0.097 20.763 208 HB1 ALA 25 HB1 ALA 25 -9.921 1.514 22.465 209 HB2 ALA 25 HB2 ALA 25 -10.219 0.228 21.299 210 HB3 ALA 25 HB3 ALA 25 -10.159 1.905 20.760 211 H ARG 26 HN ARG 26 -6.980 3.139 21.973 212 HA ARG 26 HA ARG 26 -7.269 4.712 19.654 213 HB2 ARG 26 HB2 ARG 26 -5.291 4.851 21.932 214 HB3 ARG 26 HB1 ARG 26 -5.353 6.041 20.637 215 HG2 ARG 26 HG2 ARG 26 -7.689 6.541 21.182 216 HG3 ARG 26 HG1 ARG 26 -7.647 5.329 22.457 217 HD2 ARG 26 HD2 ARG 26 -5.876 6.571 23.610 218 HD3 ARG 26 HD1 ARG 26 -5.890 7.778 22.327 219 HE ARG 26 HE ARG 26 -8.503 7.556 23.339 220 HH11 ARG 26 HH21 ARG 26 -5.323 8.550 24.305 221 HH12 ARG 26 HH22 ARG 26 -5.892 9.708 25.461 222 HH21 ARG 26 HH11 ARG 26 -9.247 9.069 24.847 223 HH22 ARG 26 HH12 ARG 26 -8.116 10.004 25.768 224 H GLN 27 HN GLN 27 -4.454 2.866 20.878 225 HA GLN 27 HA GLN 27 -3.047 3.196 18.348 226 HB2 GLN 27 HB2 GLN 27 -2.275 1.935 20.974 227 HB3 GLN 27 HB1 GLN 27 -1.224 1.996 19.556 228 HG2 GLN 27 HG2 GLN 27 -1.322 4.445 19.546 229 HG3 GLN 27 HG1 GLN 27 -2.441 4.424 20.911 230 HE21 GLN 27 HE21 GLN 27 0.804 4.798 20.165 231 HE22 GLN 27 HE22 GLN 27 1.466 4.373 21.669 232 H ASN 28 HN ASN 28 -4.666 0.598 20.166 233 HA ASN 28 HA ASN 28 -3.614 -1.542 18.646 234 HB2 ASN 28 HB2 ASN 28 -6.152 -1.199 20.218 235 HB3 ASN 28 HB1 ASN 28 -5.791 -2.700 19.378 236 HD21 ASN 28 HD21 ASN 28 -5.995 -2.608 22.219 237 HD22 ASN 28 HD22 ASN 28 -4.458 -2.900 22.875 238 H LEU 29 HN LEU 29 -6.633 0.295 18.253 239 HA LEU 29 HA LEU 29 -7.405 -1.065 15.859 240 HB2 LEU 29 HB2 LEU 29 -8.254 1.709 16.714 241 HB3 LEU 29 HB1 LEU 29 -9.108 0.609 15.631 242 HG LEU 29 HG LEU 29 -8.494 0.039 18.505 243 HD11 LEU 29 HD11 LEU 29 -10.952 0.430 18.843 244 HD12 LEU 29 HD12 LEU 29 -11.043 0.985 17.174 245 HD13 LEU 29 HD13 LEU 29 -10.082 1.882 18.349 246 HD21 LEU 29 HD21 LEU 29 -10.402 -1.695 18.049 247 HD22 LEU 29 HD22 LEU 29 -8.789 -2.057 17.444 248 HD23 LEU 29 HD23 LEU 29 -10.019 -1.428 16.346 249 H GLN 30 HN GLN 30 -5.679 1.961 16.609 250 HA GLN 30 HA GLN 30 -5.511 2.693 13.847 251 HB2 GLN 30 HB2 GLN 30 -4.010 3.642 16.273 252 HB3 GLN 30 HB1 GLN 30 -3.779 4.311 14.666 253 HG2 GLN 30 HG2 GLN 30 -6.100 4.956 14.520 254 HG3 GLN 30 HG1 GLN 30 -6.461 4.171 16.059 255 HE21 GLN 30 HE21 GLN 30 -6.630 7.107 15.253 256 HE22 GLN 30 HE22 GLN 30 -5.696 7.924 16.411 257 H ASN 31 HN ASN 31 -3.534 0.727 15.967 258 HA ASN 31 HA ASN 31 -1.172 0.804 14.438 259 HB2 ASN 31 HB2 ASN 31 -2.306 -1.163 16.399 260 HB3 ASN 31 HB1 ASN 31 -0.837 -1.569 15.511 261 HD21 ASN 31 HD21 ASN 31 0.313 1.098 15.440 262 HD22 ASN 31 HD22 ASN 31 0.744 1.511 17.030 263 H LEU 32 HN LEU 32 -3.947 -1.385 14.287 264 HA LEU 32 HA LEU 32 -2.911 -2.962 12.189 265 HB2 LEU 32 HB2 LEU 32 -5.626 -2.545 13.401 266 HB3 LEU 32 HB1 LEU 32 -5.514 -3.422 11.882 267 HG LEU 32 HG LEU 32 -5.478 -4.837 14.004 268 HD11 LEU 32 HD11 LEU 32 -4.051 -6.457 13.076 269 HD12 LEU 32 HD12 LEU 32 -2.932 -5.263 12.436 270 HD13 LEU 32 HD13 LEU 32 -4.504 -5.495 11.674 271 HD21 LEU 32 HD21 LEU 32 -3.582 -4.876 15.403 272 HD22 LEU 32 HD22 LEU 32 -3.833 -3.159 15.132 273 HD23 LEU 32 HD23 LEU 32 -2.578 -4.013 14.243 274 H PHE 33 HN PHE 33 -5.111 -0.189 12.219 275 HA PHE 33 HA PHE 33 -5.527 -0.086 9.425 276 HB2 PHE 33 HB2 PHE 33 -6.955 1.144 10.958 277 HB3 PHE 33 HB1 PHE 33 -5.592 2.134 11.483 278 HD1 PHE 33 HD1 PHE 33 -7.452 1.115 8.401 279 HD2 PHE 33 HD2 PHE 33 -5.142 4.165 10.365 280 HE1 PHE 33 HE1 PHE 33 -7.868 2.658 6.507 281 HE2 PHE 33 HE2 PHE 33 -5.558 5.702 8.475 282 HZ PHE 33 HZ PHE 33 -6.919 4.949 6.545 283 H ILE 34 HN ILE 34 -3.297 1.730 11.495 284 HA ILE 34 HA ILE 34 -1.966 3.054 9.376 285 HB ILE 34 HB ILE 34 -1.085 2.444 12.196 286 HG12 ILE 34 HG12 ILE 34 -3.007 3.994 12.010 287 HG13 ILE 34 HG11 ILE 34 -1.576 4.836 12.583 288 HG21 ILE 34 HG21 ILE 34 0.948 2.742 11.003 289 HG22 ILE 34 HG22 ILE 34 0.608 4.298 11.758 290 HG23 ILE 34 HG23 ILE 34 0.276 4.061 10.041 291 HD11 ILE 34 HD3 ILE 34 -2.304 6.321 10.982 292 HD12 ILE 34 HD1 ILE 34 -3.007 5.070 9.970 293 HD13 ILE 34 HD2 ILE 34 -1.267 5.331 9.966 294 H ASN 35 HN ASN 35 -1.140 0.083 11.174 295 HA ASN 35 HA ASN 35 1.253 -0.415 9.760 296 HB2 ASN 35 HB2 ASN 35 0.686 -1.564 11.886 297 HB3 ASN 35 HB1 ASN 35 -0.606 -2.428 11.059 298 HD21 ASN 35 HD21 ASN 35 1.680 -3.748 12.288 299 HD22 ASN 35 HD22 ASN 35 2.550 -4.503 11.042 300 H PHE 36 HN PHE 36 -2.074 -1.388 9.327 301 HA PHE 36 HA PHE 36 -1.688 -3.051 7.102 302 HB2 PHE 36 HB2 PHE 36 -3.805 -3.119 8.260 303 HB3 PHE 36 HB1 PHE 36 -4.122 -1.427 7.869 304 HD1 PHE 36 HD2 PHE 36 -3.577 -4.793 6.352 305 HD2 PHE 36 HD1 PHE 36 -5.143 -0.831 5.808 306 HE1 PHE 36 HE2 PHE 36 -4.612 -5.496 4.216 307 HE2 PHE 36 HE1 PHE 36 -6.180 -1.537 3.665 308 HZ PHE 36 HZ PHE 36 -5.910 -3.874 2.874 309 H ALA 37 HN ALA 37 -1.681 0.436 7.355 310 HA ALA 37 HA ALA 37 -2.178 0.914 4.587 311 HB1 ALA 37 HB1 ALA 37 -1.553 3.216 5.112 312 HB2 ALA 37 HB2 ALA 37 -0.944 2.705 6.688 313 HB3 ALA 37 HB3 ALA 37 -2.670 2.590 6.327 314 H LEU 38 HN LEU 38 0.682 0.610 6.644 315 HA LEU 38 HA LEU 38 2.602 1.429 4.738 316 HB2 LEU 38 HB2 LEU 38 2.752 -0.269 7.218 317 HB3 LEU 38 HB1 LEU 38 4.158 -0.125 6.171 318 HG LEU 38 HG LEU 38 3.828 2.432 6.385 319 HD11 LEU 38 HD11 LEU 38 1.563 2.386 7.301 320 HD12 LEU 38 HD12 LEU 38 2.672 3.151 8.439 321 HD13 LEU 38 HD13 LEU 38 2.143 1.489 8.705 322 HD21 LEU 38 HD21 LEU 38 5.040 2.479 8.525 323 HD22 LEU 38 HD22 LEU 38 5.633 1.159 7.519 324 HD23 LEU 38 HD23 LEU 38 4.538 0.823 8.861 325 H ILE 39 HN ILE 39 1.117 -1.712 5.392 326 HA ILE 39 HA ILE 39 2.807 -3.201 3.647 327 HB ILE 39 HB ILE 39 -0.039 -3.685 4.576 328 HG12 ILE 39 HG12 ILE 39 2.541 -5.035 5.411 329 HG13 ILE 39 HG11 ILE 39 1.875 -3.642 6.263 330 HG21 ILE 39 HG21 ILE 39 1.874 -5.406 2.978 331 HG22 ILE 39 HG22 ILE 39 0.223 -4.947 2.561 332 HG23 ILE 39 HG23 ILE 39 0.516 -6.076 3.882 333 HD11 ILE 39 HD3 ILE 39 0.382 -6.232 5.788 334 HD12 ILE 39 HD1 ILE 39 -0.193 -4.848 6.715 335 HD13 ILE 39 HD2 ILE 39 1.176 -5.793 7.301 336 H LEU 40 HN LEU 40 -0.295 -1.589 3.251 337 HA LEU 40 HA LEU 40 -0.679 -2.259 0.508 338 HB2 LEU 40 HB2 LEU 40 -2.553 -1.558 1.899 339 HB3 LEU 40 HB1 LEU 40 -1.808 0.019 2.152 340 HG LEU 40 HG LEU 40 -2.034 0.545 -0.227 341 HD11 LEU 40 HD11 LEU 40 -2.949 -2.331 -0.384 342 HD12 LEU 40 HD12 LEU 40 -1.779 -1.478 -1.393 343 HD13 LEU 40 HD13 LEU 40 -3.496 -1.152 -1.580 344 HD21 LEU 40 HD21 LEU 40 -3.946 0.976 1.322 345 HD22 LEU 40 HD22 LEU 40 -4.615 -0.599 0.902 346 HD23 LEU 40 HD23 LEU 40 -4.489 0.660 -0.328 347 H ILE 41 HN ILE 41 0.515 0.663 2.100 348 HA ILE 41 HA ILE 41 1.088 2.151 -0.215 349 HB ILE 41 HB ILE 41 2.177 2.254 2.590 350 HG12 ILE 41 HG12 ILE 41 0.327 4.151 1.137 351 HG13 ILE 41 HG11 ILE 41 -0.270 2.778 2.066 352 HG21 ILE 41 HG21 ILE 41 3.875 3.263 1.267 353 HG22 ILE 41 HG22 ILE 41 2.897 4.598 1.878 354 HG23 ILE 41 HG23 ILE 41 2.694 4.041 0.218 355 HD11 ILE 41 HD3 ILE 41 -0.247 4.838 3.436 356 HD12 ILE 41 HD1 ILE 41 1.485 5.003 3.151 357 HD13 ILE 41 HD2 ILE 41 0.872 3.637 4.082 358 H PHE 42 HN PHE 42 3.233 0.078 1.792 359 HA PHE 42 HA PHE 42 5.580 0.525 0.345 360 HB2 PHE 42 HB2 PHE 42 5.544 -0.661 2.485 361 HB3 PHE 42 HB1 PHE 42 4.700 -2.013 1.733 362 HD1 PHE 42 HD1 PHE 42 7.826 -0.003 1.564 363 HD2 PHE 42 HD2 PHE 42 5.905 -3.717 0.590 364 HE1 PHE 42 HE1 PHE 42 10.007 -0.938 0.845 365 HE2 PHE 42 HE2 PHE 42 8.086 -4.655 -0.130 366 HZ PHE 42 HZ PHE 42 10.135 -3.262 -0.003 367 H LEU 43 HN LEU 43 3.069 -1.931 -0.135 368 HA LEU 43 HA LEU 43 4.281 -3.204 -2.346 369 HB2 LEU 43 HB2 LEU 43 1.406 -3.031 -1.447 370 HB3 LEU 43 HB1 LEU 43 1.925 -4.026 -2.803 371 HG LEU 43 HG LEU 43 3.116 -4.256 -0.025 372 HD11 LEU 43 HD11 LEU 43 0.900 -5.906 -1.275 373 HD12 LEU 43 HD12 LEU 43 0.698 -4.757 0.050 374 HD13 LEU 43 HD13 LEU 43 1.659 -6.219 0.284 375 HD21 LEU 43 HD21 LEU 43 3.353 -5.827 -2.603 376 HD22 LEU 43 HD22 LEU 43 3.561 -6.661 -1.064 377 HD23 LEU 43 HD23 LEU 43 4.617 -5.323 -1.484 378 H LEU 44 HN LEU 44 2.018 -0.495 -2.097 379 HA LEU 44 HA LEU 44 1.511 -0.231 -4.865 380 HB2 LEU 44 HB2 LEU 44 1.293 1.637 -2.517 381 HB3 LEU 44 HB1 LEU 44 0.962 2.211 -4.149 382 HG LEU 44 HG LEU 44 -0.402 -0.200 -2.895 383 HD11 LEU 44 HD11 LEU 44 -0.874 1.960 -1.695 384 HD12 LEU 44 HD12 LEU 44 -2.297 1.244 -2.450 385 HD13 LEU 44 HD13 LEU 44 -1.492 2.614 -3.213 386 HD21 LEU 44 HD21 LEU 44 -0.765 -0.459 -5.192 387 HD22 LEU 44 HD22 LEU 44 -0.645 1.263 -5.530 388 HD23 LEU 44 HD23 LEU 44 -2.114 0.604 -4.814 389 H LEU 45 HN LEU 45 3.992 1.115 -2.721 390 HA LEU 45 HA LEU 45 5.096 2.915 -4.579 391 HB2 LEU 45 HB2 LEU 45 6.264 1.521 -2.185 392 HB3 LEU 45 HB1 LEU 45 7.165 2.705 -3.121 393 HG LEU 45 HG LEU 45 4.452 3.284 -1.899 394 HD11 LEU 45 HD11 LEU 45 7.240 3.661 -0.803 395 HD12 LEU 45 HD12 LEU 45 5.883 2.820 -0.053 396 HD13 LEU 45 HD13 LEU 45 5.859 4.577 -0.205 397 HD21 LEU 45 HD21 LEU 45 5.537 5.698 -2.105 398 HD22 LEU 45 HD22 LEU 45 4.821 4.953 -3.521 399 HD23 LEU 45 HD23 LEU 45 6.569 4.928 -3.311 400 H ILE 46 HN ILE 46 5.819 -0.478 -3.935 401 HA ILE 46 HA ILE 46 8.074 -0.667 -5.623 402 HB ILE 46 HB ILE 46 6.009 -2.695 -4.736 403 HG12 ILE 46 HG12 ILE 46 7.351 -1.766 -2.895 404 HG13 ILE 46 HG11 ILE 46 7.810 -3.434 -3.184 405 HG21 ILE 46 HG21 ILE 46 8.561 -3.037 -6.300 406 HG22 ILE 46 HG22 ILE 46 6.943 -3.611 -6.692 407 HG23 ILE 46 HG23 ILE 46 7.844 -4.352 -5.370 408 HD11 ILE 46 HD3 ILE 46 9.903 -2.473 -3.031 409 HD12 ILE 46 HD1 ILE 46 9.355 -0.921 -3.653 410 HD13 ILE 46 HD2 ILE 46 9.639 -2.260 -4.759 411 H ALA 47 HN ALA 47 4.630 -1.142 -6.107 412 HA ALA 47 HA ALA 47 4.655 -2.045 -8.760 413 HB1 ALA 47 HB1 ALA 47 2.663 -1.855 -7.135 414 HB2 ALA 47 HB2 ALA 47 2.351 -1.511 -8.836 415 HB3 ALA 47 HB3 ALA 47 2.536 -0.187 -7.689 416 H ILE 48 HN ILE 48 4.468 1.277 -7.494 417 HA ILE 48 HA ILE 48 4.374 2.592 -9.992 418 HB ILE 48 HB ILE 48 5.330 3.530 -7.281 419 HG12 ILE 48 HG12 ILE 48 2.782 4.166 -8.796 420 HG13 ILE 48 HG11 ILE 48 2.902 2.834 -7.642 421 HG21 ILE 48 HG21 ILE 48 4.917 5.024 -9.883 422 HG22 ILE 48 HG22 ILE 48 6.356 5.004 -8.862 423 HG23 ILE 48 HG23 ILE 48 4.897 5.828 -8.313 424 HD11 ILE 48 HD3 ILE 48 3.393 5.764 -7.049 425 HD12 ILE 48 HD1 ILE 48 3.635 4.452 -5.896 426 HD13 ILE 48 HD2 ILE 48 2.018 4.802 -6.506 427 H ILE 49 HN ILE 49 7.108 1.765 -7.891 428 HA ILE 49 HA ILE 49 9.096 2.982 -9.515 429 HB ILE 49 HB ILE 49 9.257 0.750 -7.508 430 HG12 ILE 49 HG12 ILE 49 8.629 2.929 -6.550 431 HG13 ILE 49 HG11 ILE 49 10.253 2.496 -6.043 432 HG21 ILE 49 HG21 ILE 49 11.450 2.147 -9.041 433 HG22 ILE 49 HG22 ILE 49 11.166 0.414 -8.873 434 HG23 ILE 49 HG23 ILE 49 11.751 1.349 -7.497 435 HD11 ILE 49 HD3 ILE 49 9.339 4.664 -7.883 436 HD12 ILE 49 HD1 ILE 49 10.904 3.927 -8.217 437 HD13 ILE 49 HD2 ILE 49 10.606 4.689 -6.661 438 H VAL 50 HN VAL 50 7.838 -0.304 -9.321 439 HA VAL 50 HA VAL 50 9.549 -1.421 -11.270 440 HB VAL 50 HB VAL 50 6.775 -2.211 -10.342 441 HG11 VAL 50 HG11 VAL 50 8.654 -3.560 -12.292 442 HG12 VAL 50 HG12 VAL 50 6.968 -3.114 -12.553 443 HG13 VAL 50 HG13 VAL 50 7.372 -4.429 -11.448 444 HG21 VAL 50 HG21 VAL 50 9.417 -3.617 -9.893 445 HG22 VAL 50 HG22 VAL 50 7.908 -3.822 -9.001 446 HG23 VAL 50 HG23 VAL 50 8.855 -2.343 -8.809 447 H MET 51 HN MET 51 6.308 0.024 -11.478 448 HA MET 51 HA MET 51 6.083 -0.288 -14.288 449 HB2 MET 51 HB2 MET 51 4.624 1.391 -12.259 450 HB3 MET 51 HB1 MET 51 4.281 1.539 -13.981 451 HG2 MET 51 HG2 MET 51 3.852 -0.936 -14.053 452 HG3 MET 51 HG1 MET 51 4.039 -0.977 -12.300 453 HE1 MET 51 HE1 MET 51 2.671 -0.045 -10.653 454 HE2 MET 51 HE2 MET 51 1.107 0.744 -10.821 455 HE3 MET 51 HE3 MET 51 2.572 1.650 -11.171 456 H LEU 52 HN LEU 52 7.580 2.144 -12.206 457 HA LEU 52 HA LEU 52 7.647 4.263 -14.033 458 HB2 LEU 52 HB2 LEU 52 8.243 4.533 -11.679 459 HB3 LEU 52 HB1 LEU 52 9.653 3.513 -11.906 460 HG LEU 52 HG LEU 52 10.620 5.138 -13.466 461 HD11 LEU 52 HD11 LEU 52 8.845 6.183 -14.582 462 HD12 LEU 52 HD12 LEU 52 9.375 7.455 -13.489 463 HD13 LEU 52 HD13 LEU 52 7.948 6.493 -13.095 464 HD21 LEU 52 HD21 LEU 52 9.633 6.335 -10.860 465 HD22 LEU 52 HD22 LEU 52 10.943 7.001 -11.832 466 HD23 LEU 52 HD23 LEU 52 11.114 5.408 -11.094 467 H LEU 53 HN LEU 53 9.830 1.508 -13.640 468 HA LEU 53 HA LEU 53 11.702 2.419 -15.590 469 HB2 LEU 53 HB2 LEU 53 11.249 -0.389 -14.566 470 HB3 LEU 53 HB1 LEU 53 12.688 0.213 -15.385 471 HG LEU 53 HG LEU 53 11.643 1.227 -12.721 472 HD11 LEU 53 HD11 LEU 53 13.536 0.051 -11.746 473 HD12 LEU 53 HD12 LEU 53 14.092 -0.458 -13.340 474 HD13 LEU 53 HD13 LEU 53 12.583 -1.095 -12.687 475 HD21 LEU 53 HD21 LEU 53 14.090 2.208 -12.751 476 HD22 LEU 53 HD22 LEU 53 12.834 3.040 -13.657 477 HD23 LEU 53 HD23 LEU 53 13.974 1.989 -14.499 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 16.331 23.336 10.454 2 H2 ALA 1 HT2 ALA 1 17.241 22.916 9.081 3 H3 ALA 1 HT3 ALA 1 15.560 23.135 8.960 4 HA ALA 1 HA ALA 1 17.677 25.079 8.889 5 HB1 ALA 1 HB1 ALA 1 15.840 26.358 7.755 6 HB2 ALA 1 HB2 ALA 1 14.750 25.018 8.109 7 HB3 ALA 1 HB3 ALA 1 16.133 24.772 7.042 8 H MET 2 HN MET 2 14.495 24.784 10.477 9 HA MET 2 HA MET 2 15.306 26.880 12.433 10 HB2 MET 2 HB2 MET 2 12.616 26.440 11.118 11 HB3 MET 2 HB1 MET 2 12.869 27.486 12.516 12 HG2 MET 2 HG2 MET 2 14.549 28.778 11.221 13 HG3 MET 2 HG1 MET 2 14.210 27.775 9.814 14 HE1 MET 2 HE1 MET 2 12.339 27.779 8.413 15 HE2 MET 2 HE2 MET 2 10.868 28.736 8.524 16 HE3 MET 2 HE3 MET 2 11.093 27.373 9.607 17 H GLU 3 HN GLU 3 14.680 26.567 14.548 18 HA GLU 3 HA GLU 3 14.483 23.885 15.441 19 HB2 GLU 3 HB2 GLU 3 15.479 25.779 16.746 20 HB3 GLU 3 HB1 GLU 3 13.848 26.394 17.008 21 HG2 GLU 3 HG2 GLU 3 14.434 25.090 18.944 22 HG3 GLU 3 HG1 GLU 3 13.259 24.152 18.030 23 H LYS 4 HN LYS 4 12.088 26.415 14.894 24 HA LYS 4 HA LYS 4 9.911 25.214 16.210 25 HB2 LYS 4 HB2 LYS 4 10.002 27.053 13.813 26 HB3 LYS 4 HB1 LYS 4 8.519 26.610 14.660 27 HG2 LYS 4 HG2 LYS 4 9.408 27.542 16.752 28 HG3 LYS 4 HG1 LYS 4 10.914 27.961 15.935 29 HD2 LYS 4 HD2 LYS 4 9.682 29.450 14.405 30 HD3 LYS 4 HD1 LYS 4 8.173 29.041 15.222 31 HE2 LYS 4 HE2 LYS 4 9.047 29.956 17.331 32 HE3 LYS 4 HE1 LYS 4 10.571 30.351 16.536 33 HZ1 LYS 4 HZ1 LYS 4 9.564 31.974 15.239 34 HZ2 LYS 4 HZ2 LYS 4 8.814 32.174 16.751 35 HZ3 LYS 4 HZ3 LYS 4 8.003 31.368 15.494 36 H VAL 5 HN VAL 5 11.119 24.930 12.933 37 HA VAL 5 HA VAL 5 9.073 23.216 11.972 38 HB VAL 5 HB VAL 5 11.890 23.705 10.998 39 HG11 VAL 5 HG11 VAL 5 9.627 22.071 9.822 40 HG12 VAL 5 HG12 VAL 5 11.276 21.546 10.159 41 HG13 VAL 5 HG13 VAL 5 10.963 22.684 8.849 42 HG21 VAL 5 HG21 VAL 5 9.190 24.618 9.951 43 HG22 VAL 5 HG22 VAL 5 10.768 25.073 9.311 44 HG23 VAL 5 HG23 VAL 5 10.279 25.613 10.918 45 H GLN 6 HN GLN 6 12.274 22.648 13.317 46 HA GLN 6 HA GLN 6 12.324 19.856 12.991 47 HB2 GLN 6 HB2 GLN 6 13.736 21.669 14.934 48 HB3 GLN 6 HB1 GLN 6 14.036 19.932 14.850 49 HG2 GLN 6 HG2 GLN 6 14.651 20.136 12.478 50 HG3 GLN 6 HG1 GLN 6 14.327 21.868 12.537 51 HE21 GLN 6 HE21 GLN 6 16.398 22.779 12.365 52 HE22 GLN 6 HE22 GLN 6 17.695 22.397 13.393 53 H TYR 7 HN TYR 7 11.221 21.845 15.712 54 HA TYR 7 HA TYR 7 10.681 19.709 17.464 55 HB2 TYR 7 HB2 TYR 7 10.739 21.950 18.331 56 HB3 TYR 7 HB1 TYR 7 9.440 22.462 17.256 57 HD1 TYR 7 HD2 TYR 7 10.247 20.184 20.096 58 HD2 TYR 7 HD1 TYR 7 7.155 22.183 17.880 59 HE1 TYR 7 HE2 TYR 7 8.583 19.508 21.804 60 HE2 TYR 7 HE1 TYR 7 5.490 21.503 19.592 61 HH TYR 7 HH TYR 7 6.065 19.130 21.866 62 H LEU 8 HN LEU 8 8.455 21.484 15.294 63 HA LEU 8 HA LEU 8 6.150 20.029 15.767 64 HB2 LEU 8 HB2 LEU 8 7.189 21.193 13.177 65 HB3 LEU 8 HB1 LEU 8 5.561 20.551 13.366 66 HG LEU 8 HG LEU 8 6.727 22.757 15.088 67 HD11 LEU 8 HD11 LEU 8 5.259 24.259 13.732 68 HD12 LEU 8 HD12 LEU 8 4.933 22.907 12.648 69 HD13 LEU 8 HD13 LEU 8 6.571 23.543 12.796 70 HD21 LEU 8 HD21 LEU 8 4.929 21.920 16.339 71 HD22 LEU 8 HD22 LEU 8 4.036 21.384 14.919 72 HD23 LEU 8 HD23 LEU 8 4.076 23.093 15.342 73 H THR 9 HN THR 9 8.923 19.222 13.726 74 HA THR 9 HA THR 9 7.826 16.927 12.500 75 HB THR 9 HB THR 9 10.736 17.280 13.246 76 HG1 THR 9 HG1 THR 9 10.135 18.054 10.764 77 HG21 THR 9 HG21 THR 9 10.176 15.103 12.339 78 HG22 THR 9 HG22 THR 9 11.040 16.029 11.112 79 HG23 THR 9 HG23 THR 9 9.288 15.849 11.011 80 H ARG 10 HN ARG 10 9.696 17.362 15.506 81 HA ARG 10 HA ARG 10 9.760 14.635 16.217 82 HB2 ARG 10 HB2 ARG 10 11.174 16.407 17.277 83 HB3 ARG 10 HB1 ARG 10 9.724 17.040 18.058 84 HG2 ARG 10 HG2 ARG 10 9.394 14.993 19.285 85 HG3 ARG 10 HG1 ARG 10 10.680 14.186 18.386 86 HD2 ARG 10 HD2 ARG 10 11.535 14.870 20.562 87 HD3 ARG 10 HD1 ARG 10 12.311 15.827 19.304 88 HE ARG 10 HE ARG 10 9.996 17.167 20.266 89 HH11 ARG 10 HH21 ARG 10 13.224 16.264 21.114 90 HH12 ARG 10 HH22 ARG 10 13.469 17.606 22.179 91 HH21 ARG 10 HH11 ARG 10 10.306 18.931 21.660 92 HH22 ARG 10 HH12 ARG 10 11.815 19.118 22.488 93 H SER 11 HN SER 11 7.530 17.270 16.906 94 HA SER 11 HA SER 11 5.782 15.888 18.595 95 HB2 SER 11 HB2 SER 11 4.986 18.001 16.582 96 HB3 SER 11 HB1 SER 11 4.134 17.569 18.058 97 HG SER 11 HG1 SER 11 5.343 19.170 18.791 98 H ALA 12 HN ALA 12 6.403 15.634 15.248 99 HA ALA 12 HA ALA 12 3.925 14.474 14.467 100 HB1 ALA 12 HB1 ALA 12 4.838 14.315 12.336 101 HB2 ALA 12 HB2 ALA 12 6.442 13.901 12.938 102 HB3 ALA 12 HB3 ALA 12 5.870 15.566 13.025 103 H ILE 13 HN ILE 13 7.034 13.253 15.543 104 HA ILE 13 HA ILE 13 6.445 10.526 15.044 105 HB ILE 13 HB ILE 13 8.757 11.773 15.640 106 HG12 ILE 13 HG12 ILE 13 9.591 9.354 16.396 107 HG13 ILE 13 HG11 ILE 13 7.934 8.887 16.014 108 HG21 ILE 13 HG21 ILE 13 7.835 12.041 18.084 109 HG22 ILE 13 HG22 ILE 13 9.507 11.561 17.857 110 HG23 ILE 13 HG23 ILE 13 8.291 10.353 18.265 111 HD11 ILE 13 HD3 ILE 13 9.795 10.333 14.103 112 HD12 ILE 13 HD1 ILE 13 8.189 9.711 13.725 113 HD13 ILE 13 HD2 ILE 13 9.501 8.595 14.090 114 H ARG 14 HN ARG 14 5.772 12.643 17.763 115 HA ARG 14 HA ARG 14 5.129 10.716 19.683 116 HB2 ARG 14 HB2 ARG 14 4.073 13.496 19.207 117 HB3 ARG 14 HB1 ARG 14 3.605 12.536 20.605 118 HG2 ARG 14 HG2 ARG 14 5.962 12.307 21.261 119 HG3 ARG 14 HG1 ARG 14 6.445 13.260 19.858 120 HD2 ARG 14 HD2 ARG 14 6.374 14.686 21.847 121 HD3 ARG 14 HD1 ARG 14 5.120 15.168 20.712 122 HE ARG 14 HE ARG 14 3.497 14.396 22.219 123 HH11 ARG 14 HH21 ARG 14 6.701 13.519 23.201 124 HH12 ARG 14 HH22 ARG 14 6.225 13.021 24.789 125 HH21 ARG 14 HH11 ARG 14 2.868 13.745 24.299 126 HH22 ARG 14 HH12 ARG 14 4.055 13.149 25.412 127 H ARG 15 HN ARG 15 3.165 12.213 17.241 128 HA ARG 15 HA ARG 15 0.608 11.369 17.625 129 HB2 ARG 15 HB2 ARG 15 2.098 11.205 15.002 130 HB3 ARG 15 HB1 ARG 15 0.349 11.301 15.205 131 HG2 ARG 15 HG2 ARG 15 0.551 13.476 16.279 132 HG3 ARG 15 HG1 ARG 15 2.309 13.380 16.178 133 HD2 ARG 15 HD2 ARG 15 1.517 14.748 14.337 134 HD3 ARG 15 HD1 ARG 15 2.115 13.222 13.692 135 HE ARG 15 HE ARG 15 -0.669 13.022 14.213 136 HH11 ARG 15 HH21 ARG 15 1.643 14.499 12.113 137 HH12 ARG 15 HH22 ARG 15 0.575 14.566 10.751 138 HH21 ARG 15 HH11 ARG 15 -2.084 13.103 12.436 139 HH22 ARG 15 HH12 ARG 15 -1.539 13.774 10.935 140 H ALA 16 HN ALA 16 3.401 9.408 17.080 141 HA ALA 16 HA ALA 16 1.709 6.974 16.909 142 HB1 ALA 16 HB1 ALA 16 2.997 7.512 14.801 143 HB2 ALA 16 HB2 ALA 16 3.325 5.931 15.509 144 HB3 ALA 16 HB3 ALA 16 4.469 7.254 15.738 145 H SER 17 HN SER 17 3.824 8.661 18.915 146 HA SER 17 HA SER 17 5.227 6.325 19.903 147 HB2 SER 17 HB2 SER 17 6.008 7.796 21.676 148 HB3 SER 17 HB1 SER 17 6.133 8.648 20.142 149 HG SER 17 HG1 SER 17 5.086 10.072 21.386 150 H THR 18 HN THR 18 3.210 8.489 21.879 151 HA THR 18 HA THR 18 1.771 6.160 22.973 152 HB THR 18 HB THR 18 3.050 7.053 24.754 153 HG1 THR 18 HG1 THR 18 0.402 7.629 24.615 154 HG21 THR 18 HG21 THR 18 3.900 9.050 23.722 155 HG22 THR 18 HG22 THR 18 3.081 9.528 25.209 156 HG23 THR 18 HG23 THR 18 2.287 9.761 23.652 157 H ILE 19 HN ILE 19 1.693 9.098 21.409 158 HA ILE 19 HA ILE 19 -0.680 10.256 22.015 159 HB ILE 19 HB ILE 19 0.430 9.876 19.299 160 HG12 ILE 19 HG12 ILE 19 1.847 11.060 20.928 161 HG13 ILE 19 HG11 ILE 19 1.329 12.159 19.666 162 HG21 ILE 19 HG21 ILE 19 -1.701 10.557 18.655 163 HG22 ILE 19 HG22 ILE 19 -1.048 12.149 19.033 164 HG23 ILE 19 HG23 ILE 19 -2.045 11.314 20.210 165 HD11 ILE 19 HD3 ILE 19 -0.643 12.577 21.501 166 HD12 ILE 19 HD1 ILE 19 0.859 13.499 21.458 167 HD13 ILE 19 HD2 ILE 19 0.687 12.138 22.560 168 H GLU 20 HN GLU 20 -2.663 10.151 21.728 169 HA GLU 20 HA GLU 20 -4.243 8.506 20.119 170 HB2 GLU 20 HB2 GLU 20 -5.008 6.892 21.754 171 HB3 GLU 20 HB1 GLU 20 -3.267 6.776 21.583 172 HG2 GLU 20 HG2 GLU 20 -3.752 8.672 23.710 173 HG3 GLU 20 HG1 GLU 20 -4.786 7.282 24.021 174 H MET 21 HN MET 21 -5.794 8.308 22.965 175 HA MET 21 HA MET 21 -6.455 11.037 23.485 176 HB2 MET 21 HB2 MET 21 -7.931 9.705 21.421 177 HB3 MET 21 HB1 MET 21 -9.034 9.904 22.767 178 HG2 MET 21 HG2 MET 21 -8.552 12.332 22.815 179 HG3 MET 21 HG1 MET 21 -7.404 12.140 21.489 180 HE1 MET 21 HE1 MET 21 -9.316 11.674 18.384 181 HE2 MET 21 HE2 MET 21 -8.251 10.615 19.297 182 HE3 MET 21 HE3 MET 21 -7.888 12.333 19.201 183 HA PRO 22 HA PRO 22 -8.627 8.380 26.670 184 HB2 PRO 22 HB2 PRO 22 -9.482 5.839 26.147 185 HB3 PRO 22 HB1 PRO 22 -10.366 7.286 25.612 186 HG2 PRO 22 HG2 PRO 22 -8.918 5.352 23.968 187 HG3 PRO 22 HG1 PRO 22 -9.987 6.671 23.453 188 HD2 PRO 22 HD2 PRO 22 -7.018 6.648 23.597 189 HD3 PRO 22 HD1 PRO 22 -8.080 7.754 22.713 190 H GLN 23 HN GLN 23 -7.407 5.305 25.345 191 HA GLN 23 HA GLN 23 -5.284 5.254 27.441 192 HB2 GLN 23 HB2 GLN 23 -7.122 2.994 26.606 193 HB3 GLN 23 HB1 GLN 23 -5.750 2.838 27.702 194 HG2 GLN 23 HG2 GLN 23 -8.108 4.685 28.173 195 HG3 GLN 23 HG1 GLN 23 -7.921 3.093 28.904 196 HE21 GLN 23 HE21 GLN 23 -7.379 6.350 29.509 197 HE22 GLN 23 HE22 GLN 23 -6.152 6.198 30.672 198 H GLN 24 HN GLN 24 -4.968 2.385 26.168 199 HA GLN 24 HA GLN 24 -3.051 3.248 24.124 200 HB2 GLN 24 HB2 GLN 24 -3.336 0.673 25.695 201 HB3 GLN 24 HB1 GLN 24 -2.147 0.936 24.419 202 HG2 GLN 24 HG2 GLN 24 -1.183 2.817 25.659 203 HG3 GLN 24 HG1 GLN 24 -2.405 2.638 26.914 204 HE21 GLN 24 HE21 GLN 24 0.779 1.886 26.267 205 HE22 GLN 24 HE22 GLN 24 0.941 0.517 27.258 206 H ALA 25 HN ALA 25 -6.086 1.435 24.582 207 HA ALA 25 HA ALA 25 -6.063 -0.237 22.484 208 HB1 ALA 25 HB1 ALA 25 -8.424 1.445 23.264 209 HB2 ALA 25 HB2 ALA 25 -7.851 0.074 24.214 210 HB3 ALA 25 HB3 ALA 25 -8.432 -0.175 22.568 211 H ARG 26 HN ARG 26 -7.189 3.129 22.340 212 HA ARG 26 HA ARG 26 -7.810 3.080 19.635 213 HB2 ARG 26 HB2 ARG 26 -6.736 5.365 21.278 214 HB3 ARG 26 HB1 ARG 26 -7.250 5.552 19.604 215 HG2 ARG 26 HG2 ARG 26 -9.077 4.323 21.671 216 HG3 ARG 26 HG1 ARG 26 -8.981 6.054 21.453 217 HD2 ARG 26 HD2 ARG 26 -9.508 5.682 18.998 218 HD3 ARG 26 HD1 ARG 26 -9.872 4.012 19.404 219 HE ARG 26 HE ARG 26 -11.440 6.361 20.126 220 HH11 ARG 26 HH21 ARG 26 -10.776 2.993 20.595 221 HH12 ARG 26 HH22 ARG 26 -12.324 2.647 21.291 222 HH21 ARG 26 HH11 ARG 26 -13.464 5.913 21.035 223 HH22 ARG 26 HH12 ARG 26 -13.847 4.302 21.541 224 H GLN 27 HN GLN 27 -4.551 3.729 21.074 225 HA GLN 27 HA GLN 27 -3.337 4.144 18.582 226 HB2 GLN 27 HB2 GLN 27 -2.311 4.759 20.753 227 HB3 GLN 27 HB1 GLN 27 -2.155 3.047 21.143 228 HG2 GLN 27 HG2 GLN 27 -0.029 3.881 20.273 229 HG3 GLN 27 HG1 GLN 27 -0.720 2.749 19.120 230 HE21 GLN 27 HE21 GLN 27 0.126 3.652 17.175 231 HE22 GLN 27 HE22 GLN 27 -0.240 5.225 16.649 232 H ASN 28 HN ASN 28 -4.129 1.241 20.482 233 HA ASN 28 HA ASN 28 -2.550 -0.568 18.942 234 HB2 ASN 28 HB2 ASN 28 -5.070 -1.066 20.528 235 HB3 ASN 28 HB1 ASN 28 -4.074 -2.334 19.821 236 HD21 ASN 28 HD21 ASN 28 -1.619 -0.483 20.464 237 HD22 ASN 28 HD22 ASN 28 -1.343 -0.791 22.107 238 H LEU 29 HN LEU 29 -5.965 0.312 18.639 239 HA LEU 29 HA LEU 29 -6.504 -1.326 16.369 240 HB2 LEU 29 HB2 LEU 29 -7.890 1.285 17.030 241 HB3 LEU 29 HB1 LEU 29 -8.537 -0.075 16.110 242 HG LEU 29 HG LEU 29 -7.728 -0.173 18.996 243 HD11 LEU 29 HD11 LEU 29 -9.740 1.239 18.564 244 HD12 LEU 29 HD12 LEU 29 -10.118 -0.203 19.507 245 HD13 LEU 29 HD13 LEU 29 -10.506 -0.148 17.788 246 HD21 LEU 29 HD21 LEU 29 -9.169 -2.351 18.803 247 HD22 LEU 29 HD22 LEU 29 -7.525 -2.381 18.180 248 HD23 LEU 29 HD23 LEU 29 -8.882 -2.192 17.069 249 H GLN 30 HN GLN 30 -5.465 1.969 16.858 250 HA GLN 30 HA GLN 30 -5.491 2.645 14.078 251 HB2 GLN 30 HB2 GLN 30 -4.176 3.942 16.447 252 HB3 GLN 30 HB1 GLN 30 -4.054 4.592 14.820 253 HG2 GLN 30 HG2 GLN 30 -6.473 4.799 14.672 254 HG3 GLN 30 HG1 GLN 30 -6.667 4.038 16.248 255 HE21 GLN 30 HE21 GLN 30 -7.287 6.892 15.225 256 HE22 GLN 30 HE22 GLN 30 -6.540 7.898 16.371 257 H ASN 31 HN ASN 31 -3.211 1.095 16.201 258 HA ASN 31 HA ASN 31 -0.887 1.501 14.649 259 HB2 ASN 31 HB2 ASN 31 -0.779 0.657 16.955 260 HB3 ASN 31 HB1 ASN 31 -1.595 -0.819 16.455 261 HD21 ASN 31 HD21 ASN 31 0.178 -2.248 16.873 262 HD22 ASN 31 HD22 ASN 31 1.624 -2.183 15.985 263 H LEU 32 HN LEU 32 -3.414 -0.908 14.631 264 HA LEU 32 HA LEU 32 -2.330 -2.612 12.689 265 HB2 LEU 32 HB2 LEU 32 -5.183 -2.090 13.532 266 HB3 LEU 32 HB1 LEU 32 -4.729 -3.354 12.395 267 HG LEU 32 HG LEU 32 -3.580 -3.123 15.190 268 HD11 LEU 32 HD11 LEU 32 -6.041 -3.484 15.222 269 HD12 LEU 32 HD12 LEU 32 -5.149 -4.868 15.852 270 HD13 LEU 32 HD13 LEU 32 -5.823 -4.922 14.223 271 HD21 LEU 32 HD21 LEU 32 -2.099 -4.510 13.999 272 HD22 LEU 32 HD22 LEU 32 -3.359 -5.143 12.943 273 HD23 LEU 32 HD23 LEU 32 -3.241 -5.702 14.608 274 H PHE 33 HN PHE 33 -4.477 0.180 12.511 275 HA PHE 33 HA PHE 33 -4.936 0.064 9.719 276 HB2 PHE 33 HB2 PHE 33 -6.286 1.465 11.233 277 HB3 PHE 33 HB1 PHE 33 -4.879 2.482 11.545 278 HD1 PHE 33 HD2 PHE 33 -7.059 1.220 8.768 279 HD2 PHE 33 HD1 PHE 33 -4.371 4.291 10.116 280 HE1 PHE 33 HE2 PHE 33 -7.569 2.562 6.744 281 HE2 PHE 33 HE1 PHE 33 -4.883 5.628 8.094 282 HZ PHE 33 HZ PHE 33 -6.481 4.765 6.407 283 H ILE 34 HN ILE 34 -2.633 1.855 11.669 284 HA ILE 34 HA ILE 34 -1.241 3.063 9.508 285 HB ILE 34 HB ILE 34 -0.353 2.437 12.328 286 HG12 ILE 34 HG12 ILE 34 -2.165 4.097 12.142 287 HG13 ILE 34 HG11 ILE 34 -0.678 4.864 12.672 288 HG21 ILE 34 HG21 ILE 34 1.437 4.210 11.802 289 HG22 ILE 34 HG22 ILE 34 1.093 3.874 10.106 290 HG23 ILE 34 HG23 ILE 34 1.690 2.589 11.156 291 HD11 ILE 34 HD3 ILE 34 -1.291 6.372 11.045 292 HD12 ILE 34 HD1 ILE 34 -2.179 5.172 10.116 293 HD13 ILE 34 HD2 ILE 34 -0.426 5.251 10.001 294 H ASN 35 HN ASN 35 -0.606 0.073 11.323 295 HA ASN 35 HA ASN 35 1.721 -0.625 9.876 296 HB2 ASN 35 HB2 ASN 35 -0.211 -2.183 11.589 297 HB3 ASN 35 HB1 ASN 35 1.118 -2.983 10.753 298 HD21 ASN 35 HD21 ASN 35 1.005 -2.915 13.603 299 HD22 ASN 35 HD22 ASN 35 2.277 -1.942 14.167 300 H PHE 36 HN PHE 36 -1.686 -1.459 9.622 301 HA PHE 36 HA PHE 36 -1.416 -3.184 7.413 302 HB2 PHE 36 HB2 PHE 36 -3.377 -3.253 8.855 303 HB3 PHE 36 HB1 PHE 36 -3.832 -1.631 8.325 304 HD1 PHE 36 HD2 PHE 36 -2.968 -4.995 6.906 305 HD2 PHE 36 HD1 PHE 36 -5.315 -1.417 6.517 306 HE1 PHE 36 HE2 PHE 36 -4.139 -5.975 4.954 307 HE2 PHE 36 HE1 PHE 36 -6.485 -2.400 4.565 308 HZ PHE 36 HZ PHE 36 -5.898 -4.679 3.784 309 H ALA 37 HN ALA 37 -1.838 0.290 7.637 310 HA ALA 37 HA ALA 37 -2.474 0.635 4.872 311 HB1 ALA 37 HB1 ALA 37 -2.072 3.035 5.341 312 HB2 ALA 37 HB2 ALA 37 -1.476 2.605 6.944 313 HB3 ALA 37 HB3 ALA 37 -3.161 2.306 6.521 314 H LEU 38 HN LEU 38 0.389 0.639 6.857 315 HA LEU 38 HA LEU 38 2.213 1.673 4.970 316 HB2 LEU 38 HB2 LEU 38 2.506 -0.052 7.413 317 HB3 LEU 38 HB1 LEU 38 3.908 0.288 6.406 318 HG LEU 38 HG LEU 38 2.119 2.486 7.479 319 HD11 LEU 38 HD11 LEU 38 3.938 2.779 9.223 320 HD12 LEU 38 HD12 LEU 38 4.539 1.189 8.755 321 HD13 LEU 38 HD13 LEU 38 2.919 1.354 9.434 322 HD21 LEU 38 HD21 LEU 38 4.866 2.373 6.191 323 HD22 LEU 38 HD22 LEU 38 4.431 3.721 7.233 324 HD23 LEU 38 HD23 LEU 38 3.500 3.405 5.782 325 H ILE 39 HN ILE 39 1.035 -1.601 5.574 326 HA ILE 39 HA ILE 39 2.856 -2.906 3.818 327 HB ILE 39 HB ILE 39 0.082 -3.671 4.769 328 HG12 ILE 39 HG12 ILE 39 2.800 -4.758 5.558 329 HG13 ILE 39 HG11 ILE 39 1.988 -3.462 6.439 330 HG21 ILE 39 HG21 ILE 39 0.869 -6.000 4.050 331 HG22 ILE 39 HG22 ILE 39 2.126 -5.180 3.123 332 HG23 ILE 39 HG23 ILE 39 0.428 -4.898 2.747 333 HD11 ILE 39 HD3 ILE 39 0.877 -6.243 5.965 334 HD12 ILE 39 HD1 ILE 39 0.041 -4.943 6.814 335 HD13 ILE 39 HD2 ILE 39 1.516 -5.632 7.492 336 H LEU 40 HN LEU 40 -0.401 -1.607 3.444 337 HA LEU 40 HA LEU 40 -0.710 -2.311 0.698 338 HB2 LEU 40 HB2 LEU 40 -2.051 -0.156 2.345 339 HB3 LEU 40 HB1 LEU 40 -2.516 -0.558 0.695 340 HG LEU 40 HG LEU 40 -2.472 -2.546 2.983 341 HD11 LEU 40 HD11 LEU 40 -4.669 -0.795 1.875 342 HD12 LEU 40 HD12 LEU 40 -4.216 -1.076 3.556 343 HD13 LEU 40 HD13 LEU 40 -5.041 -2.338 2.645 344 HD21 LEU 40 HD21 LEU 40 -2.374 -3.884 1.068 345 HD22 LEU 40 HD22 LEU 40 -3.190 -2.699 0.051 346 HD23 LEU 40 HD23 LEU 40 -4.118 -3.679 1.182 347 H ILE 41 HN ILE 41 0.261 0.662 2.298 348 HA ILE 41 HA ILE 41 0.687 2.202 -0.014 349 HB ILE 41 HB ILE 41 1.835 2.362 2.769 350 HG12 ILE 41 HG12 ILE 41 -0.116 4.197 1.363 351 HG13 ILE 41 HG11 ILE 41 -0.652 2.778 2.259 352 HG21 ILE 41 HG21 ILE 41 2.244 4.157 0.389 353 HG22 ILE 41 HG22 ILE 41 3.462 3.447 1.446 354 HG23 ILE 41 HG23 ILE 41 2.426 4.739 2.043 355 HD11 ILE 41 HD3 ILE 41 0.999 5.056 3.387 356 HD12 ILE 41 HD1 ILE 41 0.482 3.628 4.284 357 HD13 ILE 41 HD2 ILE 41 -0.715 4.780 3.690 358 H PHE 42 HN PHE 42 2.959 0.215 1.887 359 HA PHE 42 HA PHE 42 5.267 0.767 0.401 360 HB2 PHE 42 HB2 PHE 42 5.335 -0.402 2.538 361 HB3 PHE 42 HB1 PHE 42 4.489 -1.779 1.833 362 HD1 PHE 42 HD1 PHE 42 7.509 0.362 1.218 363 HD2 PHE 42 HD2 PHE 42 5.769 -3.561 0.991 364 HE1 PHE 42 HE1 PHE 42 9.679 -0.557 0.439 365 HE2 PHE 42 HE2 PHE 42 7.938 -4.476 0.213 366 HZ PHE 42 HZ PHE 42 9.892 -2.976 -0.062 367 H LEU 43 HN LEU 43 2.825 -1.764 -0.055 368 HA LEU 43 HA LEU 43 4.054 -3.031 -2.255 369 HB2 LEU 43 HB2 LEU 43 1.181 -2.901 -1.352 370 HB3 LEU 43 HB1 LEU 43 1.711 -3.892 -2.705 371 HG LEU 43 HG LEU 43 2.945 -4.100 0.056 372 HD11 LEU 43 HD11 LEU 43 1.487 -6.170 0.264 373 HD12 LEU 43 HD12 LEU 43 0.575 -5.574 -1.122 374 HD13 LEU 43 HD13 LEU 43 0.627 -4.632 0.369 375 HD21 LEU 43 HD21 LEU 43 4.389 -5.183 -1.483 376 HD22 LEU 43 HD22 LEU 43 3.060 -5.756 -2.484 377 HD23 LEU 43 HD23 LEU 43 3.374 -6.506 -0.925 378 H LEU 44 HN LEU 44 1.737 -0.371 -2.046 379 HA LEU 44 HA LEU 44 1.225 -0.161 -4.816 380 HB2 LEU 44 HB2 LEU 44 1.040 1.831 -2.563 381 HB3 LEU 44 HB1 LEU 44 0.583 2.236 -4.213 382 HG LEU 44 HG LEU 44 -0.571 -0.141 -2.726 383 HD11 LEU 44 HD11 LEU 44 -1.168 1.800 -1.435 384 HD12 LEU 44 HD12 LEU 44 -2.578 1.353 -2.395 385 HD13 LEU 44 HD13 LEU 44 -1.569 2.713 -2.891 386 HD21 LEU 44 HD21 LEU 44 -2.481 0.432 -4.467 387 HD22 LEU 44 HD22 LEU 44 -1.064 -0.442 -5.020 388 HD23 LEU 44 HD23 LEU 44 -1.201 1.286 -5.326 389 H LEU 45 HN LEU 45 3.693 1.227 -2.727 390 HA LEU 45 HA LEU 45 4.772 2.988 -4.665 391 HB2 LEU 45 HB2 LEU 45 5.751 1.888 -2.062 392 HB3 LEU 45 HB1 LEU 45 6.967 2.563 -3.135 393 HG LEU 45 HG LEU 45 5.530 4.667 -3.256 394 HD11 LEU 45 HD11 LEU 45 3.779 5.013 -1.707 395 HD12 LEU 45 HD12 LEU 45 4.216 3.597 -0.761 396 HD13 LEU 45 HD13 LEU 45 3.469 3.402 -2.344 397 HD21 LEU 45 HD21 LEU 45 7.547 4.515 -1.859 398 HD22 LEU 45 HD22 LEU 45 6.603 3.793 -0.555 399 HD23 LEU 45 HD23 LEU 45 6.305 5.462 -1.040 400 H ILE 46 HN ILE 46 5.443 -0.397 -3.950 401 HA ILE 46 HA ILE 46 7.684 -0.647 -5.645 402 HB ILE 46 HB ILE 46 5.624 -2.642 -4.681 403 HG12 ILE 46 HG12 ILE 46 8.520 -2.244 -3.876 404 HG13 ILE 46 HG11 ILE 46 7.173 -1.493 -3.023 405 HG21 ILE 46 HG21 ILE 46 7.444 -4.307 -5.338 406 HG22 ILE 46 HG22 ILE 46 8.149 -3.001 -6.292 407 HG23 ILE 46 HG23 ILE 46 6.530 -3.589 -6.661 408 HD11 ILE 46 HD3 ILE 46 8.082 -3.773 -2.144 409 HD12 ILE 46 HD1 ILE 46 7.195 -4.475 -3.498 410 HD13 ILE 46 HD2 ILE 46 6.338 -3.555 -2.262 411 H ALA 47 HN ALA 47 4.225 -1.103 -6.119 412 HA ALA 47 HA ALA 47 4.314 -1.989 -8.798 413 HB1 ALA 47 HB1 ALA 47 2.351 -2.055 -7.149 414 HB2 ALA 47 HB2 ALA 47 1.982 -1.692 -8.834 415 HB3 ALA 47 HB3 ALA 47 2.041 -0.391 -7.645 416 H ILE 48 HN ILE 48 3.750 1.294 -7.486 417 HA ILE 48 HA ILE 48 3.525 2.568 -10.001 418 HB ILE 48 HB ILE 48 4.326 3.624 -7.291 419 HG12 ILE 48 HG12 ILE 48 2.040 2.734 -7.387 420 HG13 ILE 48 HG11 ILE 48 1.998 4.484 -7.246 421 HG21 ILE 48 HG21 ILE 48 5.186 5.225 -8.802 422 HG22 ILE 48 HG22 ILE 48 3.616 5.864 -8.314 423 HG23 ILE 48 HG23 ILE 48 3.800 5.078 -9.883 424 HD11 ILE 48 HD3 ILE 48 1.204 2.733 -9.531 425 HD12 ILE 48 HD1 ILE 48 1.897 4.304 -9.933 426 HD13 ILE 48 HD2 ILE 48 0.450 4.208 -8.936 427 H ILE 49 HN ILE 49 6.327 2.131 -7.871 428 HA ILE 49 HA ILE 49 8.132 3.591 -9.510 429 HB ILE 49 HB ILE 49 8.593 1.459 -7.449 430 HG12 ILE 49 HG12 ILE 49 7.660 3.573 -6.582 431 HG13 ILE 49 HG11 ILE 49 9.311 3.354 -6.027 432 HG21 ILE 49 HG21 ILE 49 10.982 2.386 -7.447 433 HG22 ILE 49 HG22 ILE 49 10.587 3.090 -9.015 434 HG23 ILE 49 HG23 ILE 49 10.536 1.341 -8.795 435 HD11 ILE 49 HD3 ILE 49 8.181 5.349 -7.941 436 HD12 ILE 49 HD1 ILE 49 9.831 4.806 -8.232 437 HD13 ILE 49 HD2 ILE 49 9.412 5.559 -6.702 438 H VAL 50 HN VAL 50 7.360 0.157 -9.284 439 HA VAL 50 HA VAL 50 9.252 -0.707 -11.198 440 HB VAL 50 HB VAL 50 6.647 -1.901 -10.220 441 HG11 VAL 50 HG11 VAL 50 8.637 -2.979 -12.234 442 HG12 VAL 50 HG12 VAL 50 6.895 -2.792 -12.433 443 HG13 VAL 50 HG13 VAL 50 7.530 -4.021 -11.340 444 HG21 VAL 50 HG21 VAL 50 8.037 -3.294 -8.893 445 HG22 VAL 50 HG22 VAL 50 8.804 -1.712 -8.774 446 HG23 VAL 50 HG23 VAL 50 9.472 -2.934 -9.852 447 H MET 51 HN MET 51 5.837 0.225 -11.456 448 HA MET 51 HA MET 51 5.686 -0.177 -14.267 449 HB2 MET 51 HB2 MET 51 3.969 1.303 -12.284 450 HB3 MET 51 HB1 MET 51 3.619 1.360 -14.010 451 HG2 MET 51 HG2 MET 51 3.594 -1.165 -14.013 452 HG3 MET 51 HG1 MET 51 3.727 -1.111 -12.256 453 HE1 MET 51 HE1 MET 51 0.518 0.243 -10.944 454 HE2 MET 51 HE2 MET 51 1.843 1.339 -11.314 455 HE3 MET 51 HE3 MET 51 2.196 -0.269 -10.697 456 H LEU 52 HN LEU 52 6.807 2.457 -12.227 457 HA LEU 52 HA LEU 52 6.567 4.556 -14.069 458 HB2 LEU 52 HB2 LEU 52 7.157 4.885 -11.694 459 HB3 LEU 52 HB1 LEU 52 8.727 4.151 -11.998 460 HG LEU 52 HG LEU 52 9.263 5.947 -13.613 461 HD11 LEU 52 HD11 LEU 52 7.625 8.019 -13.397 462 HD12 LEU 52 HD12 LEU 52 6.436 6.786 -12.980 463 HD13 LEU 52 HD13 LEU 52 7.260 6.726 -14.538 464 HD21 LEU 52 HD21 LEU 52 9.426 7.785 -11.933 465 HD22 LEU 52 HD22 LEU 52 9.909 6.225 -11.268 466 HD23 LEU 52 HD23 LEU 52 8.322 6.895 -10.885 467 H LEU 53 HN LEU 53 9.091 2.118 -13.684 468 HA LEU 53 HA LEU 53 10.957 3.205 -15.488 469 HB2 LEU 53 HB2 LEU 53 10.432 0.280 -14.924 470 HB3 LEU 53 HB1 LEU 53 11.916 0.975 -15.573 471 HG LEU 53 HG LEU 53 10.751 1.608 -12.845 472 HD11 LEU 53 HD11 LEU 53 12.773 0.329 -12.048 473 HD12 LEU 53 HD12 LEU 53 13.039 -0.181 -13.715 474 HD13 LEU 53 HD13 LEU 53 11.570 -0.666 -12.869 475 HD21 LEU 53 HD21 LEU 53 13.193 2.548 -14.372 476 HD22 LEU 53 HD22 LEU 53 13.215 2.512 -12.608 477 HD23 LEU 53 HD23 LEU 53 12.031 3.502 -13.450 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -41.338 9.087 15.022 2 H2 ALA 1 HT2 ALA 1 -41.578 8.104 16.388 3 H3 ALA 1 HT3 ALA 1 -41.585 7.423 14.831 4 HA ALA 1 HA ALA 1 -39.460 7.475 16.487 5 HB1 ALA 1 HB1 ALA 1 -38.268 6.596 14.625 6 HB2 ALA 1 HB2 ALA 1 -39.232 7.518 13.471 7 HB3 ALA 1 HB3 ALA 1 -39.951 6.160 14.337 8 H MET 2 HN MET 2 -37.896 8.861 17.055 9 HA MET 2 HA MET 2 -37.958 11.576 16.114 10 HB2 MET 2 HB2 MET 2 -36.108 10.148 18.023 11 HB3 MET 2 HB1 MET 2 -36.046 11.876 17.687 12 HG2 MET 2 HG2 MET 2 -38.382 12.118 18.428 13 HG3 MET 2 HG1 MET 2 -38.455 10.395 18.779 14 HE1 MET 2 HE1 MET 2 -36.854 9.198 20.003 15 HE2 MET 2 HE2 MET 2 -37.563 9.532 21.572 16 HE3 MET 2 HE3 MET 2 -35.836 9.764 21.339 17 H GLU 3 HN GLU 3 -36.225 12.716 15.157 18 HA GLU 3 HA GLU 3 -35.051 11.504 12.922 19 HB2 GLU 3 HB2 GLU 3 -34.293 14.011 14.416 20 HB3 GLU 3 HB1 GLU 3 -33.619 13.545 12.854 21 HG2 GLU 3 HG2 GLU 3 -35.840 13.545 11.846 22 HG3 GLU 3 HG1 GLU 3 -36.570 13.921 13.406 23 H LYS 4 HN LYS 4 -33.484 12.439 15.975 24 HA LYS 4 HA LYS 4 -31.545 11.772 16.959 25 HB2 LYS 4 HB2 LYS 4 -32.534 9.279 15.636 26 HB3 LYS 4 HB1 LYS 4 -31.115 9.271 16.678 27 HG2 LYS 4 HG2 LYS 4 -33.714 10.459 17.651 28 HG3 LYS 4 HG1 LYS 4 -33.475 8.717 17.702 29 HD2 LYS 4 HD2 LYS 4 -31.421 9.045 19.054 30 HD3 LYS 4 HD1 LYS 4 -31.691 10.783 19.037 31 HE2 LYS 4 HE2 LYS 4 -33.888 10.450 20.129 32 HE3 LYS 4 HE1 LYS 4 -33.576 8.715 20.187 33 HZ1 LYS 4 HZ1 LYS 4 -31.658 9.112 21.563 34 HZ2 LYS 4 HZ2 LYS 4 -33.014 9.855 22.270 35 HZ3 LYS 4 HZ3 LYS 4 -31.861 10.789 21.439 36 H VAL 5 HN VAL 5 -31.767 12.129 13.705 37 HA VAL 5 HA VAL 5 -29.238 11.066 12.888 38 HB VAL 5 HB VAL 5 -31.272 11.528 11.378 39 HG11 VAL 5 HG11 VAL 5 -31.675 13.697 10.570 40 HG12 VAL 5 HG12 VAL 5 -30.116 14.307 11.126 41 HG13 VAL 5 HG13 VAL 5 -31.394 13.970 12.288 42 HG21 VAL 5 HG21 VAL 5 -28.457 12.408 10.695 43 HG22 VAL 5 HG22 VAL 5 -29.729 12.291 9.479 44 HG23 VAL 5 HG23 VAL 5 -29.219 10.853 10.363 45 H GLN 6 HN GLN 6 -30.551 14.077 13.982 46 HA GLN 6 HA GLN 6 -28.299 15.715 13.490 47 HB2 GLN 6 HB2 GLN 6 -30.600 16.553 13.962 48 HB3 GLN 6 HB1 GLN 6 -30.388 16.059 15.643 49 HG2 GLN 6 HG2 GLN 6 -29.856 18.417 15.468 50 HG3 GLN 6 HG1 GLN 6 -28.359 17.540 15.764 51 HE21 GLN 6 HE21 GLN 6 -26.683 17.956 14.310 52 HE22 GLN 6 HE22 GLN 6 -26.878 18.684 12.790 53 H TYR 7 HN TYR 7 -29.297 13.855 16.340 54 HA TYR 7 HA TYR 7 -27.254 14.729 18.064 55 HB2 TYR 7 HB2 TYR 7 -29.167 13.510 18.928 56 HB3 TYR 7 HB1 TYR 7 -28.730 12.087 17.977 57 HD1 TYR 7 HD1 TYR 7 -27.552 14.334 20.720 58 HD2 TYR 7 HD2 TYR 7 -27.144 10.514 18.792 59 HE1 TYR 7 HE1 TYR 7 -26.076 13.557 22.560 60 HE2 TYR 7 HE2 TYR 7 -25.673 9.742 20.631 61 HH TYR 7 HH TYR 7 -24.461 10.408 22.412 62 H LEU 8 HN LEU 8 -27.440 11.830 16.011 63 HA LEU 8 HA LEU 8 -24.944 10.742 16.536 64 HB2 LEU 8 HB2 LEU 8 -26.496 10.826 13.941 65 HB3 LEU 8 HB1 LEU 8 -25.056 9.846 14.174 66 HG LEU 8 HG LEU 8 -27.517 9.656 15.932 67 HD11 LEU 8 HD11 LEU 8 -27.989 9.054 13.559 68 HD12 LEU 8 HD12 LEU 8 -28.127 7.680 14.656 69 HD13 LEU 8 HD13 LEU 8 -26.700 7.850 13.635 70 HD21 LEU 8 HD21 LEU 8 -24.900 8.148 15.742 71 HD22 LEU 8 HD22 LEU 8 -26.341 7.281 16.253 72 HD23 LEU 8 HD23 LEU 8 -25.782 8.669 17.176 73 H THR 9 HN THR 9 -25.815 13.394 14.349 74 HA THR 9 HA THR 9 -23.278 13.695 13.123 75 HB THR 9 HB THR 9 -25.284 15.902 13.648 76 HG1 THR 9 HG1 THR 9 -25.204 13.817 11.747 77 HG21 THR 9 HG21 THR 9 -23.239 15.438 11.465 78 HG22 THR 9 HG22 THR 9 -23.117 16.626 12.763 79 HG23 THR 9 HG23 THR 9 -24.369 16.792 11.532 80 H ARG 10 HN ARG 10 -24.720 15.283 15.992 81 HA ARG 10 HA ARG 10 -22.522 16.961 16.542 82 HB2 ARG 10 HB2 ARG 10 -24.773 17.205 17.586 83 HB3 ARG 10 HB1 ARG 10 -24.457 15.745 18.522 84 HG2 ARG 10 HG2 ARG 10 -22.507 16.799 19.575 85 HG3 ARG 10 HG1 ARG 10 -22.753 18.255 18.607 86 HD2 ARG 10 HD2 ARG 10 -25.022 18.489 19.626 87 HD3 ARG 10 HD1 ARG 10 -24.658 17.130 20.682 88 HE ARG 10 HE ARG 10 -23.573 19.833 20.870 89 HH11 ARG 10 HH21 ARG 10 -23.366 16.498 21.780 90 HH12 ARG 10 HH22 ARG 10 -22.438 16.809 23.209 91 HH21 ARG 10 HH11 ARG 10 -22.358 20.239 22.744 92 HH22 ARG 10 HH12 ARG 10 -21.871 18.923 23.759 93 H SER 11 HN SER 11 -23.325 13.699 17.611 94 HA SER 11 HA SER 11 -21.064 13.371 19.296 95 HB2 SER 11 HB2 SER 11 -21.588 10.964 19.133 96 HB3 SER 11 HB1 SER 11 -23.013 11.930 19.491 97 HG SER 11 HG1 SER 11 -23.604 10.626 17.827 98 H ALA 12 HN ALA 12 -21.597 13.182 15.954 99 HA ALA 12 HA ALA 12 -19.430 11.561 15.164 100 HB1 ALA 12 HB1 ALA 12 -20.386 13.833 13.445 101 HB2 ALA 12 HB2 ALA 12 -21.400 12.419 13.718 102 HB3 ALA 12 HB3 ALA 12 -19.820 12.236 12.963 103 H ILE 13 HN ILE 13 -19.729 14.948 15.845 104 HA ILE 13 HA ILE 13 -17.041 15.569 15.030 105 HB ILE 13 HB ILE 13 -19.247 17.101 15.221 106 HG12 ILE 13 HG12 ILE 13 -17.255 17.818 14.039 107 HG13 ILE 13 HG11 ILE 13 -17.733 19.111 15.132 108 HG21 ILE 13 HG21 ILE 13 -19.400 18.459 17.110 109 HG22 ILE 13 HG22 ILE 13 -17.750 18.133 17.628 110 HG23 ILE 13 HG23 ILE 13 -18.989 16.908 17.820 111 HD11 ILE 13 HD3 ILE 13 -15.425 18.963 15.505 112 HD12 ILE 13 HD1 ILE 13 -15.413 17.208 15.362 113 HD13 ILE 13 HD2 ILE 13 -16.074 17.974 16.807 114 H ARG 14 HN ARG 14 -18.622 14.741 18.020 115 HA ARG 14 HA ARG 14 -16.612 15.534 19.834 116 HB2 ARG 14 HB2 ARG 14 -18.875 14.778 20.510 117 HB3 ARG 14 HB1 ARG 14 -18.438 13.132 20.059 118 HG2 ARG 14 HG2 ARG 14 -16.608 13.146 21.702 119 HG3 ARG 14 HG1 ARG 14 -17.003 14.808 22.148 120 HD2 ARG 14 HD2 ARG 14 -18.935 12.484 22.394 121 HD3 ARG 14 HD1 ARG 14 -17.945 13.093 23.718 122 HE ARG 14 HE ARG 14 -19.263 15.312 22.795 123 HH11 ARG 14 HH21 ARG 14 -20.178 12.142 23.835 124 HH12 ARG 14 HH22 ARG 14 -21.716 12.638 24.457 125 HH21 ARG 14 HH11 ARG 14 -21.268 15.978 23.605 126 HH22 ARG 14 HH12 ARG 14 -22.338 14.823 24.328 127 H ARG 15 HN ARG 15 -17.116 12.529 18.141 128 HA ARG 15 HA ARG 15 -15.109 10.970 19.091 129 HB2 ARG 15 HB2 ARG 15 -16.174 11.176 16.281 130 HB3 ARG 15 HB1 ARG 15 -15.138 9.867 16.853 131 HG2 ARG 15 HG2 ARG 15 -16.737 9.196 18.502 132 HG3 ARG 15 HG1 ARG 15 -17.729 10.619 18.194 133 HD2 ARG 15 HD2 ARG 15 -18.725 8.709 17.068 134 HD3 ARG 15 HD1 ARG 15 -18.089 9.826 15.873 135 HE ARG 15 HE ARG 15 -16.117 7.890 16.505 136 HH11 ARG 15 HH21 ARG 15 -19.166 8.305 14.915 137 HH12 ARG 15 HH22 ARG 15 -18.891 7.035 13.768 138 HH21 ARG 15 HH11 ARG 15 -15.753 6.235 15.010 139 HH22 ARG 15 HH12 ARG 15 -16.958 5.860 13.824 140 H ALA 16 HN ALA 16 -14.907 13.575 16.760 141 HA ALA 16 HA ALA 16 -12.289 13.105 15.839 142 HB1 ALA 16 HB1 ALA 16 -12.220 15.447 15.208 143 HB2 ALA 16 HB2 ALA 16 -13.525 15.831 16.329 144 HB3 ALA 16 HB3 ALA 16 -13.852 14.858 14.894 145 H SER 17 HN SER 17 -13.667 14.315 18.657 146 HA SER 17 HA SER 17 -11.263 15.400 19.840 147 HB2 SER 17 HB2 SER 17 -13.596 14.614 21.568 148 HB3 SER 17 HB1 SER 17 -12.573 16.041 21.643 149 HG SER 17 HG1 SER 17 -14.057 16.987 20.492 150 H THR 18 HN THR 18 -13.346 12.663 20.948 151 HA THR 18 HA THR 18 -10.899 11.156 21.619 152 HB THR 18 HB THR 18 -11.772 12.072 23.660 153 HG1 THR 18 HG1 THR 18 -11.956 9.382 23.068 154 HG21 THR 18 HG21 THR 18 -14.019 11.841 24.371 155 HG22 THR 18 HG22 THR 18 -14.380 10.647 23.127 156 HG23 THR 18 HG23 THR 18 -14.133 12.338 22.685 157 H ILE 19 HN ILE 19 -12.194 10.695 19.253 158 HA ILE 19 HA ILE 19 -14.189 8.888 18.860 159 HB ILE 19 HB ILE 19 -12.846 9.516 16.985 160 HG12 ILE 19 HG12 ILE 19 -12.257 6.559 17.388 161 HG13 ILE 19 HG11 ILE 19 -13.855 7.172 16.961 162 HG21 ILE 19 HG21 ILE 19 -10.477 8.552 16.831 163 HG22 ILE 19 HG22 ILE 19 -10.616 8.264 18.571 164 HG23 ILE 19 HG23 ILE 19 -10.739 9.908 17.930 165 HD11 ILE 19 HD3 ILE 19 -12.992 8.153 14.919 166 HD12 ILE 19 HD1 ILE 19 -12.517 6.457 14.978 167 HD13 ILE 19 HD2 ILE 19 -11.340 7.716 15.360 168 H GLU 20 HN GLU 20 -11.229 8.285 20.578 169 HA GLU 20 HA GLU 20 -12.282 5.737 21.564 170 HB2 GLU 20 HB2 GLU 20 -10.886 5.237 19.525 171 HB3 GLU 20 HB1 GLU 20 -9.501 5.919 20.384 172 HG2 GLU 20 HG2 GLU 20 -9.487 3.506 20.679 173 HG3 GLU 20 HG1 GLU 20 -9.885 4.250 22.227 174 H MET 21 HN MET 21 -12.445 6.674 23.594 175 HA MET 21 HA MET 21 -10.510 8.216 24.879 176 HB2 MET 21 HB2 MET 21 -13.013 7.019 25.612 177 HB3 MET 21 HB1 MET 21 -11.870 6.582 26.870 178 HG2 MET 21 HG2 MET 21 -12.582 9.388 25.939 179 HG3 MET 21 HG1 MET 21 -12.937 8.663 27.506 180 HE1 MET 21 HE1 MET 21 -9.619 8.245 29.233 181 HE2 MET 21 HE2 MET 21 -9.846 7.103 27.910 182 HE3 MET 21 HE3 MET 21 -11.229 7.579 28.886 183 HA PRO 22 HA PRO 22 -9.003 4.060 26.899 184 HB2 PRO 22 HB2 PRO 22 -9.301 2.258 24.565 185 HB3 PRO 22 HB1 PRO 22 -9.551 1.913 26.274 186 HG2 PRO 22 HG2 PRO 22 -11.610 2.216 24.548 187 HG3 PRO 22 HG1 PRO 22 -11.721 2.664 26.263 188 HD2 PRO 22 HD2 PRO 22 -11.519 4.443 23.884 189 HD3 PRO 22 HD1 PRO 22 -12.228 4.767 25.475 190 H GLN 23 HN GLN 23 -6.983 4.279 26.951 191 HA GLN 23 HA GLN 23 -5.414 5.473 24.918 192 HB2 GLN 23 HB2 GLN 23 -4.631 4.183 27.530 193 HB3 GLN 23 HB1 GLN 23 -3.508 5.031 26.472 194 HG2 GLN 23 HG2 GLN 23 -4.839 7.062 26.630 195 HG3 GLN 23 HG1 GLN 23 -6.022 6.239 27.648 196 HE21 GLN 23 HE21 GLN 23 -5.133 8.282 29.007 197 HE22 GLN 23 HE22 GLN 23 -3.878 7.909 30.088 198 H GLN 24 HN GLN 24 -6.050 2.158 25.748 199 HA GLN 24 HA GLN 24 -3.749 1.163 24.248 200 HB2 GLN 24 HB2 GLN 24 -4.685 -1.075 24.777 201 HB3 GLN 24 HB1 GLN 24 -4.444 -0.097 26.218 202 HG2 GLN 24 HG2 GLN 24 -6.896 0.576 26.023 203 HG3 GLN 24 HG1 GLN 24 -7.051 -0.686 24.804 204 HE21 GLN 24 HE21 GLN 24 -8.636 -1.479 26.634 205 HE22 GLN 24 HE22 GLN 24 -7.960 -2.511 27.804 206 H ALA 25 HN ALA 25 -7.249 1.209 24.008 207 HA ALA 25 HA ALA 25 -7.359 -0.065 21.464 208 HB1 ALA 25 HB1 ALA 25 -9.654 0.326 21.485 209 HB2 ALA 25 HB2 ALA 25 -9.472 1.859 22.323 210 HB3 ALA 25 HB3 ALA 25 -9.267 0.360 23.203 211 H ARG 26 HN ARG 26 -7.002 3.291 22.391 212 HA ARG 26 HA ARG 26 -7.525 4.489 19.945 213 HB2 ARG 26 HB2 ARG 26 -7.237 5.691 22.077 214 HB3 ARG 26 HB1 ARG 26 -5.512 5.311 22.042 215 HG2 ARG 26 HG2 ARG 26 -5.289 6.497 19.924 216 HG3 ARG 26 HG1 ARG 26 -7.011 6.843 19.922 217 HD2 ARG 26 HD2 ARG 26 -6.710 8.066 22.098 218 HD3 ARG 26 HD1 ARG 26 -4.972 7.814 21.940 219 HE ARG 26 HE ARG 26 -5.923 9.031 19.579 220 HH11 ARG 26 HH21 ARG 26 -5.468 9.655 22.946 221 HH12 ARG 26 HH22 ARG 26 -5.232 11.358 22.745 222 HH21 ARG 26 HH11 ARG 26 -5.611 11.285 19.311 223 HH22 ARG 26 HH12 ARG 26 -5.319 12.282 20.699 224 H GLN 27 HN GLN 27 -4.450 3.179 21.269 225 HA GLN 27 HA GLN 27 -3.126 3.716 18.715 226 HB2 GLN 27 HB2 GLN 27 -2.106 2.541 21.297 227 HB3 GLN 27 HB1 GLN 27 -1.115 2.919 19.888 228 HG2 GLN 27 HG2 GLN 27 -2.815 4.941 21.377 229 HG3 GLN 27 HG1 GLN 27 -1.078 4.723 21.631 230 HE21 GLN 27 HE21 GLN 27 -2.988 6.876 20.203 231 HE22 GLN 27 HE22 GLN 27 -2.102 7.231 18.800 232 H ASN 28 HN ASN 28 -4.275 0.940 20.593 233 HA ASN 28 HA ASN 28 -2.940 -1.053 19.105 234 HB2 ASN 28 HB2 ASN 28 -4.009 -1.547 21.251 235 HB3 ASN 28 HB1 ASN 28 -5.589 -1.241 20.538 236 HD21 ASN 28 HD21 ASN 28 -6.220 -3.506 20.987 237 HD22 ASN 28 HD22 ASN 28 -5.623 -4.757 20.009 238 H LEU 29 HN LEU 29 -6.213 0.256 18.764 239 HA LEU 29 HA LEU 29 -6.856 -1.251 16.431 240 HB2 LEU 29 HB2 LEU 29 -8.067 1.385 17.302 241 HB3 LEU 29 HB1 LEU 29 -8.794 0.166 16.255 242 HG LEU 29 HG LEU 29 -7.987 -0.309 19.111 243 HD11 LEU 29 HD11 LEU 29 -10.546 -0.364 19.434 244 HD12 LEU 29 HD12 LEU 29 -10.637 0.444 17.868 245 HD13 LEU 29 HD13 LEU 29 -9.799 1.219 19.212 246 HD21 LEU 29 HD21 LEU 29 -9.347 -1.982 16.995 247 HD22 LEU 29 HD22 LEU 29 -9.666 -2.289 18.702 248 HD23 LEU 29 HD23 LEU 29 -8.027 -2.423 18.077 249 H GLN 30 HN GLN 30 -5.597 1.998 17.068 250 HA GLN 30 HA GLN 30 -5.584 2.694 14.287 251 HB2 GLN 30 HB2 GLN 30 -4.122 3.891 16.631 252 HB3 GLN 30 HB1 GLN 30 -4.072 4.555 15.004 253 HG2 GLN 30 HG2 GLN 30 -6.661 4.042 16.486 254 HG3 GLN 30 HG1 GLN 30 -5.826 5.597 16.509 255 HE21 GLN 30 HE21 GLN 30 -8.421 4.312 15.094 256 HE22 GLN 30 HE22 GLN 30 -8.321 4.996 13.543 257 H ASN 31 HN ASN 31 -3.376 0.985 16.372 258 HA ASN 31 HA ASN 31 -1.047 1.263 14.794 259 HB2 ASN 31 HB2 ASN 31 -1.942 -0.743 16.852 260 HB3 ASN 31 HB1 ASN 31 -0.482 -1.047 15.919 261 HD21 ASN 31 HD21 ASN 31 -0.418 -0.611 18.752 262 HD22 ASN 31 HD22 ASN 31 0.401 0.847 19.047 263 H LEU 32 HN LEU 32 -3.717 -0.998 14.752 264 HA LEU 32 HA LEU 32 -2.723 -2.734 12.778 265 HB2 LEU 32 HB2 LEU 32 -5.545 -2.045 13.611 266 HB3 LEU 32 HB1 LEU 32 -5.160 -3.323 12.459 267 HG LEU 32 HG LEU 32 -4.017 -3.200 15.266 268 HD11 LEU 32 HD11 LEU 32 -6.385 -3.430 15.513 269 HD12 LEU 32 HD12 LEU 32 -5.702 -5.045 15.704 270 HD13 LEU 32 HD13 LEU 32 -6.479 -4.591 14.188 271 HD21 LEU 32 HD21 LEU 32 -3.833 -5.777 14.665 272 HD22 LEU 32 HD22 LEU 32 -2.625 -4.666 14.040 273 HD23 LEU 32 HD23 LEU 32 -3.938 -5.210 13.001 274 H PHE 33 HN PHE 33 -4.748 0.158 12.641 275 HA PHE 33 HA PHE 33 -5.148 0.125 9.832 276 HB2 PHE 33 HB2 PHE 33 -6.540 1.490 11.315 277 HB3 PHE 33 HB1 PHE 33 -5.137 2.466 11.755 278 HD1 PHE 33 HD2 PHE 33 -7.135 1.363 8.777 279 HD2 PHE 33 HD1 PHE 33 -4.567 4.359 10.471 280 HE1 PHE 33 HE2 PHE 33 -7.513 2.808 6.793 281 HE2 PHE 33 HE1 PHE 33 -4.944 5.802 8.493 282 HZ PHE 33 HZ PHE 33 -6.415 5.028 6.654 283 H ILE 34 HN ILE 34 -2.835 1.868 11.868 284 HA ILE 34 HA ILE 34 -1.411 3.107 9.742 285 HB ILE 34 HB ILE 34 -0.543 2.396 12.559 286 HG12 ILE 34 HG12 ILE 34 -2.350 4.081 12.421 287 HG13 ILE 34 HG11 ILE 34 -0.861 4.824 12.969 288 HG21 ILE 34 HG21 ILE 34 1.478 2.555 11.332 289 HG22 ILE 34 HG22 ILE 34 1.277 4.114 12.127 290 HG23 ILE 34 HG23 ILE 34 0.913 3.948 10.407 291 HD11 ILE 34 HD3 ILE 34 -0.613 5.255 10.295 292 HD12 ILE 34 HD1 ILE 34 -1.435 6.377 11.376 293 HD13 ILE 34 HD2 ILE 34 -2.363 5.218 10.432 294 H ASN 35 HN ASN 35 -0.835 0.083 11.526 295 HA ASN 35 HA ASN 35 1.493 -0.636 10.095 296 HB2 ASN 35 HB2 ASN 35 0.932 -1.646 12.258 297 HB3 ASN 35 HB1 ASN 35 -0.517 -2.370 11.553 298 HD21 ASN 35 HD21 ASN 35 1.385 -4.099 12.682 299 HD22 ASN 35 HD22 ASN 35 2.183 -4.947 11.448 300 H PHE 36 HN PHE 36 -1.928 -1.391 9.775 301 HA PHE 36 HA PHE 36 -1.652 -3.093 7.543 302 HB2 PHE 36 HB2 PHE 36 -3.683 -3.139 8.865 303 HB3 PHE 36 HB1 PHE 36 -4.036 -1.466 8.415 304 HD1 PHE 36 HD2 PHE 36 -3.220 -4.754 6.813 305 HD2 PHE 36 HD1 PHE 36 -5.507 -1.119 6.613 306 HE1 PHE 36 HE2 PHE 36 -4.363 -5.578 4.779 307 HE2 PHE 36 HE1 PHE 36 -6.649 -1.945 4.580 308 HZ PHE 36 HZ PHE 36 -6.077 -4.179 3.658 309 H ALA 37 HN ALA 37 -1.814 0.397 7.803 310 HA ALA 37 HA ALA 37 -2.386 0.835 5.037 311 HB1 ALA 37 HB1 ALA 37 -2.895 2.486 6.833 312 HB2 ALA 37 HB2 ALA 37 -1.921 3.158 5.528 313 HB3 ALA 37 HB3 ALA 37 -1.163 2.727 7.060 314 H LEU 38 HN LEU 38 0.447 0.560 7.074 315 HA LEU 38 HA LEU 38 2.371 1.504 5.252 316 HB2 LEU 38 HB2 LEU 38 2.510 -0.352 7.615 317 HB3 LEU 38 HB1 LEU 38 3.941 -0.043 6.636 318 HG LEU 38 HG LEU 38 2.265 2.132 7.934 319 HD11 LEU 38 HD11 LEU 38 4.225 2.280 9.517 320 HD12 LEU 38 HD12 LEU 38 4.832 0.776 8.821 321 HD13 LEU 38 HD13 LEU 38 3.289 0.794 9.670 322 HD21 LEU 38 HD21 LEU 38 4.750 2.097 6.219 323 HD22 LEU 38 HD22 LEU 38 4.677 3.291 7.513 324 HD23 LEU 38 HD23 LEU 38 3.442 3.273 6.269 325 H ILE 39 HN ILE 39 0.923 -1.675 5.725 326 HA ILE 39 HA ILE 39 2.663 -3.070 3.965 327 HB ILE 39 HB ILE 39 -0.187 -3.632 4.846 328 HG12 ILE 39 HG12 ILE 39 2.423 -4.968 5.621 329 HG13 ILE 39 HG11 ILE 39 1.711 -3.647 6.544 330 HG21 ILE 39 HG21 ILE 39 1.761 -5.262 3.189 331 HG22 ILE 39 HG22 ILE 39 0.109 -4.800 2.772 332 HG23 ILE 39 HG23 ILE 39 0.398 -5.986 4.045 333 HD11 ILE 39 HD3 ILE 39 1.116 -5.942 7.410 334 HD12 ILE 39 HD1 ILE 39 0.246 -6.218 5.901 335 HD13 ILE 39 HD2 ILE 39 -0.277 -4.942 6.997 336 H LEU 40 HN LEU 40 -0.437 -1.465 3.577 337 HA LEU 40 HA LEU 40 -0.764 -2.058 0.811 338 HB2 LEU 40 HB2 LEU 40 -1.956 0.109 2.538 339 HB3 LEU 40 HB1 LEU 40 -2.410 -0.141 0.856 340 HG LEU 40 HG LEU 40 -2.570 -2.285 2.992 341 HD11 LEU 40 HD11 LEU 40 -4.169 -0.704 3.671 342 HD12 LEU 40 HD12 LEU 40 -5.106 -1.821 2.685 343 HD13 LEU 40 HD13 LEU 40 -4.600 -0.267 2.017 344 HD21 LEU 40 HD21 LEU 40 -2.583 -3.483 0.981 345 HD22 LEU 40 HD22 LEU 40 -3.273 -2.150 0.058 346 HD23 LEU 40 HD23 LEU 40 -4.300 -3.117 1.106 347 H ILE 41 HN ILE 41 0.423 0.842 2.453 348 HA ILE 41 HA ILE 41 0.942 2.288 0.064 349 HB ILE 41 HB ILE 41 0.904 3.096 2.593 350 HG12 ILE 41 HG12 ILE 41 2.798 4.368 0.582 351 HG13 ILE 41 HG11 ILE 41 1.044 4.557 0.563 352 HG21 ILE 41 HG21 ILE 41 3.010 3.430 3.621 353 HG22 ILE 41 HG22 ILE 41 3.892 3.001 2.156 354 HG23 ILE 41 HG23 ILE 41 3.045 1.765 3.065 355 HD11 ILE 41 HD3 ILE 41 1.142 5.500 2.859 356 HD12 ILE 41 HD1 ILE 41 2.049 6.468 1.697 357 HD13 ILE 41 HD2 ILE 41 2.902 5.394 2.805 358 H PHE 42 HN PHE 42 3.114 0.235 2.003 359 HA PHE 42 HA PHE 42 5.446 0.666 0.507 360 HB2 PHE 42 HB2 PHE 42 5.439 -0.496 2.661 361 HB3 PHE 42 HB1 PHE 42 4.563 -1.848 1.941 362 HD1 PHE 42 HD1 PHE 42 7.699 0.161 1.572 363 HD2 PHE 42 HD2 PHE 42 5.754 -3.613 0.909 364 HE1 PHE 42 HE1 PHE 42 9.852 -0.816 0.812 365 HE2 PHE 42 HE2 PHE 42 7.902 -4.586 0.151 366 HZ PHE 42 HZ PHE 42 9.948 -3.194 0.100 367 H LEU 43 HN LEU 43 2.890 -1.763 0.078 368 HA LEU 43 HA LEU 43 4.058 -3.074 -2.134 369 HB2 LEU 43 HB2 LEU 43 1.190 -2.836 -1.219 370 HB3 LEU 43 HB1 LEU 43 1.686 -3.854 -2.564 371 HG LEU 43 HG LEU 43 2.885 -4.091 0.214 372 HD11 LEU 43 HD11 LEU 43 0.651 -5.749 -0.998 373 HD12 LEU 43 HD12 LEU 43 0.424 -4.507 0.235 374 HD13 LEU 43 HD13 LEU 43 1.363 -5.953 0.602 375 HD21 LEU 43 HD21 LEU 43 4.342 -5.207 -1.279 376 HD22 LEU 43 HD22 LEU 43 3.034 -5.717 -2.342 377 HD23 LEU 43 HD23 LEU 43 3.267 -6.508 -0.789 378 H LEU 44 HN LEU 44 1.813 -0.345 -1.898 379 HA LEU 44 HA LEU 44 1.330 -0.125 -4.679 380 HB2 LEU 44 HB2 LEU 44 1.132 1.868 -2.426 381 HB3 LEU 44 HB1 LEU 44 0.679 2.259 -4.077 382 HG LEU 44 HG LEU 44 -0.480 -0.118 -2.595 383 HD11 LEU 44 HD11 LEU 44 -1.523 2.724 -2.778 384 HD12 LEU 44 HD12 LEU 44 -1.020 1.876 -1.314 385 HD13 LEU 44 HD13 LEU 44 -2.460 1.352 -2.185 386 HD21 LEU 44 HD21 LEU 44 -0.963 -0.387 -4.899 387 HD22 LEU 44 HD22 LEU 44 -1.125 1.344 -5.174 388 HD23 LEU 44 HD23 LEU 44 -2.388 0.468 -4.323 389 H LEU 45 HN LEU 45 3.803 1.244 -2.545 390 HA LEU 45 HA LEU 45 4.912 3.031 -4.413 391 HB2 LEU 45 HB2 LEU 45 6.047 1.711 -1.966 392 HB3 LEU 45 HB1 LEU 45 6.970 2.866 -2.924 393 HG LEU 45 HG LEU 45 4.223 3.482 -1.795 394 HD11 LEU 45 HD11 LEU 45 5.582 3.056 0.117 395 HD12 LEU 45 HD12 LEU 45 5.572 4.808 -0.076 396 HD13 LEU 45 HD13 LEU 45 6.973 3.872 -0.595 397 HD21 LEU 45 HD21 LEU 45 6.398 5.081 -3.173 398 HD22 LEU 45 HD22 LEU 45 5.341 5.882 -2.020 399 HD23 LEU 45 HD23 LEU 45 4.657 5.113 -3.442 400 H ILE 46 HN ILE 46 5.762 -0.364 -3.745 401 HA ILE 46 HA ILE 46 8.004 -0.313 -5.485 402 HB ILE 46 HB ILE 46 7.249 -2.117 -3.670 403 HG12 ILE 46 HG12 ILE 46 8.718 -3.812 -4.829 404 HG13 ILE 46 HG11 ILE 46 8.716 -2.767 -6.251 405 HG21 ILE 46 HG21 ILE 46 6.193 -4.066 -4.521 406 HG22 ILE 46 HG22 ILE 46 6.374 -3.537 -6.188 407 HG23 ILE 46 HG23 ILE 46 5.224 -2.732 -5.132 408 HD11 ILE 46 HD3 ILE 46 10.629 -2.634 -4.353 409 HD12 ILE 46 HD1 ILE 46 9.494 -1.478 -3.658 410 HD13 ILE 46 HD2 ILE 46 10.131 -1.232 -5.283 411 H ALA 47 HN ALA 47 4.615 -0.987 -5.933 412 HA ALA 47 HA ALA 47 4.682 -1.961 -8.572 413 HB1 ALA 47 HB1 ALA 47 2.676 -1.802 -6.955 414 HB2 ALA 47 HB2 ALA 47 2.368 -1.526 -8.668 415 HB3 ALA 47 HB3 ALA 47 2.484 -0.155 -7.563 416 H ILE 48 HN ILE 48 4.391 1.351 -7.347 417 HA ILE 48 HA ILE 48 4.266 2.649 -9.850 418 HB ILE 48 HB ILE 48 5.226 3.606 -7.147 419 HG12 ILE 48 HG12 ILE 48 2.650 4.200 -8.630 420 HG13 ILE 48 HG11 ILE 48 2.803 2.865 -7.487 421 HG21 ILE 48 HG21 ILE 48 4.792 5.076 -9.750 422 HG22 ILE 48 HG22 ILE 48 6.215 5.101 -8.708 423 HG23 ILE 48 HG23 ILE 48 4.728 5.896 -8.189 424 HD11 ILE 48 HD3 ILE 48 3.268 5.797 -6.880 425 HD12 ILE 48 HD1 ILE 48 3.523 4.478 -5.739 426 HD13 ILE 48 HD2 ILE 48 1.901 4.823 -6.338 427 H ILE 49 HN ILE 49 7.020 1.869 -7.746 428 HA ILE 49 HA ILE 49 8.999 3.099 -9.366 429 HB ILE 49 HB ILE 49 9.181 0.874 -7.359 430 HG12 ILE 49 HG12 ILE 49 8.509 3.042 -6.416 431 HG13 ILE 49 HG11 ILE 49 10.135 2.631 -5.893 432 HG21 ILE 49 HG21 ILE 49 11.665 1.498 -7.335 433 HG22 ILE 49 HG22 ILE 49 11.369 2.302 -8.877 434 HG23 ILE 49 HG23 ILE 49 11.099 0.564 -8.720 435 HD11 ILE 49 HD3 ILE 49 10.477 4.827 -6.508 436 HD12 ILE 49 HD1 ILE 49 9.214 4.796 -7.731 437 HD13 ILE 49 HD2 ILE 49 10.784 4.077 -8.068 438 H VAL 50 HN VAL 50 7.784 -0.203 -9.175 439 HA VAL 50 HA VAL 50 9.531 -1.302 -11.107 440 HB VAL 50 HB VAL 50 6.776 -2.134 -10.163 441 HG11 VAL 50 HG11 VAL 50 6.966 -3.068 -12.353 442 HG12 VAL 50 HG12 VAL 50 7.432 -4.356 -11.239 443 HG13 VAL 50 HG13 VAL 50 8.672 -3.460 -12.116 444 HG21 VAL 50 HG21 VAL 50 9.448 -3.480 -9.699 445 HG22 VAL 50 HG22 VAL 50 7.948 -3.701 -8.800 446 HG23 VAL 50 HG23 VAL 50 8.862 -2.202 -8.636 447 H MET 51 HN MET 51 6.244 0.051 -11.328 448 HA MET 51 HA MET 51 6.014 -0.290 -14.134 449 HB2 MET 51 HB2 MET 51 4.530 1.370 -12.101 450 HB3 MET 51 HB1 MET 51 4.163 1.492 -13.822 451 HG2 MET 51 HG2 MET 51 3.813 -1.005 -13.859 452 HG3 MET 51 HG1 MET 51 3.998 -1.002 -12.105 453 HE1 MET 51 HE1 MET 51 2.631 -0.007 -10.485 454 HE2 MET 51 HE2 MET 51 1.031 0.695 -10.665 455 HE3 MET 51 HE3 MET 51 2.447 1.655 -11.074 456 H LEU 52 HN LEU 52 7.459 2.182 -12.086 457 HA LEU 52 HA LEU 52 7.463 4.299 -13.924 458 HB2 LEU 52 HB2 LEU 52 8.071 4.615 -11.581 459 HB3 LEU 52 HB1 LEU 52 9.500 3.610 -11.798 460 HG LEU 52 HG LEU 52 10.450 5.226 -13.378 461 HD11 LEU 52 HD11 LEU 52 7.762 6.558 -13.036 462 HD12 LEU 52 HD12 LEU 52 8.643 6.214 -14.525 463 HD13 LEU 52 HD13 LEU 52 9.177 7.520 -13.470 464 HD21 LEU 52 HD21 LEU 52 9.424 6.420 -10.786 465 HD22 LEU 52 HD22 LEU 52 10.684 7.155 -11.778 466 HD23 LEU 52 HD23 LEU 52 10.955 5.582 -11.036 467 H LEU 53 HN LEU 53 9.688 1.579 -13.552 468 HA LEU 53 HA LEU 53 11.602 2.484 -15.441 469 HB2 LEU 53 HB2 LEU 53 10.963 -0.351 -14.602 470 HB3 LEU 53 HB1 LEU 53 12.435 0.185 -15.404 471 HG LEU 53 HG LEU 53 11.498 1.135 -12.680 472 HD11 LEU 53 HD11 LEU 53 13.705 -0.790 -13.475 473 HD12 LEU 53 HD12 LEU 53 12.205 -1.215 -12.653 474 HD13 LEU 53 HD13 LEU 53 13.401 -0.209 -11.837 475 HD21 LEU 53 HD21 LEU 53 14.034 1.891 -12.698 476 HD22 LEU 53 HD22 LEU 53 12.841 2.891 -13.514 477 HD23 LEU 53 HD23 LEU 53 13.862 1.801 -14.453 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -29.355 8.260 13.221 2 H2 ALA 1 HT2 ALA 1 -28.633 6.920 12.464 3 H3 ALA 1 HT3 ALA 1 -30.279 7.259 12.215 4 HA ALA 1 HA ALA 1 -28.023 8.989 11.359 5 HB1 ALA 1 HB1 ALA 1 -28.086 6.977 10.010 6 HB2 ALA 1 HB2 ALA 1 -28.796 8.285 9.065 7 HB3 ALA 1 HB3 ALA 1 -29.838 7.092 9.840 8 H MET 2 HN MET 2 -30.945 9.042 12.715 9 HA MET 2 HA MET 2 -32.307 10.878 10.895 10 HB2 MET 2 HB2 MET 2 -33.014 9.787 13.625 11 HB3 MET 2 HB1 MET 2 -34.025 10.920 12.726 12 HG2 MET 2 HG2 MET 2 -34.103 9.315 10.831 13 HG3 MET 2 HG1 MET 2 -33.168 8.168 11.787 14 HE1 MET 2 HE1 MET 2 -33.768 7.054 13.752 15 HE2 MET 2 HE2 MET 2 -35.360 6.880 14.477 16 HE3 MET 2 HE3 MET 2 -34.416 8.326 14.806 17 H GLU 3 HN GLU 3 -32.423 11.392 14.327 18 HA GLU 3 HA GLU 3 -31.631 14.170 13.985 19 HB2 GLU 3 HB2 GLU 3 -32.580 12.586 16.380 20 HB3 GLU 3 HB1 GLU 3 -32.191 14.307 16.425 21 HG2 GLU 3 HG2 GLU 3 -33.885 14.774 14.728 22 HG3 GLU 3 HG1 GLU 3 -34.242 13.054 14.579 23 H LYS 4 HN LYS 4 -30.158 11.215 14.912 24 HA LYS 4 HA LYS 4 -28.157 12.191 16.671 25 HB2 LYS 4 HB2 LYS 4 -27.915 9.821 14.811 26 HB3 LYS 4 HB1 LYS 4 -27.050 10.086 16.321 27 HG2 LYS 4 HG2 LYS 4 -30.067 9.829 16.194 28 HG3 LYS 4 HG1 LYS 4 -29.005 8.447 16.429 29 HD2 LYS 4 HD2 LYS 4 -28.053 9.563 18.449 30 HD3 LYS 4 HD1 LYS 4 -29.212 10.873 18.241 31 HE2 LYS 4 HE2 LYS 4 -31.075 9.301 18.462 32 HE3 LYS 4 HE1 LYS 4 -29.942 7.961 18.622 33 HZ1 LYS 4 HZ1 LYS 4 -29.281 8.643 20.692 34 HZ2 LYS 4 HZ2 LYS 4 -30.917 9.103 20.722 35 HZ3 LYS 4 HZ3 LYS 4 -29.707 10.261 20.432 36 H VAL 5 HN VAL 5 -28.685 12.696 13.403 37 HA VAL 5 HA VAL 5 -26.067 12.747 12.361 38 HB VAL 5 HB VAL 5 -28.532 14.310 11.582 39 HG11 VAL 5 HG11 VAL 5 -27.247 14.487 9.360 40 HG12 VAL 5 HG12 VAL 5 -25.808 14.065 10.290 41 HG13 VAL 5 HG13 VAL 5 -26.705 15.534 10.672 42 HG21 VAL 5 HG21 VAL 5 -27.232 11.906 10.267 43 HG22 VAL 5 HG22 VAL 5 -28.810 12.604 9.901 44 HG23 VAL 5 HG23 VAL 5 -28.548 11.771 11.433 45 H GLN 6 HN GLN 6 -28.033 15.277 13.842 46 HA GLN 6 HA GLN 6 -26.176 17.368 13.565 47 HB2 GLN 6 HB2 GLN 6 -28.614 17.627 14.093 48 HB3 GLN 6 HB1 GLN 6 -28.256 17.080 15.730 49 HG2 GLN 6 HG2 GLN 6 -28.257 19.496 15.739 50 HG3 GLN 6 HG1 GLN 6 -26.591 18.956 15.921 51 HE21 GLN 6 HE21 GLN 6 -25.135 19.925 14.524 52 HE22 GLN 6 HE22 GLN 6 -25.538 20.652 13.045 53 H TYR 7 HN TYR 7 -26.835 15.202 16.288 54 HA TYR 7 HA TYR 7 -24.914 16.282 18.042 55 HB2 TYR 7 HB2 TYR 7 -26.657 14.799 18.849 56 HB3 TYR 7 HB1 TYR 7 -26.032 13.478 17.862 57 HD1 TYR 7 HD1 TYR 7 -25.189 15.760 20.688 58 HD2 TYR 7 HD2 TYR 7 -24.231 12.118 18.620 59 HE1 TYR 7 HE1 TYR 7 -23.626 15.136 22.509 60 HE2 TYR 7 HE2 TYR 7 -22.668 11.495 20.441 61 HH TYR 7 HH TYR 7 -21.411 13.507 22.552 62 H LEU 8 HN LEU 8 -24.727 13.436 15.902 63 HA LEU 8 HA LEU 8 -22.166 12.586 16.380 64 HB2 LEU 8 HB2 LEU 8 -23.724 12.755 13.806 65 HB3 LEU 8 HB1 LEU 8 -22.118 12.037 13.848 66 HG LEU 8 HG LEU 8 -24.279 11.121 15.763 67 HD11 LEU 8 HD11 LEU 8 -23.775 10.192 12.920 68 HD12 LEU 8 HD12 LEU 8 -25.280 10.825 13.586 69 HD13 LEU 8 HD13 LEU 8 -24.681 9.249 14.103 70 HD21 LEU 8 HD21 LEU 8 -22.929 8.959 15.532 71 HD22 LEU 8 HD22 LEU 8 -22.080 10.275 16.328 72 HD23 LEU 8 HD23 LEU 8 -21.727 9.891 14.645 73 H THR 9 HN THR 9 -23.160 15.358 14.388 74 HA THR 9 HA THR 9 -20.589 15.985 13.378 75 HB THR 9 HB THR 9 -22.925 17.826 13.964 76 HG1 THR 9 HG1 THR 9 -22.113 16.330 11.705 77 HG21 THR 9 HG21 THR 9 -20.974 19.176 13.696 78 HG22 THR 9 HG22 THR 9 -21.815 19.207 12.146 79 HG23 THR 9 HG23 THR 9 -20.393 18.185 12.358 80 H ARG 10 HN ARG 10 -22.359 17.102 16.230 81 HA ARG 10 HA ARG 10 -20.457 18.894 17.239 82 HB2 ARG 10 HB2 ARG 10 -22.766 18.627 18.146 83 HB3 ARG 10 HB1 ARG 10 -22.271 17.091 18.859 84 HG2 ARG 10 HG2 ARG 10 -20.539 18.256 20.176 85 HG3 ARG 10 HG1 ARG 10 -21.042 19.793 19.472 86 HD2 ARG 10 HD2 ARG 10 -23.336 19.407 20.394 87 HD3 ARG 10 HD1 ARG 10 -22.726 17.969 21.208 88 HE ARG 10 HE ARG 10 -22.184 20.746 21.925 89 HH11 ARG 10 HH21 ARG 10 -21.345 17.401 22.234 90 HH12 ARG 10 HH22 ARG 10 -20.497 17.611 23.730 91 HH21 ARG 10 HH11 ARG 10 -21.074 21.027 23.886 92 HH22 ARG 10 HH12 ARG 10 -20.344 19.663 24.665 93 H SER 11 HN SER 11 -20.882 15.448 17.907 94 HA SER 11 HA SER 11 -18.612 15.165 19.576 95 HB2 SER 11 HB2 SER 11 -18.890 12.765 19.194 96 HB3 SER 11 HB1 SER 11 -20.448 13.523 19.493 97 HG SER 11 HG1 SER 11 -20.449 13.708 17.059 98 H ALA 12 HN ALA 12 -19.051 15.262 16.192 99 HA ALA 12 HA ALA 12 -16.710 13.940 15.352 100 HB1 ALA 12 HB1 ALA 12 -17.739 16.363 13.881 101 HB2 ALA 12 HB2 ALA 12 -18.616 14.834 13.851 102 HB3 ALA 12 HB3 ALA 12 -16.972 14.916 13.229 103 H ILE 13 HN ILE 13 -17.321 17.156 16.546 104 HA ILE 13 HA ILE 13 -14.623 18.051 16.019 105 HB ILE 13 HB ILE 13 -16.918 19.466 16.376 106 HG12 ILE 13 HG12 ILE 13 -15.455 21.496 16.744 107 HG13 ILE 13 HG11 ILE 13 -14.094 20.409 16.992 108 HG21 ILE 13 HG21 ILE 13 -15.485 19.985 18.993 109 HG22 ILE 13 HG22 ILE 13 -16.850 18.886 18.893 110 HG23 ILE 13 HG23 ILE 13 -17.059 20.576 18.470 111 HD11 ILE 13 HD3 ILE 13 -14.691 21.467 14.584 112 HD12 ILE 13 HD1 ILE 13 -15.671 20.005 14.477 113 HD13 ILE 13 HD2 ILE 13 -13.934 19.889 14.754 114 H ARG 14 HN ARG 14 -16.373 16.900 18.886 115 HA ARG 14 HA ARG 14 -14.235 17.322 20.708 116 HB2 ARG 14 HB2 ARG 14 -16.590 16.943 21.386 117 HB3 ARG 14 HB1 ARG 14 -16.454 15.273 20.836 118 HG2 ARG 14 HG2 ARG 14 -14.641 14.871 22.450 119 HG3 ARG 14 HG1 ARG 14 -14.750 16.545 22.997 120 HD2 ARG 14 HD2 ARG 14 -17.069 14.609 23.084 121 HD3 ARG 14 HD1 ARG 14 -15.992 14.895 24.447 122 HE ARG 14 HE ARG 14 -16.967 17.383 23.549 123 HH11 ARG 14 HH21 ARG 14 -18.037 14.431 24.984 124 HH12 ARG 14 HH22 ARG 14 -19.354 15.156 25.843 125 HH21 ARG 14 HH11 ARG 14 -18.700 18.354 24.675 126 HH22 ARG 14 HH12 ARG 14 -19.729 17.377 25.668 127 H ARG 15 HN ARG 15 -15.276 14.545 18.867 128 HA ARG 15 HA ARG 15 -13.492 12.653 19.737 129 HB2 ARG 15 HB2 ARG 15 -14.775 13.094 17.044 130 HB3 ARG 15 HB1 ARG 15 -13.794 11.674 17.399 131 HG2 ARG 15 HG2 ARG 15 -15.255 10.981 19.154 132 HG3 ARG 15 HG1 ARG 15 -16.135 12.506 19.118 133 HD2 ARG 15 HD2 ARG 15 -17.421 10.777 17.960 134 HD3 ARG 15 HD1 ARG 15 -16.886 12.003 16.814 135 HE ARG 15 HE ARG 15 -14.987 9.885 16.951 136 HH11 ARG 15 HH21 ARG 15 -18.147 10.705 15.818 137 HH12 ARG 15 HH22 ARG 15 -18.117 9.590 14.494 138 HH21 ARG 15 HH11 ARG 15 -14.932 8.417 15.214 139 HH22 ARG 15 HH12 ARG 15 -16.293 8.295 14.151 140 H ALA 16 HN ALA 16 -13.045 15.214 17.376 141 HA ALA 16 HA ALA 16 -10.568 14.401 16.361 142 HB1 ALA 16 HB1 ALA 16 -11.862 16.319 15.433 143 HB2 ALA 16 HB2 ALA 16 -10.192 16.761 15.789 144 HB3 ALA 16 HB3 ALA 16 -11.485 17.243 16.887 145 H SER 17 HN SER 17 -11.601 15.646 19.332 146 HA SER 17 HA SER 17 -8.945 16.349 20.313 147 HB2 SER 17 HB2 SER 17 -11.313 16.068 22.150 148 HB3 SER 17 HB1 SER 17 -10.011 17.248 22.174 149 HG SER 17 HG1 SER 17 -12.340 17.125 20.604 150 H THR 18 HN THR 18 -11.462 14.069 21.507 151 HA THR 18 HA THR 18 -9.312 12.169 22.227 152 HB THR 18 HB THR 18 -10.121 13.259 24.218 153 HG1 THR 18 HG1 THR 18 -9.849 11.319 24.931 154 HG21 THR 18 HG21 THR 18 -12.380 13.841 23.174 155 HG22 THR 18 HG22 THR 18 -12.413 13.320 24.857 156 HG23 THR 18 HG23 THR 18 -12.874 12.197 23.578 157 H ILE 19 HN ILE 19 -10.731 11.983 19.798 158 HA ILE 19 HA ILE 19 -12.939 10.441 19.436 159 HB ILE 19 HB ILE 19 -11.591 10.945 17.525 160 HG12 ILE 19 HG12 ILE 19 -11.332 7.938 17.816 161 HG13 ILE 19 HG11 ILE 19 -12.899 8.711 17.588 162 HG21 ILE 19 HG21 ILE 19 -9.371 9.628 17.275 163 HG22 ILE 19 HG22 ILE 19 -9.482 9.399 19.024 164 HG23 ILE 19 HG23 ILE 19 -9.402 11.031 18.346 165 HD11 ILE 19 HD3 ILE 19 -10.531 8.753 15.702 166 HD12 ILE 19 HD1 ILE 19 -11.927 9.813 15.509 167 HD13 ILE 19 HD2 ILE 19 -12.127 8.065 15.408 168 H GLU 20 HN GLU 20 -10.032 9.372 21.032 169 HA GLU 20 HA GLU 20 -11.425 7.002 22.015 170 HB2 GLU 20 HB2 GLU 20 -10.307 6.416 19.799 171 HB3 GLU 20 HB1 GLU 20 -8.765 6.705 20.597 172 HG2 GLU 20 HG2 GLU 20 -9.010 4.864 22.051 173 HG3 GLU 20 HG1 GLU 20 -10.760 4.789 21.821 174 H MET 21 HN MET 21 -11.281 7.928 24.015 175 HA MET 21 HA MET 21 -9.053 9.125 25.178 176 HB2 MET 21 HB2 MET 21 -10.748 7.618 27.103 177 HB3 MET 21 HB1 MET 21 -10.347 9.328 27.057 178 HG2 MET 21 HG2 MET 21 -11.957 9.500 25.066 179 HG3 MET 21 HG1 MET 21 -12.492 7.882 25.507 180 HE1 MET 21 HE1 MET 21 -15.452 9.030 27.344 181 HE2 MET 21 HE2 MET 21 -14.524 7.570 27.020 182 HE3 MET 21 HE3 MET 21 -14.831 8.707 25.713 183 HA PRO 22 HA PRO 22 -8.117 4.778 27.137 184 HB2 PRO 22 HB2 PRO 22 -8.577 3.128 24.713 185 HB3 PRO 22 HB1 PRO 22 -8.873 2.718 26.404 186 HG2 PRO 22 HG2 PRO 22 -10.896 3.304 24.748 187 HG3 PRO 22 HG1 PRO 22 -10.923 3.785 26.458 188 HD2 PRO 22 HD2 PRO 22 -10.442 5.485 24.046 189 HD3 PRO 22 HD1 PRO 22 -11.203 5.919 25.590 190 H GLN 23 HN GLN 23 -6.078 4.646 27.196 191 HA GLN 23 HA GLN 23 -4.376 5.726 25.151 192 HB2 GLN 23 HB2 GLN 23 -3.775 4.400 27.798 193 HB3 GLN 23 HB1 GLN 23 -2.530 5.052 26.731 194 HG2 GLN 23 HG2 GLN 23 -3.562 7.272 26.842 195 HG3 GLN 23 HG1 GLN 23 -4.854 6.636 27.858 196 HE21 GLN 23 HE21 GLN 23 -1.895 8.230 28.007 197 HE22 GLN 23 HE22 GLN 23 -1.477 7.845 29.608 198 H GLN 24 HN GLN 24 -5.700 2.677 25.712 199 HA GLN 24 HA GLN 24 -3.517 1.242 24.312 200 HB2 GLN 24 HB2 GLN 24 -4.734 -0.800 25.004 201 HB3 GLN 24 HB1 GLN 24 -4.287 0.200 26.382 202 HG2 GLN 24 HG2 GLN 24 -6.636 1.215 26.220 203 HG3 GLN 24 HG1 GLN 24 -7.018 -0.107 25.122 204 HE21 GLN 24 HE21 GLN 24 -8.302 0.189 27.677 205 HE22 GLN 24 HE22 GLN 24 -7.838 -1.127 28.642 206 H ALA 25 HN ALA 25 -7.027 1.722 24.253 207 HA ALA 25 HA ALA 25 -7.413 0.398 21.775 208 HB1 ALA 25 HB1 ALA 25 -9.260 2.610 22.602 209 HB2 ALA 25 HB2 ALA 25 -9.150 1.169 23.606 210 HB3 ALA 25 HB3 ALA 25 -9.646 1.030 21.923 211 H ARG 26 HN ARG 26 -6.558 3.706 22.539 212 HA ARG 26 HA ARG 26 -7.058 4.830 20.042 213 HB2 ARG 26 HB2 ARG 26 -6.625 6.109 22.102 214 HB3 ARG 26 HB1 ARG 26 -4.941 5.583 22.050 215 HG2 ARG 26 HG2 ARG 26 -4.630 6.641 19.903 216 HG3 ARG 26 HG1 ARG 26 -6.336 7.065 19.836 217 HD2 ARG 26 HD2 ARG 26 -6.014 8.426 21.916 218 HD3 ARG 26 HD1 ARG 26 -4.288 8.102 21.804 219 HE ARG 26 HE ARG 26 -5.115 9.152 19.336 220 HH11 ARG 26 HH21 ARG 26 -4.884 10.058 22.664 221 HH12 ARG 26 HH22 ARG 26 -4.642 11.741 22.334 222 HH21 ARG 26 HH11 ARG 26 -4.798 11.363 18.892 223 HH22 ARG 26 HH12 ARG 26 -4.593 12.480 20.200 224 H GLN 27 HN GLN 27 -4.132 3.231 21.344 225 HA GLN 27 HA GLN 27 -2.736 3.594 18.801 226 HB2 GLN 27 HB2 GLN 27 -1.880 2.228 21.349 227 HB3 GLN 27 HB1 GLN 27 -0.850 2.588 19.964 228 HG2 GLN 27 HG2 GLN 27 -2.338 4.668 21.589 229 HG3 GLN 27 HG1 GLN 27 -0.633 4.273 21.791 230 HE21 GLN 27 HE21 GLN 27 -2.469 6.616 20.474 231 HE22 GLN 27 HE22 GLN 27 -1.527 7.028 19.124 232 H ASN 28 HN ASN 28 -4.255 0.957 20.640 233 HA ASN 28 HA ASN 28 -3.141 -1.160 19.151 234 HB2 ASN 28 HB2 ASN 28 -4.315 -1.546 21.251 235 HB3 ASN 28 HB1 ASN 28 -5.831 -1.031 20.511 236 HD21 ASN 28 HD21 ASN 28 -5.972 -3.551 21.487 237 HD22 ASN 28 HD22 ASN 28 -5.841 -4.714 20.257 238 H LEU 29 HN LEU 29 -6.249 0.485 18.711 239 HA LEU 29 HA LEU 29 -6.892 -0.936 16.323 240 HB2 LEU 29 HB2 LEU 29 -7.976 1.765 17.127 241 HB3 LEU 29 HB1 LEU 29 -8.741 0.550 16.097 242 HG LEU 29 HG LEU 29 -8.078 0.247 19.008 243 HD11 LEU 29 HD11 LEU 29 -10.838 0.239 17.774 244 HD12 LEU 29 HD12 LEU 29 -10.073 1.745 18.285 245 HD13 LEU 29 HD13 LEU 29 -10.399 0.476 19.465 246 HD21 LEU 29 HD21 LEU 29 -9.614 -1.863 18.632 247 HD22 LEU 29 HD22 LEU 29 -7.918 -1.939 18.170 248 HD23 LEU 29 HD23 LEU 29 -9.151 -1.671 16.939 249 H GLN 30 HN GLN 30 -5.379 2.215 17.073 250 HA GLN 30 HA GLN 30 -5.269 2.961 14.311 251 HB2 GLN 30 HB2 GLN 30 -3.729 3.952 16.706 252 HB3 GLN 30 HB1 GLN 30 -3.636 4.675 15.104 253 HG2 GLN 30 HG2 GLN 30 -6.252 4.304 16.578 254 HG3 GLN 30 HG1 GLN 30 -5.298 5.786 16.669 255 HE21 GLN 30 HE21 GLN 30 -7.989 4.804 15.236 256 HE22 GLN 30 HE22 GLN 30 -7.845 5.529 13.708 257 H ASN 31 HN ASN 31 -3.205 1.078 16.414 258 HA ASN 31 HA ASN 31 -0.858 1.185 14.833 259 HB2 ASN 31 HB2 ASN 31 -1.874 -0.768 16.890 260 HB3 ASN 31 HB1 ASN 31 -0.411 -1.127 15.978 261 HD21 ASN 31 HD21 ASN 31 -0.346 -0.701 18.814 262 HD22 ASN 31 HD22 ASN 31 0.507 0.736 19.115 263 H LEU 32 HN LEU 32 -3.658 -0.915 14.818 264 HA LEU 32 HA LEU 32 -2.765 -2.716 12.859 265 HB2 LEU 32 HB2 LEU 32 -5.544 -1.893 13.707 266 HB3 LEU 32 HB1 LEU 32 -5.233 -3.179 12.545 267 HG LEU 32 HG LEU 32 -4.096 -3.130 15.358 268 HD11 LEU 32 HD11 LEU 32 -6.576 -3.254 15.360 269 HD12 LEU 32 HD12 LEU 32 -5.838 -4.750 15.936 270 HD13 LEU 32 HD13 LEU 32 -6.492 -4.662 14.301 271 HD21 LEU 32 HD21 LEU 32 -4.003 -5.719 14.713 272 HD22 LEU 32 HD22 LEU 32 -2.737 -4.634 14.166 273 HD23 LEU 32 HD23 LEU 32 -4.025 -5.100 13.060 274 H PHE 33 HN PHE 33 -4.660 0.258 12.684 275 HA PHE 33 HA PHE 33 -5.057 0.194 9.881 276 HB2 PHE 33 HB2 PHE 33 -6.392 1.624 11.362 277 HB3 PHE 33 HB1 PHE 33 -4.956 2.576 11.747 278 HD1 PHE 33 HD2 PHE 33 -7.024 1.415 8.850 279 HD2 PHE 33 HD1 PHE 33 -4.366 4.418 10.393 280 HE1 PHE 33 HE2 PHE 33 -7.404 2.795 6.825 281 HE2 PHE 33 HE1 PHE 33 -4.747 5.795 8.368 282 HZ PHE 33 HZ PHE 33 -6.266 4.984 6.584 283 H ILE 34 HN ILE 34 -2.692 1.894 11.887 284 HA ILE 34 HA ILE 34 -1.224 3.034 9.738 285 HB ILE 34 HB ILE 34 -0.402 2.367 12.572 286 HG12 ILE 34 HG12 ILE 34 -2.135 4.112 12.383 287 HG13 ILE 34 HG11 ILE 34 -0.618 4.811 12.920 288 HG21 ILE 34 HG21 ILE 34 1.651 2.431 11.391 289 HG22 ILE 34 HG22 ILE 34 1.476 4.040 12.093 290 HG23 ILE 34 HG23 ILE 34 1.124 3.781 10.385 291 HD11 ILE 34 HD3 ILE 34 -0.323 5.204 10.268 292 HD12 ILE 34 HD1 ILE 34 -1.185 6.345 11.299 293 HD13 ILE 34 HD2 ILE 34 -2.079 5.168 10.344 294 H ASN 35 HN ASN 35 -0.729 0.027 11.589 295 HA ASN 35 HA ASN 35 1.584 -0.774 10.185 296 HB2 ASN 35 HB2 ASN 35 0.995 -1.752 12.352 297 HB3 ASN 35 HB1 ASN 35 -0.468 -2.442 11.652 298 HD21 ASN 35 HD21 ASN 35 0.292 -4.647 12.100 299 HD22 ASN 35 HD22 ASN 35 1.535 -5.341 11.175 300 H PHE 36 HN PHE 36 -1.840 -1.542 9.873 301 HA PHE 36 HA PHE 36 -1.541 -3.246 7.650 302 HB2 PHE 36 HB2 PHE 36 -3.553 -3.267 9.051 303 HB3 PHE 36 HB1 PHE 36 -3.978 -1.660 8.449 304 HD1 PHE 36 HD2 PHE 36 -3.048 -5.064 7.187 305 HD2 PHE 36 HD1 PHE 36 -5.402 -1.522 6.583 306 HE1 PHE 36 HE2 PHE 36 -4.139 -6.122 5.229 307 HE2 PHE 36 HE1 PHE 36 -6.494 -2.580 4.626 308 HZ PHE 36 HZ PHE 36 -5.863 -4.880 3.948 309 H ALA 37 HN ALA 37 -1.824 0.237 7.886 310 HA ALA 37 HA ALA 37 -2.415 0.629 5.116 311 HB1 ALA 37 HB1 ALA 37 -1.787 3.014 5.661 312 HB2 ALA 37 HB2 ALA 37 -1.462 2.475 7.308 313 HB3 ALA 37 HB3 ALA 37 -3.091 2.347 6.644 314 H LEU 38 HN LEU 38 0.438 0.516 7.150 315 HA LEU 38 HA LEU 38 2.300 1.514 5.292 316 HB2 LEU 38 HB2 LEU 38 2.528 -0.248 7.717 317 HB3 LEU 38 HB1 LEU 38 3.944 0.074 6.724 318 HG LEU 38 HG LEU 38 2.190 2.275 7.856 319 HD11 LEU 38 HD11 LEU 38 4.723 1.083 9.020 320 HD12 LEU 38 HD12 LEU 38 3.104 0.950 9.707 321 HD13 LEU 38 HD13 LEU 38 3.902 2.520 9.626 322 HD21 LEU 38 HD21 LEU 38 4.858 2.176 6.425 323 HD22 LEU 38 HD22 LEU 38 4.554 3.474 7.575 324 HD23 LEU 38 HD23 LEU 38 3.506 3.278 6.181 325 H ILE 39 HN ILE 39 1.010 -1.732 5.839 326 HA ILE 39 HA ILE 39 2.810 -3.061 4.082 327 HB ILE 39 HB ILE 39 -0.012 -3.747 4.954 328 HG12 ILE 39 HG12 ILE 39 2.647 -4.960 5.766 329 HG13 ILE 39 HG11 ILE 39 1.862 -3.667 6.673 330 HG21 ILE 39 HG21 ILE 39 0.318 -4.928 2.909 331 HG22 ILE 39 HG22 ILE 39 0.717 -6.086 4.177 332 HG23 ILE 39 HG23 ILE 39 2.005 -5.270 3.291 333 HD11 ILE 39 HD3 ILE 39 -0.146 -5.092 6.949 334 HD12 ILE 39 HD1 ILE 39 1.288 -5.848 7.643 335 HD13 ILE 39 HD2 ILE 39 0.671 -6.392 6.083 336 H LEU 40 HN LEU 40 -0.370 -1.609 3.689 337 HA LEU 40 HA LEU 40 -0.698 -2.229 0.926 338 HB2 LEU 40 HB2 LEU 40 -1.935 -0.089 2.652 339 HB3 LEU 40 HB1 LEU 40 -2.400 -0.362 0.976 340 HG LEU 40 HG LEU 40 -2.486 -2.492 3.134 341 HD11 LEU 40 HD11 LEU 40 -5.015 -2.108 2.874 342 HD12 LEU 40 HD12 LEU 40 -4.589 -0.581 2.103 343 HD13 LEU 40 HD13 LEU 40 -4.112 -0.890 3.773 344 HD21 LEU 40 HD21 LEU 40 -3.209 -2.406 0.197 345 HD22 LEU 40 HD22 LEU 40 -4.199 -3.399 1.265 346 HD23 LEU 40 HD23 LEU 40 -2.476 -3.709 1.131 347 H ILE 41 HN ILE 41 0.395 0.713 2.546 348 HA ILE 41 HA ILE 41 0.847 2.183 0.167 349 HB ILE 41 HB ILE 41 0.858 2.929 2.757 350 HG12 ILE 41 HG12 ILE 41 2.201 5.063 1.896 351 HG13 ILE 41 HG11 ILE 41 2.128 4.230 0.343 352 HG21 ILE 41 HG21 ILE 41 3.023 3.453 3.626 353 HG22 ILE 41 HG22 ILE 41 3.815 3.016 2.114 354 HG23 ILE 41 HG23 ILE 41 3.095 1.770 3.118 355 HD11 ILE 41 HD3 ILE 41 -0.434 4.001 0.888 356 HD12 ILE 41 HD1 ILE 41 0.192 5.540 0.296 357 HD13 ILE 41 HD2 ILE 41 -0.121 5.318 2.016 358 H PHE 42 HN PHE 42 3.068 0.166 2.063 359 HA PHE 42 HA PHE 42 5.402 0.617 0.578 360 HB2 PHE 42 HB2 PHE 42 5.372 -0.607 2.712 361 HB3 PHE 42 HB1 PHE 42 4.520 -1.941 1.932 362 HD1 PHE 42 HD1 PHE 42 7.667 0.058 1.815 363 HD2 PHE 42 HD2 PHE 42 5.705 -3.602 0.711 364 HE1 PHE 42 HE1 PHE 42 9.833 -0.874 1.049 365 HE2 PHE 42 HE2 PHE 42 7.872 -4.532 -0.055 366 HZ PHE 42 HZ PHE 42 9.936 -3.168 0.114 367 H LEU 43 HN LEU 43 2.844 -1.800 0.131 368 HA LEU 43 HA LEU 43 3.991 -3.077 -2.111 369 HB2 LEU 43 HB2 LEU 43 1.140 -2.870 -1.147 370 HB3 LEU 43 HB1 LEU 43 1.612 -3.852 -2.528 371 HG LEU 43 HG LEU 43 2.857 -4.145 0.222 372 HD11 LEU 43 HD11 LEU 43 0.522 -5.621 -1.021 373 HD12 LEU 43 HD12 LEU 43 0.493 -4.624 0.433 374 HD13 LEU 43 HD13 LEU 43 1.370 -6.154 0.430 375 HD21 LEU 43 HD21 LEU 43 3.016 -5.686 -2.382 376 HD22 LEU 43 HD22 LEU 43 3.240 -6.544 -0.861 377 HD23 LEU 43 HD23 LEU 43 4.315 -5.222 -1.287 378 H LEU 44 HN LEU 44 1.746 -0.338 -1.811 379 HA LEU 44 HA LEU 44 1.249 -0.084 -4.581 380 HB2 LEU 44 HB2 LEU 44 1.067 1.866 -2.288 381 HB3 LEU 44 HB1 LEU 44 0.601 2.291 -3.930 382 HG LEU 44 HG LEU 44 -0.543 -0.107 -2.470 383 HD11 LEU 44 HD11 LEU 44 -2.546 1.374 -2.084 384 HD12 LEU 44 HD12 LEU 44 -1.560 2.746 -2.588 385 HD13 LEU 44 HD13 LEU 44 -1.123 1.827 -1.148 386 HD21 LEU 44 HD21 LEU 44 -1.044 -0.366 -4.771 387 HD22 LEU 44 HD22 LEU 44 -1.205 1.366 -5.040 388 HD23 LEU 44 HD23 LEU 44 -2.469 0.488 -4.187 389 H LEU 45 HN LEU 45 3.730 1.265 -2.434 390 HA LEU 45 HA LEU 45 4.831 3.085 -4.271 391 HB2 LEU 45 HB2 LEU 45 5.984 1.688 -1.877 392 HB3 LEU 45 HB1 LEU 45 6.903 2.868 -2.803 393 HG LEU 45 HG LEU 45 4.166 3.468 -1.646 394 HD11 LEU 45 HD11 LEU 45 5.533 2.933 0.245 395 HD12 LEU 45 HD12 LEU 45 5.489 4.693 0.147 396 HD13 LEU 45 HD13 LEU 45 6.910 3.813 -0.416 397 HD21 LEU 45 HD21 LEU 45 4.633 5.154 -3.230 398 HD22 LEU 45 HD22 LEU 45 6.366 5.108 -2.935 399 HD23 LEU 45 HD23 LEU 45 5.296 5.871 -1.766 400 H ILE 46 HN ILE 46 5.670 -0.322 -3.685 401 HA ILE 46 HA ILE 46 7.905 -0.255 -5.438 402 HB ILE 46 HB ILE 46 7.150 -2.104 -3.659 403 HG12 ILE 46 HG12 ILE 46 8.598 -3.781 -4.887 404 HG13 ILE 46 HG11 ILE 46 8.599 -2.688 -6.266 405 HG21 ILE 46 HG21 ILE 46 5.112 -2.660 -5.139 406 HG22 ILE 46 HG22 ILE 46 6.051 -4.007 -4.520 407 HG23 ILE 46 HG23 ILE 46 6.252 -3.486 -6.192 408 HD11 ILE 46 HD3 ILE 46 10.519 -2.646 -4.369 409 HD12 ILE 46 HD1 ILE 46 9.401 -1.493 -3.640 410 HD13 ILE 46 HD2 ILE 46 10.039 -1.205 -5.258 411 H ALA 47 HN ALA 47 4.490 -0.874 -5.886 412 HA ALA 47 HA ALA 47 4.516 -1.808 -8.535 413 HB1 ALA 47 HB1 ALA 47 2.217 -1.238 -8.638 414 HB2 ALA 47 HB2 ALA 47 2.404 0.061 -7.460 415 HB3 ALA 47 HB3 ALA 47 2.513 -1.621 -6.942 416 H ILE 48 HN ILE 48 4.335 1.513 -7.278 417 HA ILE 48 HA ILE 48 4.246 2.828 -9.774 418 HB ILE 48 HB ILE 48 5.246 3.749 -7.071 419 HG12 ILE 48 HG12 ILE 48 2.689 4.415 -8.558 420 HG13 ILE 48 HG11 ILE 48 2.805 3.103 -7.384 421 HG21 ILE 48 HG21 ILE 48 4.827 5.250 -9.668 422 HG22 ILE 48 HG22 ILE 48 6.281 5.198 -8.672 423 HG23 ILE 48 HG23 ILE 48 4.853 6.057 -8.100 424 HD11 ILE 48 HD3 ILE 48 1.970 5.110 -6.271 425 HD12 ILE 48 HD1 ILE 48 3.353 6.036 -6.850 426 HD13 ILE 48 HD2 ILE 48 3.588 4.740 -5.677 427 H ILE 49 HN ILE 49 6.965 1.945 -7.677 428 HA ILE 49 HA ILE 49 8.993 3.123 -9.271 429 HB ILE 49 HB ILE 49 9.072 0.836 -7.324 430 HG12 ILE 49 HG12 ILE 49 8.478 2.996 -6.311 431 HG13 ILE 49 HG11 ILE 49 10.082 2.508 -5.794 432 HG21 ILE 49 HG21 ILE 49 11.301 2.213 -8.810 433 HG22 ILE 49 HG22 ILE 49 10.990 0.485 -8.648 434 HG23 ILE 49 HG23 ILE 49 11.584 1.406 -7.266 435 HD11 ILE 49 HD3 ILE 49 10.480 4.725 -6.330 436 HD12 ILE 49 HD1 ILE 49 9.257 4.752 -7.593 437 HD13 ILE 49 HD2 ILE 49 10.817 3.998 -7.897 438 H VAL 50 HN VAL 50 7.645 -0.134 -9.140 439 HA VAL 50 HA VAL 50 9.337 -1.277 -11.089 440 HB VAL 50 HB VAL 50 6.541 -1.992 -10.168 441 HG11 VAL 50 HG11 VAL 50 6.667 -2.893 -12.377 442 HG12 VAL 50 HG12 VAL 50 7.085 -4.226 -11.302 443 HG13 VAL 50 HG13 VAL 50 8.354 -3.362 -12.169 444 HG21 VAL 50 HG21 VAL 50 9.143 -3.484 -9.751 445 HG22 VAL 50 HG22 VAL 50 7.630 -3.662 -8.863 446 HG23 VAL 50 HG23 VAL 50 8.612 -2.215 -8.647 447 H MET 51 HN MET 51 6.128 0.237 -11.300 448 HA MET 51 HA MET 51 5.893 -0.048 -14.109 449 HB2 MET 51 HB2 MET 51 4.486 1.659 -12.059 450 HB3 MET 51 HB1 MET 51 4.139 1.830 -13.779 451 HG2 MET 51 HG2 MET 51 3.649 -0.637 -13.863 452 HG3 MET 51 HG1 MET 51 3.837 -0.687 -12.111 453 HE1 MET 51 HE1 MET 51 0.948 1.127 -10.631 454 HE2 MET 51 HE2 MET 51 2.425 2.006 -10.999 455 HE3 MET 51 HE3 MET 51 2.525 0.334 -10.462 456 H LEU 52 HN LEU 52 7.456 2.338 -12.022 457 HA LEU 52 HA LEU 52 7.580 4.449 -13.854 458 HB2 LEU 52 HB2 LEU 52 8.175 4.730 -11.507 459 HB3 LEU 52 HB1 LEU 52 9.555 3.658 -11.710 460 HG LEU 52 HG LEU 52 10.595 5.236 -13.274 461 HD11 LEU 52 HD11 LEU 52 9.431 7.590 -13.354 462 HD12 LEU 52 HD12 LEU 52 7.970 6.691 -12.948 463 HD13 LEU 52 HD13 LEU 52 8.854 6.316 -14.427 464 HD21 LEU 52 HD21 LEU 52 10.964 7.105 -11.659 465 HD22 LEU 52 HD22 LEU 52 11.054 5.521 -10.888 466 HD23 LEU 52 HD23 LEU 52 9.607 6.512 -10.702 467 H LEU 53 HN LEU 53 9.681 1.634 -13.458 468 HA LEU 53 HA LEU 53 11.734 2.377 -15.201 469 HB2 LEU 53 HB2 LEU 53 10.615 -0.409 -14.830 470 HB3 LEU 53 HB1 LEU 53 12.233 0.014 -15.386 471 HG LEU 53 HG LEU 53 11.093 0.688 -12.660 472 HD11 LEU 53 HD11 LEU 53 11.538 -1.735 -13.012 473 HD12 LEU 53 HD12 LEU 53 12.621 -1.022 -11.816 474 HD13 LEU 53 HD13 LEU 53 13.201 -1.345 -13.450 475 HD21 LEU 53 HD21 LEU 53 12.708 2.354 -13.082 476 HD22 LEU 53 HD22 LEU 53 13.723 1.276 -14.040 477 HD23 LEU 53 HD23 LEU 53 13.671 1.111 -12.285 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -16.612 31.028 7.886 2 H2 ALA 1 HT2 ALA 1 -15.248 32.038 7.821 3 H3 ALA 1 HT3 ALA 1 -16.503 32.364 8.920 4 HA ALA 1 HA ALA 1 -15.483 29.724 9.257 5 HB1 ALA 1 HB1 ALA 1 -13.277 30.348 10.101 6 HB2 ALA 1 HB2 ALA 1 -13.572 32.039 9.698 7 HB3 ALA 1 HB3 ALA 1 -13.417 30.840 8.414 8 H MET 2 HN MET 2 -16.070 29.168 11.270 9 HA MET 2 HA MET 2 -17.343 31.139 12.973 10 HB2 MET 2 HB2 MET 2 -16.937 28.152 13.217 11 HB3 MET 2 HB1 MET 2 -17.765 29.124 14.435 12 HG2 MET 2 HG2 MET 2 -19.409 29.860 12.784 13 HG3 MET 2 HG1 MET 2 -18.556 28.985 11.514 14 HE1 MET 2 HE1 MET 2 -21.061 27.411 14.965 15 HE2 MET 2 HE2 MET 2 -20.309 28.988 14.760 16 HE3 MET 2 HE3 MET 2 -19.344 27.637 15.341 17 H GLU 3 HN GLU 3 -16.843 31.182 15.331 18 HA GLU 3 HA GLU 3 -14.147 31.912 15.773 19 HB2 GLU 3 HB2 GLU 3 -14.807 32.150 18.120 20 HB3 GLU 3 HB1 GLU 3 -16.019 32.857 17.051 21 HG2 GLU 3 HG2 GLU 3 -17.338 30.748 17.206 22 HG3 GLU 3 HG1 GLU 3 -16.162 30.131 18.365 23 H LYS 4 HN LYS 4 -15.937 28.950 16.407 24 HA LYS 4 HA LYS 4 -14.018 27.694 18.062 25 HB2 LYS 4 HB2 LYS 4 -16.150 26.545 16.258 26 HB3 LYS 4 HB1 LYS 4 -15.186 25.585 17.381 27 HG2 LYS 4 HG2 LYS 4 -15.987 26.958 19.262 28 HG3 LYS 4 HG1 LYS 4 -16.948 27.930 18.146 29 HD2 LYS 4 HD2 LYS 4 -18.227 25.928 17.487 30 HD3 LYS 4 HD1 LYS 4 -17.273 24.952 18.606 31 HE2 LYS 4 HE2 LYS 4 -18.080 26.306 20.497 32 HE3 LYS 4 HE1 LYS 4 -19.021 27.304 19.388 33 HZ1 LYS 4 HZ1 LYS 4 -19.411 24.409 19.289 34 HZ2 LYS 4 HZ2 LYS 4 -20.527 25.664 19.030 35 HZ3 LYS 4 HZ3 LYS 4 -20.067 25.241 20.610 36 H VAL 5 HN VAL 5 -13.899 28.478 14.769 37 HA VAL 5 HA VAL 5 -12.466 26.270 13.740 38 HB VAL 5 HB VAL 5 -12.459 29.161 12.873 39 HG11 VAL 5 HG11 VAL 5 -11.357 26.651 11.597 40 HG12 VAL 5 HG12 VAL 5 -10.499 28.151 11.953 41 HG13 VAL 5 HG13 VAL 5 -11.711 28.111 10.672 42 HG21 VAL 5 HG21 VAL 5 -14.152 28.504 11.312 43 HG22 VAL 5 HG22 VAL 5 -14.644 27.816 12.859 44 HG23 VAL 5 HG23 VAL 5 -13.886 26.792 11.641 45 H GLN 6 HN GLN 6 -11.404 29.326 15.146 46 HA GLN 6 HA GLN 6 -8.633 28.917 14.821 47 HB2 GLN 6 HB2 GLN 6 -10.099 30.552 16.897 48 HB3 GLN 6 HB1 GLN 6 -8.372 30.660 16.555 49 HG2 GLN 6 HG2 GLN 6 -10.559 31.157 14.517 50 HG3 GLN 6 HG1 GLN 6 -9.695 32.423 15.386 51 HE21 GLN 6 HE21 GLN 6 -9.721 31.010 12.435 52 HE22 GLN 6 HE22 GLN 6 -8.073 31.100 12.041 53 H TYR 7 HN TYR 7 -10.759 28.277 17.564 54 HA TYR 7 HA TYR 7 -8.768 27.278 19.295 55 HB2 TYR 7 HB2 TYR 7 -10.923 27.927 20.165 56 HB3 TYR 7 HB1 TYR 7 -11.738 26.731 19.159 57 HD1 TYR 7 HD1 TYR 7 -9.350 27.146 21.989 58 HD2 TYR 7 HD2 TYR 7 -11.929 24.459 19.848 59 HE1 TYR 7 HE1 TYR 7 -9.062 25.445 23.773 60 HE2 TYR 7 HE2 TYR 7 -11.640 22.759 21.630 61 HH TYR 7 HH TYR 7 -9.479 22.444 23.538 62 H LEU 8 HN LEU 8 -11.077 25.581 17.184 63 HA LEU 8 HA LEU 8 -10.281 22.982 17.688 64 HB2 LEU 8 HB2 LEU 8 -11.372 24.301 15.214 65 HB3 LEU 8 HB1 LEU 8 -11.014 22.576 15.240 66 HG LEU 8 HG LEU 8 -12.783 23.911 17.313 67 HD11 LEU 8 HD11 LEU 8 -13.888 24.315 15.234 68 HD12 LEU 8 HD12 LEU 8 -14.673 22.898 15.930 69 HD13 LEU 8 HD13 LEU 8 -13.496 22.704 14.631 70 HD21 LEU 8 HD21 LEU 8 -12.186 21.767 18.142 71 HD22 LEU 8 HD22 LEU 8 -12.155 21.042 16.541 72 HD23 LEU 8 HD23 LEU 8 -13.693 21.425 17.301 73 H THR 9 HN THR 9 -8.879 25.368 15.486 74 HA THR 9 HA THR 9 -7.023 23.674 14.212 75 HB THR 9 HB THR 9 -6.803 26.624 14.843 76 HG1 THR 9 HG1 THR 9 -8.030 26.880 13.158 77 HG21 THR 9 HG21 THR 9 -5.234 24.786 13.038 78 HG22 THR 9 HG22 THR 9 -4.621 25.858 14.298 79 HG23 THR 9 HG23 THR 9 -5.270 26.534 12.804 80 H ARG 10 HN ARG 10 -6.754 25.709 17.121 81 HA ARG 10 HA ARG 10 -4.078 25.135 17.721 82 HB2 ARG 10 HB2 ARG 10 -5.392 26.955 18.798 83 HB3 ARG 10 HB1 ARG 10 -6.322 25.732 19.665 84 HG2 ARG 10 HG2 ARG 10 -4.331 24.931 20.796 85 HG3 ARG 10 HG1 ARG 10 -3.310 25.999 19.835 86 HD2 ARG 10 HD2 ARG 10 -3.679 26.992 22.032 87 HD3 ARG 10 HD1 ARG 10 -4.484 27.962 20.805 88 HE ARG 10 HE ARG 10 -6.249 25.994 21.908 89 HH11 ARG 10 HH21 ARG 10 -4.712 29.042 22.489 90 HH12 ARG 10 HH22 ARG 10 -5.944 29.613 23.563 91 HH21 ARG 10 HH11 ARG 10 -7.867 26.739 23.313 92 HH22 ARG 10 HH12 ARG 10 -7.731 28.310 24.029 93 H SER 11 HN SER 11 -7.085 23.541 18.633 94 HA SER 11 HA SER 11 -5.864 21.568 20.281 95 HB2 SER 11 HB2 SER 11 -7.996 20.339 20.014 96 HB3 SER 11 HB1 SER 11 -8.261 22.023 20.443 97 HG SER 11 HG1 SER 11 -9.423 20.921 18.541 98 H ALA 12 HN ALA 12 -6.395 21.911 16.899 99 HA ALA 12 HA ALA 12 -6.112 19.277 16.013 100 HB1 ALA 12 HB1 ALA 12 -6.583 21.428 14.621 101 HB2 ALA 12 HB2 ALA 12 -5.690 20.111 13.867 102 HB3 ALA 12 HB3 ALA 12 -4.828 21.525 14.473 103 H ILE 13 HN ILE 13 -3.766 21.642 17.028 104 HA ILE 13 HA ILE 13 -1.528 19.958 16.319 105 HB ILE 13 HB ILE 13 -1.674 22.637 16.675 106 HG12 ILE 13 HG12 ILE 13 0.830 21.009 17.263 107 HG13 ILE 13 HG11 ILE 13 0.218 21.373 15.649 108 HG21 ILE 13 HG21 ILE 13 -0.830 23.436 18.717 109 HG22 ILE 13 HG22 ILE 13 -0.200 21.862 19.202 110 HG23 ILE 13 HG23 ILE 13 -1.920 22.167 19.240 111 HD11 ILE 13 HD3 ILE 13 1.890 23.017 16.089 112 HD12 ILE 13 HD1 ILE 13 1.266 23.320 17.710 113 HD13 ILE 13 HD2 ILE 13 0.342 23.837 16.298 114 H ARG 14 HN ARG 14 -3.361 20.611 19.245 115 HA ARG 14 HA ARG 14 -1.631 19.170 21.020 116 HB2 ARG 14 HB2 ARG 14 -3.327 20.812 21.802 117 HB3 ARG 14 HB1 ARG 14 -4.599 19.694 21.305 118 HG2 ARG 14 HG2 ARG 14 -3.767 17.997 22.860 119 HG3 ARG 14 HG1 ARG 14 -2.434 19.054 23.327 120 HD2 ARG 14 HD2 ARG 14 -4.200 19.222 24.995 121 HD3 ARG 14 HD1 ARG 14 -4.073 20.742 24.111 122 HE ARG 14 HE ARG 14 -6.038 18.819 23.108 123 HH11 ARG 14 HH21 ARG 14 -5.349 21.622 25.030 124 HH12 ARG 14 HH22 ARG 14 -6.980 22.198 25.015 125 HH21 ARG 14 HH11 ARG 14 -8.173 19.572 23.088 126 HH22 ARG 14 HH12 ARG 14 -8.580 21.039 23.916 127 H ARG 15 HN ARG 15 -4.514 18.340 19.250 128 HA ARG 15 HA ARG 15 -4.961 15.761 20.116 129 HB2 ARG 15 HB2 ARG 15 -5.424 17.111 17.451 130 HB3 ARG 15 HB1 ARG 15 -5.977 15.483 17.799 131 HG2 ARG 15 HG2 ARG 15 -7.334 16.235 19.636 132 HG3 ARG 15 HG1 ARG 15 -6.657 17.855 19.531 133 HD2 ARG 15 HD2 ARG 15 -7.665 18.197 17.360 134 HD3 ARG 15 HD1 ARG 15 -8.239 16.534 17.317 135 HE ARG 15 HE ARG 15 -9.321 17.641 19.615 136 HH11 ARG 15 HH21 ARG 15 -9.315 18.305 16.220 137 HH12 ARG 15 HH22 ARG 15 -10.888 19.031 16.216 138 HH21 ARG 15 HH11 ARG 15 -11.387 18.589 19.625 139 HH22 ARG 15 HH12 ARG 15 -12.064 19.193 18.150 140 H ALA 16 HN ALA 16 -2.676 17.006 17.706 141 HA ALA 16 HA ALA 16 -1.869 14.525 16.671 142 HB1 ALA 16 HB1 ALA 16 0.179 15.618 15.977 143 HB2 ALA 16 HB2 ALA 16 -0.042 16.891 17.178 144 HB3 ALA 16 HB3 ALA 16 -1.130 16.784 15.794 145 H SER 17 HN SER 17 -1.453 16.093 19.635 146 HA SER 17 HA SER 17 0.717 14.391 20.596 147 HB2 SER 17 HB2 SER 17 0.091 16.887 21.306 148 HB3 SER 17 HB1 SER 17 -0.907 16.064 22.496 149 HG SER 17 HG1 SER 17 1.762 16.402 22.426 150 H THR 18 HN THR 18 -2.650 14.972 21.780 151 HA THR 18 HA THR 18 -2.808 12.102 22.496 152 HB THR 18 HB THR 18 -2.505 13.365 24.510 153 HG1 THR 18 HG1 THR 18 -4.561 11.876 23.999 154 HG21 THR 18 HG21 THR 18 -4.850 15.031 23.577 155 HG22 THR 18 HG22 THR 18 -3.166 15.559 23.610 156 HG23 THR 18 HG23 THR 18 -4.006 15.201 25.116 157 H ILE 19 HN ILE 19 -3.815 13.161 20.044 158 HA ILE 19 HA ILE 19 -6.404 13.923 19.719 159 HB ILE 19 HB ILE 19 -5.161 13.313 17.761 160 HG12 ILE 19 HG12 ILE 19 -6.601 11.751 16.531 161 HG13 ILE 19 HG11 ILE 19 -7.315 11.155 18.013 162 HG21 ILE 19 HG21 ILE 19 -4.970 10.609 19.069 163 HG22 ILE 19 HG22 ILE 19 -3.664 11.716 18.657 164 HG23 ILE 19 HG23 ILE 19 -4.550 10.885 17.380 165 HD11 ILE 19 HD3 ILE 19 -8.272 13.414 18.437 166 HD12 ILE 19 HD1 ILE 19 -8.797 12.768 16.886 167 HD13 ILE 19 HD2 ILE 19 -7.534 13.988 16.945 168 H GLU 20 HN GLU 20 -5.273 10.930 21.047 169 HA GLU 20 HA GLU 20 -7.986 10.222 21.969 170 HB2 GLU 20 HB2 GLU 20 -7.675 8.918 19.949 171 HB3 GLU 20 HB1 GLU 20 -6.090 8.387 20.492 172 HG2 GLU 20 HG2 GLU 20 -7.056 7.133 22.322 173 HG3 GLU 20 HG1 GLU 20 -8.657 7.805 21.986 174 H MET 21 HN MET 21 -7.482 10.715 24.059 175 HA MET 21 HA MET 21 -5.259 10.415 25.556 176 HB2 MET 21 HB2 MET 21 -8.140 10.297 26.141 177 HB3 MET 21 HB1 MET 21 -7.195 9.398 27.335 178 HG2 MET 21 HG2 MET 21 -6.717 12.296 26.509 179 HG3 MET 21 HG1 MET 21 -7.545 11.780 27.979 180 HE1 MET 21 HE1 MET 21 -5.509 13.589 28.875 181 HE2 MET 21 HE2 MET 21 -4.828 13.563 27.255 182 HE3 MET 21 HE3 MET 21 -3.791 13.217 28.636 183 HA PRO 22 HA PRO 22 -6.339 5.608 26.493 184 HB2 PRO 22 HB2 PRO 22 -7.161 5.227 23.634 185 HB3 PRO 22 HB1 PRO 22 -7.641 4.288 25.067 186 HG2 PRO 22 HG2 PRO 22 -9.262 6.140 23.994 187 HG3 PRO 22 HG1 PRO 22 -9.193 5.855 25.744 188 HD2 PRO 22 HD2 PRO 22 -8.217 8.210 24.239 189 HD3 PRO 22 HD1 PRO 22 -8.551 8.045 25.971 190 H GLN 23 HN GLN 23 -4.387 4.828 26.537 191 HA GLN 23 HA GLN 23 -2.402 5.452 24.464 192 HB2 GLN 23 HB2 GLN 23 -2.183 4.137 27.180 193 HB3 GLN 23 HB1 GLN 23 -0.820 4.377 26.086 194 HG2 GLN 23 HG2 GLN 23 -1.209 6.798 26.086 195 HG3 GLN 23 HG1 GLN 23 -2.607 6.583 27.139 196 HE21 GLN 23 HE21 GLN 23 -0.910 8.197 28.344 197 HE22 GLN 23 HE22 GLN 23 0.085 7.413 29.473 198 H GLN 24 HN GLN 24 -4.627 3.062 25.052 199 HA GLN 24 HA GLN 24 -2.986 0.889 23.849 200 HB2 GLN 24 HB2 GLN 24 -5.646 0.872 25.297 201 HB3 GLN 24 HB1 GLN 24 -4.933 -0.543 24.516 202 HG2 GLN 24 HG2 GLN 24 -2.964 -0.393 25.942 203 HG3 GLN 24 HG1 GLN 24 -3.576 1.086 26.679 204 HE21 GLN 24 HE21 GLN 24 -3.032 -1.678 27.875 205 HE22 GLN 24 HE22 GLN 24 -4.487 -2.091 28.644 206 H ALA 25 HN ALA 25 -6.235 2.260 23.672 207 HA ALA 25 HA ALA 25 -6.880 1.077 21.182 208 HB1 ALA 25 HB1 ALA 25 -8.744 1.714 22.426 209 HB2 ALA 25 HB2 ALA 25 -8.692 2.953 21.178 210 HB3 ALA 25 HB3 ALA 25 -8.076 3.295 22.787 211 H ARG 26 HN ARG 26 -5.403 4.184 21.939 212 HA ARG 26 HA ARG 26 -5.661 5.364 19.442 213 HB2 ARG 26 HB2 ARG 26 -4.954 6.558 21.450 214 HB3 ARG 26 HB1 ARG 26 -3.441 5.648 21.474 215 HG2 ARG 26 HG2 ARG 26 -2.845 6.568 19.295 216 HG3 ARG 26 HG1 ARG 26 -4.374 7.432 19.232 217 HD2 ARG 26 HD2 ARG 26 -3.709 8.632 21.324 218 HD3 ARG 26 HD1 ARG 26 -2.138 7.847 21.222 219 HE ARG 26 HE ARG 26 -2.885 9.257 18.814 220 HH11 ARG 26 HH21 ARG 26 -1.475 9.463 21.965 221 HH12 ARG 26 HH22 ARG 26 -0.531 10.869 21.602 222 HH21 ARG 26 HH11 ARG 26 -1.657 11.093 18.324 223 HH22 ARG 26 HH12 ARG 26 -0.635 11.796 19.533 224 H GLN 27 HN GLN 27 -3.143 3.170 20.723 225 HA GLN 27 HA GLN 27 -1.721 3.234 18.165 226 HB2 GLN 27 HB2 GLN 27 -1.164 1.836 20.785 227 HB3 GLN 27 HB1 GLN 27 -0.141 1.713 19.350 228 HG2 GLN 27 HG2 GLN 27 0.210 4.128 19.341 229 HG3 GLN 27 HG1 GLN 27 -0.884 4.316 20.711 230 HE21 GLN 27 HE21 GLN 27 2.381 4.052 19.925 231 HE22 GLN 27 HE22 GLN 27 2.966 3.542 21.435 232 H ASN 28 HN ASN 28 -3.798 0.998 19.979 233 HA ASN 28 HA ASN 28 -3.199 -1.310 18.465 234 HB2 ASN 28 HB2 ASN 28 -5.718 -0.499 19.900 235 HB3 ASN 28 HB1 ASN 28 -5.452 -2.099 19.220 236 HD21 ASN 28 HD21 ASN 28 -2.442 -1.760 20.015 237 HD22 ASN 28 HD22 ASN 28 -2.446 -2.125 21.669 238 H LEU 29 HN LEU 29 -5.830 1.018 18.086 239 HA LEU 29 HA LEU 29 -6.848 -0.121 15.691 240 HB2 LEU 29 HB2 LEU 29 -7.153 2.745 16.595 241 HB3 LEU 29 HB1 LEU 29 -8.226 1.827 15.539 242 HG LEU 29 HG LEU 29 -7.643 1.142 18.405 243 HD11 LEU 29 HD11 LEU 29 -10.151 2.362 17.229 244 HD12 LEU 29 HD12 LEU 29 -8.926 3.269 18.114 245 HD13 LEU 29 HD13 LEU 29 -9.851 2.009 18.932 246 HD21 LEU 29 HD21 LEU 29 -8.293 -0.872 17.361 247 HD22 LEU 29 HD22 LEU 29 -9.415 -0.057 16.274 248 HD23 LEU 29 HD23 LEU 29 -9.824 -0.254 17.976 249 H GLN 30 HN GLN 30 -4.617 2.577 16.428 250 HA GLN 30 HA GLN 30 -4.354 3.289 13.673 251 HB2 GLN 30 HB2 GLN 30 -2.606 3.910 16.050 252 HB3 GLN 30 HB1 GLN 30 -2.380 4.600 14.447 253 HG2 GLN 30 HG2 GLN 30 -4.982 4.816 15.979 254 HG3 GLN 30 HG1 GLN 30 -3.729 6.060 16.011 255 HE21 GLN 30 HE21 GLN 30 -6.610 5.679 14.679 256 HE22 GLN 30 HE22 GLN 30 -6.356 6.322 13.128 257 H ASN 31 HN ASN 31 -2.762 0.955 15.717 258 HA ASN 31 HA ASN 31 -0.444 0.592 14.141 259 HB2 ASN 31 HB2 ASN 31 -0.466 -0.347 16.355 260 HB3 ASN 31 HB1 ASN 31 -1.887 -1.329 15.986 261 HD21 ASN 31 HD21 ASN 31 -1.147 -3.468 15.915 262 HD22 ASN 31 HD22 ASN 31 0.233 -3.979 15.072 263 H LEU 32 HN LEU 32 -3.628 -0.885 14.058 264 HA LEU 32 HA LEU 32 -3.086 -2.735 12.006 265 HB2 LEU 32 HB2 LEU 32 -5.668 -1.473 12.913 266 HB3 LEU 32 HB1 LEU 32 -5.576 -2.777 11.734 267 HG LEU 32 HG LEU 32 -4.440 -2.953 14.540 268 HD11 LEU 32 HD11 LEU 32 -7.072 -3.994 13.443 269 HD12 LEU 32 HD12 LEU 32 -6.885 -2.666 14.589 270 HD13 LEU 32 HD13 LEU 32 -6.441 -4.307 15.060 271 HD21 LEU 32 HD21 LEU 32 -3.348 -4.642 13.313 272 HD22 LEU 32 HD22 LEU 32 -4.704 -4.878 12.215 273 HD23 LEU 32 HD23 LEU 32 -4.778 -5.513 13.854 274 H PHE 33 HN PHE 33 -4.515 0.503 11.984 275 HA PHE 33 HA PHE 33 -4.926 0.625 9.184 276 HB2 PHE 33 HB2 PHE 33 -6.051 2.173 10.709 277 HB3 PHE 33 HB1 PHE 33 -4.498 2.870 11.176 278 HD1 PHE 33 HD1 PHE 33 -6.715 2.273 8.217 279 HD2 PHE 33 HD2 PHE 33 -3.547 4.631 9.910 280 HE1 PHE 33 HE1 PHE 33 -6.834 3.823 6.284 281 HE2 PHE 33 HE2 PHE 33 -3.667 6.180 7.977 282 HZ PHE 33 HZ PHE 33 -5.310 5.776 6.165 283 H ILE 34 HN ILE 34 -2.346 1.859 11.250 284 HA ILE 34 HA ILE 34 -0.732 2.919 9.174 285 HB ILE 34 HB ILE 34 -0.032 1.965 11.962 286 HG12 ILE 34 HG12 ILE 34 -0.201 4.776 10.841 287 HG13 ILE 34 HG11 ILE 34 -1.580 3.973 11.585 288 HG21 ILE 34 HG21 ILE 34 2.018 1.855 10.734 289 HG22 ILE 34 HG22 ILE 34 2.043 3.412 11.564 290 HG23 ILE 34 HG23 ILE 34 1.649 3.334 9.848 291 HD11 ILE 34 HD3 ILE 34 -0.415 5.342 13.250 292 HD12 ILE 34 HD1 ILE 34 1.094 4.495 12.910 293 HD13 ILE 34 HD2 ILE 34 -0.252 3.631 13.652 294 H ASN 35 HN ASN 35 -0.657 -0.236 10.847 295 HA ASN 35 HA ASN 35 1.521 -1.264 9.363 296 HB2 ASN 35 HB2 ASN 35 0.815 -2.216 11.529 297 HB3 ASN 35 HB1 ASN 35 -0.690 -2.749 10.782 298 HD21 ASN 35 HD21 ASN 35 -0.511 -4.993 10.547 299 HD22 ASN 35 HD22 ASN 35 0.836 -5.784 9.883 300 H PHE 36 HN PHE 36 -1.983 -1.527 9.075 301 HA PHE 36 HA PHE 36 -1.921 -3.229 6.825 302 HB2 PHE 36 HB2 PHE 36 -3.911 -3.060 8.243 303 HB3 PHE 36 HB1 PHE 36 -4.142 -1.392 7.706 304 HD1 PHE 36 HD1 PHE 36 -3.626 -4.820 6.281 305 HD2 PHE 36 HD2 PHE 36 -5.567 -1.007 5.882 306 HE1 PHE 36 HE1 PHE 36 -4.849 -5.649 4.292 307 HE2 PHE 36 HE2 PHE 36 -6.790 -1.839 3.892 308 HZ PHE 36 HZ PHE 36 -6.430 -4.159 3.097 309 H ALA 37 HN ALA 37 -1.883 0.287 7.130 310 HA ALA 37 HA ALA 37 -2.430 0.749 4.367 311 HB1 ALA 37 HB1 ALA 37 -1.324 2.497 6.573 312 HB2 ALA 37 HB2 ALA 37 -2.970 2.490 5.938 313 HB3 ALA 37 HB3 ALA 37 -1.642 3.071 4.935 314 H LEU 38 HN LEU 38 0.411 0.393 6.396 315 HA LEU 38 HA LEU 38 2.341 1.279 4.552 316 HB2 LEU 38 HB2 LEU 38 2.419 -0.551 6.936 317 HB3 LEU 38 HB1 LEU 38 3.861 -0.326 5.956 318 HG LEU 38 HG LEU 38 2.320 2.043 7.055 319 HD11 LEU 38 HD11 LEU 38 4.617 0.570 8.388 320 HD12 LEU 38 HD12 LEU 38 2.945 0.572 8.949 321 HD13 LEU 38 HD13 LEU 38 3.881 2.066 8.962 322 HD21 LEU 38 HD21 LEU 38 3.930 2.724 5.404 323 HD22 LEU 38 HD22 LEU 38 5.143 1.602 6.007 324 HD23 LEU 38 HD23 LEU 38 4.711 3.021 6.950 325 H ILE 39 HN ILE 39 0.810 -1.875 5.010 326 HA ILE 39 HA ILE 39 2.518 -3.271 3.202 327 HB ILE 39 HB ILE 39 -0.324 -3.797 4.109 328 HG12 ILE 39 HG12 ILE 39 1.342 -3.968 5.907 329 HG13 ILE 39 HG11 ILE 39 0.737 -5.565 5.492 330 HG21 ILE 39 HG21 ILE 39 1.508 -5.417 2.346 331 HG22 ILE 39 HG22 ILE 39 -0.169 -4.956 2.059 332 HG23 ILE 39 HG23 ILE 39 0.214 -6.173 3.278 333 HD11 ILE 39 HD3 ILE 39 3.455 -4.399 5.098 334 HD12 ILE 39 HD1 ILE 39 2.890 -5.519 3.859 335 HD13 ILE 39 HD2 ILE 39 2.993 -6.039 5.535 336 H LEU 40 HN LEU 40 -0.579 -1.602 2.871 337 HA LEU 40 HA LEU 40 -0.939 -2.161 0.098 338 HB2 LEU 40 HB2 LEU 40 -2.056 0.033 1.842 339 HB3 LEU 40 HB1 LEU 40 -2.539 -0.218 0.168 340 HG LEU 40 HG LEU 40 -2.742 -2.337 2.331 341 HD11 LEU 40 HD11 LEU 40 -5.264 -1.818 2.026 342 HD12 LEU 40 HD12 LEU 40 -4.729 -0.295 1.320 343 HD13 LEU 40 HD13 LEU 40 -4.305 -0.692 2.986 344 HD21 LEU 40 HD21 LEU 40 -3.459 -2.218 -0.605 345 HD22 LEU 40 HD22 LEU 40 -4.491 -3.163 0.465 346 HD23 LEU 40 HD23 LEU 40 -2.785 -3.552 0.329 347 H ILE 41 HN ILE 41 0.308 0.696 1.782 348 HA ILE 41 HA ILE 41 0.879 2.205 -0.521 349 HB ILE 41 HB ILE 41 1.998 2.243 2.276 350 HG12 ILE 41 HG12 ILE 41 -0.381 2.873 2.044 351 HG13 ILE 41 HG11 ILE 41 0.592 4.257 2.513 352 HG21 ILE 41 HG21 ILE 41 2.773 4.592 1.601 353 HG22 ILE 41 HG22 ILE 41 2.619 4.024 -0.061 354 HG23 ILE 41 HG23 ILE 41 3.731 3.222 1.043 355 HD11 ILE 41 HD3 ILE 41 0.625 4.519 -0.222 356 HD12 ILE 41 HD1 ILE 41 -0.564 5.285 0.833 357 HD13 ILE 41 HD2 ILE 41 -0.946 3.767 0.029 358 H PHE 42 HN PHE 42 2.992 0.056 1.404 359 HA PHE 42 HA PHE 42 5.336 0.467 -0.064 360 HB2 PHE 42 HB2 PHE 42 5.313 -0.754 2.053 361 HB3 PHE 42 HB1 PHE 42 4.387 -2.059 1.305 362 HD1 PHE 42 HD1 PHE 42 7.603 -0.171 1.025 363 HD2 PHE 42 HD2 PHE 42 5.488 -3.809 0.157 364 HE1 PHE 42 HE1 PHE 42 9.709 -1.206 0.222 365 HE2 PHE 42 HE2 PHE 42 7.595 -4.843 -0.644 366 HZ PHE 42 HZ PHE 42 9.705 -3.541 -0.612 367 H LEU 43 HN LEU 43 2.743 -1.900 -0.555 368 HA LEU 43 HA LEU 43 3.879 -3.182 -2.805 369 HB2 LEU 43 HB2 LEU 43 1.042 -2.972 -1.801 370 HB3 LEU 43 HB1 LEU 43 1.488 -3.947 -3.198 371 HG LEU 43 HG LEU 43 2.781 -4.261 -0.470 372 HD11 LEU 43 HD11 LEU 43 1.282 -6.164 -0.118 373 HD12 LEU 43 HD12 LEU 43 0.506 -5.867 -1.674 374 HD13 LEU 43 HD13 LEU 43 0.336 -4.696 -0.366 375 HD21 LEU 43 HD21 LEU 43 2.883 -5.791 -3.085 376 HD22 LEU 43 HD22 LEU 43 3.128 -6.660 -1.573 377 HD23 LEU 43 HD23 LEU 43 4.204 -5.342 -2.011 378 H LEU 44 HN LEU 44 1.602 -0.461 -2.504 379 HA LEU 44 HA LEU 44 1.120 -0.219 -5.284 380 HB2 LEU 44 HB2 LEU 44 0.823 1.713 -2.989 381 HB3 LEU 44 HB1 LEU 44 0.370 2.123 -4.637 382 HG LEU 44 HG LEU 44 -0.707 -0.331 -3.221 383 HD11 LEU 44 HD11 LEU 44 -2.765 1.057 -2.828 384 HD12 LEU 44 HD12 LEU 44 -1.845 2.477 -3.324 385 HD13 LEU 44 HD13 LEU 44 -1.370 1.577 -1.883 386 HD21 LEU 44 HD21 LEU 44 -1.414 1.176 -5.760 387 HD22 LEU 44 HD22 LEU 44 -2.624 0.193 -4.944 388 HD23 LEU 44 HD23 LEU 44 -1.154 -0.551 -5.541 389 H LEU 45 HN LEU 45 3.532 1.230 -3.112 390 HA LEU 45 HA LEU 45 4.551 3.096 -4.944 391 HB2 LEU 45 HB2 LEU 45 5.756 1.754 -2.549 392 HB3 LEU 45 HB1 LEU 45 6.636 2.961 -3.477 393 HG LEU 45 HG LEU 45 3.876 3.468 -2.327 394 HD11 LEU 45 HD11 LEU 45 4.978 4.593 -0.456 395 HD12 LEU 45 HD12 LEU 45 6.561 4.188 -1.115 396 HD13 LEU 45 HD13 LEU 45 5.498 2.910 -0.526 397 HD21 LEU 45 HD21 LEU 45 6.014 5.174 -3.636 398 HD22 LEU 45 HD22 LEU 45 4.918 5.910 -2.472 399 HD23 LEU 45 HD23 LEU 45 4.278 5.160 -3.924 400 H ILE 46 HN ILE 46 5.534 -0.273 -4.376 401 HA ILE 46 HA ILE 46 7.757 -0.080 -6.136 402 HB ILE 46 HB ILE 46 7.140 -1.980 -4.378 403 HG12 ILE 46 HG12 ILE 46 8.438 -2.668 -7.039 404 HG13 ILE 46 HG11 ILE 46 9.246 -1.833 -5.712 405 HG21 ILE 46 HG21 ILE 46 6.078 -3.915 -5.210 406 HG22 ILE 46 HG22 ILE 46 6.199 -3.381 -6.886 407 HG23 ILE 46 HG23 ILE 46 5.072 -2.601 -5.795 408 HD11 ILE 46 HD3 ILE 46 9.845 -4.122 -5.469 409 HD12 ILE 46 HD1 ILE 46 8.191 -4.662 -5.754 410 HD13 ILE 46 HD2 ILE 46 8.602 -3.832 -4.252 411 H ALA 47 HN ALA 47 4.375 -0.913 -6.574 412 HA ALA 47 HA ALA 47 4.451 -1.775 -9.247 413 HB1 ALA 47 HB1 ALA 47 2.086 -1.247 -9.322 414 HB2 ALA 47 HB2 ALA 47 2.241 -0.189 -7.920 415 HB3 ALA 47 HB3 ALA 47 2.463 -1.929 -7.740 416 H ILE 48 HN ILE 48 3.932 1.500 -7.914 417 HA ILE 48 HA ILE 48 3.716 2.824 -10.401 418 HB ILE 48 HB ILE 48 4.577 3.834 -7.683 419 HG12 ILE 48 HG12 ILE 48 2.264 3.001 -7.748 420 HG13 ILE 48 HG11 ILE 48 2.272 4.752 -7.595 421 HG21 ILE 48 HG21 ILE 48 4.050 5.304 -10.263 422 HG22 ILE 48 HG22 ILE 48 5.438 5.441 -9.184 423 HG23 ILE 48 HG23 ILE 48 3.876 6.094 -8.696 424 HD11 ILE 48 HD3 ILE 48 2.110 4.630 -10.267 425 HD12 ILE 48 HD1 ILE 48 0.675 4.496 -9.253 426 HD13 ILE 48 HD2 ILE 48 1.431 3.049 -9.908 427 H ILE 49 HN ILE 49 6.518 2.249 -8.291 428 HA ILE 49 HA ILE 49 8.381 3.710 -9.824 429 HB ILE 49 HB ILE 49 8.732 1.365 -7.989 430 HG12 ILE 49 HG12 ILE 49 9.402 4.281 -7.541 431 HG13 ILE 49 HG11 ILE 49 7.846 3.587 -7.094 432 HG21 ILE 49 HG21 ILE 49 11.145 2.221 -7.892 433 HG22 ILE 49 HG22 ILE 49 10.769 3.134 -9.355 434 HG23 ILE 49 HG23 ILE 49 10.684 1.373 -9.369 435 HD11 ILE 49 HD3 ILE 49 9.351 3.562 -5.160 436 HD12 ILE 49 HD1 ILE 49 10.553 2.668 -6.091 437 HD13 ILE 49 HD2 ILE 49 9.013 1.912 -5.684 438 H VAL 50 HN VAL 50 7.435 0.320 -9.874 439 HA VAL 50 HA VAL 50 9.257 -0.494 -11.869 440 HB VAL 50 HB VAL 50 6.553 -1.592 -11.040 441 HG11 VAL 50 HG11 VAL 50 7.343 -3.660 -12.310 442 HG12 VAL 50 HG12 VAL 50 8.557 -2.626 -13.064 443 HG13 VAL 50 HG13 VAL 50 6.844 -2.301 -13.317 444 HG21 VAL 50 HG21 VAL 50 8.665 -1.662 -9.511 445 HG22 VAL 50 HG22 VAL 50 9.288 -2.844 -10.663 446 HG23 VAL 50 HG23 VAL 50 7.796 -3.172 -9.783 447 H MET 51 HN MET 51 5.919 0.740 -11.990 448 HA MET 51 HA MET 51 5.607 0.556 -14.779 449 HB2 MET 51 HB2 MET 51 4.266 2.199 -12.633 450 HB3 MET 51 HB1 MET 51 3.829 2.374 -14.330 451 HG2 MET 51 HG2 MET 51 3.812 -0.272 -12.858 452 HG3 MET 51 HG1 MET 51 2.391 0.744 -13.062 453 HE1 MET 51 HE1 MET 51 3.318 -2.468 -14.326 454 HE2 MET 51 HE2 MET 51 4.870 -1.647 -14.437 455 HE3 MET 51 HE3 MET 51 4.110 -2.259 -15.901 456 H LEU 52 HN LEU 52 7.127 3.002 -12.686 457 HA LEU 52 HA LEU 52 7.146 5.076 -14.602 458 HB2 LEU 52 HB2 LEU 52 8.844 4.487 -12.194 459 HB3 LEU 52 HB1 LEU 52 9.293 5.810 -13.267 460 HG LEU 52 HG LEU 52 6.565 5.517 -11.957 461 HD11 LEU 52 HD11 LEU 52 7.454 7.568 -10.640 462 HD12 LEU 52 HD12 LEU 52 9.053 7.023 -11.142 463 HD13 LEU 52 HD13 LEU 52 8.033 5.975 -10.166 464 HD21 LEU 52 HD21 LEU 52 6.741 8.153 -12.618 465 HD22 LEU 52 HD22 LEU 52 6.111 6.957 -13.733 466 HD23 LEU 52 HD23 LEU 52 7.782 7.492 -13.884 467 H LEU 53 HN LEU 53 9.372 2.379 -14.104 468 HA LEU 53 HA LEU 53 11.270 3.288 -16.020 469 HB2 LEU 53 HB2 LEU 53 10.769 0.470 -15.042 470 HB3 LEU 53 HB1 LEU 53 12.240 1.077 -15.805 471 HG LEU 53 HG LEU 53 11.107 2.055 -13.164 472 HD11 LEU 53 HD11 LEU 53 12.002 -0.224 -12.998 473 HD12 LEU 53 HD12 LEU 53 13.085 0.911 -12.192 474 HD13 LEU 53 HD13 LEU 53 13.495 0.286 -13.788 475 HD21 LEU 53 HD21 LEU 53 12.328 3.881 -14.038 476 HD22 LEU 53 HD22 LEU 53 13.502 2.841 -14.844 477 HD23 LEU 53 HD23 LEU 53 13.553 3.038 -13.093 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -35.038 -18.806 13.626 2 H2 ALA 1 HT2 ALA 1 -33.816 -17.833 12.959 3 H3 ALA 1 HT3 ALA 1 -35.367 -17.854 12.265 4 HA ALA 1 HA ALA 1 -36.320 -16.795 14.170 5 HB1 ALA 1 HB1 ALA 1 -34.760 -17.931 15.788 6 HB2 ALA 1 HB2 ALA 1 -34.975 -16.209 16.098 7 HB3 ALA 1 HB3 ALA 1 -33.508 -16.786 15.307 8 H MET 2 HN MET 2 -36.510 -14.576 14.064 9 HA MET 2 HA MET 2 -34.729 -13.201 12.155 10 HB2 MET 2 HB2 MET 2 -37.413 -12.418 13.325 11 HB3 MET 2 HB1 MET 2 -36.518 -11.488 12.127 12 HG2 MET 2 HG2 MET 2 -37.485 -14.336 11.737 13 HG3 MET 2 HG1 MET 2 -38.283 -12.908 11.087 14 HE1 MET 2 HE1 MET 2 -36.354 -11.537 8.403 15 HE2 MET 2 HE2 MET 2 -35.474 -11.092 9.859 16 HE3 MET 2 HE3 MET 2 -37.228 -11.187 9.906 17 H GLU 3 HN GLU 3 -35.841 -13.093 15.483 18 HA GLU 3 HA GLU 3 -34.766 -10.556 16.164 19 HB2 GLU 3 HB2 GLU 3 -35.456 -12.965 17.851 20 HB3 GLU 3 HB1 GLU 3 -34.969 -11.406 18.517 21 HG2 GLU 3 HG2 GLU 3 -36.853 -10.304 17.430 22 HG3 GLU 3 HG1 GLU 3 -37.314 -11.814 16.647 23 H LYS 4 HN LYS 4 -33.449 -13.838 16.278 24 HA LYS 4 HA LYS 4 -31.091 -13.259 17.701 25 HB2 LYS 4 HB2 LYS 4 -31.594 -15.374 15.597 26 HB3 LYS 4 HB1 LYS 4 -30.208 -15.344 16.683 27 HG2 LYS 4 HG2 LYS 4 -33.010 -15.283 17.804 28 HG3 LYS 4 HG1 LYS 4 -32.283 -16.810 17.320 29 HD2 LYS 4 HD2 LYS 4 -30.366 -16.365 18.829 30 HD3 LYS 4 HD1 LYS 4 -31.131 -14.868 19.351 31 HE2 LYS 4 HE2 LYS 4 -33.084 -16.142 20.165 32 HE3 LYS 4 HE1 LYS 4 -32.309 -17.642 19.658 33 HZ1 LYS 4 HZ1 LYS 4 -30.406 -16.432 21.152 34 HZ2 LYS 4 HZ2 LYS 4 -31.452 -17.657 21.695 35 HZ3 LYS 4 HZ3 LYS 4 -31.826 -16.023 21.978 36 H VAL 5 HN VAL 5 -31.882 -13.068 14.301 37 HA VAL 5 HA VAL 5 -29.293 -12.588 13.305 38 HB VAL 5 HB VAL 5 -31.969 -11.635 12.263 39 HG11 VAL 5 HG11 VAL 5 -30.251 -10.257 11.273 40 HG12 VAL 5 HG12 VAL 5 -30.691 -11.478 10.082 41 HG13 VAL 5 HG13 VAL 5 -29.207 -11.654 11.016 42 HG21 VAL 5 HG21 VAL 5 -31.600 -14.120 12.466 43 HG22 VAL 5 HG22 VAL 5 -30.209 -13.948 11.396 44 HG23 VAL 5 HG23 VAL 5 -31.828 -13.573 10.805 45 H GLN 6 HN GLN 6 -31.811 -10.394 14.436 46 HA GLN 6 HA GLN 6 -30.499 -7.970 13.934 47 HB2 GLN 6 HB2 GLN 6 -32.916 -8.294 14.496 48 HB3 GLN 6 HB1 GLN 6 -32.427 -8.555 16.170 49 HG2 GLN 6 HG2 GLN 6 -31.402 -6.334 16.242 50 HG3 GLN 6 HG1 GLN 6 -31.836 -6.063 14.552 51 HE21 GLN 6 HE21 GLN 6 -33.885 -5.264 14.134 52 HE22 GLN 6 HE22 GLN 6 -35.115 -5.113 15.293 53 H TYR 7 HN TYR 7 -30.557 -10.019 16.811 54 HA TYR 7 HA TYR 7 -29.035 -8.349 18.493 55 HB2 TYR 7 HB2 TYR 7 -30.295 -10.218 19.391 56 HB3 TYR 7 HB1 TYR 7 -29.318 -11.362 18.469 57 HD1 TYR 7 HD1 TYR 7 -29.215 -8.844 21.208 58 HD2 TYR 7 HD2 TYR 7 -27.168 -12.066 19.232 59 HE1 TYR 7 HE1 TYR 7 -27.548 -8.909 23.043 60 HE2 TYR 7 HE2 TYR 7 -25.503 -12.128 21.069 61 HH TYR 7 HH TYR 7 -25.644 -11.358 23.706 62 H LEU 8 HN LEU 8 -28.036 -11.100 16.471 63 HA LEU 8 HA LEU 8 -25.319 -11.098 17.007 64 HB2 LEU 8 HB2 LEU 8 -26.776 -11.655 14.419 65 HB3 LEU 8 HB1 LEU 8 -25.056 -11.964 14.631 66 HG LEU 8 HG LEU 8 -27.180 -13.118 16.456 67 HD11 LEU 8 HD11 LEU 8 -25.954 -14.258 13.935 68 HD12 LEU 8 HD12 LEU 8 -27.662 -13.975 14.269 69 HD13 LEU 8 HD13 LEU 8 -26.793 -15.241 15.135 70 HD21 LEU 8 HD21 LEU 8 -25.226 -14.863 16.722 71 HD22 LEU 8 HD22 LEU 8 -25.094 -13.332 17.566 72 HD23 LEU 8 HD23 LEU 8 -24.208 -13.582 16.064 73 H THR 9 HN THR 9 -27.151 -8.998 14.852 74 HA THR 9 HA THR 9 -24.965 -7.711 13.616 75 HB THR 9 HB THR 9 -27.637 -6.443 14.253 76 HG1 THR 9 HG1 THR 9 -27.169 -8.654 12.931 77 HG21 THR 9 HG21 THR 9 -25.784 -5.022 13.317 78 HG22 THR 9 HG22 THR 9 -27.206 -5.125 12.280 79 HG23 THR 9 HG23 THR 9 -25.769 -6.076 11.905 80 H ARG 10 HN ARG 10 -26.801 -6.998 16.571 81 HA ARG 10 HA ARG 10 -25.540 -4.582 17.241 82 HB2 ARG 10 HB2 ARG 10 -27.616 -5.420 18.304 83 HB3 ARG 10 HB1 ARG 10 -26.668 -6.662 19.121 84 HG2 ARG 10 HG2 ARG 10 -25.318 -4.899 20.228 85 HG3 ARG 10 HG1 ARG 10 -26.297 -3.665 19.432 86 HD2 ARG 10 HD2 ARG 10 -27.402 -5.794 21.277 87 HD3 ARG 10 HD1 ARG 10 -27.033 -4.145 21.771 88 HE ARG 10 HE ARG 10 -29.283 -5.011 20.140 89 HH11 ARG 10 HH21 ARG 10 -27.227 -2.426 21.175 90 HH12 ARG 10 HH22 ARG 10 -28.373 -1.181 20.805 91 HH21 ARG 10 HH11 ARG 10 -30.794 -3.389 19.647 92 HH22 ARG 10 HH12 ARG 10 -30.398 -1.727 19.937 93 H SER 11 HN SER 11 -24.760 -7.911 18.088 94 HA SER 11 HA SER 11 -22.495 -7.264 19.711 95 HB2 SER 11 HB2 SER 11 -21.985 -9.667 19.519 96 HB3 SER 11 HB1 SER 11 -23.656 -9.378 19.974 97 HG SER 11 HG1 SER 11 -24.112 -9.566 17.668 98 H ALA 12 HN ALA 12 -23.043 -7.662 16.351 99 HA ALA 12 HA ALA 12 -20.419 -8.254 15.503 100 HB1 ALA 12 HB1 ALA 12 -22.415 -6.675 13.891 101 HB2 ALA 12 HB2 ALA 12 -22.578 -8.413 14.138 102 HB3 ALA 12 HB3 ALA 12 -21.162 -7.771 13.308 103 H ILE 13 HN ILE 13 -22.155 -5.269 16.069 104 HA ILE 13 HA ILE 13 -19.929 -3.625 15.237 105 HB ILE 13 HB ILE 13 -22.160 -2.793 14.823 106 HG12 ILE 13 HG12 ILE 13 -20.933 -1.133 17.036 107 HG13 ILE 13 HG11 ILE 13 -20.221 -1.251 15.426 108 HG21 ILE 13 HG21 ILE 13 -23.479 -3.738 16.545 109 HG22 ILE 13 HG22 ILE 13 -23.502 -2.006 16.856 110 HG23 ILE 13 HG23 ILE 13 -22.466 -3.061 17.818 111 HD11 ILE 13 HD3 ILE 13 -23.101 -0.443 15.864 112 HD12 ILE 13 HD1 ILE 13 -22.136 -0.268 14.398 113 HD13 ILE 13 HD2 ILE 13 -21.786 0.731 15.810 114 H ARG 14 HN ARG 14 -21.065 -4.967 18.242 115 HA ARG 14 HA ARG 14 -19.862 -3.153 20.016 116 HB2 ARG 14 HB2 ARG 14 -21.438 -4.950 20.704 117 HB3 ARG 14 HB1 ARG 14 -20.174 -6.140 20.388 118 HG2 ARG 14 HG2 ARG 14 -18.734 -5.101 22.056 119 HG3 ARG 14 HG1 ARG 14 -19.934 -3.845 22.349 120 HD2 ARG 14 HD2 ARG 14 -21.555 -5.634 23.017 121 HD3 ARG 14 HD1 ARG 14 -20.258 -6.810 22.863 122 HE ARG 14 HE ARG 14 -19.292 -5.958 24.834 123 HH11 ARG 14 HH21 ARG 14 -21.952 -4.027 23.742 124 HH12 ARG 14 HH22 ARG 14 -22.076 -3.122 25.213 125 HH21 ARG 14 HH11 ARG 14 -19.450 -4.775 26.763 126 HH22 ARG 14 HH12 ARG 14 -20.661 -3.546 26.924 127 H ARG 15 HN ARG 15 -18.590 -6.101 18.580 128 HA ARG 15 HA ARG 15 -16.062 -6.145 19.702 129 HB2 ARG 15 HB2 ARG 15 -15.532 -7.708 18.044 130 HB3 ARG 15 HB1 ARG 15 -17.291 -7.780 18.031 131 HG2 ARG 15 HG2 ARG 15 -17.119 -5.952 16.178 132 HG3 ARG 15 HG1 ARG 15 -15.441 -6.454 16.045 133 HD2 ARG 15 HD2 ARG 15 -16.198 -8.792 15.681 134 HD3 ARG 15 HD1 ARG 15 -17.870 -8.236 15.733 135 HE ARG 15 HE ARG 15 -16.283 -6.822 13.783 136 HH11 ARG 15 HH21 ARG 15 -18.085 -9.700 14.471 137 HH12 ARG 15 HH22 ARG 15 -18.483 -10.013 12.814 138 HH21 ARG 15 HH11 ARG 15 -16.803 -7.226 11.606 139 HH22 ARG 15 HH12 ARG 15 -17.760 -8.610 11.192 140 H ALA 16 HN ALA 16 -17.375 -4.153 17.119 141 HA ALA 16 HA ALA 16 -14.980 -3.135 16.091 142 HB1 ALA 16 HB1 ALA 16 -17.356 -1.334 16.531 143 HB2 ALA 16 HB2 ALA 16 -17.431 -2.631 15.339 144 HB3 ALA 16 HB3 ALA 16 -16.227 -1.352 15.174 145 H SER 17 HN SER 17 -16.584 -2.754 18.994 146 HA SER 17 HA SER 17 -14.992 -0.478 19.925 147 HB2 SER 17 HB2 SER 17 -17.498 -0.991 20.504 148 HB3 SER 17 HB1 SER 17 -16.821 -2.094 21.693 149 HG SER 17 HG1 SER 17 -15.922 -0.411 22.734 150 H THR 18 HN THR 18 -15.649 -3.740 21.354 151 HA THR 18 HA THR 18 -12.979 -3.711 22.558 152 HB THR 18 HB THR 18 -14.774 -3.975 24.104 153 HG1 THR 18 HG1 THR 18 -12.819 -5.621 23.858 154 HG21 THR 18 HG21 THR 18 -16.261 -6.008 23.881 155 HG22 THR 18 HG22 THR 18 -15.646 -6.179 22.236 156 HG23 THR 18 HG23 THR 18 -16.533 -4.729 22.702 157 H ILE 19 HN ILE 19 -13.580 -4.728 19.665 158 HA ILE 19 HA ILE 19 -13.398 -7.463 19.427 159 HB ILE 19 HB ILE 19 -13.358 -6.106 17.425 160 HG12 ILE 19 HG12 ILE 19 -11.582 -7.157 16.125 161 HG13 ILE 19 HG11 ILE 19 -10.715 -7.606 17.583 162 HG21 ILE 19 HG21 ILE 19 -12.012 -4.257 18.403 163 HG22 ILE 19 HG22 ILE 19 -11.439 -4.747 16.808 164 HG23 ILE 19 HG23 ILE 19 -10.571 -5.265 18.255 165 HD11 ILE 19 HD3 ILE 19 -12.176 -9.424 16.480 166 HD12 ILE 19 HD1 ILE 19 -13.556 -8.508 17.079 167 HD13 ILE 19 HD2 ILE 19 -12.393 -9.192 18.212 168 H GLU 20 HN GLU 20 -11.163 -5.416 20.978 169 HA GLU 20 HA GLU 20 -9.321 -7.702 21.464 170 HB2 GLU 20 HB2 GLU 20 -8.325 -6.171 19.801 171 HB3 GLU 20 HB1 GLU 20 -8.514 -4.831 20.927 172 HG2 GLU 20 HG2 GLU 20 -6.235 -5.614 21.073 173 HG3 GLU 20 HG1 GLU 20 -7.043 -6.092 22.558 174 H MET 21 HN MET 21 -9.699 -4.325 22.495 175 HA MET 21 HA MET 21 -10.547 -4.900 25.135 176 HB2 MET 21 HB2 MET 21 -8.159 -5.733 25.166 177 HB3 MET 21 HB1 MET 21 -7.652 -4.075 24.892 178 HG2 MET 21 HG2 MET 21 -8.170 -3.414 27.054 179 HG3 MET 21 HG1 MET 21 -9.548 -4.500 27.183 180 HE1 MET 21 HE1 MET 21 -8.042 -7.920 27.417 181 HE2 MET 21 HE2 MET 21 -9.334 -6.875 26.839 182 HE3 MET 21 HE3 MET 21 -9.148 -7.149 28.570 183 HA PRO 22 HA PRO 22 -11.659 -0.564 23.935 184 HB2 PRO 22 HB2 PRO 22 -12.236 -0.574 26.871 185 HB3 PRO 22 HB1 PRO 22 -13.171 0.158 25.542 186 HG2 PRO 22 HG2 PRO 22 -13.960 -2.122 26.497 187 HG3 PRO 22 HG1 PRO 22 -13.876 -1.904 24.734 188 HD2 PRO 22 HD2 PRO 22 -12.022 -3.448 26.514 189 HD3 PRO 22 HD1 PRO 22 -12.573 -3.818 24.864 190 H GLN 23 HN GLN 23 -9.604 -1.300 26.723 191 HA GLN 23 HA GLN 23 -8.657 1.336 27.125 192 HB2 GLN 23 HB2 GLN 23 -7.434 -1.337 27.837 193 HB3 GLN 23 HB1 GLN 23 -6.772 0.216 28.342 194 HG2 GLN 23 HG2 GLN 23 -8.860 0.768 29.495 195 HG3 GLN 23 HG1 GLN 23 -9.578 -0.751 28.956 196 HE21 GLN 23 HE21 GLN 23 -8.625 0.430 31.735 197 HE22 GLN 23 HE22 GLN 23 -7.788 -0.881 32.413 198 H GLN 24 HN GLN 24 -7.352 -1.444 25.341 199 HA GLN 24 HA GLN 24 -5.304 0.282 24.108 200 HB2 GLN 24 HB2 GLN 24 -5.630 -2.730 24.155 201 HB3 GLN 24 HB1 GLN 24 -4.315 -1.852 23.374 202 HG2 GLN 24 HG2 GLN 24 -3.615 -0.907 25.506 203 HG3 GLN 24 HG1 GLN 24 -4.976 -1.675 26.322 204 HE21 GLN 24 HE21 GLN 24 -2.897 -2.561 27.554 205 HE22 GLN 24 HE22 GLN 24 -2.291 -4.038 26.975 206 H ALA 25 HN ALA 25 -8.445 -0.749 23.514 207 HA ALA 25 HA ALA 25 -8.355 -1.552 20.806 208 HB1 ALA 25 HB1 ALA 25 -10.542 0.122 22.034 209 HB2 ALA 25 HB2 ALA 25 -10.410 -1.623 22.275 210 HB3 ALA 25 HB3 ALA 25 -10.672 -0.973 20.662 211 H ARG 26 HN ARG 26 -8.316 1.527 22.398 212 HA ARG 26 HA ARG 26 -8.795 3.245 20.243 213 HB2 ARG 26 HB2 ARG 26 -7.005 3.541 22.655 214 HB3 ARG 26 HB1 ARG 26 -7.308 4.858 21.519 215 HG2 ARG 26 HG2 ARG 26 -9.722 4.704 21.942 216 HG3 ARG 26 HG1 ARG 26 -9.458 3.341 23.030 217 HD2 ARG 26 HD2 ARG 26 -8.128 4.762 24.521 218 HD3 ARG 26 HD1 ARG 26 -8.338 6.128 23.429 219 HE ARG 26 HE ARG 26 -10.898 5.273 24.040 220 HH11 ARG 26 HH21 ARG 26 -8.092 6.337 25.769 221 HH12 ARG 26 HH22 ARG 26 -8.994 7.040 27.070 222 HH21 ARG 26 HH11 ARG 26 -12.081 6.199 25.754 223 HH22 ARG 26 HH12 ARG 26 -11.242 6.962 27.062 224 H GLN 27 HN GLN 27 -5.537 2.290 21.442 225 HA GLN 27 HA GLN 27 -4.296 3.205 18.992 226 HB2 GLN 27 HB2 GLN 27 -3.193 1.841 21.443 227 HB3 GLN 27 HB1 GLN 27 -2.213 2.404 20.090 228 HG2 GLN 27 HG2 GLN 27 -3.062 4.698 20.428 229 HG3 GLN 27 HG1 GLN 27 -4.025 4.135 21.793 230 HE21 GLN 27 HE21 GLN 27 -1.077 5.558 21.043 231 HE22 GLN 27 HE22 GLN 27 -0.219 5.132 22.443 232 H ASN 28 HN ASN 28 -5.339 0.115 20.306 233 HA ASN 28 HA ASN 28 -3.687 -1.472 18.600 234 HB2 ASN 28 HB2 ASN 28 -6.273 -2.153 19.988 235 HB3 ASN 28 HB1 ASN 28 -5.374 -3.304 19.020 236 HD21 ASN 28 HD21 ASN 28 -5.685 -3.944 21.684 237 HD22 ASN 28 HD22 ASN 28 -4.220 -3.729 22.514 238 H LEU 29 HN LEU 29 -6.937 -0.130 18.284 239 HA LEU 29 HA LEU 29 -7.521 -1.406 15.827 240 HB2 LEU 29 HB2 LEU 29 -8.648 1.063 17.151 241 HB3 LEU 29 HB1 LEU 29 -9.263 0.422 15.638 242 HG LEU 29 HG LEU 29 -9.070 -1.247 18.165 243 HD11 LEU 29 HD11 LEU 29 -10.547 0.555 18.725 244 HD12 LEU 29 HD12 LEU 29 -11.582 -0.805 18.294 245 HD13 LEU 29 HD13 LEU 29 -11.322 0.504 17.141 246 HD21 LEU 29 HD21 LEU 29 -9.364 -2.724 16.331 247 HD22 LEU 29 HD22 LEU 29 -10.376 -1.588 15.445 248 HD23 LEU 29 HD23 LEU 29 -11.023 -2.436 16.844 249 H GLN 30 HN GLN 30 -6.109 1.800 16.699 250 HA GLN 30 HA GLN 30 -6.011 2.627 13.994 251 HB2 GLN 30 HB2 GLN 30 -4.620 3.592 16.485 252 HB3 GLN 30 HB1 GLN 30 -4.473 4.382 14.913 253 HG2 GLN 30 HG2 GLN 30 -6.886 4.746 14.832 254 HG3 GLN 30 HG1 GLN 30 -7.089 3.887 16.357 255 HE21 GLN 30 HE21 GLN 30 -6.837 6.982 15.096 256 HE22 GLN 30 HE22 GLN 30 -6.291 7.788 16.486 257 H ASN 31 HN ASN 31 -3.847 0.867 16.120 258 HA ASN 31 HA ASN 31 -1.466 1.151 14.679 259 HB2 ASN 31 HB2 ASN 31 -1.529 0.217 16.927 260 HB3 ASN 31 HB1 ASN 31 -2.437 -1.176 16.338 261 HD21 ASN 31 HD21 ASN 31 0.719 0.499 15.929 262 HD22 ASN 31 HD22 ASN 31 1.565 -0.898 15.466 263 H LEU 32 HN LEU 32 -4.007 -1.282 14.419 264 HA LEU 32 HA LEU 32 -2.758 -2.777 12.397 265 HB2 LEU 32 HB2 LEU 32 -5.581 -2.583 13.411 266 HB3 LEU 32 HB1 LEU 32 -5.290 -3.423 11.892 267 HG LEU 32 HG LEU 32 -3.528 -4.803 13.180 268 HD11 LEU 32 HD11 LEU 32 -3.572 -3.158 15.166 269 HD12 LEU 32 HD12 LEU 32 -3.620 -4.874 15.547 270 HD13 LEU 32 HD13 LEU 32 -5.099 -3.919 15.604 271 HD21 LEU 32 HD21 LEU 32 -5.257 -6.321 14.050 272 HD22 LEU 32 HD22 LEU 32 -5.747 -5.655 12.494 273 HD23 LEU 32 HD23 LEU 32 -6.446 -5.020 13.983 274 H PHE 33 HN PHE 33 -5.054 -0.097 12.344 275 HA PHE 33 HA PHE 33 -5.410 -0.016 9.547 276 HB2 PHE 33 HB2 PHE 33 -6.859 1.206 11.122 277 HB3 PHE 33 HB1 PHE 33 -5.516 2.277 11.525 278 HD1 PHE 33 HD2 PHE 33 -7.412 0.994 8.559 279 HD2 PHE 33 HD1 PHE 33 -5.229 4.267 10.287 280 HE1 PHE 33 HE2 PHE 33 -7.961 2.398 6.595 281 HE2 PHE 33 HE1 PHE 33 -5.782 5.673 8.316 282 HZ PHE 33 HZ PHE 33 -7.148 4.736 6.470 283 H ILE 34 HN ILE 34 -3.201 1.821 11.637 284 HA ILE 34 HA ILE 34 -1.869 3.159 9.516 285 HB ILE 34 HB ILE 34 -0.959 2.533 12.334 286 HG12 ILE 34 HG12 ILE 34 -2.916 4.039 12.198 287 HG13 ILE 34 HG11 ILE 34 -1.502 4.921 12.745 288 HG21 ILE 34 HG21 ILE 34 0.673 4.468 11.856 289 HG22 ILE 34 HG22 ILE 34 0.347 4.156 10.151 290 HG23 ILE 34 HG23 ILE 34 1.054 2.895 11.158 291 HD11 ILE 34 HD3 ILE 34 -1.304 5.370 10.066 292 HD12 ILE 34 HD1 ILE 34 -2.210 6.413 11.158 293 HD13 ILE 34 HD2 ILE 34 -3.046 5.183 10.216 294 H ASN 35 HN ASN 35 -1.030 0.187 11.320 295 HA ASN 35 HA ASN 35 1.365 -0.335 9.924 296 HB2 ASN 35 HB2 ASN 35 0.825 -1.404 12.071 297 HB3 ASN 35 HB1 ASN 35 -0.513 -2.259 11.307 298 HD21 ASN 35 HD21 ASN 35 0.369 -4.396 11.555 299 HD22 ASN 35 HD22 ASN 35 1.776 -4.896 10.748 300 H PHE 36 HN PHE 36 -1.943 -1.442 9.541 301 HA PHE 36 HA PHE 36 -1.462 -3.091 7.315 302 HB2 PHE 36 HB2 PHE 36 -3.527 -3.290 8.623 303 HB3 PHE 36 HB1 PHE 36 -4.042 -1.700 8.044 304 HD1 PHE 36 HD1 PHE 36 -2.753 -4.944 6.675 305 HD2 PHE 36 HD2 PHE 36 -5.468 -1.658 6.184 306 HE1 PHE 36 HE1 PHE 36 -3.686 -6.020 4.645 307 HE2 PHE 36 HE2 PHE 36 -6.401 -2.730 4.157 308 HZ PHE 36 HZ PHE 36 -5.511 -4.911 3.386 309 H ALA 37 HN ALA 37 -1.931 0.363 7.568 310 HA ALA 37 HA ALA 37 -2.479 0.731 4.781 311 HB1 ALA 37 HB1 ALA 37 -1.704 2.634 7.002 312 HB2 ALA 37 HB2 ALA 37 -3.311 2.385 6.322 313 HB3 ALA 37 HB3 ALA 37 -2.052 3.146 5.351 314 H LEU 38 HN LEU 38 0.315 0.840 6.928 315 HA LEU 38 HA LEU 38 2.179 1.943 5.135 316 HB2 LEU 38 HB2 LEU 38 2.437 0.112 7.512 317 HB3 LEU 38 HB1 LEU 38 3.857 0.585 6.582 318 HG LEU 38 HG LEU 38 1.893 2.547 7.804 319 HD11 LEU 38 HD11 LEU 38 4.573 1.565 8.827 320 HD12 LEU 38 HD12 LEU 38 2.997 1.296 9.570 321 HD13 LEU 38 HD13 LEU 38 3.671 2.919 9.504 322 HD21 LEU 38 HD21 LEU 38 2.989 3.842 6.209 323 HD22 LEU 38 HD22 LEU 38 4.420 2.814 6.181 324 HD23 LEU 38 HD23 LEU 38 4.191 3.968 7.491 325 H ILE 39 HN ILE 39 1.117 -1.401 5.644 326 HA ILE 39 HA ILE 39 3.009 -2.605 3.908 327 HB ILE 39 HB ILE 39 0.217 -3.467 4.722 328 HG12 ILE 39 HG12 ILE 39 2.935 -4.503 5.591 329 HG13 ILE 39 HG11 ILE 39 2.035 -3.279 6.487 330 HG21 ILE 39 HG21 ILE 39 0.697 -4.598 2.667 331 HG22 ILE 39 HG22 ILE 39 1.078 -5.746 3.948 332 HG23 ILE 39 HG23 ILE 39 2.376 -4.874 3.130 333 HD11 ILE 39 HD3 ILE 39 1.210 -6.137 5.935 334 HD12 ILE 39 HD1 ILE 39 0.088 -4.922 6.548 335 HD13 ILE 39 HD2 ILE 39 1.495 -5.384 7.503 336 H LEU 40 HN LEU 40 -0.216 -1.315 3.489 337 HA LEU 40 HA LEU 40 -0.516 -1.955 0.732 338 HB2 LEU 40 HB2 LEU 40 -1.762 0.238 2.396 339 HB3 LEU 40 HB1 LEU 40 -2.209 -0.073 0.721 340 HG LEU 40 HG LEU 40 -2.339 -2.156 2.923 341 HD11 LEU 40 HD11 LEU 40 -4.878 -1.756 2.600 342 HD12 LEU 40 HD12 LEU 40 -4.404 -0.220 1.874 343 HD13 LEU 40 HD13 LEU 40 -3.971 -0.578 3.545 344 HD21 LEU 40 HD21 LEU 40 -4.042 -3.098 1.074 345 HD22 LEU 40 HD22 LEU 40 -2.318 -3.402 0.930 346 HD23 LEU 40 HD23 LEU 40 -3.061 -2.115 -0.016 347 H ILE 41 HN ILE 41 0.624 0.958 2.369 348 HA ILE 41 HA ILE 41 1.180 2.459 0.051 349 HB ILE 41 HB ILE 41 2.229 2.583 2.872 350 HG12 ILE 41 HG12 ILE 41 -0.157 3.157 2.569 351 HG13 ILE 41 HG11 ILE 41 0.771 4.573 3.028 352 HG21 ILE 41 HG21 ILE 41 3.008 4.906 2.206 353 HG22 ILE 41 HG22 ILE 41 2.845 4.371 0.534 354 HG23 ILE 41 HG23 ILE 41 3.966 3.550 1.616 355 HD11 ILE 41 HD3 ILE 41 -0.647 3.963 0.487 356 HD12 ILE 41 HD1 ILE 41 0.887 4.815 0.317 357 HD13 ILE 41 HD2 ILE 41 -0.401 5.508 1.292 358 H PHE 42 HN PHE 42 3.324 0.416 2.067 359 HA PHE 42 HA PHE 42 5.679 0.851 0.628 360 HB2 PHE 42 HB2 PHE 42 5.521 -0.324 2.820 361 HB3 PHE 42 HB1 PHE 42 4.842 -1.722 1.985 362 HD1 PHE 42 HD1 PHE 42 7.759 0.617 1.818 363 HD2 PHE 42 HD2 PHE 42 6.318 -3.379 1.173 364 HE1 PHE 42 HE1 PHE 42 10.059 -0.119 1.242 365 HE2 PHE 42 HE2 PHE 42 8.621 -4.113 0.597 366 HZ PHE 42 HZ PHE 42 10.488 -2.483 0.631 367 H LEU 43 HN LEU 43 3.180 -1.619 0.200 368 HA LEU 43 HA LEU 43 4.374 -2.964 -1.968 369 HB2 LEU 43 HB2 LEU 43 1.504 -2.676 -1.096 370 HB3 LEU 43 HB1 LEU 43 1.978 -3.694 -2.450 371 HG LEU 43 HG LEU 43 3.147 -3.969 0.339 372 HD11 LEU 43 HD11 LEU 43 1.592 -5.836 0.667 373 HD12 LEU 43 HD12 LEU 43 0.898 -5.562 -0.931 374 HD13 LEU 43 HD13 LEU 43 0.692 -4.356 0.336 375 HD21 LEU 43 HD21 LEU 43 3.338 -5.560 -2.233 376 HD22 LEU 43 HD22 LEU 43 3.505 -6.396 -0.691 377 HD23 LEU 43 HD23 LEU 43 4.621 -5.107 -1.114 378 H LEU 44 HN LEU 44 2.230 -0.178 -1.784 379 HA LEU 44 HA LEU 44 1.737 0.071 -4.551 380 HB2 LEU 44 HB2 LEU 44 1.600 1.958 -2.213 381 HB3 LEU 44 HB1 LEU 44 1.363 2.581 -3.844 382 HG LEU 44 HG LEU 44 -0.207 0.155 -2.940 383 HD11 LEU 44 HD11 LEU 44 -0.805 3.057 -2.302 384 HD12 LEU 44 HD12 LEU 44 -0.671 1.713 -1.170 385 HD13 LEU 44 HD13 LEU 44 -2.034 1.792 -2.282 386 HD21 LEU 44 HD21 LEU 44 -0.892 2.481 -4.775 387 HD22 LEU 44 HD22 LEU 44 -1.828 1.002 -4.566 388 HD23 LEU 44 HD23 LEU 44 -0.251 0.940 -5.342 389 H LEU 45 HN LEU 45 4.299 1.285 -2.436 390 HA LEU 45 HA LEU 45 5.537 2.984 -4.319 391 HB2 LEU 45 HB2 LEU 45 6.655 1.538 -1.920 392 HB3 LEU 45 HB1 LEU 45 7.602 2.662 -2.888 393 HG LEU 45 HG LEU 45 4.981 3.370 -1.527 394 HD11 LEU 45 HD11 LEU 45 6.855 2.797 0.052 395 HD12 LEU 45 HD12 LEU 45 6.308 4.469 0.176 396 HD13 LEU 45 HD13 LEU 45 7.800 4.092 -0.683 397 HD21 LEU 45 HD21 LEU 45 6.977 4.889 -3.220 398 HD22 LEU 45 HD22 LEU 45 6.156 5.755 -1.921 399 HD23 LEU 45 HD23 LEU 45 5.218 4.998 -3.199 400 H ILE 46 HN ILE 46 5.979 -0.441 -3.621 401 HA ILE 46 HA ILE 46 8.210 -0.843 -5.289 402 HB ILE 46 HB ILE 46 6.027 -2.705 -4.323 403 HG12 ILE 46 HG12 ILE 46 8.936 -2.470 -3.505 404 HG13 ILE 46 HG11 ILE 46 7.635 -1.625 -2.670 405 HG21 ILE 46 HG21 ILE 46 8.542 -3.242 -5.894 406 HG22 ILE 46 HG22 ILE 46 6.892 -3.711 -6.295 407 HG23 ILE 46 HG23 ILE 46 7.726 -4.485 -4.949 408 HD11 ILE 46 HD3 ILE 46 8.389 -3.918 -1.732 409 HD12 ILE 46 HD1 ILE 46 7.519 -4.611 -3.100 410 HD13 ILE 46 HD2 ILE 46 6.658 -3.636 -1.908 411 H ALA 47 HN ALA 47 4.755 -1.093 -5.794 412 HA ALA 47 HA ALA 47 4.721 -2.054 -8.428 413 HB1 ALA 47 HB1 ALA 47 2.815 -0.211 -6.975 414 HB2 ALA 47 HB2 ALA 47 2.642 -1.946 -7.249 415 HB3 ALA 47 HB3 ALA 47 2.507 -0.820 -8.600 416 H ILE 48 HN ILE 48 4.801 1.276 -7.212 417 HA ILE 48 HA ILE 48 4.811 2.591 -9.699 418 HB ILE 48 HB ILE 48 5.913 3.414 -7.013 419 HG12 ILE 48 HG12 ILE 48 3.405 4.296 -8.469 420 HG13 ILE 48 HG11 ILE 48 3.420 2.962 -7.316 421 HG21 ILE 48 HG21 ILE 48 5.647 5.759 -8.059 422 HG22 ILE 48 HG22 ILE 48 5.620 4.932 -9.616 423 HG23 ILE 48 HG23 ILE 48 7.041 4.811 -8.579 424 HD11 ILE 48 HD3 ILE 48 4.066 4.392 -5.518 425 HD12 ILE 48 HD1 ILE 48 2.775 5.241 -6.368 426 HD13 ILE 48 HD2 ILE 48 4.456 5.714 -6.619 427 H ILE 49 HN ILE 49 7.475 1.487 -7.652 428 HA ILE 49 HA ILE 49 9.581 2.503 -9.269 429 HB ILE 49 HB ILE 49 9.527 0.274 -7.255 430 HG12 ILE 49 HG12 ILE 49 10.672 3.074 -7.056 431 HG13 ILE 49 HG11 ILE 49 9.048 2.656 -6.510 432 HG21 ILE 49 HG21 ILE 49 11.434 -0.170 -8.623 433 HG22 ILE 49 HG22 ILE 49 12.061 0.713 -7.233 434 HG23 ILE 49 HG23 ILE 49 11.816 1.544 -8.768 435 HD11 ILE 49 HD3 ILE 49 9.882 1.165 -4.840 436 HD12 ILE 49 HD1 ILE 49 10.877 2.616 -4.717 437 HD13 ILE 49 HD2 ILE 49 11.504 1.182 -5.531 438 H VAL 50 HN VAL 50 8.032 -0.648 -9.058 439 HA VAL 50 HA VAL 50 9.653 -1.996 -10.922 440 HB VAL 50 HB VAL 50 6.810 -2.471 -10.017 441 HG11 VAL 50 HG11 VAL 50 7.220 -4.795 -10.984 442 HG12 VAL 50 HG12 VAL 50 8.581 -4.096 -11.860 443 HG13 VAL 50 HG13 VAL 50 6.943 -3.519 -12.166 444 HG21 VAL 50 HG21 VAL 50 8.832 -2.706 -8.437 445 HG22 VAL 50 HG22 VAL 50 9.314 -4.068 -9.442 446 HG23 VAL 50 HG23 VAL 50 7.776 -4.109 -8.583 447 H MET 51 HN MET 51 6.580 -0.256 -11.346 448 HA MET 51 HA MET 51 6.563 -0.764 -14.181 449 HB2 MET 51 HB2 MET 51 4.464 0.221 -14.246 450 HB3 MET 51 HB1 MET 51 4.528 -0.271 -12.564 451 HG2 MET 51 HG2 MET 51 5.164 2.021 -11.916 452 HG3 MET 51 HG1 MET 51 5.156 2.526 -13.598 453 HE1 MET 51 HE1 MET 51 1.683 1.465 -10.874 454 HE2 MET 51 HE2 MET 51 3.380 1.042 -10.721 455 HE3 MET 51 HE3 MET 51 2.339 0.072 -11.754 456 H LEU 52 HN LEU 52 8.087 1.613 -12.122 457 HA LEU 52 HA LEU 52 8.204 3.737 -13.945 458 HB2 LEU 52 HB2 LEU 52 8.793 4.015 -11.604 459 HB3 LEU 52 HB1 LEU 52 10.141 2.908 -11.774 460 HG LEU 52 HG LEU 52 10.725 5.377 -11.763 461 HD11 LEU 52 HD11 LEU 52 11.990 3.341 -13.090 462 HD12 LEU 52 HD12 LEU 52 12.604 4.981 -12.966 463 HD13 LEU 52 HD13 LEU 52 11.744 4.486 -14.410 464 HD21 LEU 52 HD21 LEU 52 8.685 5.927 -13.258 465 HD22 LEU 52 HD22 LEU 52 9.695 5.421 -14.610 466 HD23 LEU 52 HD23 LEU 52 10.191 6.778 -13.606 467 H LEU 53 HN LEU 53 10.289 0.901 -13.575 468 HA LEU 53 HA LEU 53 12.359 1.594 -15.287 469 HB2 LEU 53 HB2 LEU 53 11.036 -1.114 -14.991 470 HB3 LEU 53 HB1 LEU 53 12.617 -0.829 -15.715 471 HG LEU 53 HG LEU 53 11.881 -0.091 -12.866 472 HD11 LEU 53 HD11 LEU 53 13.461 -2.035 -12.350 473 HD12 LEU 53 HD12 LEU 53 13.285 -2.503 -14.041 474 HD13 LEU 53 HD13 LEU 53 11.876 -2.477 -12.980 475 HD21 LEU 53 HD21 LEU 53 13.710 1.290 -13.431 476 HD22 LEU 53 HD22 LEU 53 14.407 0.099 -14.527 477 HD23 LEU 53 HD23 LEU 53 14.533 -0.127 -12.784 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -9.576 -23.667 17.329 2 H2 ALA 1 HT2 ALA 1 -8.174 -22.984 18.006 3 H3 ALA 1 HT3 ALA 1 -8.069 -24.395 17.065 4 HA ALA 1 HA ALA 1 -8.437 -21.611 16.224 5 HB1 ALA 1 HB1 ALA 1 -6.743 -22.175 14.647 6 HB2 ALA 1 HB2 ALA 1 -7.013 -23.905 14.861 7 HB3 ALA 1 HB3 ALA 1 -6.258 -22.966 16.148 8 H MET 2 HN MET 2 -9.007 -24.934 15.037 9 HA MET 2 HA MET 2 -10.508 -24.122 12.767 10 HB2 MET 2 HB2 MET 2 -10.369 -26.759 14.233 11 HB3 MET 2 HB1 MET 2 -11.218 -26.523 12.705 12 HG2 MET 2 HG2 MET 2 -9.112 -25.724 11.675 13 HG3 MET 2 HG1 MET 2 -8.267 -26.040 13.188 14 HE1 MET 2 HE1 MET 2 -9.432 -28.903 14.256 15 HE2 MET 2 HE2 MET 2 -7.876 -28.080 14.256 16 HE3 MET 2 HE3 MET 2 -7.996 -29.703 13.593 17 H GLU 3 HN GLU 3 -11.414 -25.127 16.041 18 HA GLU 3 HA GLU 3 -14.266 -24.834 15.471 19 HB2 GLU 3 HB2 GLU 3 -13.449 -26.655 16.939 20 HB3 GLU 3 HB1 GLU 3 -12.857 -25.447 18.080 21 HG2 GLU 3 HG2 GLU 3 -15.121 -24.585 18.402 22 HG3 GLU 3 HG1 GLU 3 -15.744 -25.707 17.193 23 H LYS 4 HN LYS 4 -11.661 -22.953 16.775 24 HA LYS 4 HA LYS 4 -13.180 -21.180 18.380 25 HB2 LYS 4 HB2 LYS 4 -10.531 -20.819 16.961 26 HB3 LYS 4 HB1 LYS 4 -11.227 -19.629 18.061 27 HG2 LYS 4 HG2 LYS 4 -11.276 -21.307 19.865 28 HG3 LYS 4 HG1 LYS 4 -10.578 -22.502 18.773 29 HD2 LYS 4 HD2 LYS 4 -8.569 -21.115 18.507 30 HD3 LYS 4 HD1 LYS 4 -9.261 -19.892 19.572 31 HE2 LYS 4 HE2 LYS 4 -9.330 -21.509 21.416 32 HE3 LYS 4 HE1 LYS 4 -8.671 -22.757 20.359 33 HZ1 LYS 4 HZ1 LYS 4 -6.763 -21.999 21.308 34 HZ2 LYS 4 HZ2 LYS 4 -7.351 -20.420 21.530 35 HZ3 LYS 4 HZ3 LYS 4 -6.836 -20.934 19.994 36 H VAL 5 HN VAL 5 -13.214 -21.727 15.092 37 HA VAL 5 HA VAL 5 -13.475 -19.144 14.010 38 HB VAL 5 HB VAL 5 -14.627 -21.789 13.111 39 HG11 VAL 5 HG11 VAL 5 -14.742 -20.565 10.865 40 HG12 VAL 5 HG12 VAL 5 -14.561 -19.069 11.782 41 HG13 VAL 5 HG13 VAL 5 -15.960 -20.108 12.056 42 HG21 VAL 5 HG21 VAL 5 -12.200 -20.177 12.256 43 HG22 VAL 5 HG22 VAL 5 -12.743 -21.668 11.487 44 HG23 VAL 5 HG23 VAL 5 -12.176 -21.693 13.157 45 H GLN 6 HN GLN 6 -15.880 -21.406 15.260 46 HA GLN 6 HA GLN 6 -18.142 -19.805 14.738 47 HB2 GLN 6 HB2 GLN 6 -17.663 -21.985 16.770 48 HB3 GLN 6 HB1 GLN 6 -19.240 -21.244 16.482 49 HG2 GLN 6 HG2 GLN 6 -19.182 -21.934 14.142 50 HG3 GLN 6 HG1 GLN 6 -17.563 -22.599 14.354 51 HE21 GLN 6 HE21 GLN 6 -20.839 -23.428 14.377 52 HE22 GLN 6 HE22 GLN 6 -20.722 -24.893 15.224 53 H TYR 7 HN TYR 7 -16.098 -20.137 17.593 54 HA TYR 7 HA TYR 7 -17.547 -18.401 19.278 55 HB2 TYR 7 HB2 TYR 7 -15.870 -19.880 20.203 56 HB3 TYR 7 HB1 TYR 7 -14.606 -19.112 19.241 57 HD1 TYR 7 HD2 TYR 7 -17.131 -18.451 21.905 58 HD2 TYR 7 HD1 TYR 7 -13.484 -17.171 20.034 59 HE1 TYR 7 HE2 TYR 7 -16.803 -16.768 23.694 60 HE2 TYR 7 HE1 TYR 7 -13.157 -15.486 21.823 61 HH TYR 7 HH TYR 7 -15.647 -14.830 24.198 62 H LEU 8 HN LEU 8 -14.711 -17.814 17.220 63 HA LEU 8 HA LEU 8 -14.330 -15.122 17.734 64 HB2 LEU 8 HB2 LEU 8 -13.890 -16.797 15.277 65 HB3 LEU 8 HB1 LEU 8 -13.504 -15.081 15.266 66 HG LEU 8 HG LEU 8 -12.439 -16.940 17.412 67 HD11 LEU 8 HD11 LEU 8 -11.709 -17.858 15.276 68 HD12 LEU 8 HD12 LEU 8 -10.345 -17.051 16.048 69 HD13 LEU 8 HD13 LEU 8 -11.205 -16.261 14.726 70 HD21 LEU 8 HD21 LEU 8 -12.098 -14.649 18.041 71 HD22 LEU 8 HD22 LEU 8 -11.707 -14.165 16.396 72 HD23 LEU 8 HD23 LEU 8 -10.565 -15.128 17.323 73 H THR 9 HN THR 9 -16.667 -16.658 15.558 74 HA THR 9 HA THR 9 -17.571 -14.298 14.297 75 HB THR 9 HB THR 9 -19.099 -16.837 14.939 76 HG1 THR 9 HG1 THR 9 -17.680 -17.504 13.525 77 HG21 THR 9 HG21 THR 9 -20.510 -16.077 12.987 78 HG22 THR 9 HG22 THR 9 -19.706 -14.511 13.103 79 HG23 THR 9 HG23 THR 9 -20.684 -15.104 14.447 80 H ARG 10 HN ARG 10 -18.661 -15.983 17.246 81 HA ARG 10 HA ARG 10 -20.765 -14.231 17.894 82 HB2 ARG 10 HB2 ARG 10 -20.410 -16.440 18.989 83 HB3 ARG 10 HB1 ARG 10 -18.996 -15.772 19.807 84 HG2 ARG 10 HG2 ARG 10 -20.398 -14.086 20.910 85 HG3 ARG 10 HG1 ARG 10 -21.820 -14.698 20.063 86 HD2 ARG 10 HD2 ARG 10 -21.429 -16.927 21.142 87 HD3 ARG 10 HD1 ARG 10 -20.132 -16.197 22.083 88 HE ARG 10 HE ARG 10 -22.457 -14.646 22.429 89 HH11 ARG 10 HH21 ARG 10 -21.215 -17.803 23.124 90 HH12 ARG 10 HH22 ARG 10 -22.159 -18.007 24.561 91 HH21 ARG 10 HH11 ARG 10 -23.693 -14.908 24.314 92 HH22 ARG 10 HH12 ARG 10 -23.558 -16.369 25.236 93 H SER 11 HN SER 11 -17.369 -14.277 18.741 94 HA SER 11 HA SER 11 -17.403 -11.952 20.376 95 HB2 SER 11 HB2 SER 11 -15.615 -13.773 20.322 96 HB3 SER 11 HB1 SER 11 -15.018 -13.003 18.858 97 HG SER 11 HG1 SER 11 -15.081 -12.082 21.514 98 H ALA 12 HN ALA 12 -17.507 -12.446 17.002 99 HA ALA 12 HA ALA 12 -16.286 -9.986 16.191 100 HB1 ALA 12 HB1 ALA 12 -18.222 -11.560 14.514 101 HB2 ALA 12 HB2 ALA 12 -16.569 -12.115 14.778 102 HB3 ALA 12 HB3 ALA 12 -16.862 -10.566 13.989 103 H ILE 13 HN ILE 13 -19.554 -11.059 16.845 104 HA ILE 13 HA ILE 13 -20.734 -8.578 15.937 105 HB ILE 13 HB ILE 13 -22.059 -10.588 15.704 106 HG12 ILE 13 HG12 ILE 13 -23.295 -8.970 17.944 107 HG13 ILE 13 HG11 ILE 13 -23.103 -8.323 16.315 108 HG21 ILE 13 HG21 ILE 13 -21.346 -12.032 17.409 109 HG22 ILE 13 HG22 ILE 13 -22.977 -11.605 17.908 110 HG23 ILE 13 HG23 ILE 13 -21.586 -10.834 18.675 111 HD11 ILE 13 HD3 ILE 13 -25.347 -9.478 16.905 112 HD12 ILE 13 HD1 ILE 13 -24.446 -10.989 16.762 113 HD13 ILE 13 HD2 ILE 13 -24.576 -9.902 15.377 114 H ARG 14 HN ARG 14 -19.511 -9.853 18.911 115 HA ARG 14 HA ARG 14 -20.847 -8.124 20.713 116 HB2 ARG 14 HB2 ARG 14 -19.459 -10.089 21.409 117 HB3 ARG 14 HB1 ARG 14 -18.016 -9.179 20.957 118 HG2 ARG 14 HG2 ARG 14 -18.559 -7.431 22.582 119 HG3 ARG 14 HG1 ARG 14 -20.061 -8.255 22.996 120 HD2 ARG 14 HD2 ARG 14 -18.407 -8.802 24.684 121 HD3 ARG 14 HD1 ARG 14 -18.728 -10.236 23.720 122 HE ARG 14 HE ARG 14 -16.560 -10.085 22.825 123 HH11 ARG 14 HH21 ARG 14 -17.370 -7.322 24.748 124 HH12 ARG 14 HH22 ARG 14 -15.748 -6.722 24.815 125 HH21 ARG 14 HH11 ARG 14 -14.434 -9.303 22.912 126 HH22 ARG 14 HH12 ARG 14 -14.087 -7.843 23.776 127 H ARG 15 HN ARG 15 -17.898 -7.813 18.900 128 HA ARG 15 HA ARG 15 -16.877 -5.450 19.787 129 HB2 ARG 15 HB2 ARG 15 -16.886 -5.896 16.808 130 HB3 ARG 15 HB1 ARG 15 -15.572 -5.352 17.846 131 HG2 ARG 15 HG2 ARG 15 -16.688 -8.126 17.607 132 HG3 ARG 15 HG1 ARG 15 -15.091 -7.591 17.127 133 HD2 ARG 15 HD2 ARG 15 -14.864 -6.923 19.666 134 HD3 ARG 15 HD1 ARG 15 -16.173 -8.079 19.889 135 HE ARG 15 HE ARG 15 -14.368 -9.443 18.360 136 HH11 ARG 15 HH21 ARG 15 -14.226 -7.646 21.313 137 HH12 ARG 15 HH22 ARG 15 -12.945 -8.596 21.991 138 HH21 ARG 15 HH11 ARG 15 -12.694 -10.696 19.242 139 HH22 ARG 15 HH12 ARG 15 -12.076 -10.326 20.818 140 H ALA 16 HN ALA 16 -19.581 -5.956 17.626 141 HA ALA 16 HA ALA 16 -19.905 -3.288 16.767 142 HB1 ALA 16 HB1 ALA 16 -21.185 -5.222 15.797 143 HB2 ALA 16 HB2 ALA 16 -22.226 -3.876 16.262 144 HB3 ALA 16 HB3 ALA 16 -22.114 -5.301 17.294 145 H SER 17 HN SER 17 -20.566 -5.017 19.612 146 HA SER 17 HA SER 17 -22.225 -3.014 20.860 147 HB2 SER 17 HB2 SER 17 -20.704 -5.044 22.484 148 HB3 SER 17 HB1 SER 17 -22.337 -4.431 22.704 149 HG SER 17 HG1 SER 17 -22.661 -5.534 20.533 150 H THR 18 HN THR 18 -18.942 -4.202 21.815 151 HA THR 18 HA THR 18 -18.177 -1.407 22.384 152 HB THR 18 HB THR 18 -18.761 -2.396 24.498 153 HG1 THR 18 HG1 THR 18 -16.443 -2.518 25.324 154 HG21 THR 18 HG21 THR 18 -18.645 -4.731 24.119 155 HG22 THR 18 HG22 THR 18 -17.360 -4.392 25.277 156 HG23 THR 18 HG23 THR 18 -16.970 -4.642 23.576 157 H ILE 19 HN ILE 19 -17.415 -2.616 20.036 158 HA ILE 19 HA ILE 19 -15.090 -4.040 19.717 159 HB ILE 19 HB ILE 19 -16.098 -3.076 17.769 160 HG12 ILE 19 HG12 ILE 19 -13.501 -1.549 18.025 161 HG13 ILE 19 HG11 ILE 19 -13.521 -3.304 17.861 162 HG21 ILE 19 HG21 ILE 19 -15.942 -0.566 17.419 163 HG22 ILE 19 HG22 ILE 19 -15.501 -0.446 19.123 164 HG23 ILE 19 HG23 ILE 19 -17.075 -1.102 18.661 165 HD11 ILE 19 HD3 ILE 19 -14.864 -3.049 15.763 166 HD12 ILE 19 HD1 ILE 19 -13.267 -2.307 15.651 167 HD13 ILE 19 HD2 ILE 19 -14.691 -1.299 15.909 168 H GLU 20 HN GLU 20 -15.418 -0.953 21.201 169 HA GLU 20 HA GLU 20 -12.505 -0.716 21.688 170 HB2 GLU 20 HB2 GLU 20 -13.667 1.284 20.746 171 HB3 GLU 20 HB1 GLU 20 -14.745 1.284 22.142 172 HG2 GLU 20 HG2 GLU 20 -12.804 1.588 23.648 173 HG3 GLU 20 HG1 GLU 20 -11.728 1.595 22.252 174 H MET 21 HN MET 21 -12.633 -2.500 23.219 175 HA MET 21 HA MET 21 -14.322 -2.305 25.514 176 HB2 MET 21 HB2 MET 21 -12.589 -4.267 24.342 177 HB3 MET 21 HB1 MET 21 -12.110 -4.104 26.023 178 HG2 MET 21 HG2 MET 21 -14.891 -4.760 24.961 179 HG3 MET 21 HG1 MET 21 -13.815 -5.848 25.832 180 HE1 MET 21 HE1 MET 21 -13.620 -4.484 29.351 181 HE2 MET 21 HE2 MET 21 -12.735 -3.500 28.190 182 HE3 MET 21 HE3 MET 21 -12.772 -5.249 27.992 183 HA PRO 22 HA PRO 22 -10.677 -0.697 27.902 184 HB2 PRO 22 HB2 PRO 22 -8.146 -0.931 27.137 185 HB3 PRO 22 HB1 PRO 22 -9.092 -2.373 27.571 186 HG2 PRO 22 HG2 PRO 22 -8.223 -1.462 24.876 187 HG3 PRO 22 HG1 PRO 22 -8.578 -3.101 25.451 188 HD2 PRO 22 HD2 PRO 22 -10.371 -1.307 24.018 189 HD3 PRO 22 HD1 PRO 22 -10.692 -2.955 24.569 190 H GLN 23 HN GLN 23 -8.315 0.121 25.674 191 HA GLN 23 HA GLN 23 -9.335 2.711 24.828 192 HB2 GLN 23 HB2 GLN 23 -7.044 2.515 26.796 193 HB3 GLN 23 HB1 GLN 23 -7.417 3.959 25.867 194 HG2 GLN 23 HG2 GLN 23 -9.209 2.637 27.935 195 HG3 GLN 23 HG1 GLN 23 -8.336 4.147 28.118 196 HE21 GLN 23 HE21 GLN 23 -11.376 3.359 27.912 197 HE22 GLN 23 HE22 GLN 23 -11.979 4.515 26.825 198 H GLN 24 HN GLN 24 -7.068 0.143 24.773 199 HA GLN 24 HA GLN 24 -5.193 1.377 22.971 200 HB2 GLN 24 HB2 GLN 24 -5.561 -1.475 23.916 201 HB3 GLN 24 HB1 GLN 24 -4.254 -0.939 22.856 202 HG2 GLN 24 HG2 GLN 24 -3.506 0.671 24.552 203 HG3 GLN 24 HG1 GLN 24 -4.819 0.176 25.616 204 HE21 GLN 24 HE21 GLN 24 -3.996 -1.133 27.238 205 HE22 GLN 24 HE22 GLN 24 -2.811 -2.330 27.021 206 H ALA 25 HN ALA 25 -8.220 -0.061 22.751 207 HA ALA 25 HA ALA 25 -8.063 -1.341 20.243 208 HB1 ALA 25 HB1 ALA 25 -10.626 -0.646 20.258 209 HB2 ALA 25 HB2 ALA 25 -10.252 -0.190 21.921 210 HB3 ALA 25 HB3 ALA 25 -10.023 -1.854 21.398 211 H ARG 26 HN ARG 26 -8.408 1.980 21.240 212 HA ARG 26 HA ARG 26 -9.237 3.077 18.774 213 HB2 ARG 26 HB2 ARG 26 -7.739 4.271 21.108 214 HB3 ARG 26 HB1 ARG 26 -8.265 5.215 19.711 215 HG2 ARG 26 HG2 ARG 26 -10.589 4.574 20.103 216 HG3 ARG 26 HG1 ARG 26 -10.102 3.547 21.451 217 HD2 ARG 26 HD2 ARG 26 -10.896 5.632 22.364 218 HD3 ARG 26 HD1 ARG 26 -9.152 5.579 22.571 219 HE ARG 26 HE ARG 26 -9.761 6.871 20.129 220 HH11 ARG 26 HH21 ARG 26 -10.011 7.238 23.553 221 HH12 ARG 26 HH22 ARG 26 -9.938 8.969 23.521 222 HH21 ARG 26 HH11 ARG 26 -9.666 9.147 20.063 223 HH22 ARG 26 HH12 ARG 26 -9.745 10.051 21.539 224 H GLN 27 HN GLN 27 -5.911 2.720 20.169 225 HA GLN 27 HA GLN 27 -4.741 3.686 17.699 226 HB2 GLN 27 HB2 GLN 27 -3.755 4.258 19.886 227 HB3 GLN 27 HB1 GLN 27 -3.452 2.546 20.188 228 HG2 GLN 27 HG2 GLN 27 -1.968 2.420 18.259 229 HG3 GLN 27 HG1 GLN 27 -2.350 4.082 17.821 230 HE21 GLN 27 HE21 GLN 27 0.336 3.175 18.396 231 HE22 GLN 27 HE22 GLN 27 0.857 3.979 19.797 232 H ASN 28 HN ASN 28 -5.275 0.595 19.342 233 HA ASN 28 HA ASN 28 -3.505 -0.933 17.734 234 HB2 ASN 28 HB2 ASN 28 -5.986 -1.717 19.255 235 HB3 ASN 28 HB1 ASN 28 -4.978 -2.880 18.400 236 HD21 ASN 28 HD21 ASN 28 -5.214 -3.107 21.202 237 HD22 ASN 28 HD22 ASN 28 -3.741 -2.666 21.921 238 H LEU 29 HN LEU 29 -6.914 -0.134 17.393 239 HA LEU 29 HA LEU 29 -7.307 -1.658 15.033 240 HB2 LEU 29 HB2 LEU 29 -8.816 0.690 16.187 241 HB3 LEU 29 HB1 LEU 29 -9.335 -0.180 14.750 242 HG LEU 29 HG LEU 29 -8.823 -1.535 17.418 243 HD11 LEU 29 HD11 LEU 29 -10.702 0.179 17.463 244 HD12 LEU 29 HD12 LEU 29 -11.176 -1.474 17.845 245 HD13 LEU 29 HD13 LEU 29 -11.521 -0.808 16.250 246 HD21 LEU 29 HD21 LEU 29 -8.780 -3.263 15.838 247 HD22 LEU 29 HD22 LEU 29 -9.868 -2.436 14.728 248 HD23 LEU 29 HD23 LEU 29 -10.508 -3.210 16.174 249 H GLN 30 HN GLN 30 -6.356 1.707 15.697 250 HA GLN 30 HA GLN 30 -6.371 2.430 12.943 251 HB2 GLN 30 HB2 GLN 30 -5.119 3.681 15.384 252 HB3 GLN 30 HB1 GLN 30 -4.993 4.388 13.772 253 HG2 GLN 30 HG2 GLN 30 -7.396 4.556 13.585 254 HG3 GLN 30 HG1 GLN 30 -7.618 3.693 15.103 255 HE21 GLN 30 HE21 GLN 30 -8.858 5.986 15.327 256 HE22 GLN 30 HE22 GLN 30 -7.947 7.195 16.095 257 H ASN 31 HN ASN 31 -4.057 0.910 15.092 258 HA ASN 31 HA ASN 31 -1.711 1.380 13.629 259 HB2 ASN 31 HB2 ASN 31 -1.637 0.489 15.890 260 HB3 ASN 31 HB1 ASN 31 -2.490 -0.961 15.368 261 HD21 ASN 31 HD21 ASN 31 0.380 0.862 14.117 262 HD22 ASN 31 HD22 ASN 31 1.357 -0.519 13.974 263 H LEU 32 HN LEU 32 -4.077 -1.218 13.445 264 HA LEU 32 HA LEU 32 -2.759 -2.702 11.465 265 HB2 LEU 32 HB2 LEU 32 -5.604 -2.593 12.445 266 HB3 LEU 32 HB1 LEU 32 -5.251 -3.482 10.968 267 HG LEU 32 HG LEU 32 -3.460 -4.737 12.311 268 HD11 LEU 32 HD11 LEU 32 -5.017 -3.628 14.660 269 HD12 LEU 32 HD12 LEU 32 -3.409 -3.064 14.205 270 HD13 LEU 32 HD13 LEU 32 -3.646 -4.730 14.721 271 HD21 LEU 32 HD21 LEU 32 -5.209 -6.163 13.447 272 HD22 LEU 32 HD22 LEU 32 -5.532 -5.821 11.748 273 HD23 LEU 32 HD23 LEU 32 -6.401 -4.940 13.004 274 H PHE 33 HN PHE 33 -5.143 -0.122 11.360 275 HA PHE 33 HA PHE 33 -5.495 -0.093 8.559 276 HB2 PHE 33 HB2 PHE 33 -6.996 1.114 10.076 277 HB3 PHE 33 HB1 PHE 33 -5.678 2.198 10.526 278 HD1 PHE 33 HD2 PHE 33 -7.634 0.986 7.575 279 HD2 PHE 33 HD1 PHE 33 -5.216 4.128 9.235 280 HE1 PHE 33 HE2 PHE 33 -8.133 2.413 5.609 281 HE2 PHE 33 HE1 PHE 33 -5.717 5.553 7.267 282 HZ PHE 33 HZ PHE 33 -7.175 4.695 5.455 283 H ILE 34 HN ILE 34 -3.324 1.749 10.670 284 HA ILE 34 HA ILE 34 -2.017 3.178 8.597 285 HB ILE 34 HB ILE 34 -1.175 2.504 11.425 286 HG12 ILE 34 HG12 ILE 34 -2.050 5.136 10.209 287 HG13 ILE 34 HG11 ILE 34 -3.187 4.009 10.950 288 HG21 ILE 34 HG21 ILE 34 0.868 2.919 10.256 289 HG22 ILE 34 HG22 ILE 34 0.447 4.438 11.046 290 HG23 ILE 34 HG23 ILE 34 0.149 4.229 9.320 291 HD11 ILE 34 HD3 ILE 34 -2.077 4.170 13.080 292 HD12 ILE 34 HD1 ILE 34 -2.343 5.815 12.502 293 HD13 ILE 34 HD2 ILE 34 -0.743 5.084 12.374 294 H ASN 35 HN ASN 35 -1.077 0.202 10.342 295 HA ASN 35 HA ASN 35 1.326 -0.215 8.935 296 HB2 ASN 35 HB2 ASN 35 -0.477 -2.046 10.513 297 HB3 ASN 35 HB1 ASN 35 1.008 -2.616 9.751 298 HD21 ASN 35 HD21 ASN 35 0.732 -2.663 12.592 299 HD22 ASN 35 HD22 ASN 35 1.801 -1.521 13.252 300 H PHE 36 HN PHE 36 -1.949 -1.452 8.579 301 HA PHE 36 HA PHE 36 -1.412 -3.092 6.356 302 HB2 PHE 36 HB2 PHE 36 -3.476 -3.322 7.685 303 HB3 PHE 36 HB1 PHE 36 -4.040 -1.772 7.051 304 HD1 PHE 36 HD1 PHE 36 -2.641 -5.023 5.804 305 HD2 PHE 36 HD2 PHE 36 -5.453 -1.836 5.175 306 HE1 PHE 36 HE1 PHE 36 -3.529 -6.200 3.813 307 HE2 PHE 36 HE2 PHE 36 -6.340 -3.012 3.184 308 HZ PHE 36 HZ PHE 36 -5.379 -5.194 2.501 309 H ALA 37 HN ALA 37 -1.946 0.355 6.603 310 HA ALA 37 HA ALA 37 -2.530 0.731 3.832 311 HB1 ALA 37 HB1 ALA 37 -3.334 2.403 5.332 312 HB2 ALA 37 HB2 ALA 37 -2.021 3.148 4.421 313 HB3 ALA 37 HB3 ALA 37 -1.746 2.598 6.073 314 H LEU 38 HN LEU 38 0.319 0.798 5.908 315 HA LEU 38 HA LEU 38 2.146 1.927 4.082 316 HB2 LEU 38 HB2 LEU 38 2.463 0.135 6.477 317 HB3 LEU 38 HB1 LEU 38 3.864 0.597 5.518 318 HG LEU 38 HG LEU 38 1.913 2.600 6.694 319 HD11 LEU 38 HD11 LEU 38 4.437 1.390 7.837 320 HD12 LEU 38 HD12 LEU 38 2.850 1.529 8.592 321 HD13 LEU 38 HD13 LEU 38 3.842 2.966 8.359 322 HD21 LEU 38 HD21 LEU 38 4.178 4.010 6.442 323 HD22 LEU 38 HD22 LEU 38 3.124 3.783 5.060 324 HD23 LEU 38 HD23 LEU 38 4.560 2.784 5.233 325 H ILE 39 HN ILE 39 1.130 -1.432 4.606 326 HA ILE 39 HA ILE 39 3.037 -2.613 2.859 327 HB ILE 39 HB ILE 39 0.274 -3.523 3.721 328 HG12 ILE 39 HG12 ILE 39 3.011 -4.539 4.540 329 HG13 ILE 39 HG11 ILE 39 2.147 -3.289 5.437 330 HG21 ILE 39 HG21 ILE 39 2.418 -4.908 2.096 331 HG22 ILE 39 HG22 ILE 39 0.727 -4.654 1.663 332 HG23 ILE 39 HG23 ILE 39 1.148 -5.788 2.946 333 HD11 ILE 39 HD3 ILE 39 1.664 -5.415 6.471 334 HD12 ILE 39 HD1 ILE 39 1.222 -6.123 4.918 335 HD13 ILE 39 HD2 ILE 39 0.207 -4.873 5.638 336 H LEU 40 HN LEU 40 -0.228 -1.396 2.457 337 HA LEU 40 HA LEU 40 -0.520 -2.074 -0.293 338 HB2 LEU 40 HB2 LEU 40 -1.803 0.124 1.344 339 HB3 LEU 40 HB1 LEU 40 -2.270 -0.251 -0.312 340 HG LEU 40 HG LEU 40 -2.285 -2.278 1.941 341 HD11 LEU 40 HD11 LEU 40 -3.915 -0.674 2.558 342 HD12 LEU 40 HD12 LEU 40 -4.826 -1.943 1.738 343 HD13 LEU 40 HD13 LEU 40 -4.445 -0.443 0.892 344 HD21 LEU 40 HD21 LEU 40 -3.117 -2.312 -0.971 345 HD22 LEU 40 HD22 LEU 40 -4.020 -3.299 0.175 346 HD23 LEU 40 HD23 LEU 40 -2.295 -3.557 -0.030 347 H ILE 41 HN ILE 41 0.591 0.857 1.327 348 HA ILE 41 HA ILE 41 1.121 2.379 -0.989 349 HB ILE 41 HB ILE 41 2.234 2.507 1.814 350 HG12 ILE 41 HG12 ILE 41 0.355 4.384 0.364 351 HG13 ILE 41 HG11 ILE 41 -0.224 3.006 1.294 352 HG21 ILE 41 HG21 ILE 41 2.945 4.840 1.104 353 HG22 ILE 41 HG22 ILE 41 2.699 4.310 -0.559 354 HG23 ILE 41 HG23 ILE 41 3.908 3.520 0.449 355 HD11 ILE 41 HD3 ILE 41 0.875 3.865 3.306 356 HD12 ILE 41 HD1 ILE 41 -0.211 5.086 2.642 357 HD13 ILE 41 HD2 ILE 41 1.530 5.220 2.387 358 H PHE 42 HN PHE 42 3.303 0.316 0.980 359 HA PHE 42 HA PHE 42 5.635 0.790 -0.500 360 HB2 PHE 42 HB2 PHE 42 5.571 -0.360 1.697 361 HB3 PHE 42 HB1 PHE 42 4.851 -1.769 0.918 362 HD1 PHE 42 HD1 PHE 42 7.856 0.435 0.916 363 HD2 PHE 42 HD2 PHE 42 6.194 -3.350 -0.251 364 HE1 PHE 42 HE1 PHE 42 10.113 -0.352 0.261 365 HE2 PHE 42 HE2 PHE 42 8.453 -4.138 -0.906 366 HZ PHE 42 HZ PHE 42 10.413 -2.638 -0.650 367 H LEU 43 HN LEU 43 3.144 -1.701 -0.903 368 HA LEU 43 HA LEU 43 4.343 -3.053 -3.065 369 HB2 LEU 43 HB2 LEU 43 1.460 -2.800 -2.202 370 HB3 LEU 43 HB1 LEU 43 1.970 -3.841 -3.526 371 HG LEU 43 HG LEU 43 3.145 -4.019 -0.734 372 HD11 LEU 43 HD11 LEU 43 0.914 -5.685 -1.939 373 HD12 LEU 43 HD12 LEU 43 0.704 -4.456 -0.691 374 HD13 LEU 43 HD13 LEU 43 1.638 -5.912 -0.347 375 HD21 LEU 43 HD21 LEU 43 3.350 -5.678 -3.264 376 HD22 LEU 43 HD22 LEU 43 3.541 -6.468 -1.701 377 HD23 LEU 43 HD23 LEU 43 4.628 -5.170 -2.164 378 H LEU 44 HN LEU 44 2.172 -0.273 -2.939 379 HA LEU 44 HA LEU 44 1.761 -0.108 -5.743 380 HB2 LEU 44 HB2 LEU 44 1.491 1.919 -3.529 381 HB3 LEU 44 HB1 LEU 44 1.139 2.314 -5.205 382 HG LEU 44 HG LEU 44 -0.141 -0.038 -3.788 383 HD11 LEU 44 HD11 LEU 44 -2.144 1.531 -3.597 384 HD12 LEU 44 HD12 LEU 44 -1.020 2.852 -3.924 385 HD13 LEU 44 HD13 LEU 44 -0.806 1.843 -2.492 386 HD21 LEU 44 HD21 LEU 44 -1.948 0.579 -5.614 387 HD22 LEU 44 HD22 LEU 44 -0.513 -0.296 -6.114 388 HD23 LEU 44 HD23 LEU 44 -0.622 1.436 -6.396 389 H LEU 45 HN LEU 45 4.227 1.225 -3.569 390 HA LEU 45 HA LEU 45 5.390 2.979 -5.439 391 HB2 LEU 45 HB2 LEU 45 6.510 1.634 -2.996 392 HB3 LEU 45 HB1 LEU 45 7.442 2.780 -3.954 393 HG LEU 45 HG LEU 45 4.726 3.409 -2.750 394 HD11 LEU 45 HD11 LEU 45 6.183 4.806 -1.146 395 HD12 LEU 45 HD12 LEU 45 7.525 3.792 -1.674 396 HD13 LEU 45 HD13 LEU 45 6.129 3.064 -0.876 397 HD21 LEU 45 HD21 LEU 45 6.796 4.984 -4.300 398 HD22 LEU 45 HD22 LEU 45 5.849 5.825 -3.075 399 HD23 LEU 45 HD23 LEU 45 5.039 5.032 -4.415 400 H ILE 46 HN ILE 46 6.147 -0.430 -4.757 401 HA ILE 46 HA ILE 46 8.390 -0.452 -6.507 402 HB ILE 46 HB ILE 46 7.622 -2.234 -4.677 403 HG12 ILE 46 HG12 ILE 46 8.966 -4.015 -6.105 404 HG13 ILE 46 HG11 ILE 46 9.159 -2.682 -7.241 405 HG21 ILE 46 HG21 ILE 46 5.548 -2.790 -6.111 406 HG22 ILE 46 HG22 ILE 46 6.470 -4.144 -5.474 407 HG23 ILE 46 HG23 ILE 46 6.660 -3.660 -7.159 408 HD11 ILE 46 HD3 ILE 46 11.033 -2.321 -5.949 409 HD12 ILE 46 HD1 ILE 46 10.312 -3.038 -4.514 410 HD13 ILE 46 HD2 ILE 46 9.893 -1.389 -4.980 411 H ALA 47 HN ALA 47 4.979 -1.038 -6.930 412 HA ALA 47 HA ALA 47 4.991 -2.051 -9.550 413 HB1 ALA 47 HB1 ALA 47 2.974 -1.865 -8.042 414 HB2 ALA 47 HB2 ALA 47 2.693 -1.322 -9.697 415 HB3 ALA 47 HB3 ALA 47 2.937 -0.141 -8.411 416 H ILE 48 HN ILE 48 4.837 1.296 -8.377 417 HA ILE 48 HA ILE 48 4.822 2.541 -10.916 418 HB ILE 48 HB ILE 48 5.742 3.539 -8.213 419 HG12 ILE 48 HG12 ILE 48 3.249 4.197 -9.809 420 HG13 ILE 48 HG11 ILE 48 3.305 2.913 -8.600 421 HG21 ILE 48 HG21 ILE 48 6.854 4.936 -9.796 422 HG22 ILE 48 HG22 ILE 48 5.397 5.821 -9.342 423 HG23 ILE 48 HG23 ILE 48 5.460 4.951 -10.875 424 HD11 ILE 48 HD3 ILE 48 2.480 5.219 -7.806 425 HD12 ILE 48 HD1 ILE 48 4.162 5.735 -7.944 426 HD13 ILE 48 HD2 ILE 48 3.724 4.437 -6.833 427 H ILE 49 HN ILE 49 7.493 1.712 -8.713 428 HA ILE 49 HA ILE 49 9.563 2.846 -10.260 429 HB ILE 49 HB ILE 49 9.549 0.564 -8.300 430 HG12 ILE 49 HG12 ILE 49 10.582 3.396 -7.998 431 HG13 ILE 49 HG11 ILE 49 8.954 2.908 -7.532 432 HG21 ILE 49 HG21 ILE 49 11.849 1.964 -9.679 433 HG22 ILE 49 HG22 ILE 49 11.508 0.234 -9.642 434 HG23 ILE 49 HG23 ILE 49 12.050 1.056 -8.180 435 HD11 ILE 49 HD3 ILE 49 9.752 1.446 -5.841 436 HD12 ILE 49 HD1 ILE 49 10.744 2.894 -5.684 437 HD13 ILE 49 HD2 ILE 49 11.392 1.465 -6.489 438 H VAL 50 HN VAL 50 8.180 -0.390 -10.154 439 HA VAL 50 HA VAL 50 9.894 -1.544 -12.079 440 HB VAL 50 HB VAL 50 7.109 -2.259 -11.132 441 HG11 VAL 50 HG11 VAL 50 7.230 -3.158 -13.350 442 HG12 VAL 50 HG12 VAL 50 7.628 -4.492 -12.266 443 HG13 VAL 50 HG13 VAL 50 8.911 -3.647 -13.134 444 HG21 VAL 50 HG21 VAL 50 8.234 -3.944 -9.857 445 HG22 VAL 50 HG22 VAL 50 9.171 -2.468 -9.622 446 HG23 VAL 50 HG23 VAL 50 9.742 -3.705 -10.741 447 H MET 51 HN MET 51 6.681 -0.024 -12.300 448 HA MET 51 HA MET 51 6.446 -0.329 -15.113 449 HB2 MET 51 HB2 MET 51 5.027 1.387 -13.077 450 HB3 MET 51 HB1 MET 51 4.693 1.559 -14.799 451 HG2 MET 51 HG2 MET 51 4.206 -0.917 -14.874 452 HG3 MET 51 HG1 MET 51 4.348 -0.942 -13.117 453 HE1 MET 51 HE1 MET 51 1.483 0.965 -11.736 454 HE2 MET 51 HE2 MET 51 2.906 1.899 -12.182 455 HE3 MET 51 HE3 MET 51 3.103 0.271 -11.545 456 H LEU 52 HN LEU 52 8.000 2.065 -13.027 457 HA LEU 52 HA LEU 52 8.132 4.190 -14.831 458 HB2 LEU 52 HB2 LEU 52 8.731 4.410 -12.470 459 HB3 LEU 52 HB1 LEU 52 10.119 3.359 -12.714 460 HG LEU 52 HG LEU 52 11.116 4.992 -14.259 461 HD11 LEU 52 HD11 LEU 52 8.485 6.400 -13.833 462 HD12 LEU 52 HD12 LEU 52 9.363 6.106 -15.334 463 HD13 LEU 52 HD13 LEU 52 9.931 7.339 -14.216 464 HD21 LEU 52 HD21 LEU 52 11.747 5.260 -11.966 465 HD22 LEU 52 HD22 LEU 52 10.209 6.020 -11.561 466 HD23 LEU 52 HD23 LEU 52 11.381 6.881 -12.557 467 H LEU 53 HN LEU 53 10.283 1.400 -14.463 468 HA LEU 53 HA LEU 53 11.991 2.321 -16.638 469 HB2 LEU 53 HB2 LEU 53 12.089 -0.228 -15.017 470 HB3 LEU 53 HB1 LEU 53 13.325 0.334 -16.139 471 HG LEU 53 HG LEU 53 12.433 1.837 -13.657 472 HD11 LEU 53 HD11 LEU 53 13.604 -0.230 -13.071 473 HD12 LEU 53 HD12 LEU 53 14.652 1.155 -12.765 474 HD13 LEU 53 HD13 LEU 53 14.903 0.159 -14.200 475 HD21 LEU 53 HD21 LEU 53 14.738 2.998 -14.202 476 HD22 LEU 53 HD22 LEU 53 13.319 3.470 -15.125 477 HD23 LEU 53 HD23 LEU 53 14.489 2.349 -15.824 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -18.125 -31.735 14.941 2 H2 ALA 1 HT2 ALA 1 -16.618 -32.386 14.503 3 H3 ALA 1 HT3 ALA 1 -17.783 -32.049 13.314 4 HA ALA 1 HA ALA 1 -15.955 -30.262 14.703 5 HB1 ALA 1 HB1 ALA 1 -17.220 -30.496 11.970 6 HB2 ALA 1 HB2 ALA 1 -15.514 -30.636 12.402 7 HB3 ALA 1 HB3 ALA 1 -16.306 -29.063 12.443 8 H MET 2 HN MET 2 -19.296 -30.329 13.485 9 HA MET 2 HA MET 2 -20.262 -27.861 13.667 10 HB2 MET 2 HB2 MET 2 -21.503 -30.288 14.954 11 HB3 MET 2 HB1 MET 2 -22.358 -28.777 14.661 12 HG2 MET 2 HG2 MET 2 -21.014 -30.436 12.502 13 HG3 MET 2 HG1 MET 2 -22.741 -30.473 12.860 14 HE1 MET 2 HE1 MET 2 -23.347 -27.078 13.373 15 HE2 MET 2 HE2 MET 2 -24.154 -28.602 13.034 16 HE3 MET 2 HE3 MET 2 -24.228 -27.304 11.850 17 H GLU 3 HN GLU 3 -19.250 -29.716 16.487 18 HA GLU 3 HA GLU 3 -20.262 -27.817 18.385 19 HB2 GLU 3 HB2 GLU 3 -18.306 -30.098 18.656 20 HB3 GLU 3 HB1 GLU 3 -18.868 -29.116 20.010 21 HG2 GLU 3 HG2 GLU 3 -21.188 -29.747 19.549 22 HG3 GLU 3 HG1 GLU 3 -20.674 -30.671 18.139 23 H LYS 4 HN LYS 4 -16.900 -28.755 17.598 24 HA LYS 4 HA LYS 4 -15.688 -26.622 18.937 25 HB2 LYS 4 HB2 LYS 4 -14.740 -28.871 18.034 26 HB3 LYS 4 HB1 LYS 4 -14.451 -27.968 16.553 27 HG2 LYS 4 HG2 LYS 4 -13.076 -26.353 17.751 28 HG3 LYS 4 HG1 LYS 4 -13.454 -27.125 19.294 29 HD2 LYS 4 HD2 LYS 4 -12.445 -29.260 17.727 30 HD3 LYS 4 HD1 LYS 4 -11.421 -27.895 17.279 31 HE2 LYS 4 HE2 LYS 4 -11.144 -27.480 19.788 32 HE3 LYS 4 HE1 LYS 4 -11.877 -29.069 20.022 33 HZ1 LYS 4 HZ1 LYS 4 -10.089 -30.128 19.155 34 HZ2 LYS 4 HZ2 LYS 4 -9.288 -28.754 19.759 35 HZ3 LYS 4 HZ3 LYS 4 -9.681 -28.860 18.111 36 H VAL 5 HN VAL 5 -16.637 -26.987 15.573 37 HA VAL 5 HA VAL 5 -15.451 -24.602 14.644 38 HB VAL 5 HB VAL 5 -16.374 -26.560 13.262 39 HG11 VAL 5 HG11 VAL 5 -18.644 -26.539 12.607 40 HG12 VAL 5 HG12 VAL 5 -18.907 -24.919 13.247 41 HG13 VAL 5 HG13 VAL 5 -18.688 -26.279 14.351 42 HG21 VAL 5 HG21 VAL 5 -16.896 -25.026 11.339 43 HG22 VAL 5 HG22 VAL 5 -15.435 -24.562 12.213 44 HG23 VAL 5 HG23 VAL 5 -16.937 -23.679 12.476 45 H GLN 6 HN GLN 6 -18.686 -25.259 15.872 46 HA GLN 6 HA GLN 6 -19.720 -22.680 15.427 47 HB2 GLN 6 HB2 GLN 6 -21.149 -24.649 15.870 48 HB3 GLN 6 HB1 GLN 6 -20.552 -24.692 17.528 49 HG2 GLN 6 HG2 GLN 6 -22.714 -23.549 17.448 50 HG3 GLN 6 HG1 GLN 6 -21.462 -22.399 17.892 51 HE21 GLN 6 HE21 GLN 6 -21.337 -20.536 16.637 52 HE22 GLN 6 HE22 GLN 6 -22.082 -20.338 15.124 53 H TYR 7 HN TYR 7 -18.101 -24.124 18.225 54 HA TYR 7 HA TYR 7 -18.444 -21.943 19.977 55 HB2 TYR 7 HB2 TYR 7 -17.691 -24.119 20.777 56 HB3 TYR 7 HB1 TYR 7 -16.203 -23.977 19.837 57 HD1 TYR 7 HD1 TYR 7 -18.138 -22.473 22.636 58 HD2 TYR 7 HD2 TYR 7 -14.347 -22.702 20.640 59 HE1 TYR 7 HE1 TYR 7 -17.078 -21.230 24.505 60 HE2 TYR 7 HE2 TYR 7 -13.287 -21.460 22.505 61 HH TYR 7 HH TYR 7 -15.187 -20.434 25.338 62 H LEU 8 HN LEU 8 -15.697 -22.805 17.879 63 HA LEU 8 HA LEU 8 -14.068 -20.608 18.387 64 HB2 LEU 8 HB2 LEU 8 -14.489 -22.140 15.813 65 HB3 LEU 8 HB1 LEU 8 -13.207 -20.957 16.042 66 HG LEU 8 HG LEU 8 -13.585 -23.368 17.847 67 HD11 LEU 8 HD11 LEU 8 -11.561 -24.241 16.525 68 HD12 LEU 8 HD12 LEU 8 -11.961 -23.018 15.317 69 HD13 LEU 8 HD13 LEU 8 -13.120 -24.288 15.701 70 HD21 LEU 8 HD21 LEU 8 -11.436 -21.253 17.501 71 HD22 LEU 8 HD22 LEU 8 -11.027 -22.832 18.164 72 HD23 LEU 8 HD23 LEU 8 -12.193 -21.814 18.988 73 H THR 9 HN THR 9 -16.840 -20.899 16.198 74 HA THR 9 HA THR 9 -16.558 -18.378 14.950 75 HB THR 9 HB THR 9 -19.100 -19.927 15.530 76 HG1 THR 9 HG1 THR 9 -18.084 -21.189 14.160 77 HG21 THR 9 HG21 THR 9 -19.650 -17.645 15.006 78 HG22 THR 9 HG22 THR 9 -19.941 -18.607 13.557 79 HG23 THR 9 HG23 THR 9 -18.489 -17.617 13.680 80 H ARG 10 HN ARG 10 -18.291 -19.406 17.872 81 HA ARG 10 HA ARG 10 -19.416 -16.892 18.499 82 HB2 ARG 10 HB2 ARG 10 -18.634 -19.237 20.239 83 HB3 ARG 10 HB1 ARG 10 -19.463 -17.809 20.858 84 HG2 ARG 10 HG2 ARG 10 -21.313 -18.174 19.277 85 HG3 ARG 10 HG1 ARG 10 -20.483 -19.591 18.630 86 HD2 ARG 10 HD2 ARG 10 -20.584 -20.687 20.815 87 HD3 ARG 10 HD1 ARG 10 -21.368 -19.271 21.513 88 HE ARG 10 HE ARG 10 -22.792 -20.337 19.245 89 HH11 ARG 10 HH21 ARG 10 -22.172 -20.641 22.637 90 HH12 ARG 10 HH22 ARG 10 -23.698 -21.386 22.990 91 HH21 ARG 10 HH11 ARG 10 -24.790 -21.308 19.699 92 HH22 ARG 10 HH12 ARG 10 -25.181 -21.755 21.323 93 H SER 11 HN SER 11 -16.373 -18.428 19.380 94 HA SER 11 HA SER 11 -15.455 -16.265 21.005 95 HB2 SER 11 HB2 SER 11 -14.050 -18.603 19.706 96 HB3 SER 11 HB1 SER 11 -13.190 -17.394 20.648 97 HG SER 11 HG1 SER 11 -15.320 -18.079 22.033 98 H ALA 12 HN ALA 12 -15.682 -16.792 17.642 99 HA ALA 12 HA ALA 12 -13.525 -15.149 16.810 100 HB1 ALA 12 HB1 ALA 12 -14.327 -15.401 14.620 101 HB2 ALA 12 HB2 ALA 12 -15.989 -15.631 15.155 102 HB3 ALA 12 HB3 ALA 12 -14.797 -16.905 15.408 103 H ILE 13 HN ILE 13 -16.906 -14.620 17.451 104 HA ILE 13 HA ILE 13 -16.892 -11.885 16.577 105 HB ILE 13 HB ILE 13 -18.903 -13.626 16.777 106 HG12 ILE 13 HG12 ILE 13 -19.251 -10.660 17.362 107 HG13 ILE 13 HG11 ILE 13 -19.041 -11.369 15.760 108 HG21 ILE 13 HG21 ILE 13 -19.506 -12.038 19.274 109 HG22 ILE 13 HG22 ILE 13 -18.563 -13.510 19.394 110 HG23 ILE 13 HG23 ILE 13 -20.187 -13.574 18.727 111 HD11 ILE 13 HD3 ILE 13 -21.100 -12.829 16.335 112 HD12 ILE 13 HD1 ILE 13 -21.386 -11.127 15.972 113 HD13 ILE 13 HD2 ILE 13 -21.377 -11.683 17.645 114 H ARG 14 HN ARG 14 -16.271 -13.547 19.551 115 HA ARG 14 HA ARG 14 -16.673 -11.419 21.376 116 HB2 ARG 14 HB2 ARG 14 -16.214 -13.782 22.058 117 HB3 ARG 14 HB1 ARG 14 -14.545 -13.576 21.526 118 HG2 ARG 14 HG2 ARG 14 -14.253 -11.727 23.130 119 HG3 ARG 14 HG1 ARG 14 -15.918 -11.938 23.678 120 HD2 ARG 14 HD2 ARG 14 -15.358 -14.303 24.288 121 HD3 ARG 14 HD1 ARG 14 -13.678 -13.967 23.883 122 HE ARG 14 HE ARG 14 -14.583 -12.015 25.715 123 HH11 ARG 14 HH21 ARG 14 -13.882 -15.397 25.504 124 HH12 ARG 14 HH22 ARG 14 -13.438 -15.547 27.173 125 HH21 ARG 14 HH11 ARG 14 -14.002 -12.205 27.898 126 HH22 ARG 14 HH12 ARG 14 -13.501 -13.738 28.529 127 H ARG 15 HN ARG 15 -13.916 -12.411 19.504 128 HA ARG 15 HA ARG 15 -11.949 -10.698 20.284 129 HB2 ARG 15 HB2 ARG 15 -12.632 -11.713 17.528 130 HB3 ARG 15 HB1 ARG 15 -11.107 -10.935 17.942 131 HG2 ARG 15 HG2 ARG 15 -10.594 -12.643 19.561 132 HG3 ARG 15 HG1 ARG 15 -12.180 -13.383 19.329 133 HD2 ARG 15 HD2 ARG 15 -11.648 -13.835 16.986 134 HD3 ARG 15 HD1 ARG 15 -10.069 -13.089 17.188 135 HE ARG 15 HE ARG 15 -10.234 -15.099 19.118 136 HH11 ARG 15 HH21 ARG 15 -10.380 -14.800 15.671 137 HH12 ARG 15 HH22 ARG 15 -9.727 -16.375 15.373 138 HH21 ARG 15 HH11 ARG 15 -9.392 -17.162 18.731 139 HH22 ARG 15 HH12 ARG 15 -9.171 -17.715 17.101 140 H ALA 16 HN ALA 16 -14.620 -10.152 18.060 141 HA ALA 16 HA ALA 16 -13.854 -7.647 17.079 142 HB1 ALA 16 HB1 ALA 16 -16.707 -8.443 17.709 143 HB2 ALA 16 HB2 ALA 16 -15.846 -9.016 16.286 144 HB3 ALA 16 HB3 ALA 16 -16.166 -7.291 16.487 145 H SER 17 HN SER 17 -15.079 -8.704 20.083 146 HA SER 17 HA SER 17 -15.705 -6.039 21.071 147 HB2 SER 17 HB2 SER 17 -16.792 -8.305 21.788 148 HB3 SER 17 HB1 SER 17 -15.388 -8.460 22.834 149 HG SER 17 HG1 SER 17 -17.479 -7.228 23.485 150 H THR 18 HN THR 18 -13.369 -8.557 22.184 151 HA THR 18 HA THR 18 -11.480 -6.381 22.877 152 HB THR 18 HB THR 18 -12.458 -7.221 24.913 153 HG1 THR 18 HG1 THR 18 -10.500 -7.060 25.628 154 HG21 THR 18 HG21 THR 18 -12.297 -9.597 25.514 155 HG22 THR 18 HG22 THR 18 -11.533 -9.946 23.965 156 HG23 THR 18 HG23 THR 18 -13.210 -9.408 24.016 157 H ILE 19 HN ILE 19 -11.327 -7.782 20.414 158 HA ILE 19 HA ILE 19 -9.766 -9.986 20.108 159 HB ILE 19 HB ILE 19 -10.363 -8.756 18.148 160 HG12 ILE 19 HG12 ILE 19 -7.362 -8.451 18.326 161 HG13 ILE 19 HG11 ILE 19 -8.138 -10.026 18.140 162 HG21 ILE 19 HG21 ILE 19 -9.219 -6.562 17.662 163 HG22 ILE 19 HG22 ILE 19 -8.726 -6.543 19.357 164 HG23 ILE 19 HG23 ILE 19 -10.440 -6.530 18.934 165 HD11 ILE 19 HD3 ILE 19 -8.556 -7.680 16.275 166 HD12 ILE 19 HD1 ILE 19 -9.197 -9.311 16.068 167 HD13 ILE 19 HD2 ILE 19 -7.459 -9.025 15.958 168 H GLU 20 HN GLU 20 -8.764 -7.091 21.690 169 HA GLU 20 HA GLU 20 -6.235 -8.392 22.447 170 HB2 GLU 20 HB2 GLU 20 -5.700 -7.037 20.446 171 HB3 GLU 20 HB1 GLU 20 -6.336 -5.606 21.251 172 HG2 GLU 20 HG2 GLU 20 -3.932 -5.603 21.511 173 HG3 GLU 20 HG1 GLU 20 -4.626 -5.968 23.084 174 H MET 21 HN MET 21 -7.986 -5.291 22.718 175 HA MET 21 HA MET 21 -8.629 -5.518 25.416 176 HB2 MET 21 HB2 MET 21 -5.858 -4.857 24.908 177 HB3 MET 21 HB1 MET 21 -6.610 -3.470 25.658 178 HG2 MET 21 HG2 MET 21 -6.509 -6.302 26.752 179 HG3 MET 21 HG1 MET 21 -5.665 -4.896 27.387 180 HE1 MET 21 HE1 MET 21 -8.317 -2.648 28.806 181 HE2 MET 21 HE2 MET 21 -8.284 -2.654 27.050 182 HE3 MET 21 HE3 MET 21 -6.772 -2.794 27.941 183 HA PRO 22 HA PRO 22 -11.194 -2.283 23.365 184 HB2 PRO 22 HB2 PRO 22 -11.663 -1.673 26.265 185 HB3 PRO 22 HB1 PRO 22 -12.829 -1.682 24.916 186 HG2 PRO 22 HG2 PRO 22 -12.752 -3.739 26.495 187 HG3 PRO 22 HG1 PRO 22 -12.787 -3.997 24.734 188 HD2 PRO 22 HD2 PRO 22 -10.486 -4.307 26.622 189 HD3 PRO 22 HD1 PRO 22 -10.913 -5.266 25.177 190 H GLN 23 HN GLN 23 -9.164 -1.458 26.137 191 HA GLN 23 HA GLN 23 -9.002 1.309 25.711 192 HB2 GLN 23 HB2 GLN 23 -7.094 -0.610 27.064 193 HB3 GLN 23 HB1 GLN 23 -6.926 1.148 27.113 194 HG2 GLN 23 HG2 GLN 23 -9.139 1.336 28.163 195 HG3 GLN 23 HG1 GLN 23 -9.326 -0.415 28.095 196 HE21 GLN 23 HE21 GLN 23 -9.157 -1.044 30.279 197 HE22 GLN 23 HE22 GLN 23 -7.853 -0.626 31.286 198 H GLN 24 HN GLN 24 -6.940 -1.381 24.652 199 HA GLN 24 HA GLN 24 -5.293 0.435 23.033 200 HB2 GLN 24 HB2 GLN 24 -5.082 -2.547 23.514 201 HB3 GLN 24 HB1 GLN 24 -3.919 -1.561 22.635 202 HG2 GLN 24 HG2 GLN 24 -4.678 -1.165 25.539 203 HG3 GLN 24 HG1 GLN 24 -3.212 -1.957 24.976 204 HE21 GLN 24 HE21 GLN 24 -4.182 0.916 26.202 205 HE22 GLN 24 HE22 GLN 24 -3.097 1.958 25.414 206 H ALA 25 HN ALA 25 -8.112 -1.424 22.745 207 HA ALA 25 HA ALA 25 -7.817 -2.478 20.153 208 HB1 ALA 25 HB1 ALA 25 -10.380 -1.442 21.353 209 HB2 ALA 25 HB2 ALA 25 -9.654 -2.995 21.790 210 HB3 ALA 25 HB3 ALA 25 -10.186 -2.708 20.142 211 H ARG 26 HN ARG 26 -8.801 0.643 21.379 212 HA ARG 26 HA ARG 26 -9.755 1.794 19.047 213 HB2 ARG 26 HB2 ARG 26 -9.929 2.721 21.336 214 HB3 ARG 26 HB1 ARG 26 -8.208 3.094 21.280 215 HG2 ARG 26 HG2 ARG 26 -8.573 4.520 19.327 216 HG3 ARG 26 HG1 ARG 26 -10.290 4.145 19.379 217 HD2 ARG 26 HD2 ARG 26 -10.380 5.093 21.686 218 HD3 ARG 26 HD1 ARG 26 -8.697 5.579 21.511 219 HE ARG 26 HE ARG 26 -9.367 7.275 20.025 220 HH11 ARG 26 HH21 ARG 26 -11.963 5.124 20.817 221 HH12 ARG 26 HH22 ARG 26 -13.197 6.131 20.140 222 HH21 ARG 26 HH11 ARG 26 -10.983 8.603 19.143 223 HH22 ARG 26 HH12 ARG 26 -12.643 8.107 19.194 224 H GLN 27 HN GLN 27 -6.392 1.977 20.359 225 HA GLN 27 HA GLN 27 -5.444 3.203 17.918 226 HB2 GLN 27 HB2 GLN 27 -4.056 2.268 20.428 227 HB3 GLN 27 HB1 GLN 27 -3.235 3.057 19.081 228 HG2 GLN 27 HG2 GLN 27 -4.655 5.031 19.331 229 HG3 GLN 27 HG1 GLN 27 -5.561 4.237 20.618 230 HE21 GLN 27 HE21 GLN 27 -4.549 6.512 21.532 231 HE22 GLN 27 HE22 GLN 27 -3.111 6.293 22.411 232 H ASN 28 HN ASN 28 -5.494 -0.024 19.323 233 HA ASN 28 HA ASN 28 -3.445 -1.114 17.677 234 HB2 ASN 28 HB2 ASN 28 -5.799 -2.422 19.030 235 HB3 ASN 28 HB1 ASN 28 -4.558 -3.315 18.163 236 HD21 ASN 28 HD21 ASN 28 -2.774 -0.848 19.329 237 HD22 ASN 28 HD22 ASN 28 -2.338 -1.473 20.845 238 H LEU 29 HN LEU 29 -6.938 -0.795 17.278 239 HA LEU 29 HA LEU 29 -7.063 -2.214 14.819 240 HB2 LEU 29 HB2 LEU 29 -8.958 -0.446 16.318 241 HB3 LEU 29 HB1 LEU 29 -9.280 -0.664 14.610 242 HG LEU 29 HG LEU 29 -9.189 -3.143 14.985 243 HD11 LEU 29 HD11 LEU 29 -9.466 -2.564 17.927 244 HD12 LEU 29 HD12 LEU 29 -7.894 -2.888 17.207 245 HD13 LEU 29 HD13 LEU 29 -9.163 -4.104 17.133 246 HD21 LEU 29 HD21 LEU 29 -11.223 -1.462 16.463 247 HD22 LEU 29 HD22 LEU 29 -11.412 -3.201 16.217 248 HD23 LEU 29 HD23 LEU 29 -11.340 -2.118 14.828 249 H GLN 30 HN GLN 30 -6.605 1.253 15.650 250 HA GLN 30 HA GLN 30 -6.726 2.071 12.954 251 HB2 GLN 30 HB2 GLN 30 -5.581 3.347 15.432 252 HB3 GLN 30 HB1 GLN 30 -5.593 4.137 13.853 253 HG2 GLN 30 HG2 GLN 30 -8.041 3.921 13.751 254 HG3 GLN 30 HG1 GLN 30 -8.040 3.123 15.323 255 HE21 GLN 30 HE21 GLN 30 -9.536 5.237 15.579 256 HE22 GLN 30 HE22 GLN 30 -8.729 6.596 16.201 257 H ASN 31 HN ASN 31 -4.217 0.825 15.047 258 HA ASN 31 HA ASN 31 -1.970 1.624 13.558 259 HB2 ASN 31 HB2 ASN 31 -2.482 -0.683 15.429 260 HB3 ASN 31 HB1 ASN 31 -0.917 -0.463 14.646 261 HD21 ASN 31 HD21 ASN 31 -1.477 -0.215 17.555 262 HD22 ASN 31 HD22 ASN 31 -1.064 1.378 17.980 263 H LEU 32 HN LEU 32 -4.042 -1.199 13.341 264 HA LEU 32 HA LEU 32 -2.614 -2.568 11.359 265 HB2 LEU 32 HB2 LEU 32 -5.555 -2.591 12.061 266 HB3 LEU 32 HB1 LEU 32 -4.836 -3.673 10.878 267 HG LEU 32 HG LEU 32 -3.844 -3.453 13.732 268 HD11 LEU 32 HD11 LEU 32 -6.143 -4.178 13.851 269 HD12 LEU 32 HD12 LEU 32 -5.120 -5.595 14.071 270 HD13 LEU 32 HD13 LEU 32 -5.909 -5.312 12.520 271 HD21 LEU 32 HD21 LEU 32 -3.105 -5.899 13.058 272 HD22 LEU 32 HD22 LEU 32 -2.158 -4.538 12.478 273 HD23 LEU 32 HD23 LEU 32 -3.311 -5.322 11.403 274 H PHE 33 HN PHE 33 -5.186 -0.170 11.248 275 HA PHE 33 HA PHE 33 -5.531 -0.156 8.444 276 HB2 PHE 33 HB2 PHE 33 -7.143 0.908 9.927 277 HB3 PHE 33 HB1 PHE 33 -5.923 2.059 10.469 278 HD1 PHE 33 HD2 PHE 33 -7.751 0.864 7.434 279 HD2 PHE 33 HD1 PHE 33 -5.521 4.058 9.259 280 HE1 PHE 33 HE2 PHE 33 -8.304 2.346 5.514 281 HE2 PHE 33 HE1 PHE 33 -6.076 5.531 7.336 282 HZ PHE 33 HZ PHE 33 -7.455 4.681 5.479 283 H ILE 34 HN ILE 34 -3.485 1.801 10.596 284 HA ILE 34 HA ILE 34 -2.291 3.371 8.571 285 HB ILE 34 HB ILE 34 -1.353 2.621 11.347 286 HG12 ILE 34 HG12 ILE 34 -2.476 5.233 10.286 287 HG13 ILE 34 HG11 ILE 34 -3.487 3.988 11.018 288 HG21 ILE 34 HG21 ILE 34 0.111 4.683 11.033 289 HG22 ILE 34 HG22 ILE 34 -0.231 4.558 9.314 290 HG23 ILE 34 HG23 ILE 34 0.616 3.252 10.140 291 HD11 ILE 34 HD3 ILE 34 -2.284 4.145 13.108 292 HD12 ILE 34 HD1 ILE 34 -2.735 5.781 12.625 293 HD13 ILE 34 HD2 ILE 34 -1.083 5.219 12.392 294 H ASN 35 HN ASN 35 -1.165 0.403 10.221 295 HA ASN 35 HA ASN 35 1.236 0.177 8.763 296 HB2 ASN 35 HB2 ASN 35 0.912 -1.032 10.875 297 HB3 ASN 35 HB1 ASN 35 -0.392 -1.967 10.146 298 HD21 ASN 35 HD21 ASN 35 0.903 -3.955 10.561 299 HD22 ASN 35 HD22 ASN 35 2.201 -4.345 9.536 300 H PHE 36 HN PHE 36 -2.002 -1.091 8.394 301 HA PHE 36 HA PHE 36 -1.515 -2.747 6.185 302 HB2 PHE 36 HB2 PHE 36 -3.616 -2.954 7.338 303 HB3 PHE 36 HB1 PHE 36 -4.039 -1.280 6.976 304 HD1 PHE 36 HD1 PHE 36 -3.091 -4.475 5.236 305 HD2 PHE 36 HD2 PHE 36 -5.355 -0.827 5.088 306 HE1 PHE 36 HE1 PHE 36 -4.118 -5.200 3.097 307 HE2 PHE 36 HE2 PHE 36 -6.388 -1.552 2.953 308 HZ PHE 36 HZ PHE 36 -5.773 -3.732 1.957 309 H ALA 37 HN ALA 37 -1.794 0.725 6.431 310 HA ALA 37 HA ALA 37 -2.295 1.153 3.653 311 HB1 ALA 37 HB1 ALA 37 -2.881 2.739 5.561 312 HB2 ALA 37 HB2 ALA 37 -2.066 3.465 4.175 313 HB3 ALA 37 HB3 ALA 37 -1.158 3.116 5.646 314 H LEU 38 HN LEU 38 0.491 0.939 5.813 315 HA LEU 38 HA LEU 38 2.442 1.981 4.092 316 HB2 LEU 38 HB2 LEU 38 2.678 -0.099 6.267 317 HB3 LEU 38 HB1 LEU 38 4.053 0.638 5.454 318 HG LEU 38 HG LEU 38 1.934 2.179 6.978 319 HD11 LEU 38 HD11 LEU 38 3.486 0.641 8.328 320 HD12 LEU 38 HD12 LEU 38 3.478 2.344 8.785 321 HD13 LEU 38 HD13 LEU 38 4.800 1.698 7.810 322 HD21 LEU 38 HD21 LEU 38 4.385 2.962 5.391 323 HD22 LEU 38 HD22 LEU 38 3.995 3.912 6.826 324 HD23 LEU 38 HD23 LEU 38 2.826 3.781 5.515 325 H ILE 39 HN ILE 39 1.151 -1.273 4.456 326 HA ILE 39 HA ILE 39 2.970 -2.553 2.699 327 HB ILE 39 HB ILE 39 0.142 -3.273 3.509 328 HG12 ILE 39 HG12 ILE 39 2.776 -4.522 4.329 329 HG13 ILE 39 HG11 ILE 39 2.015 -3.224 5.249 330 HG21 ILE 39 HG21 ILE 39 2.189 -4.743 1.835 331 HG22 ILE 39 HG22 ILE 39 0.498 -4.416 1.453 332 HG23 ILE 39 HG23 ILE 39 0.905 -5.594 2.698 333 HD11 ILE 39 HD3 ILE 39 0.620 -5.821 4.561 334 HD12 ILE 39 HD1 ILE 39 0.052 -4.566 5.659 335 HD13 ILE 39 HD2 ILE 39 1.458 -5.541 6.085 336 H LEU 40 HN LEU 40 -0.160 -1.026 2.288 337 HA LEU 40 HA LEU 40 -0.579 -1.664 -0.437 338 HB2 LEU 40 HB2 LEU 40 -1.524 0.644 1.244 339 HB3 LEU 40 HB1 LEU 40 -1.957 0.526 -0.464 340 HG LEU 40 HG LEU 40 -2.486 -1.635 1.604 341 HD11 LEU 40 HD11 LEU 40 -4.204 0.607 0.535 342 HD12 LEU 40 HD12 LEU 40 -3.873 0.185 2.213 343 HD13 LEU 40 HD13 LEU 40 -4.912 -0.850 1.235 344 HD21 LEU 40 HD21 LEU 40 -3.006 -1.370 -1.359 345 HD22 LEU 40 HD22 LEU 40 -4.222 -2.201 -0.386 346 HD23 LEU 40 HD23 LEU 40 -2.574 -2.800 -0.422 347 H ILE 41 HN ILE 41 0.738 1.389 0.864 348 HA ILE 41 HA ILE 41 1.447 2.456 -1.636 349 HB ILE 41 HB ILE 41 2.970 3.937 -0.381 350 HG12 ILE 41 HG12 ILE 41 2.181 2.114 1.866 351 HG13 ILE 41 HG11 ILE 41 3.811 2.350 1.257 352 HG21 ILE 41 HG21 ILE 41 1.229 5.057 0.836 353 HG22 ILE 41 HG22 ILE 41 0.360 3.542 1.091 354 HG23 ILE 41 HG23 ILE 41 0.442 4.251 -0.523 355 HD11 ILE 41 HD3 ILE 41 3.735 3.716 3.182 356 HD12 ILE 41 HD1 ILE 41 2.105 4.278 2.828 357 HD13 ILE 41 HD2 ILE 41 3.461 4.848 1.855 358 H PHE 42 HN PHE 42 3.432 0.426 0.543 359 HA PHE 42 HA PHE 42 5.834 0.603 -0.858 360 HB2 PHE 42 HB2 PHE 42 5.696 -0.528 1.279 361 HB3 PHE 42 HB1 PHE 42 4.627 -1.751 0.600 362 HD1 PHE 42 HD1 PHE 42 8.025 -0.251 0.177 363 HD2 PHE 42 HD2 PHE 42 5.532 -3.708 -0.360 364 HE1 PHE 42 HE1 PHE 42 10.003 -1.568 -0.537 365 HE2 PHE 42 HE2 PHE 42 7.502 -5.024 -1.069 366 HZ PHE 42 HZ PHE 42 9.744 -3.953 -1.159 367 H LEU 43 HN LEU 43 3.129 -1.595 -1.328 368 HA LEU 43 HA LEU 43 4.181 -3.057 -3.503 369 HB2 LEU 43 HB2 LEU 43 1.342 -2.470 -2.664 370 HB3 LEU 43 HB1 LEU 43 1.756 -3.590 -3.961 371 HG LEU 43 HG LEU 43 2.829 -3.820 -1.133 372 HD11 LEU 43 HD11 LEU 43 1.140 -5.543 -0.763 373 HD12 LEU 43 HD12 LEU 43 0.520 -5.320 -2.398 374 HD13 LEU 43 HD13 LEU 43 0.358 -4.026 -1.209 375 HD21 LEU 43 HD21 LEU 43 4.261 -5.136 -2.459 376 HD22 LEU 43 HD22 LEU 43 3.007 -5.520 -3.632 377 HD23 LEU 43 HD23 LEU 43 3.022 -6.323 -2.064 378 H LEU 44 HN LEU 44 2.298 -0.073 -3.334 379 HA LEU 44 HA LEU 44 1.888 0.191 -6.139 380 HB2 LEU 44 HB2 LEU 44 1.868 2.241 -3.927 381 HB3 LEU 44 HB1 LEU 44 1.433 2.600 -5.594 382 HG LEU 44 HG LEU 44 0.093 0.470 -3.902 383 HD11 LEU 44 HD11 LEU 44 -1.846 2.170 -4.013 384 HD12 LEU 44 HD12 LEU 44 -0.614 3.351 -4.447 385 HD13 LEU 44 HD13 LEU 44 -0.528 2.516 -2.895 386 HD21 LEU 44 HD21 LEU 44 -0.228 1.415 -6.746 387 HD22 LEU 44 HD22 LEU 44 -1.698 0.986 -5.867 388 HD23 LEU 44 HD23 LEU 44 -0.412 -0.198 -6.064 389 H LEU 45 HN LEU 45 4.463 1.280 -3.965 390 HA LEU 45 HA LEU 45 5.764 2.937 -5.843 391 HB2 LEU 45 HB2 LEU 45 6.558 1.619 -3.279 392 HB3 LEU 45 HB1 LEU 45 7.856 2.208 -4.306 393 HG LEU 45 HG LEU 45 6.686 4.456 -4.335 394 HD11 LEU 45 HD11 LEU 45 4.954 4.950 -2.795 395 HD12 LEU 45 HD12 LEU 45 5.143 3.403 -1.967 396 HD13 LEU 45 HD13 LEU 45 4.446 3.458 -3.585 397 HD21 LEU 45 HD21 LEU 45 7.460 3.396 -1.605 398 HD22 LEU 45 HD22 LEU 45 7.521 5.080 -2.127 399 HD23 LEU 45 HD23 LEU 45 8.605 3.893 -2.850 400 H ILE 46 HN ILE 46 6.041 -0.512 -5.201 401 HA ILE 46 HA ILE 46 8.245 -1.024 -6.860 402 HB ILE 46 HB ILE 46 5.914 -2.746 -5.987 403 HG12 ILE 46 HG12 ILE 46 8.806 -2.734 -5.078 404 HG13 ILE 46 HG11 ILE 46 7.540 -1.818 -4.261 405 HG21 ILE 46 HG21 ILE 46 8.444 -3.414 -7.484 406 HG22 ILE 46 HG22 ILE 46 6.785 -3.755 -7.966 407 HG23 ILE 46 HG23 ILE 46 7.506 -4.623 -6.612 408 HD11 ILE 46 HD3 ILE 46 7.189 -4.773 -4.773 409 HD12 ILE 46 HD1 ILE 46 6.402 -3.760 -3.566 410 HD13 ILE 46 HD2 ILE 46 8.092 -4.206 -3.370 411 H ALA 47 HN ALA 47 4.792 -0.960 -7.391 412 HA ALA 47 HA ALA 47 4.659 -1.872 -10.034 413 HB1 ALA 47 HB1 ALA 47 2.699 -1.302 -8.512 414 HB2 ALA 47 HB2 ALA 47 2.533 -0.794 -10.194 415 HB3 ALA 47 HB3 ALA 47 2.964 0.385 -8.956 416 H ILE 48 HN ILE 48 5.155 1.418 -8.794 417 HA ILE 48 HA ILE 48 5.362 2.715 -11.293 418 HB ILE 48 HB ILE 48 6.437 3.431 -8.562 419 HG12 ILE 48 HG12 ILE 48 4.109 4.575 -10.141 420 HG13 ILE 48 HG11 ILE 48 3.935 3.284 -8.953 421 HG21 ILE 48 HG21 ILE 48 7.798 4.648 -10.103 422 HG22 ILE 48 HG22 ILE 48 6.546 5.778 -9.590 423 HG23 ILE 48 HG23 ILE 48 6.433 4.989 -11.160 424 HD11 ILE 48 HD3 ILE 48 5.164 5.983 -8.342 425 HD12 ILE 48 HD1 ILE 48 4.786 4.709 -7.184 426 HD13 ILE 48 HD2 ILE 48 3.483 5.565 -8.004 427 H ILE 49 HN ILE 49 7.849 1.314 -9.151 428 HA ILE 49 HA ILE 49 10.077 2.134 -10.670 429 HB ILE 49 HB ILE 49 9.705 -0.230 -8.859 430 HG12 ILE 49 HG12 ILE 49 9.490 1.951 -7.737 431 HG13 ILE 49 HG11 ILE 49 10.957 1.146 -7.223 432 HG21 ILE 49 HG21 ILE 49 12.180 0.821 -10.207 433 HG22 ILE 49 HG22 ILE 49 11.560 -0.827 -10.210 434 HG23 ILE 49 HG23 ILE 49 12.261 -0.147 -8.739 435 HD11 ILE 49 HD3 ILE 49 10.603 3.646 -8.780 436 HD12 ILE 49 HD1 ILE 49 11.931 2.616 -9.316 437 HD13 ILE 49 HD2 ILE 49 11.879 3.195 -7.657 438 H VAL 50 HN VAL 50 8.139 -0.800 -10.757 439 HA VAL 50 HA VAL 50 9.640 -2.168 -12.705 440 HB VAL 50 HB VAL 50 6.679 -2.278 -12.065 441 HG11 VAL 50 HG11 VAL 50 6.912 -3.130 -14.302 442 HG12 VAL 50 HG12 VAL 50 6.862 -4.543 -13.244 443 HG13 VAL 50 HG13 VAL 50 8.403 -3.979 -13.886 444 HG21 VAL 50 HG21 VAL 50 7.242 -4.191 -10.737 445 HG22 VAL 50 HG22 VAL 50 8.431 -2.960 -10.322 446 HG23 VAL 50 HG23 VAL 50 8.865 -4.271 -11.412 447 H MET 51 HN MET 51 6.975 0.143 -12.903 448 HA MET 51 HA MET 51 6.656 0.070 -15.701 449 HB2 MET 51 HB2 MET 51 5.926 2.054 -13.565 450 HB3 MET 51 HB1 MET 51 5.605 2.394 -15.264 451 HG2 MET 51 HG2 MET 51 4.642 -0.094 -13.816 452 HG3 MET 51 HG1 MET 51 3.666 1.350 -14.054 453 HE1 MET 51 HE1 MET 51 5.220 -1.744 -15.350 454 HE2 MET 51 HE2 MET 51 4.397 -2.068 -16.870 455 HE3 MET 51 HE3 MET 51 3.468 -2.020 -15.377 456 H LEU 52 HN LEU 52 8.896 1.849 -13.573 457 HA LEU 52 HA LEU 52 9.638 3.787 -15.481 458 HB2 LEU 52 HB2 LEU 52 11.055 2.636 -13.088 459 HB3 LEU 52 HB1 LEU 52 11.894 3.759 -14.153 460 HG LEU 52 HG LEU 52 9.245 4.323 -12.765 461 HD11 LEU 52 HD11 LEU 52 10.757 5.985 -11.486 462 HD12 LEU 52 HD12 LEU 52 12.103 5.007 -12.071 463 HD13 LEU 52 HD13 LEU 52 10.870 4.283 -11.046 464 HD21 LEU 52 HD21 LEU 52 9.185 5.848 -14.523 465 HD22 LEU 52 HD22 LEU 52 10.932 5.837 -14.750 466 HD23 LEU 52 HD23 LEU 52 10.216 6.781 -13.441 467 H LEU 53 HN LEU 53 10.802 0.489 -14.974 468 HA LEU 53 HA LEU 53 12.903 0.678 -16.868 469 HB2 LEU 53 HB2 LEU 53 11.414 -1.724 -15.791 470 HB3 LEU 53 HB1 LEU 53 12.897 -1.805 -16.735 471 HG LEU 53 HG LEU 53 12.631 -0.325 -14.102 472 HD11 LEU 53 HD11 LEU 53 12.373 -2.638 -13.584 473 HD12 LEU 53 HD12 LEU 53 14.071 -2.274 -13.278 474 HD13 LEU 53 HD13 LEU 53 13.604 -3.112 -14.757 475 HD21 LEU 53 HD21 LEU 53 15.262 -0.695 -14.312 476 HD22 LEU 53 HD22 LEU 53 14.494 0.637 -15.174 477 HD23 LEU 53 HD23 LEU 53 14.905 -0.842 -16.036 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -40.069 4.169 6.572 2 H2 ALA 1 HT2 ALA 1 -40.393 5.505 7.570 3 H3 ALA 1 HT3 ALA 1 -41.368 4.114 7.660 4 HA ALA 1 HA ALA 1 -39.036 3.001 8.183 5 HB1 ALA 1 HB1 ALA 1 -37.716 4.994 8.045 6 HB2 ALA 1 HB2 ALA 1 -37.875 4.634 9.762 7 HB3 ALA 1 HB3 ALA 1 -38.859 5.901 9.033 8 H MET 2 HN MET 2 -39.420 1.788 9.942 9 HA MET 2 HA MET 2 -41.680 2.524 11.709 10 HB2 MET 2 HB2 MET 2 -40.269 -0.096 11.166 11 HB3 MET 2 HB1 MET 2 -41.504 0.106 12.410 12 HG2 MET 2 HG2 MET 2 -43.132 0.817 10.736 13 HG3 MET 2 HG1 MET 2 -41.910 0.732 9.470 14 HE1 MET 2 HE1 MET 2 -42.517 -2.011 12.505 15 HE2 MET 2 HE2 MET 2 -43.978 -2.627 11.747 16 HE3 MET 2 HE3 MET 2 -43.866 -0.915 12.140 17 H GLU 3 HN GLU 3 -41.370 1.597 14.019 18 HA GLU 3 HA GLU 3 -39.306 3.071 15.264 19 HB2 GLU 3 HB2 GLU 3 -41.451 2.451 16.358 20 HB3 GLU 3 HB1 GLU 3 -40.903 0.773 16.423 21 HG2 GLU 3 HG2 GLU 3 -38.974 1.430 17.787 22 HG3 GLU 3 HG1 GLU 3 -39.464 3.120 17.697 23 H LYS 4 HN LYS 4 -39.612 -0.377 14.474 24 HA LYS 4 HA LYS 4 -37.265 -1.223 15.784 25 HB2 LYS 4 HB2 LYS 4 -37.488 -3.273 14.531 26 HB3 LYS 4 HB1 LYS 4 -39.107 -2.725 14.964 27 HG2 LYS 4 HG2 LYS 4 -39.283 -1.650 12.689 28 HG3 LYS 4 HG1 LYS 4 -37.738 -2.389 12.271 29 HD2 LYS 4 HD2 LYS 4 -38.673 -4.625 12.725 30 HD3 LYS 4 HD1 LYS 4 -40.228 -3.889 13.119 31 HE2 LYS 4 HE2 LYS 4 -40.377 -2.949 10.842 32 HE3 LYS 4 HE1 LYS 4 -38.821 -3.676 10.442 33 HZ1 LYS 4 HZ1 LYS 4 -39.738 -5.677 10.180 34 HZ2 LYS 4 HZ2 LYS 4 -41.222 -4.855 10.087 35 HZ3 LYS 4 HZ3 LYS 4 -40.708 -5.534 11.560 36 H VAL 5 HN VAL 5 -37.868 -0.077 12.520 37 HA VAL 5 HA VAL 5 -35.280 -0.561 11.487 38 HB VAL 5 HB VAL 5 -37.349 1.498 10.689 39 HG11 VAL 5 HG11 VAL 5 -36.039 1.384 8.482 40 HG12 VAL 5 HG12 VAL 5 -34.748 0.622 9.422 41 HG13 VAL 5 HG13 VAL 5 -35.271 2.260 9.810 42 HG21 VAL 5 HG21 VAL 5 -36.644 -1.269 9.659 43 HG22 VAL 5 HG22 VAL 5 -37.743 -0.157 8.842 44 HG23 VAL 5 HG23 VAL 5 -38.153 -0.787 10.434 45 H GLN 6 HN GLN 6 -36.728 2.274 13.013 46 HA GLN 6 HA GLN 6 -34.491 3.967 12.768 47 HB2 GLN 6 HB2 GLN 6 -36.816 3.979 14.675 48 HB3 GLN 6 HB1 GLN 6 -35.593 5.250 14.641 49 HG2 GLN 6 HG2 GLN 6 -36.087 5.660 12.260 50 HG3 GLN 6 HG1 GLN 6 -37.321 4.404 12.305 51 HE21 GLN 6 HE21 GLN 6 -37.790 5.533 15.259 52 HE22 GLN 6 HE22 GLN 6 -38.834 6.836 14.968 53 H TYR 7 HN TYR 7 -35.563 1.894 15.459 54 HA TYR 7 HA TYR 7 -33.504 2.573 17.241 55 HB2 TYR 7 HB2 TYR 7 -35.487 1.375 17.967 56 HB3 TYR 7 HB1 TYR 7 -35.048 -0.010 16.966 57 HD1 TYR 7 HD1 TYR 7 -33.922 2.082 19.834 58 HD2 TYR 7 HD2 TYR 7 -33.513 -1.654 17.758 59 HE1 TYR 7 HE1 TYR 7 -32.520 1.217 21.681 60 HE2 TYR 7 HE2 TYR 7 -32.110 -2.527 19.605 61 HH TYR 7 HH TYR 7 -30.530 -1.226 21.490 62 H LEU 8 HN LEU 8 -33.760 -0.259 15.084 63 HA LEU 8 HA LEU 8 -31.284 -1.400 15.582 64 HB2 LEU 8 HB2 LEU 8 -32.839 -1.223 12.995 65 HB3 LEU 8 HB1 LEU 8 -31.408 -2.224 13.187 66 HG LEU 8 HG LEU 8 -33.819 -2.449 15.011 67 HD11 LEU 8 HD11 LEU 8 -33.188 -3.897 12.430 68 HD12 LEU 8 HD12 LEU 8 -34.627 -2.947 12.800 69 HD13 LEU 8 HD13 LEU 8 -34.352 -4.489 13.610 70 HD21 LEU 8 HD21 LEU 8 -32.018 -3.546 16.072 71 HD22 LEU 8 HD22 LEU 8 -31.297 -4.073 14.558 72 HD23 LEU 8 HD23 LEU 8 -32.748 -4.864 15.166 73 H THR 9 HN THR 9 -32.070 1.383 13.545 74 HA THR 9 HA THR 9 -29.544 1.645 12.292 75 HB THR 9 HB THR 9 -31.382 3.929 13.048 76 HG1 THR 9 HG1 THR 9 -32.131 3.385 10.793 77 HG21 THR 9 HG21 THR 9 -29.725 3.614 10.553 78 HG22 THR 9 HG22 THR 9 -29.025 4.287 12.025 79 HG23 THR 9 HG23 THR 9 -30.392 5.089 11.253 80 H ARG 10 HN ARG 10 -30.841 3.016 15.311 81 HA ARG 10 HA ARG 10 -28.538 4.499 15.997 82 HB2 ARG 10 HB2 ARG 10 -30.771 3.341 17.672 83 HB3 ARG 10 HB1 ARG 10 -29.462 4.293 18.376 84 HG2 ARG 10 HG2 ARG 10 -30.024 6.181 16.892 85 HG3 ARG 10 HG1 ARG 10 -31.319 5.230 16.170 86 HD2 ARG 10 HD2 ARG 10 -31.177 5.818 19.125 87 HD3 ARG 10 HD1 ARG 10 -32.048 6.850 17.990 88 HE ARG 10 HE ARG 10 -32.899 4.207 17.599 89 HH11 ARG 10 HH21 ARG 10 -32.958 6.684 20.015 90 HH12 ARG 10 HH22 ARG 10 -34.447 6.140 20.718 91 HH21 ARG 10 HH11 ARG 10 -34.846 3.496 18.520 92 HH22 ARG 10 HH12 ARG 10 -35.514 4.341 19.876 93 H SER 11 HN SER 11 -29.552 1.204 16.765 94 HA SER 11 HA SER 11 -27.398 0.546 18.462 95 HB2 SER 11 HB2 SER 11 -27.952 -1.765 17.983 96 HB3 SER 11 HB1 SER 11 -29.426 -0.830 18.210 97 HG SER 11 HG1 SER 11 -28.191 -1.448 15.719 98 H ALA 12 HN ALA 12 -27.618 0.991 15.111 99 HA ALA 12 HA ALA 12 -25.282 -0.528 14.389 100 HB1 ALA 12 HB1 ALA 12 -25.634 0.162 12.177 101 HB2 ALA 12 HB2 ALA 12 -26.446 1.645 12.670 102 HB3 ALA 12 HB3 ALA 12 -27.264 0.092 12.846 103 H ILE 13 HN ILE 13 -25.992 2.808 15.144 104 HA ILE 13 HA ILE 13 -23.375 3.747 14.407 105 HB ILE 13 HB ILE 13 -25.656 5.101 14.565 106 HG12 ILE 13 HG12 ILE 13 -24.271 7.229 14.868 107 HG13 ILE 13 HG11 ILE 13 -22.903 6.201 15.258 108 HG21 ILE 13 HG21 ILE 13 -25.548 4.670 17.182 109 HG22 ILE 13 HG22 ILE 13 -26.131 6.205 16.566 110 HG23 ILE 13 HG23 ILE 13 -24.483 6.066 17.170 111 HD11 ILE 13 HD3 ILE 13 -22.621 5.519 13.079 112 HD12 ILE 13 HD1 ILE 13 -23.395 7.067 12.754 113 HD13 ILE 13 HD2 ILE 13 -24.344 5.578 12.704 114 H ARG 14 HN ARG 14 -24.804 2.591 17.371 115 HA ARG 14 HA ARG 14 -22.876 3.615 19.162 116 HB2 ARG 14 HB2 ARG 14 -24.677 1.194 19.285 117 HB3 ARG 14 HB1 ARG 14 -23.549 1.579 20.594 118 HG2 ARG 14 HG2 ARG 14 -24.559 3.845 20.776 119 HG3 ARG 14 HG1 ARG 14 -25.709 3.418 19.508 120 HD2 ARG 14 HD2 ARG 14 -25.457 1.766 22.019 121 HD3 ARG 14 HD1 ARG 14 -26.482 3.190 21.966 122 HE ARG 14 HE ARG 14 -26.956 0.641 20.612 123 HH11 ARG 14 HH21 ARG 14 -27.729 4.001 20.938 124 HH12 ARG 14 HH22 ARG 14 -29.304 3.842 20.240 125 HH21 ARG 14 HH11 ARG 14 -29.023 0.436 19.696 126 HH22 ARG 14 HH12 ARG 14 -30.037 1.834 19.539 127 H ARG 15 HN ARG 15 -23.008 0.592 17.418 128 HA ARG 15 HA ARG 15 -20.724 -0.705 18.293 129 HB2 ARG 15 HB2 ARG 15 -21.782 -0.547 15.453 130 HB3 ARG 15 HB1 ARG 15 -20.697 -1.788 16.084 131 HG2 ARG 15 HG2 ARG 15 -22.353 -2.536 17.662 132 HG3 ARG 15 HG1 ARG 15 -23.403 -1.187 17.251 133 HD2 ARG 15 HD2 ARG 15 -24.235 -3.145 16.095 134 HD3 ARG 15 HD1 ARG 15 -23.540 -2.045 14.909 135 HE ARG 15 HE ARG 15 -21.548 -3.864 15.754 136 HH11 ARG 15 HH21 ARG 15 -24.528 -3.718 14.001 137 HH12 ARG 15 HH22 ARG 15 -24.139 -5.042 12.952 138 HH21 ARG 15 HH11 ARG 15 -21.027 -5.609 14.384 139 HH22 ARG 15 HH12 ARG 15 -22.162 -6.115 13.171 140 H ALA 16 HN ALA 16 -21.049 2.204 16.508 141 HA ALA 16 HA ALA 16 -18.223 2.229 15.718 142 HB1 ALA 16 HB1 ALA 16 -18.792 4.134 14.335 143 HB2 ALA 16 HB2 ALA 16 -20.414 4.193 15.021 144 HB3 ALA 16 HB3 ALA 16 -19.936 2.838 13.999 145 H SER 17 HN SER 17 -20.591 3.603 17.808 146 HA SER 17 HA SER 17 -18.949 5.831 18.628 147 HB2 SER 17 HB2 SER 17 -21.144 4.657 20.341 148 HB3 SER 17 HB1 SER 17 -20.615 6.329 20.211 149 HG SER 17 HG1 SER 17 -22.243 6.407 18.852 150 H THR 18 HN THR 18 -20.117 3.222 20.773 151 HA THR 18 HA THR 18 -17.958 3.418 22.526 152 HB THR 18 HB THR 18 -19.787 2.417 23.548 153 HG1 THR 18 HG1 THR 18 -17.717 0.869 23.123 154 HG21 THR 18 HG21 THR 18 -21.016 0.497 22.376 155 HG22 THR 18 HG22 THR 18 -20.135 0.961 20.924 156 HG23 THR 18 HG23 THR 18 -21.243 2.105 21.688 157 H ILE 19 HN ILE 19 -18.442 1.607 19.634 158 HA ILE 19 HA ILE 19 -17.163 -0.419 19.014 159 HB ILE 19 HB ILE 19 -17.106 1.701 17.636 160 HG12 ILE 19 HG12 ILE 19 -16.470 -0.471 16.699 161 HG13 ILE 19 HG11 ILE 19 -15.422 0.788 16.065 162 HG21 ILE 19 HG21 ILE 19 -14.211 1.874 18.366 163 HG22 ILE 19 HG22 ILE 19 -15.436 2.797 19.228 164 HG23 ILE 19 HG23 ILE 19 -15.210 3.036 17.505 165 HD11 ILE 19 HD3 ILE 19 -13.904 -0.911 16.609 166 HD12 ILE 19 HD1 ILE 19 -14.789 -1.375 18.060 167 HD13 ILE 19 HD2 ILE 19 -13.835 0.109 18.046 168 H GLU 20 HN GLU 20 -15.989 -1.821 20.065 169 HA GLU 20 HA GLU 20 -14.591 -2.340 22.014 170 HB2 GLU 20 HB2 GLU 20 -13.972 -3.627 20.082 171 HB3 GLU 20 HB1 GLU 20 -13.066 -2.279 19.402 172 HG2 GLU 20 HG2 GLU 20 -11.369 -2.428 21.109 173 HG3 GLU 20 HG1 GLU 20 -12.346 -3.543 22.071 174 H MET 21 HN MET 21 -14.236 -0.695 23.499 175 HA MET 21 HA MET 21 -11.825 0.953 23.068 176 HB2 MET 21 HB2 MET 21 -12.836 2.694 24.374 177 HB3 MET 21 HB1 MET 21 -13.799 2.345 22.937 178 HG2 MET 21 HG2 MET 21 -15.141 0.754 24.470 179 HG3 MET 21 HG1 MET 21 -14.373 1.614 25.803 180 HE1 MET 21 HE1 MET 21 -17.886 3.137 25.901 181 HE2 MET 21 HE2 MET 21 -16.646 2.174 26.694 182 HE3 MET 21 HE3 MET 21 -17.545 1.485 25.350 183 HA PRO 22 HA PRO 22 -12.148 -1.585 27.215 184 HB2 PRO 22 HB2 PRO 22 -9.622 -2.829 26.295 185 HB3 PRO 22 HB1 PRO 22 -11.066 -3.602 26.974 186 HG2 PRO 22 HG2 PRO 22 -10.296 -3.555 24.241 187 HG3 PRO 22 HG1 PRO 22 -11.832 -4.148 24.904 188 HD2 PRO 22 HD2 PRO 22 -11.444 -1.779 23.317 189 HD3 PRO 22 HD1 PRO 22 -12.952 -2.345 24.058 190 H GLN 23 HN GLN 23 -9.003 -1.003 25.651 191 HA GLN 23 HA GLN 23 -8.442 1.395 27.158 192 HB2 GLN 23 HB2 GLN 23 -6.947 -1.156 27.806 193 HB3 GLN 23 HB1 GLN 23 -6.413 0.447 28.284 194 HG2 GLN 23 HG2 GLN 23 -8.912 -1.003 29.210 195 HG3 GLN 23 HG1 GLN 23 -7.495 -0.611 30.155 196 HE21 GLN 23 HE21 GLN 23 -10.459 0.334 30.321 197 HE22 GLN 23 HE22 GLN 23 -10.323 2.021 30.446 198 H GLN 24 HN GLN 24 -7.221 -1.253 25.066 199 HA GLN 24 HA GLN 24 -5.051 0.505 24.065 200 HB2 GLN 24 HB2 GLN 24 -5.546 -2.462 23.756 201 HB3 GLN 24 HB1 GLN 24 -4.219 -1.581 23.000 202 HG2 GLN 24 HG2 GLN 24 -3.402 -0.862 25.198 203 HG3 GLN 24 HG1 GLN 24 -4.740 -1.702 25.981 204 HE21 GLN 24 HE21 GLN 24 -3.777 -3.486 26.995 205 HE22 GLN 24 HE22 GLN 24 -2.740 -4.581 26.215 206 H ALA 25 HN ALA 25 -8.118 0.119 23.319 207 HA ALA 25 HA ALA 25 -8.194 -0.569 20.597 208 HB1 ALA 25 HB1 ALA 25 -9.889 1.488 21.967 209 HB2 ALA 25 HB2 ALA 25 -10.176 -0.255 22.006 210 HB3 ALA 25 HB3 ALA 25 -10.266 0.625 20.476 211 H ARG 26 HN ARG 26 -7.534 2.466 22.215 212 HA ARG 26 HA ARG 26 -7.562 4.222 20.074 213 HB2 ARG 26 HB2 ARG 26 -5.758 4.136 22.491 214 HB3 ARG 26 HB1 ARG 26 -5.761 5.476 21.345 215 HG2 ARG 26 HG2 ARG 26 -8.180 5.809 21.738 216 HG3 ARG 26 HG1 ARG 26 -8.170 4.483 22.904 217 HD2 ARG 26 HD2 ARG 26 -6.543 5.715 24.290 218 HD3 ARG 26 HD1 ARG 26 -6.545 7.034 23.125 219 HE ARG 26 HE ARG 26 -9.193 6.428 24.081 220 HH11 ARG 26 HH21 ARG 26 -6.213 8.045 24.770 221 HH12 ARG 26 HH22 ARG 26 -6.933 9.229 25.810 222 HH21 ARG 26 HH11 ARG 26 -10.148 7.988 25.448 223 HH22 ARG 26 HH12 ARG 26 -9.161 9.196 26.199 224 H GLN 27 HN GLN 27 -4.591 2.602 21.279 225 HA GLN 27 HA GLN 27 -3.212 3.214 18.805 226 HB2 GLN 27 HB2 GLN 27 -2.378 1.766 21.317 227 HB3 GLN 27 HB1 GLN 27 -1.316 2.017 19.928 228 HG2 GLN 27 HG2 GLN 27 -1.620 4.448 20.109 229 HG3 GLN 27 HG1 GLN 27 -2.700 4.219 21.487 230 HE21 GLN 27 HE21 GLN 27 0.511 4.851 20.683 231 HE22 GLN 27 HE22 GLN 27 1.235 4.372 22.140 232 H ASN 28 HN ASN 28 -4.799 0.425 20.237 233 HA ASN 28 HA ASN 28 -3.562 -1.522 18.558 234 HB2 ASN 28 HB2 ASN 28 -4.764 -2.149 20.628 235 HB3 ASN 28 HB1 ASN 28 -6.281 -1.675 19.861 236 HD21 ASN 28 HD21 ASN 28 -7.148 -3.850 19.857 237 HD22 ASN 28 HD22 ASN 28 -6.513 -5.060 18.852 238 H LEU 29 HN LEU 29 -6.534 0.374 18.258 239 HA LEU 29 HA LEU 29 -7.358 -0.854 15.821 240 HB2 LEU 29 HB2 LEU 29 -8.093 1.831 17.018 241 HB3 LEU 29 HB1 LEU 29 -8.834 1.155 15.576 242 HG LEU 29 HG LEU 29 -8.833 -0.245 18.274 243 HD11 LEU 29 HD11 LEU 29 -10.907 1.533 16.947 244 HD12 LEU 29 HD12 LEU 29 -10.090 1.827 18.481 245 HD13 LEU 29 HD13 LEU 29 -11.243 0.502 18.337 246 HD21 LEU 29 HD21 LEU 29 -10.149 -0.760 15.586 247 HD22 LEU 29 HD22 LEU 29 -10.889 -1.370 17.065 248 HD23 LEU 29 HD23 LEU 29 -9.270 -1.891 16.609 249 H GLN 30 HN GLN 30 -5.470 2.094 16.647 250 HA GLN 30 HA GLN 30 -5.255 2.899 13.951 251 HB2 GLN 30 HB2 GLN 30 -3.716 3.623 16.437 252 HB3 GLN 30 HB1 GLN 30 -3.441 4.384 14.869 253 HG2 GLN 30 HG2 GLN 30 -5.767 5.132 14.787 254 HG3 GLN 30 HG1 GLN 30 -6.101 4.314 16.314 255 HE21 GLN 30 HE21 GLN 30 -6.706 6.830 16.664 256 HE22 GLN 30 HE22 GLN 30 -5.464 7.752 17.369 257 H ASN 31 HN ASN 31 -3.395 0.805 16.053 258 HA ASN 31 HA ASN 31 -1.015 0.728 14.574 259 HB2 ASN 31 HB2 ASN 31 -1.110 -0.213 16.799 260 HB3 ASN 31 HB1 ASN 31 -2.303 -1.409 16.280 261 HD21 ASN 31 HD21 ASN 31 -1.267 -3.401 16.138 262 HD22 ASN 31 HD22 ASN 31 0.271 -3.650 15.458 263 H LEU 32 HN LEU 32 -3.942 -1.199 14.324 264 HA LEU 32 HA LEU 32 -3.033 -2.899 12.284 265 HB2 LEU 32 HB2 LEU 32 -5.784 -2.083 13.198 266 HB3 LEU 32 HB1 LEU 32 -5.548 -3.187 11.849 267 HG LEU 32 HG LEU 32 -4.326 -3.628 14.587 268 HD11 LEU 32 HD11 LEU 32 -6.940 -4.659 13.462 269 HD12 LEU 32 HD12 LEU 32 -6.741 -3.592 14.856 270 HD13 LEU 32 HD13 LEU 32 -6.180 -5.263 14.929 271 HD21 LEU 32 HD21 LEU 32 -4.499 -6.104 13.576 272 HD22 LEU 32 HD22 LEU 32 -3.160 -5.060 13.136 273 HD23 LEU 32 HD23 LEU 32 -4.514 -5.248 12.033 274 H PHE 33 HN PHE 33 -4.807 0.151 12.268 275 HA PHE 33 HA PHE 33 -5.173 0.323 9.477 276 HB2 PHE 33 HB2 PHE 33 -6.363 1.731 11.149 277 HB3 PHE 33 HB1 PHE 33 -4.855 2.595 11.454 278 HD1 PHE 33 HD1 PHE 33 -7.224 1.667 8.707 279 HD2 PHE 33 HD2 PHE 33 -4.214 4.406 10.081 280 HE1 PHE 33 HE1 PHE 33 -7.654 3.124 6.750 281 HE2 PHE 33 HE2 PHE 33 -4.644 5.864 8.126 282 HZ PHE 33 HZ PHE 33 -6.361 5.230 6.459 283 H ILE 34 HN ILE 34 -2.676 1.708 11.578 284 HA ILE 34 HA ILE 34 -1.142 2.869 9.488 285 HB ILE 34 HB ILE 34 -0.361 1.978 12.275 286 HG12 ILE 34 HG12 ILE 34 -1.976 3.833 12.183 287 HG13 ILE 34 HG11 ILE 34 -0.426 4.397 12.784 288 HG21 ILE 34 HG21 ILE 34 1.253 3.379 10.141 289 HG22 ILE 34 HG22 ILE 34 1.704 1.979 11.116 290 HG23 ILE 34 HG23 ILE 34 1.627 3.582 11.854 291 HD11 ILE 34 HD3 ILE 34 -1.811 4.996 10.195 292 HD12 ILE 34 HD1 ILE 34 -0.048 4.982 10.191 293 HD13 ILE 34 HD2 ILE 34 -0.917 6.071 11.261 294 H ASN 35 HN ASN 35 -0.856 -0.269 11.177 295 HA ASN 35 HA ASN 35 1.396 -1.150 9.704 296 HB2 ASN 35 HB2 ASN 35 -0.748 -2.629 11.232 297 HB3 ASN 35 HB1 ASN 35 0.563 -3.468 10.415 298 HD21 ASN 35 HD21 ASN 35 0.249 -3.541 13.276 299 HD22 ASN 35 HD22 ASN 35 1.574 -2.726 13.959 300 H PHE 36 HN PHE 36 -2.069 -1.435 9.324 301 HA PHE 36 HA PHE 36 -1.960 -3.095 7.024 302 HB2 PHE 36 HB2 PHE 36 -3.983 -3.025 8.362 303 HB3 PHE 36 HB1 PHE 36 -4.191 -1.309 7.979 304 HD1 PHE 36 HD2 PHE 36 -4.044 -4.719 6.508 305 HD2 PHE 36 HD1 PHE 36 -5.207 -0.622 5.932 306 HE1 PHE 36 HE2 PHE 36 -5.237 -5.355 4.428 307 HE2 PHE 36 HE1 PHE 36 -6.400 -1.255 3.853 308 HZ PHE 36 HZ PHE 36 -6.415 -3.618 3.105 309 H ALA 37 HN ALA 37 -1.844 0.434 7.419 310 HA ALA 37 HA ALA 37 -2.329 0.927 4.641 311 HB1 ALA 37 HB1 ALA 37 -1.238 2.711 6.819 312 HB2 ALA 37 HB2 ALA 37 -2.932 2.574 6.355 313 HB3 ALA 37 HB3 ALA 37 -1.758 3.238 5.221 314 H LEU 38 HN LEU 38 0.480 0.737 6.799 315 HA LEU 38 HA LEU 38 2.396 1.653 4.952 316 HB2 LEU 38 HB2 LEU 38 2.628 -0.146 7.354 317 HB3 LEU 38 HB1 LEU 38 4.023 0.356 6.414 318 HG LEU 38 HG LEU 38 2.048 2.311 7.635 319 HD11 LEU 38 HD11 LEU 38 4.741 1.419 8.701 320 HD12 LEU 38 HD12 LEU 38 3.181 0.969 9.388 321 HD13 LEU 38 HD13 LEU 38 3.706 2.653 9.418 322 HD21 LEU 38 HD21 LEU 38 3.200 3.547 6.016 323 HD22 LEU 38 HD22 LEU 38 4.653 2.563 6.126 324 HD23 LEU 38 HD23 LEU 38 4.303 3.754 7.372 325 H ILE 39 HN ILE 39 1.190 -1.658 5.550 326 HA ILE 39 HA ILE 39 3.077 -2.812 3.742 327 HB ILE 39 HB ILE 39 1.871 -4.167 5.443 328 HG12 ILE 39 HG12 ILE 39 1.230 -5.071 2.625 329 HG13 ILE 39 HG11 ILE 39 2.837 -5.150 3.339 330 HG21 ILE 39 HG21 ILE 39 -0.540 -3.823 3.638 331 HG22 ILE 39 HG22 ILE 39 -0.320 -3.017 5.188 332 HG23 ILE 39 HG23 ILE 39 -0.448 -4.768 5.126 333 HD11 ILE 39 HD3 ILE 39 1.745 -7.304 3.615 334 HD12 ILE 39 HD1 ILE 39 0.354 -6.531 4.376 335 HD13 ILE 39 HD2 ILE 39 1.916 -6.529 5.191 336 H LEU 40 HN LEU 40 -0.232 -1.604 3.439 337 HA LEU 40 HA LEU 40 -0.575 -2.317 0.714 338 HB2 LEU 40 HB2 LEU 40 -2.484 -1.723 2.113 339 HB3 LEU 40 HB1 LEU 40 -1.849 -0.094 2.333 340 HG LEU 40 HG LEU 40 -2.109 0.366 -0.064 341 HD11 LEU 40 HD11 LEU 40 -3.468 -1.440 -1.382 342 HD12 LEU 40 HD12 LEU 40 -2.868 -2.556 -0.156 343 HD13 LEU 40 HD13 LEU 40 -1.734 -1.677 -1.182 344 HD21 LEU 40 HD21 LEU 40 -4.638 0.069 -0.184 345 HD22 LEU 40 HD22 LEU 40 -4.038 0.889 1.257 346 HD23 LEU 40 HD23 LEU 40 -4.520 -0.805 1.343 347 H ILE 41 HN ILE 41 0.421 0.693 2.265 348 HA ILE 41 HA ILE 41 0.885 2.194 -0.069 349 HB ILE 41 HB ILE 41 1.981 2.421 2.734 350 HG12 ILE 41 HG12 ILE 41 0.038 4.200 1.241 351 HG13 ILE 41 HG11 ILE 41 -0.495 2.817 2.190 352 HG21 ILE 41 HG21 ILE 41 3.624 3.482 1.383 353 HG22 ILE 41 HG22 ILE 41 2.582 4.771 1.982 354 HG23 ILE 41 HG23 ILE 41 2.399 4.186 0.328 355 HD11 ILE 41 HD3 ILE 41 1.213 5.068 3.282 356 HD12 ILE 41 HD1 ILE 41 0.496 3.748 4.206 357 HD13 ILE 41 HD2 ILE 41 -0.537 4.973 3.469 358 H PHE 42 HN PHE 42 3.152 0.230 1.904 359 HA PHE 42 HA PHE 42 5.460 0.801 0.450 360 HB2 PHE 42 HB2 PHE 42 5.486 -0.423 2.581 361 HB3 PHE 42 HB1 PHE 42 4.689 -1.800 1.808 362 HD1 PHE 42 HD2 PHE 42 7.681 0.430 1.327 363 HD2 PHE 42 HD1 PHE 42 6.039 -3.527 0.975 364 HE1 PHE 42 HE2 PHE 42 9.889 -0.425 0.588 365 HE2 PHE 42 HE1 PHE 42 8.245 -4.377 0.239 366 HZ PHE 42 HZ PHE 42 10.176 -2.826 0.044 367 H LEU 43 HN LEU 43 2.967 -1.635 -0.063 368 HA LEU 43 HA LEU 43 4.121 -2.963 -2.264 369 HB2 LEU 43 HB2 LEU 43 1.288 -2.632 -1.309 370 HB3 LEU 43 HB1 LEU 43 1.665 -3.563 -2.749 371 HG LEU 43 HG LEU 43 2.970 -4.076 -0.064 372 HD11 LEU 43 HD11 LEU 43 0.541 -5.438 -1.274 373 HD12 LEU 43 HD12 LEU 43 0.524 -4.361 0.120 374 HD13 LEU 43 HD13 LEU 43 1.349 -5.917 0.219 375 HD21 LEU 43 HD21 LEU 43 3.120 -6.449 -1.267 376 HD22 LEU 43 HD22 LEU 43 4.285 -5.195 -1.657 377 HD23 LEU 43 HD23 LEU 43 2.932 -5.492 -2.738 378 H LEU 44 HN LEU 44 2.061 -0.106 -2.045 379 HA LEU 44 HA LEU 44 1.581 0.194 -4.811 380 HB2 LEU 44 HB2 LEU 44 1.400 1.923 -2.381 381 HB3 LEU 44 HB1 LEU 44 1.327 2.722 -3.941 382 HG LEU 44 HG LEU 44 -0.884 1.879 -2.669 383 HD11 LEU 44 HD11 LEU 44 -2.050 1.810 -4.821 384 HD12 LEU 44 HD12 LEU 44 -0.513 1.586 -5.657 385 HD13 LEU 44 HD13 LEU 44 -0.839 3.093 -4.801 386 HD21 LEU 44 HD21 LEU 44 -1.647 -0.271 -3.122 387 HD22 LEU 44 HD22 LEU 44 0.051 -0.598 -2.875 388 HD23 LEU 44 HD23 LEU 44 -0.594 -0.514 -4.508 389 H LEU 45 HN LEU 45 4.181 1.305 -2.666 390 HA LEU 45 HA LEU 45 5.434 3.013 -4.528 391 HB2 LEU 45 HB2 LEU 45 6.289 1.655 -1.994 392 HB3 LEU 45 HB1 LEU 45 7.544 2.346 -3.014 393 HG LEU 45 HG LEU 45 6.213 4.535 -2.969 394 HD11 LEU 45 HD11 LEU 45 4.869 3.239 -0.586 395 HD12 LEU 45 HD12 LEU 45 4.083 3.402 -2.154 396 HD13 LEU 45 HD13 LEU 45 4.557 4.838 -1.252 397 HD21 LEU 45 HD21 LEU 45 7.239 3.424 -0.332 398 HD22 LEU 45 HD22 LEU 45 7.081 5.135 -0.740 399 HD23 LEU 45 HD23 LEU 45 8.243 4.127 -1.601 400 H ILE 46 HN ILE 46 5.779 -0.426 -3.892 401 HA ILE 46 HA ILE 46 7.990 -0.879 -5.573 402 HB ILE 46 HB ILE 46 5.740 -2.683 -4.652 403 HG12 ILE 46 HG12 ILE 46 8.652 -2.594 -3.824 404 HG13 ILE 46 HG11 ILE 46 7.392 -1.699 -2.985 405 HG21 ILE 46 HG21 ILE 46 7.378 -4.508 -5.324 406 HG22 ILE 46 HG22 ILE 46 8.230 -3.266 -6.245 407 HG23 ILE 46 HG23 ILE 46 6.561 -3.673 -6.643 408 HD11 ILE 46 HD3 ILE 46 7.046 -4.653 -3.457 409 HD12 ILE 46 HD1 ILE 46 6.349 -3.634 -2.200 410 HD13 ILE 46 HD2 ILE 46 8.047 -4.088 -2.123 411 H ALA 47 HN ALA 47 4.527 -0.943 -6.073 412 HA ALA 47 HA ALA 47 4.411 -1.877 -8.709 413 HB1 ALA 47 HB1 ALA 47 2.478 -1.384 -7.130 414 HB2 ALA 47 HB2 ALA 47 2.224 -0.936 -8.817 415 HB3 ALA 47 HB3 ALA 47 2.629 0.301 -7.623 416 H ILE 48 HN ILE 48 4.697 1.453 -7.512 417 HA ILE 48 HA ILE 48 4.833 2.723 -10.036 418 HB ILE 48 HB ILE 48 5.929 3.531 -7.338 419 HG12 ILE 48 HG12 ILE 48 3.488 3.315 -7.397 420 HG13 ILE 48 HG11 ILE 48 3.944 5.005 -7.271 421 HG21 ILE 48 HG21 ILE 48 7.169 4.816 -8.896 422 HG22 ILE 48 HG22 ILE 48 5.856 5.866 -8.371 423 HG23 ILE 48 HG23 ILE 48 5.767 5.058 -9.937 424 HD11 ILE 48 HD3 ILE 48 3.751 4.825 -9.970 425 HD12 ILE 48 HD1 ILE 48 2.371 5.199 -8.938 426 HD13 ILE 48 HD2 ILE 48 2.619 3.556 -9.515 427 H ILE 49 HN ILE 49 7.384 1.520 -7.866 428 HA ILE 49 HA ILE 49 9.564 2.389 -9.443 429 HB ILE 49 HB ILE 49 9.317 0.156 -7.437 430 HG12 ILE 49 HG12 ILE 49 10.662 2.857 -7.196 431 HG13 ILE 49 HG11 ILE 49 8.993 2.573 -6.707 432 HG21 ILE 49 HG21 ILE 49 11.865 0.392 -7.359 433 HG22 ILE 49 HG22 ILE 49 11.729 1.266 -8.889 434 HG23 ILE 49 HG23 ILE 49 11.204 -0.413 -8.783 435 HD11 ILE 49 HD3 ILE 49 9.687 0.907 -5.090 436 HD12 ILE 49 HD1 ILE 49 10.630 2.370 -4.812 437 HD13 ILE 49 HD2 ILE 49 11.358 1.000 -5.651 438 H VAL 50 HN VAL 50 7.819 -0.684 -9.290 439 HA VAL 50 HA VAL 50 9.412 -2.053 -11.181 440 HB VAL 50 HB VAL 50 6.525 -2.450 -10.353 441 HG11 VAL 50 HG11 VAL 50 6.903 -4.758 -11.382 442 HG12 VAL 50 HG12 VAL 50 8.322 -4.070 -12.171 443 HG13 VAL 50 HG13 VAL 50 6.716 -3.433 -12.532 444 HG21 VAL 50 HG21 VAL 50 8.477 -2.802 -8.704 445 HG22 VAL 50 HG22 VAL 50 8.950 -4.155 -9.725 446 HG23 VAL 50 HG23 VAL 50 7.378 -4.162 -8.926 447 H MET 51 HN MET 51 6.441 -0.156 -11.467 448 HA MET 51 HA MET 51 6.211 -0.470 -14.288 449 HB2 MET 51 HB2 MET 51 4.941 1.403 -12.302 450 HB3 MET 51 HB1 MET 51 4.665 1.586 -14.031 451 HG2 MET 51 HG2 MET 51 3.906 -0.807 -14.115 452 HG3 MET 51 HG1 MET 51 4.048 -0.870 -12.358 453 HE1 MET 51 HE1 MET 51 2.925 1.947 -11.250 454 HE2 MET 51 HE2 MET 51 2.820 0.272 -10.732 455 HE3 MET 51 HE3 MET 51 1.346 1.211 -10.925 456 H LEU 52 HN LEU 52 8.036 1.716 -12.212 457 HA LEU 52 HA LEU 52 8.400 3.808 -14.045 458 HB2 LEU 52 HB2 LEU 52 9.020 3.952 -11.673 459 HB3 LEU 52 HB1 LEU 52 10.329 2.807 -11.938 460 HG LEU 52 HG LEU 52 11.360 4.392 -13.557 461 HD11 LEU 52 HD11 LEU 52 8.881 5.977 -12.894 462 HD12 LEU 52 HD12 LEU 52 9.650 5.720 -14.462 463 HD13 LEU 52 HD13 LEU 52 10.368 6.834 -13.304 464 HD21 LEU 52 HD21 LEU 52 11.944 6.137 -11.816 465 HD22 LEU 52 HD22 LEU 52 12.120 4.470 -11.268 466 HD23 LEU 52 HD23 LEU 52 10.714 5.417 -10.777 467 H LEU 53 HN LEU 53 10.179 0.768 -13.662 468 HA LEU 53 HA LEU 53 12.063 1.442 -15.743 469 HB2 LEU 53 HB2 LEU 53 11.567 -0.988 -14.029 470 HB3 LEU 53 HB1 LEU 53 12.661 -1.074 -15.406 471 HG LEU 53 HG LEU 53 13.744 -0.559 -13.171 472 HD11 LEU 53 HD11 LEU 53 15.389 0.792 -14.115 473 HD12 LEU 53 HD12 LEU 53 14.247 1.762 -15.034 474 HD13 LEU 53 HD13 LEU 53 14.630 0.125 -15.553 475 HD21 LEU 53 HD21 LEU 53 12.581 2.212 -13.560 476 HD22 LEU 53 HD22 LEU 53 13.473 1.595 -12.170 477 HD23 LEU 53 HD23 LEU 53 11.839 1.015 -12.495 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -15.844 34.611 15.422 2 H2 ALA 1 HT2 ALA 1 -16.398 35.785 14.323 3 H3 ALA 1 HT3 ALA 1 -14.794 35.222 14.240 4 HA ALA 1 HA ALA 1 -16.824 33.165 14.034 5 HB1 ALA 1 HB1 ALA 1 -17.792 35.116 12.738 6 HB2 ALA 1 HB2 ALA 1 -17.439 33.695 11.755 7 HB3 ALA 1 HB3 ALA 1 -16.346 35.075 11.730 8 H MET 2 HN MET 2 -13.764 34.527 13.802 9 HA MET 2 HA MET 2 -12.702 32.510 11.928 10 HB2 MET 2 HB2 MET 2 -11.423 34.903 13.269 11 HB3 MET 2 HB1 MET 2 -10.569 33.785 12.214 12 HG2 MET 2 HG2 MET 2 -13.021 35.364 11.394 13 HG3 MET 2 HG1 MET 2 -11.364 35.843 11.031 14 HE1 MET 2 HE1 MET 2 -9.878 32.951 10.122 15 HE2 MET 2 HE2 MET 2 -9.756 34.678 9.801 16 HE3 MET 2 HE3 MET 2 -10.038 33.567 8.466 17 H GLU 3 HN GLU 3 -13.198 32.962 15.265 18 HA GLU 3 HA GLU 3 -10.923 31.256 16.063 19 HB2 GLU 3 HB2 GLU 3 -11.488 33.320 17.373 20 HB3 GLU 3 HB1 GLU 3 -13.022 32.565 17.808 21 HG2 GLU 3 HG2 GLU 3 -11.836 30.685 18.844 22 HG3 GLU 3 HG1 GLU 3 -10.289 31.384 18.368 23 H LYS 4 HN LYS 4 -14.428 31.283 15.853 24 HA LYS 4 HA LYS 4 -14.941 28.898 17.275 25 HB2 LYS 4 HB2 LYS 4 -16.481 30.254 15.061 26 HB3 LYS 4 HB1 LYS 4 -17.084 28.881 15.983 27 HG2 LYS 4 HG2 LYS 4 -16.852 30.166 18.071 28 HG3 LYS 4 HG1 LYS 4 -16.258 31.552 17.155 29 HD2 LYS 4 HD2 LYS 4 -18.385 31.615 15.883 30 HD3 LYS 4 HD1 LYS 4 -18.984 30.262 16.850 31 HE2 LYS 4 HE2 LYS 4 -18.736 31.608 18.906 32 HE3 LYS 4 HE1 LYS 4 -18.142 32.966 17.943 33 HZ1 LYS 4 HZ1 LYS 4 -20.843 31.750 17.911 34 HZ2 LYS 4 HZ2 LYS 4 -20.293 32.775 16.672 35 HZ3 LYS 4 HZ3 LYS 4 -20.419 33.350 18.264 36 H VAL 5 HN VAL 5 -14.243 29.559 13.904 37 HA VAL 5 HA VAL 5 -14.679 26.961 12.904 38 HB VAL 5 HB VAL 5 -14.487 28.957 11.460 39 HG11 VAL 5 HG11 VAL 5 -12.422 30.062 11.084 40 HG12 VAL 5 HG12 VAL 5 -11.507 28.805 11.918 41 HG13 VAL 5 HG13 VAL 5 -12.544 29.896 12.835 42 HG21 VAL 5 HG21 VAL 5 -12.386 26.832 10.896 43 HG22 VAL 5 HG22 VAL 5 -13.110 27.911 9.707 44 HG23 VAL 5 HG23 VAL 5 -14.103 26.697 10.512 45 H GLN 6 HN GLN 6 -11.815 28.523 14.243 46 HA GLN 6 HA GLN 6 -10.012 26.401 13.726 47 HB2 GLN 6 HB2 GLN 6 -9.943 28.633 15.749 48 HB3 GLN 6 HB1 GLN 6 -8.628 27.478 15.541 49 HG2 GLN 6 HG2 GLN 6 -8.422 28.120 13.183 50 HG3 GLN 6 HG1 GLN 6 -9.746 29.269 13.375 51 HE21 GLN 6 HE21 GLN 6 -7.625 30.606 12.570 52 HE22 GLN 6 HE22 GLN 6 -6.771 31.348 13.839 53 H TYR 7 HN TYR 7 -11.951 27.231 16.554 54 HA TYR 7 HA TYR 7 -10.995 25.216 18.265 55 HB2 TYR 7 HB2 TYR 7 -12.314 27.057 19.120 56 HB3 TYR 7 HB1 TYR 7 -13.700 26.555 18.157 57 HD1 TYR 7 HD2 TYR 7 -11.505 25.596 20.997 58 HD2 TYR 7 HD1 TYR 7 -15.128 24.770 18.853 59 HE1 TYR 7 HE2 TYR 7 -12.231 24.069 22.813 60 HE2 TYR 7 HE1 TYR 7 -15.857 23.245 20.666 61 HH TYR 7 HH TYR 7 -14.595 23.222 23.671 62 H LEU 8 HN LEU 8 -13.881 25.238 16.186 63 HA LEU 8 HA LEU 8 -14.786 22.655 16.721 64 HB2 LEU 8 HB2 LEU 8 -14.930 24.255 14.165 65 HB3 LEU 8 HB1 LEU 8 -15.803 22.749 14.418 66 HG LEU 8 HG LEU 8 -16.056 25.159 16.238 67 HD11 LEU 8 HD11 LEU 8 -18.147 25.655 15.073 68 HD12 LEU 8 HD12 LEU 8 -17.895 24.287 13.995 69 HD13 LEU 8 HD13 LEU 8 -16.806 25.675 13.927 70 HD21 LEU 8 HD21 LEU 8 -16.870 23.326 17.465 71 HD22 LEU 8 HD22 LEU 8 -17.449 22.479 16.036 72 HD23 LEU 8 HD23 LEU 8 -18.343 23.865 16.663 73 H THR 9 HN THR 9 -12.337 23.762 14.413 74 HA THR 9 HA THR 9 -11.911 21.276 13.135 75 HB THR 9 HB THR 9 -9.817 23.404 13.620 76 HG1 THR 9 HG1 THR 9 -10.990 23.619 11.258 77 HG21 THR 9 HG21 THR 9 -9.083 21.229 12.641 78 HG22 THR 9 HG22 THR 9 -8.888 22.582 11.528 79 HG23 THR 9 HG23 THR 9 -10.240 21.470 11.332 80 H ARG 10 HN ARG 10 -10.407 22.797 15.962 81 HA ARG 10 HA ARG 10 -8.465 20.865 16.515 82 HB2 ARG 10 HB2 ARG 10 -8.572 23.064 17.628 83 HB3 ARG 10 HB1 ARG 10 -10.015 22.542 18.500 84 HG2 ARG 10 HG2 ARG 10 -8.735 20.720 19.557 85 HG3 ARG 10 HG1 ARG 10 -7.296 21.206 18.664 86 HD2 ARG 10 HD2 ARG 10 -7.422 23.438 19.754 87 HD3 ARG 10 HD1 ARG 10 -8.786 22.868 20.715 88 HE ARG 10 HE ARG 10 -5.975 22.133 21.059 89 HH11 ARG 10 HH21 ARG 10 -9.298 21.435 21.691 90 HH12 ARG 10 HH22 ARG 10 -8.974 20.484 23.101 91 HH21 ARG 10 HH11 ARG 10 -5.536 20.879 22.908 92 HH22 ARG 10 HH12 ARG 10 -6.842 20.166 23.797 93 H SER 11 HN SER 11 -11.827 21.072 17.502 94 HA SER 11 HA SER 11 -11.848 18.769 19.168 95 HB2 SER 11 HB2 SER 11 -14.120 20.078 17.663 96 HB3 SER 11 HB1 SER 11 -14.305 18.880 18.941 97 HG SER 11 HG1 SER 11 -12.940 20.460 20.190 98 H ALA 12 HN ALA 12 -12.504 19.335 15.794 99 HA ALA 12 HA ALA 12 -13.446 16.768 15.064 100 HB1 ALA 12 HB1 ALA 12 -12.953 17.397 12.790 101 HB2 ALA 12 HB2 ALA 12 -11.778 18.603 13.318 102 HB3 ALA 12 HB3 ALA 12 -13.501 18.859 13.612 103 H ILE 13 HN ILE 13 -10.384 18.216 15.507 104 HA ILE 13 HA ILE 13 -8.795 16.009 14.590 105 HB ILE 13 HB ILE 13 -8.409 18.789 15.457 106 HG12 ILE 13 HG12 ILE 13 -6.544 17.101 13.780 107 HG13 ILE 13 HG11 ILE 13 -8.027 17.806 13.135 108 HG21 ILE 13 HG21 ILE 13 -7.196 17.948 17.307 109 HG22 ILE 13 HG22 ILE 13 -6.013 18.517 16.130 110 HG23 ILE 13 HG23 ILE 13 -6.325 16.787 16.307 111 HD11 ILE 13 HD3 ILE 13 -5.707 19.315 14.372 112 HD12 ILE 13 HD1 ILE 13 -7.232 20.055 13.880 113 HD13 ILE 13 HD2 ILE 13 -6.180 19.317 12.672 114 H ARG 14 HN ARG 14 -10.098 17.161 17.614 115 HA ARG 14 HA ARG 14 -8.475 15.687 19.392 116 HB2 ARG 14 HB2 ARG 14 -10.033 17.495 20.093 117 HB3 ARG 14 HB1 ARG 14 -11.389 16.427 19.724 118 HG2 ARG 14 HG2 ARG 14 -10.661 14.825 21.384 119 HG3 ARG 14 HG1 ARG 14 -9.196 15.752 21.700 120 HD2 ARG 14 HD2 ARG 14 -10.842 16.236 23.430 121 HD3 ARG 14 HD1 ARG 14 -10.593 17.668 22.432 122 HE ARG 14 HE ARG 14 -12.763 16.094 21.434 123 HH11 ARG 14 HH21 ARG 14 -11.815 18.275 23.951 124 HH12 ARG 14 HH22 ARG 14 -13.417 18.882 24.215 125 HH21 ARG 14 HH11 ARG 14 -14.861 16.889 21.777 126 HH22 ARG 14 HH12 ARG 14 -15.139 18.095 22.984 127 H ARG 15 HN ARG 15 -11.508 14.959 17.841 128 HA ARG 15 HA ARG 15 -12.078 12.444 18.840 129 HB2 ARG 15 HB2 ARG 15 -12.489 13.524 16.036 130 HB3 ARG 15 HB1 ARG 15 -13.266 12.088 16.695 131 HG2 ARG 15 HG2 ARG 15 -14.400 13.380 18.379 132 HG3 ARG 15 HG1 ARG 15 -13.496 14.829 17.937 133 HD2 ARG 15 HD2 ARG 15 -15.705 14.947 16.925 134 HD3 ARG 15 HD1 ARG 15 -14.496 14.724 15.663 135 HE ARG 15 HE ARG 15 -15.516 12.204 16.550 136 HH11 ARG 15 HH21 ARG 15 -16.271 15.009 14.656 137 HH12 ARG 15 HH22 ARG 15 -17.374 14.178 13.618 138 HH21 ARG 15 HH11 ARG 15 -16.959 11.109 15.190 139 HH22 ARG 15 HH12 ARG 15 -17.768 11.965 13.922 140 H ALA 16 HN ALA 16 -9.873 13.465 16.283 141 HA ALA 16 HA ALA 16 -9.236 10.942 15.270 142 HB1 ALA 16 HB1 ALA 16 -8.402 13.289 14.473 143 HB2 ALA 16 HB2 ALA 16 -7.315 11.913 14.297 144 HB3 ALA 16 HB3 ALA 16 -7.106 13.039 15.638 145 H SER 17 HN SER 17 -8.576 12.497 18.151 146 HA SER 17 HA SER 17 -6.539 10.596 19.063 147 HB2 SER 17 HB2 SER 17 -6.736 13.185 19.608 148 HB3 SER 17 HB1 SER 17 -7.779 12.623 20.904 149 HG SER 17 HG1 SER 17 -6.063 11.884 21.877 150 H THR 18 HN THR 18 -9.614 11.767 20.559 151 HA THR 18 HA THR 18 -9.976 9.116 21.745 152 HB THR 18 HB THR 18 -9.836 11.127 23.189 153 HG1 THR 18 HG1 THR 18 -12.345 10.375 23.749 154 HG21 THR 18 HG21 THR 18 -12.597 11.758 22.157 155 HG22 THR 18 HG22 THR 18 -11.161 12.542 21.510 156 HG23 THR 18 HG23 THR 18 -11.578 12.734 23.211 157 H ILE 19 HN ILE 19 -10.916 9.816 18.921 158 HA ILE 19 HA ILE 19 -13.666 10.151 18.652 159 HB ILE 19 HB ILE 19 -12.335 9.706 16.662 160 HG12 ILE 19 HG12 ILE 19 -13.723 8.100 15.489 161 HG13 ILE 19 HG11 ILE 19 -14.257 7.372 16.996 162 HG21 ILE 19 HG21 ILE 19 -12.021 6.898 17.767 163 HG22 ILE 19 HG22 ILE 19 -10.761 8.136 17.770 164 HG23 ILE 19 HG23 ILE 19 -11.363 7.496 16.240 165 HD11 ILE 19 HD3 ILE 19 -15.841 9.057 15.840 166 HD12 ILE 19 HD1 ILE 19 -14.729 10.292 16.411 167 HD13 ILE 19 HD2 ILE 19 -15.565 9.267 17.567 168 H GLU 20 HN GLU 20 -11.877 7.491 19.917 169 HA GLU 20 HA GLU 20 -14.351 6.162 20.869 170 HB2 GLU 20 HB2 GLU 20 -13.448 4.019 20.415 171 HB3 GLU 20 HB1 GLU 20 -13.135 4.965 18.962 172 HG2 GLU 20 HG2 GLU 20 -10.814 5.463 20.098 173 HG3 GLU 20 HG1 GLU 20 -11.184 4.039 21.081 174 H MET 21 HN MET 21 -14.430 6.586 22.912 175 HA MET 21 HA MET 21 -12.686 7.554 24.710 176 HB2 MET 21 HB2 MET 21 -15.031 5.801 24.959 177 HB3 MET 21 HB1 MET 21 -13.915 5.588 26.311 178 HG2 MET 21 HG2 MET 21 -15.546 7.309 26.865 179 HG3 MET 21 HG1 MET 21 -13.972 8.073 26.647 180 HE1 MET 21 HE1 MET 21 -17.682 8.135 25.602 181 HE2 MET 21 HE2 MET 21 -17.528 9.809 25.091 182 HE3 MET 21 HE3 MET 21 -16.875 9.317 26.646 183 HA PRO 22 HA PRO 22 -10.937 3.016 25.908 184 HB2 PRO 22 HB2 PRO 22 -10.964 2.263 22.999 185 HB3 PRO 22 HB1 PRO 22 -11.004 1.206 24.429 186 HG2 PRO 22 HG2 PRO 22 -13.233 1.754 23.044 187 HG3 PRO 22 HG1 PRO 22 -13.253 1.567 24.812 188 HD2 PRO 22 HD2 PRO 22 -13.618 4.046 23.227 189 HD3 PRO 22 HD1 PRO 22 -14.045 3.721 24.919 190 H GLN 23 HN GLN 23 -8.920 3.538 26.288 191 HA GLN 23 HA GLN 23 -7.380 5.261 24.521 192 HB2 GLN 23 HB2 GLN 23 -6.780 4.035 27.214 193 HB3 GLN 23 HB1 GLN 23 -5.661 5.088 26.341 194 HG2 GLN 23 HG2 GLN 23 -7.286 6.896 26.333 195 HG3 GLN 23 HG1 GLN 23 -8.498 5.856 27.080 196 HE21 GLN 23 HE21 GLN 23 -7.102 8.403 28.090 197 HE22 GLN 23 HE22 GLN 23 -6.494 7.964 29.613 198 H GLN 24 HN GLN 24 -7.815 1.943 24.835 199 HA GLN 24 HA GLN 24 -5.132 1.258 23.782 200 HB2 GLN 24 HB2 GLN 24 -7.374 -0.430 24.941 201 HB3 GLN 24 HB1 GLN 24 -5.893 -1.094 24.241 202 HG2 GLN 24 HG2 GLN 24 -4.543 0.149 25.872 203 HG3 GLN 24 HG1 GLN 24 -6.007 0.856 26.553 204 HE21 GLN 24 HE21 GLN 24 -4.786 -0.396 28.499 205 HE22 GLN 24 HE22 GLN 24 -5.364 -1.967 28.777 206 H ALA 25 HN ALA 25 -8.538 0.596 23.326 207 HA ALA 25 HA ALA 25 -8.355 -0.648 20.808 208 HB1 ALA 25 HB1 ALA 25 -10.471 0.018 22.490 209 HB2 ALA 25 HB2 ALA 25 -10.652 -0.744 20.914 210 HB3 ALA 25 HB3 ALA 25 -10.808 1.001 21.068 211 H ARG 26 HN ARG 26 -7.820 2.545 21.782 212 HA ARG 26 HA ARG 26 -8.393 3.975 19.447 213 HB2 ARG 26 HB2 ARG 26 -8.072 5.090 21.567 214 HB3 ARG 26 HB1 ARG 26 -6.452 4.420 21.717 215 HG2 ARG 26 HG2 ARG 26 -5.703 5.692 19.800 216 HG3 ARG 26 HG1 ARG 26 -7.344 6.269 19.518 217 HD2 ARG 26 HD2 ARG 26 -7.314 7.411 21.698 218 HD3 ARG 26 HD1 ARG 26 -5.685 6.821 21.987 219 HE ARG 26 HE ARG 26 -6.460 8.973 20.168 220 HH11 ARG 26 HH21 ARG 26 -4.054 6.708 21.202 221 HH12 ARG 26 HH22 ARG 26 -2.733 7.600 20.523 222 HH21 ARG 26 HH11 ARG 26 -4.731 10.145 19.283 223 HH22 ARG 26 HH12 ARG 26 -3.115 9.544 19.441 224 H GLN 27 HN GLN 27 -5.112 3.425 20.740 225 HA GLN 27 HA GLN 27 -3.889 3.611 18.212 226 HB2 GLN 27 HB2 GLN 27 -2.904 2.588 20.862 227 HB3 GLN 27 HB1 GLN 27 -1.877 2.788 19.441 228 HG2 GLN 27 HG2 GLN 27 -2.429 5.174 19.344 229 HG3 GLN 27 HG1 GLN 27 -3.507 5.000 20.728 230 HE21 GLN 27 HE21 GLN 27 -2.464 5.953 22.485 231 HE22 GLN 27 HE22 GLN 27 -0.840 5.695 22.901 232 H ASN 28 HN ASN 28 -4.980 0.814 20.108 233 HA ASN 28 HA ASN 28 -3.568 -1.152 18.676 234 HB2 ASN 28 HB2 ASN 28 -6.224 -1.274 20.082 235 HB3 ASN 28 HB1 ASN 28 -5.418 -2.691 19.414 236 HD21 ASN 28 HD21 ASN 28 -2.673 -1.692 20.128 237 HD22 ASN 28 HD22 ASN 28 -2.557 -1.854 21.812 238 H LEU 29 HN LEU 29 -6.888 -0.012 18.149 239 HA LEU 29 HA LEU 29 -7.254 -1.551 15.790 240 HB2 LEU 29 HB2 LEU 29 -8.745 0.901 16.748 241 HB3 LEU 29 HB1 LEU 29 -9.244 -0.116 15.403 242 HG LEU 29 HG LEU 29 -8.862 -1.098 18.246 243 HD11 LEU 29 HD11 LEU 29 -11.469 -0.696 16.763 244 HD12 LEU 29 HD12 LEU 29 -10.786 0.519 17.837 245 HD13 LEU 29 HD13 LEU 29 -11.239 -1.061 18.472 246 HD21 LEU 29 HD21 LEU 29 -9.663 -2.418 15.645 247 HD22 LEU 29 HD22 LEU 29 -10.362 -3.020 17.149 248 HD23 LEU 29 HD23 LEU 29 -8.620 -3.030 16.928 249 H GLN 30 HN GLN 30 -6.164 1.764 16.428 250 HA GLN 30 HA GLN 30 -6.140 2.486 13.684 251 HB2 GLN 30 HB2 GLN 30 -4.879 3.709 16.122 252 HB3 GLN 30 HB1 GLN 30 -4.714 4.405 14.512 253 HG2 GLN 30 HG2 GLN 30 -7.143 4.603 14.315 254 HG3 GLN 30 HG1 GLN 30 -7.354 3.838 15.889 255 HE21 GLN 30 HE21 GLN 30 -5.323 6.552 14.610 256 HE22 GLN 30 HE22 GLN 30 -5.697 7.612 15.882 257 H ASN 31 HN ASN 31 -3.847 0.930 15.846 258 HA ASN 31 HA ASN 31 -1.524 1.381 14.303 259 HB2 ASN 31 HB2 ASN 31 -1.347 0.555 16.591 260 HB3 ASN 31 HB1 ASN 31 -2.187 -0.926 16.140 261 HD21 ASN 31 HD21 ASN 31 -0.287 -2.236 16.705 262 HD22 ASN 31 HD22 ASN 31 1.084 -2.248 15.701 263 H LEU 32 HN LEU 32 -3.932 -1.163 14.265 264 HA LEU 32 HA LEU 32 -2.707 -2.767 12.312 265 HB2 LEU 32 HB2 LEU 32 -5.623 -2.435 13.044 266 HB3 LEU 32 HB1 LEU 32 -5.019 -3.679 11.956 267 HG LEU 32 HG LEU 32 -4.119 -3.312 14.824 268 HD11 LEU 32 HD11 LEU 32 -5.502 -5.240 15.347 269 HD12 LEU 32 HD12 LEU 32 -6.003 -5.392 13.666 270 HD13 LEU 32 HD13 LEU 32 -6.515 -3.993 14.621 271 HD21 LEU 32 HD21 LEU 32 -3.413 -5.839 14.287 272 HD22 LEU 32 HD22 LEU 32 -2.368 -4.503 13.819 273 HD23 LEU 32 HD23 LEU 32 -3.415 -5.257 12.617 274 H PHE 33 HN PHE 33 -5.022 -0.128 12.166 275 HA PHE 33 HA PHE 33 -5.419 -0.157 9.368 276 HB2 PHE 33 HB2 PHE 33 -6.875 1.049 10.981 277 HB3 PHE 33 HB1 PHE 33 -5.570 2.205 11.262 278 HD1 PHE 33 HD1 PHE 33 -7.756 0.774 8.595 279 HD2 PHE 33 HD2 PHE 33 -5.224 4.034 9.787 280 HE1 PHE 33 HE1 PHE 33 -8.469 2.058 6.601 281 HE2 PHE 33 HE2 PHE 33 -5.938 5.319 7.788 282 HZ PHE 33 HZ PHE 33 -7.562 4.331 6.197 283 H ILE 34 HN ILE 34 -3.250 1.733 11.424 284 HA ILE 34 HA ILE 34 -1.955 3.128 9.317 285 HB ILE 34 HB ILE 34 -1.024 2.487 12.124 286 HG12 ILE 34 HG12 ILE 34 -1.950 5.109 10.912 287 HG13 ILE 34 HG11 ILE 34 -3.054 3.992 11.710 288 HG21 ILE 34 HG21 ILE 34 0.974 2.907 10.840 289 HG22 ILE 34 HG22 ILE 34 0.585 4.416 11.663 290 HG23 ILE 34 HG23 ILE 34 0.200 4.224 9.954 291 HD11 ILE 34 HD3 ILE 34 -2.086 5.856 13.174 292 HD12 ILE 34 HD1 ILE 34 -0.547 5.001 13.057 293 HD13 ILE 34 HD2 ILE 34 -1.938 4.213 13.798 294 H ASN 35 HN ASN 35 -1.053 0.158 11.075 295 HA ASN 35 HA ASN 35 1.337 -0.290 9.643 296 HB2 ASN 35 HB2 ASN 35 0.855 -1.398 11.800 297 HB3 ASN 35 HB1 ASN 35 -0.457 -2.293 11.038 298 HD21 ASN 35 HD21 ASN 35 2.063 -3.398 12.238 299 HD22 ASN 35 HD22 ASN 35 2.816 -4.256 10.982 300 H PHE 36 HN PHE 36 -1.984 -1.355 9.298 301 HA PHE 36 HA PHE 36 -1.564 -3.027 7.074 302 HB2 PHE 36 HB2 PHE 36 -3.627 -3.211 8.324 303 HB3 PHE 36 HB1 PHE 36 -4.064 -1.550 7.899 304 HD1 PHE 36 HD1 PHE 36 -3.312 -4.904 6.427 305 HD2 PHE 36 HD2 PHE 36 -5.217 -1.086 5.875 306 HE1 PHE 36 HE1 PHE 36 -4.368 -5.724 4.335 307 HE2 PHE 36 HE2 PHE 36 -6.264 -1.911 3.789 308 HZ PHE 36 HZ PHE 36 -5.846 -4.231 3.015 309 H ALA 37 HN ALA 37 -1.867 0.454 7.306 310 HA ALA 37 HA ALA 37 -2.409 0.850 4.517 311 HB1 ALA 37 HB1 ALA 37 -3.106 2.501 6.203 312 HB2 ALA 37 HB2 ALA 37 -2.008 3.214 5.021 313 HB3 ALA 37 HB3 ALA 37 -1.414 2.779 6.623 314 H LEU 38 HN LEU 38 0.412 0.924 6.630 315 HA LEU 38 HA LEU 38 2.294 1.903 4.765 316 HB2 LEU 38 HB2 LEU 38 2.392 0.377 7.325 317 HB3 LEU 38 HB1 LEU 38 3.868 0.443 6.372 318 HG LEU 38 HG LEU 38 3.385 2.262 8.228 319 HD11 LEU 38 HD11 LEU 38 4.660 3.952 6.868 320 HD12 LEU 38 HD12 LEU 38 4.459 2.896 5.475 321 HD13 LEU 38 HD13 LEU 38 5.364 2.336 6.880 322 HD21 LEU 38 HD21 LEU 38 2.128 4.150 7.673 323 HD22 LEU 38 HD22 LEU 38 1.137 2.895 6.982 324 HD23 LEU 38 HD23 LEU 38 2.185 3.851 5.944 325 H ILE 39 HN ILE 39 1.217 -1.407 5.487 326 HA ILE 39 HA ILE 39 3.089 -2.688 3.778 327 HB ILE 39 HB ILE 39 0.314 -3.514 4.693 328 HG12 ILE 39 HG12 ILE 39 3.038 -4.514 5.575 329 HG13 ILE 39 HG11 ILE 39 2.187 -3.209 6.398 330 HG21 ILE 39 HG21 ILE 39 2.470 -5.068 3.228 331 HG22 ILE 39 HG22 ILE 39 0.829 -4.749 2.664 332 HG23 ILE 39 HG23 ILE 39 1.097 -5.821 4.037 333 HD11 ILE 39 HD3 ILE 39 1.824 -5.536 7.374 334 HD12 ILE 39 HD1 ILE 39 0.930 -5.913 5.901 335 HD13 ILE 39 HD2 ILE 39 0.357 -4.641 6.977 336 H LEU 40 HN LEU 40 -0.159 -1.448 3.361 337 HA LEU 40 HA LEU 40 -0.544 -2.196 0.656 338 HB2 LEU 40 HB2 LEU 40 -2.358 -1.381 2.164 339 HB3 LEU 40 HB1 LEU 40 -1.657 0.229 2.081 340 HG LEU 40 HG LEU 40 -1.954 0.141 -0.440 341 HD11 LEU 40 HD11 LEU 40 -3.840 -1.540 -1.102 342 HD12 LEU 40 HD12 LEU 40 -3.333 -2.436 0.325 343 HD13 LEU 40 HD13 LEU 40 -2.191 -2.148 -0.983 344 HD21 LEU 40 HD21 LEU 40 -3.508 1.306 1.132 345 HD22 LEU 40 HD22 LEU 40 -4.480 -0.162 1.216 346 HD23 LEU 40 HD23 LEU 40 -4.322 0.705 -0.312 347 H ILE 41 HN ILE 41 0.502 0.862 2.064 348 HA ILE 41 HA ILE 41 1.079 2.177 -0.346 349 HB ILE 41 HB ILE 41 2.076 2.604 2.467 350 HG12 ILE 41 HG12 ILE 41 -0.331 3.021 2.099 351 HG13 ILE 41 HG11 ILE 41 0.523 4.518 2.429 352 HG21 ILE 41 HG21 ILE 41 3.773 3.570 1.163 353 HG22 ILE 41 HG22 ILE 41 2.710 4.914 1.573 354 HG23 ILE 41 HG23 ILE 41 2.634 4.180 -0.029 355 HD11 ILE 41 HD3 ILE 41 0.642 4.484 -0.310 356 HD12 ILE 41 HD1 ILE 41 -0.655 5.250 0.607 357 HD13 ILE 41 HD2 ILE 41 -0.869 3.626 -0.037 358 H PHE 42 HN PHE 42 3.290 0.319 1.804 359 HA PHE 42 HA PHE 42 5.647 0.844 0.405 360 HB2 PHE 42 HB2 PHE 42 5.504 -0.308 2.601 361 HB3 PHE 42 HB1 PHE 42 4.925 -1.753 1.770 362 HD1 PHE 42 HD2 PHE 42 7.736 0.703 1.811 363 HD2 PHE 42 HD1 PHE 42 6.469 -3.282 0.836 364 HE1 PHE 42 HE2 PHE 42 10.080 0.084 1.296 365 HE2 PHE 42 HE1 PHE 42 8.813 -3.902 0.323 366 HZ PHE 42 HZ PHE 42 10.619 -2.218 0.552 367 H LEU 43 HN LEU 43 3.445 -1.947 -0.052 368 HA LEU 43 HA LEU 43 4.851 -3.036 -2.242 369 HB2 LEU 43 HB2 LEU 43 2.048 -3.363 -1.179 370 HB3 LEU 43 HB1 LEU 43 2.491 -4.110 -2.713 371 HG LEU 43 HG LEU 43 4.521 -5.090 -1.339 372 HD11 LEU 43 HD11 LEU 43 2.547 -4.714 0.907 373 HD12 LEU 43 HD12 LEU 43 3.939 -3.655 0.680 374 HD13 LEU 43 HD13 LEU 43 4.180 -5.369 1.001 375 HD21 LEU 43 HD21 LEU 43 1.662 -6.029 -0.961 376 HD22 LEU 43 HD22 LEU 43 3.086 -7.013 -0.619 377 HD23 LEU 43 HD23 LEU 43 2.750 -6.493 -2.272 378 H LEU 44 HN LEU 44 2.224 -0.700 -2.070 379 HA LEU 44 HA LEU 44 1.725 -0.554 -4.850 380 HB2 LEU 44 HB2 LEU 44 1.156 1.149 -2.465 381 HB3 LEU 44 HB1 LEU 44 0.898 1.853 -4.055 382 HG LEU 44 HG LEU 44 -1.073 0.599 -2.767 383 HD11 LEU 44 HD11 LEU 44 -1.385 1.600 -4.933 384 HD12 LEU 44 HD12 LEU 44 -2.067 -0.028 -4.983 385 HD13 LEU 44 HD13 LEU 44 -0.494 0.294 -5.718 386 HD21 LEU 44 HD21 LEU 44 -0.143 -1.789 -4.403 387 HD22 LEU 44 HD22 LEU 44 -1.335 -1.704 -3.117 388 HD23 LEU 44 HD23 LEU 44 0.362 -1.604 -2.724 389 H LEU 45 HN LEU 45 3.997 1.103 -2.705 390 HA LEU 45 HA LEU 45 4.878 3.016 -4.572 391 HB2 LEU 45 HB2 LEU 45 6.123 1.805 -2.116 392 HB3 LEU 45 HB1 LEU 45 7.024 2.945 -3.101 393 HG LEU 45 HG LEU 45 4.259 3.555 -2.009 394 HD11 LEU 45 HD11 LEU 45 5.456 4.848 -0.236 395 HD12 LEU 45 HD12 LEU 45 6.976 4.159 -0.799 396 HD13 LEU 45 HD13 LEU 45 5.737 3.113 -0.113 397 HD21 LEU 45 HD21 LEU 45 5.328 5.965 -2.267 398 HD22 LEU 45 HD22 LEU 45 4.727 5.143 -3.698 399 HD23 LEU 45 HD23 LEU 45 6.453 5.159 -3.361 400 H ILE 46 HN ILE 46 5.922 -0.271 -3.912 401 HA ILE 46 HA ILE 46 8.174 -0.268 -5.602 402 HB ILE 46 HB ILE 46 6.367 -2.470 -4.594 403 HG12 ILE 46 HG12 ILE 46 9.200 -1.706 -3.836 404 HG13 ILE 46 HG11 ILE 46 7.776 -1.115 -2.982 405 HG21 ILE 46 HG21 ILE 46 7.376 -3.311 -6.597 406 HG22 ILE 46 HG22 ILE 46 8.313 -3.954 -5.249 407 HG23 ILE 46 HG23 ILE 46 8.934 -2.594 -6.187 408 HD11 ILE 46 HD3 ILE 46 8.263 -4.070 -3.391 409 HD12 ILE 46 HD1 ILE 46 7.181 -3.292 -2.235 410 HD13 ILE 46 HD2 ILE 46 8.926 -3.202 -2.007 411 H ALA 47 HN ALA 47 4.794 -1.100 -6.078 412 HA ALA 47 HA ALA 47 4.909 -2.058 -8.711 413 HB1 ALA 47 HB1 ALA 47 2.687 -0.400 -7.490 414 HB2 ALA 47 HB2 ALA 47 2.875 -2.144 -7.293 415 HB3 ALA 47 HB3 ALA 47 2.558 -1.465 -8.888 416 H ILE 48 HN ILE 48 4.476 1.241 -7.497 417 HA ILE 48 HA ILE 48 4.295 2.533 -10.002 418 HB ILE 48 HB ILE 48 5.226 3.556 -7.311 419 HG12 ILE 48 HG12 ILE 48 2.612 3.977 -8.788 420 HG13 ILE 48 HG11 ILE 48 2.850 2.702 -7.595 421 HG21 ILE 48 HG21 ILE 48 4.652 4.984 -9.921 422 HG22 ILE 48 HG22 ILE 48 6.121 5.057 -8.948 423 HG23 ILE 48 HG23 ILE 48 4.639 5.811 -8.362 424 HD11 ILE 48 HD3 ILE 48 3.286 4.291 -5.850 425 HD12 ILE 48 HD1 ILE 48 1.826 4.832 -6.678 426 HD13 ILE 48 HD2 ILE 48 3.368 5.624 -7.002 427 H ILE 49 HN ILE 49 7.066 1.856 -7.903 428 HA ILE 49 HA ILE 49 9.012 3.182 -9.464 429 HB ILE 49 HB ILE 49 9.212 0.895 -7.523 430 HG12 ILE 49 HG12 ILE 49 10.066 3.786 -7.215 431 HG13 ILE 49 HG11 ILE 49 8.470 3.214 -6.744 432 HG21 ILE 49 HG21 ILE 49 11.385 2.473 -8.928 433 HG22 ILE 49 HG22 ILE 49 11.177 0.724 -8.908 434 HG23 ILE 49 HG23 ILE 49 11.674 1.570 -7.443 435 HD11 ILE 49 HD3 ILE 49 9.351 1.755 -5.085 436 HD12 ILE 49 HD1 ILE 49 10.252 3.259 -4.896 437 HD13 ILE 49 HD2 ILE 49 10.988 1.887 -5.726 438 H VAL 50 HN VAL 50 7.896 -0.157 -9.389 439 HA VAL 50 HA VAL 50 9.666 -1.156 -11.348 440 HB VAL 50 HB VAL 50 6.919 -2.075 -10.467 441 HG11 VAL 50 HG11 VAL 50 8.918 -3.318 -12.378 442 HG12 VAL 50 HG12 VAL 50 7.207 -2.993 -12.650 443 HG13 VAL 50 HG13 VAL 50 7.691 -4.269 -11.539 444 HG21 VAL 50 HG21 VAL 50 9.617 -3.343 -9.930 445 HG22 VAL 50 HG22 VAL 50 8.093 -3.617 -9.085 446 HG23 VAL 50 HG23 VAL 50 8.955 -2.095 -8.874 447 H MET 51 HN MET 51 6.350 0.119 -11.530 448 HA MET 51 HA MET 51 6.123 -0.176 -14.336 449 HB2 MET 51 HB2 MET 51 4.614 1.441 -12.286 450 HB3 MET 51 HB1 MET 51 4.238 1.557 -14.006 451 HG2 MET 51 HG2 MET 51 3.941 -0.944 -14.047 452 HG3 MET 51 HG1 MET 51 4.138 -0.947 -12.290 453 HE1 MET 51 HE1 MET 51 2.506 1.719 -11.276 454 HE2 MET 51 HE2 MET 51 2.785 0.091 -10.670 455 HE3 MET 51 HE3 MET 51 1.138 0.680 -10.831 456 H LEU 52 HN LEU 52 7.535 2.307 -12.257 457 HA LEU 52 HA LEU 52 7.499 4.429 -14.090 458 HB2 LEU 52 HB2 LEU 52 8.083 4.732 -11.732 459 HB3 LEU 52 HB1 LEU 52 9.544 3.785 -11.965 460 HG LEU 52 HG LEU 52 10.419 5.456 -13.539 461 HD11 LEU 52 HD11 LEU 52 8.588 6.419 -14.644 462 HD12 LEU 52 HD12 LEU 52 9.041 7.713 -13.541 463 HD13 LEU 52 HD13 LEU 52 7.678 6.663 -13.156 464 HD21 LEU 52 HD21 LEU 52 10.733 5.676 -11.043 465 HD22 LEU 52 HD22 LEU 52 9.386 6.814 -11.033 466 HD23 LEU 52 HD23 LEU 52 10.853 7.200 -11.922 467 H LEU 53 HN LEU 53 9.814 1.783 -13.701 468 HA LEU 53 HA LEU 53 11.688 2.772 -15.592 469 HB2 LEU 53 HB2 LEU 53 11.198 -0.096 -14.757 470 HB3 LEU 53 HB1 LEU 53 12.652 0.544 -15.524 471 HG LEU 53 HG LEU 53 11.594 1.426 -12.819 472 HD11 LEU 53 HD11 LEU 53 12.431 -0.906 -12.813 473 HD12 LEU 53 HD12 LEU 53 13.498 0.154 -11.897 474 HD13 LEU 53 HD13 LEU 53 13.951 -0.362 -13.522 475 HD21 LEU 53 HD21 LEU 53 12.867 3.241 -13.639 476 HD22 LEU 53 HD22 LEU 53 13.987 2.194 -14.509 477 HD23 LEU 53 HD23 LEU 53 14.076 2.316 -12.751 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -9.102 31.193 6.380 2 H2 ALA 1 HT2 ALA 1 -9.472 31.060 8.034 3 H3 ALA 1 HT3 ALA 1 -7.862 31.266 7.531 4 HA ALA 1 HA ALA 1 -8.104 33.477 7.105 5 HB1 ALA 1 HB1 ALA 1 -9.981 33.057 5.502 6 HB2 ALA 1 HB2 ALA 1 -10.226 34.502 6.482 7 HB3 ALA 1 HB3 ALA 1 -11.093 33.016 6.870 8 H MET 2 HN MET 2 -9.955 31.524 9.262 9 HA MET 2 HA MET 2 -10.607 33.657 11.114 10 HB2 MET 2 HB2 MET 2 -10.815 30.649 11.320 11 HB3 MET 2 HB1 MET 2 -11.336 31.764 12.582 12 HG2 MET 2 HG2 MET 2 -12.914 32.821 11.047 13 HG3 MET 2 HG1 MET 2 -12.355 31.795 9.729 14 HE1 MET 2 HE1 MET 2 -13.094 30.616 13.615 15 HE2 MET 2 HE2 MET 2 -14.834 30.743 13.397 16 HE3 MET 2 HE3 MET 2 -13.821 32.148 13.095 17 H GLU 3 HN GLU 3 -9.820 33.757 13.295 18 HA GLU 3 HA GLU 3 -6.990 33.624 13.468 19 HB2 GLU 3 HB2 GLU 3 -7.314 34.291 15.819 20 HB3 GLU 3 HB1 GLU 3 -8.273 35.283 14.723 21 HG2 GLU 3 HG2 GLU 3 -10.243 33.852 15.181 22 HG3 GLU 3 HG1 GLU 3 -9.283 32.916 16.324 23 H LYS 4 HN LYS 4 -9.574 31.521 14.558 24 HA LYS 4 HA LYS 4 -8.087 29.868 16.294 25 HB2 LYS 4 HB2 LYS 4 -10.520 29.273 14.601 26 HB3 LYS 4 HB1 LYS 4 -9.896 28.206 15.859 27 HG2 LYS 4 HG2 LYS 4 -10.205 29.964 17.544 28 HG3 LYS 4 HG1 LYS 4 -10.782 31.072 16.299 29 HD2 LYS 4 HD2 LYS 4 -12.667 29.549 15.810 30 HD3 LYS 4 HD1 LYS 4 -12.101 28.455 17.073 31 HE2 LYS 4 HE2 LYS 4 -12.397 30.211 18.759 32 HE3 LYS 4 HE1 LYS 4 -12.922 31.337 17.509 33 HZ1 LYS 4 HZ1 LYS 4 -14.312 28.995 18.602 34 HZ2 LYS 4 HZ2 LYS 4 -14.624 29.467 16.999 35 HZ3 LYS 4 HZ3 LYS 4 -14.911 30.546 18.280 36 H VAL 5 HN VAL 5 -7.692 30.365 13.049 37 HA VAL 5 HA VAL 5 -7.183 27.767 12.066 38 HB VAL 5 HB VAL 5 -6.154 30.468 11.184 39 HG11 VAL 5 HG11 VAL 5 -5.649 29.190 9.022 40 HG12 VAL 5 HG12 VAL 5 -5.793 27.714 9.977 41 HG13 VAL 5 HG13 VAL 5 -4.546 28.898 10.368 42 HG21 VAL 5 HG21 VAL 5 -8.647 29.826 11.036 43 HG22 VAL 5 HG22 VAL 5 -8.155 28.637 9.834 44 HG23 VAL 5 HG23 VAL 5 -7.878 30.353 9.541 45 H GLN 6 HN GLN 6 -5.080 30.182 13.547 46 HA GLN 6 HA GLN 6 -2.664 28.745 13.289 47 HB2 GLN 6 HB2 GLN 6 -3.459 30.850 15.292 48 HB3 GLN 6 HB1 GLN 6 -1.816 30.269 15.041 49 HG2 GLN 6 HG2 GLN 6 -3.531 31.540 12.889 50 HG3 GLN 6 HG1 GLN 6 -2.287 32.387 13.806 51 HE21 GLN 6 HE21 GLN 6 -2.663 31.190 10.828 52 HE22 GLN 6 HE22 GLN 6 -1.114 30.564 10.530 53 H TYR 7 HN TYR 7 -4.927 28.998 16.011 54 HA TYR 7 HA TYR 7 -3.512 27.330 17.784 55 HB2 TYR 7 HB2 TYR 7 -5.312 28.763 18.561 56 HB3 TYR 7 HB1 TYR 7 -6.477 27.892 17.567 57 HD1 TYR 7 HD1 TYR 7 -4.223 27.627 20.511 58 HD2 TYR 7 HD2 TYR 7 -7.371 25.771 18.247 59 HE1 TYR 7 HE1 TYR 7 -4.579 25.993 22.340 60 HE2 TYR 7 HE2 TYR 7 -7.720 24.138 20.081 61 HH TYR 7 HH TYR 7 -7.222 24.229 22.737 62 H LEU 8 HN LEU 8 -6.281 26.571 15.671 63 HA LEU 8 HA LEU 8 -6.499 23.866 16.192 64 HB2 LEU 8 HB2 LEU 8 -6.914 25.381 13.625 65 HB3 LEU 8 HB1 LEU 8 -7.337 23.682 13.800 66 HG LEU 8 HG LEU 8 -8.373 25.823 15.682 67 HD11 LEU 8 HD11 LEU 8 -10.459 25.761 14.327 68 HD12 LEU 8 HD12 LEU 8 -9.650 24.719 13.158 69 HD13 LEU 8 HD13 LEU 8 -9.092 26.375 13.398 70 HD21 LEU 8 HD21 LEU 8 -8.736 23.692 16.678 71 HD22 LEU 8 HD22 LEU 8 -9.063 22.919 15.133 72 HD23 LEU 8 HD23 LEU 8 -10.255 23.997 15.847 73 H THR 9 HN THR 9 -4.217 25.502 14.060 74 HA THR 9 HA THR 9 -3.124 23.193 12.855 75 HB THR 9 HB THR 9 -1.639 25.753 13.465 76 HG1 THR 9 HG1 THR 9 -3.862 25.484 12.131 77 HG21 THR 9 HG21 THR 9 -0.490 25.138 11.319 78 HG22 THR 9 HG22 THR 9 -1.368 23.609 11.349 79 HG23 THR 9 HG23 THR 9 -0.213 23.986 12.628 80 H ARG 10 HN ARG 10 -2.177 25.000 15.793 81 HA ARG 10 HA ARG 10 0.074 23.448 16.420 82 HB2 ARG 10 HB2 ARG 10 -0.444 25.630 17.474 83 HB3 ARG 10 HB1 ARG 10 -1.791 24.872 18.324 84 HG2 ARG 10 HG2 ARG 10 -0.298 23.381 19.507 85 HG3 ARG 10 HG1 ARG 10 1.079 23.944 18.560 86 HD2 ARG 10 HD2 ARG 10 1.111 25.060 20.719 87 HD3 ARG 10 HD1 ARG 10 0.729 26.236 19.465 88 HE ARG 10 HE ARG 10 -1.663 25.139 20.568 89 HH11 ARG 10 HH21 ARG 10 0.983 27.268 21.208 90 HH12 ARG 10 HH22 ARG 10 0.092 28.279 22.296 91 HH21 ARG 10 HH11 ARG 10 -2.843 26.458 21.998 92 HH22 ARG 10 HH12 ARG 10 -2.078 27.821 22.746 93 H SER 11 HN SER 11 -3.308 23.141 17.348 94 HA SER 11 HA SER 11 -3.000 20.855 19.011 95 HB2 SER 11 HB2 SER 11 -5.457 20.636 18.750 96 HB3 SER 11 HB1 SER 11 -4.984 22.280 19.151 97 HG SER 11 HG1 SER 11 -4.990 21.741 16.455 98 H ALA 12 HN ALA 12 -3.500 21.370 15.628 99 HA ALA 12 HA ALA 12 -4.231 18.805 14.772 100 HB1 ALA 12 HB1 ALA 12 -3.975 20.973 13.358 101 HB2 ALA 12 HB2 ALA 12 -3.552 19.440 12.599 102 HB3 ALA 12 HB3 ALA 12 -2.284 20.500 13.200 103 H ILE 13 HN ILE 13 -1.227 20.220 15.671 104 HA ILE 13 HA ILE 13 0.387 17.961 14.980 105 HB ILE 13 HB ILE 13 0.823 20.698 15.632 106 HG12 ILE 13 HG12 ILE 13 1.943 19.331 13.841 107 HG13 ILE 13 HG11 ILE 13 3.056 20.336 14.766 108 HG21 ILE 13 HG21 ILE 13 1.174 20.127 17.973 109 HG22 ILE 13 HG22 ILE 13 2.698 20.607 17.235 110 HG23 ILE 13 HG23 ILE 13 2.363 18.904 17.532 111 HD11 ILE 13 HD3 ILE 13 3.652 17.810 14.291 112 HD12 ILE 13 HD1 ILE 13 2.574 17.497 15.652 113 HD13 ILE 13 HD2 ILE 13 3.999 18.510 15.870 114 H ARG 14 HN ARG 14 -1.036 19.226 17.936 115 HA ARG 14 HA ARG 14 0.167 17.380 19.724 116 HB2 ARG 14 HB2 ARG 14 -0.980 19.457 20.469 117 HB3 ARG 14 HB1 ARG 14 -2.524 18.729 20.014 118 HG2 ARG 14 HG2 ARG 14 -2.214 16.933 21.622 119 HG3 ARG 14 HG1 ARG 14 -0.593 17.516 22.004 120 HD2 ARG 14 HD2 ARG 14 -2.126 18.283 23.727 121 HD3 ARG 14 HD1 ARG 14 -1.580 19.666 22.786 122 HE ARG 14 HE ARG 14 -4.020 18.599 21.728 123 HH11 ARG 14 HH21 ARG 14 -2.656 20.471 24.292 124 HH12 ARG 14 HH22 ARG 14 -4.096 21.391 24.581 125 HH21 ARG 14 HH11 ARG 14 -5.929 19.807 22.102 126 HH22 ARG 14 HH12 ARG 14 -5.941 21.014 23.344 127 H ARG 15 HN ARG 15 -2.913 17.352 18.060 128 HA ARG 15 HA ARG 15 -4.010 15.020 19.011 129 HB2 ARG 15 HB2 ARG 15 -4.159 16.310 16.284 130 HB3 ARG 15 HB1 ARG 15 -5.181 14.956 16.777 131 HG2 ARG 15 HG2 ARG 15 -6.132 16.233 18.594 132 HG3 ARG 15 HG1 ARG 15 -4.985 17.544 18.323 133 HD2 ARG 15 HD2 ARG 15 -7.150 18.122 17.350 134 HD3 ARG 15 HD1 ARG 15 -5.944 17.916 16.084 135 HE ARG 15 HE ARG 15 -7.299 15.458 16.539 136 HH11 ARG 15 HH21 ARG 15 -7.682 18.638 15.216 137 HH12 ARG 15 HH22 ARG 15 -8.891 18.167 14.070 138 HH21 ARG 15 HH11 ARG 15 -8.882 14.833 15.037 139 HH22 ARG 15 HH12 ARG 15 -9.572 16.007 13.970 140 H ALA 16 HN ALA 16 -1.590 15.528 16.516 141 HA ALA 16 HA ALA 16 -1.538 12.910 15.520 142 HB1 ALA 16 HB1 ALA 16 0.943 14.603 15.862 143 HB2 ALA 16 HB2 ALA 16 -0.226 14.889 14.568 144 HB3 ALA 16 HB3 ALA 16 0.648 13.358 14.647 145 H SER 17 HN SER 17 -0.546 14.344 18.397 146 HA SER 17 HA SER 17 1.090 12.107 19.311 147 HB2 SER 17 HB2 SER 17 1.305 14.693 19.931 148 HB3 SER 17 HB1 SER 17 0.164 14.265 21.197 149 HG SER 17 HG1 SER 17 1.635 12.608 21.802 150 H THR 18 HN THR 18 -1.816 13.738 20.729 151 HA THR 18 HA THR 18 -2.779 11.075 21.595 152 HB THR 18 HB THR 18 -2.033 12.298 23.515 153 HG1 THR 18 HG1 THR 18 -4.828 12.687 23.368 154 HG21 THR 18 HG21 THR 18 -2.996 14.551 24.024 155 HG22 THR 18 HG22 THR 18 -3.722 14.560 22.414 156 HG23 THR 18 HG23 THR 18 -1.965 14.532 22.591 157 H ILE 19 HN ILE 19 -3.561 12.188 19.132 158 HA ILE 19 HA ILE 19 -5.859 13.659 18.782 159 HB ILE 19 HB ILE 19 -4.972 12.552 16.872 160 HG12 ILE 19 HG12 ILE 19 -6.860 11.315 15.878 161 HG13 ILE 19 HG11 ILE 19 -7.634 11.142 17.436 162 HG21 ILE 19 HG21 ILE 19 -5.057 10.007 16.767 163 HG22 ILE 19 HG22 ILE 19 -5.460 10.045 18.485 164 HG23 ILE 19 HG23 ILE 19 -3.918 10.697 17.927 165 HD11 ILE 19 HD3 ILE 19 -8.653 12.983 16.174 166 HD12 ILE 19 HD1 ILE 19 -7.083 13.751 15.977 167 HD13 ILE 19 HD2 ILE 19 -7.823 13.643 17.575 168 H GLU 20 HN GLU 20 -5.563 10.631 20.411 169 HA GLU 20 HA GLU 20 -8.301 10.840 21.459 170 HB2 GLU 20 HB2 GLU 20 -8.804 8.565 21.074 171 HB3 GLU 20 HB1 GLU 20 -8.074 9.120 19.572 172 HG2 GLU 20 HG2 GLU 20 -5.845 8.219 20.588 173 HG3 GLU 20 HG1 GLU 20 -6.893 7.332 21.697 174 H MET 21 HN MET 21 -7.961 11.340 23.457 175 HA MET 21 HA MET 21 -5.859 11.193 25.088 176 HB2 MET 21 HB2 MET 21 -8.272 10.287 26.548 177 HB3 MET 21 HB1 MET 21 -7.257 11.685 26.826 178 HG2 MET 21 HG2 MET 21 -9.385 11.415 24.694 179 HG3 MET 21 HG1 MET 21 -9.467 12.426 26.130 180 HE1 MET 21 HE1 MET 21 -10.269 13.875 24.127 181 HE2 MET 21 HE2 MET 21 -9.536 13.139 22.710 182 HE3 MET 21 HE3 MET 21 -9.193 14.825 23.083 183 HA PRO 22 HA PRO 22 -6.897 6.610 26.711 184 HB2 PRO 22 HB2 PRO 22 -7.548 5.172 24.289 185 HB3 PRO 22 HB1 PRO 22 -8.550 5.352 25.735 186 HG2 PRO 22 HG2 PRO 22 -8.639 6.895 23.203 187 HG3 PRO 22 HG1 PRO 22 -9.932 6.601 24.389 188 HD2 PRO 22 HD2 PRO 22 -8.811 9.019 24.158 189 HD3 PRO 22 HD1 PRO 22 -9.271 8.385 25.751 190 H GLN 23 HN GLN 23 -4.977 5.868 26.951 191 HA GLN 23 HA GLN 23 -2.841 6.334 25.070 192 HB2 GLN 23 HB2 GLN 23 -2.926 4.966 27.757 193 HB3 GLN 23 HB1 GLN 23 -1.451 5.165 26.810 194 HG2 GLN 23 HG2 GLN 23 -1.770 7.594 26.796 195 HG3 GLN 23 HG1 GLN 23 -3.252 7.422 27.740 196 HE21 GLN 23 HE21 GLN 23 -2.755 8.095 29.836 197 HE22 GLN 23 HE22 GLN 23 -1.379 7.612 30.704 198 H GLN 24 HN GLN 24 -5.088 3.878 25.417 199 HA GLN 24 HA GLN 24 -3.302 1.798 24.281 200 HB2 GLN 24 HB2 GLN 24 -6.110 1.656 25.443 201 HB3 GLN 24 HB1 GLN 24 -5.259 0.293 24.717 202 HG2 GLN 24 HG2 GLN 24 -3.460 0.494 26.369 203 HG3 GLN 24 HG1 GLN 24 -4.249 1.901 27.074 204 HE21 GLN 24 HE21 GLN 24 -3.980 0.074 28.971 205 HE22 GLN 24 HE22 GLN 24 -5.379 -0.853 29.218 206 H ALA 25 HN ALA 25 -6.438 3.310 23.861 207 HA ALA 25 HA ALA 25 -6.996 2.215 21.312 208 HB1 ALA 25 HB1 ALA 25 -8.764 3.743 21.129 209 HB2 ALA 25 HB2 ALA 25 -7.912 5.002 22.014 210 HB3 ALA 25 HB3 ALA 25 -8.565 3.603 22.872 211 H ARG 26 HN ARG 26 -4.925 4.768 22.348 212 HA ARG 26 HA ARG 26 -4.566 6.199 19.998 213 HB2 ARG 26 HB2 ARG 26 -3.844 7.067 22.076 214 HB3 ARG 26 HB1 ARG 26 -2.837 5.659 22.398 215 HG2 ARG 26 HG2 ARG 26 -1.345 6.277 20.571 216 HG3 ARG 26 HG1 ARG 26 -2.398 7.624 20.144 217 HD2 ARG 26 HD2 ARG 26 -2.001 8.611 22.386 218 HD3 ARG 26 HD1 ARG 26 -0.896 7.297 22.761 219 HE ARG 26 HE ARG 26 -0.172 8.698 20.342 220 HH11 ARG 26 HH21 ARG 26 -0.053 8.721 23.795 221 HH12 ARG 26 HH22 ARG 26 1.350 9.732 23.881 222 HH21 ARG 26 HH11 ARG 26 1.685 10.028 20.450 223 HH22 ARG 26 HH12 ARG 26 2.336 10.467 21.994 224 H GLN 27 HN GLN 27 -2.585 3.465 21.294 225 HA GLN 27 HA GLN 27 -1.180 3.290 18.728 226 HB2 GLN 27 HB2 GLN 27 -0.794 1.953 21.398 227 HB3 GLN 27 HB1 GLN 27 0.165 1.561 19.971 228 HG2 GLN 27 HG2 GLN 27 0.891 3.906 19.796 229 HG3 GLN 27 HG1 GLN 27 -0.094 4.326 21.194 230 HE21 GLN 27 HE21 GLN 27 2.365 5.007 21.799 231 HE22 GLN 27 HE22 GLN 27 3.216 3.830 22.678 232 H ASN 28 HN ASN 28 -3.519 1.420 20.634 233 HA ASN 28 HA ASN 28 -3.278 -1.001 19.218 234 HB2 ASN 28 HB2 ASN 28 -5.558 0.276 20.696 235 HB3 ASN 28 HB1 ASN 28 -5.708 -1.316 19.958 236 HD21 ASN 28 HD21 ASN 28 -2.998 -2.246 20.519 237 HD22 ASN 28 HD22 ASN 28 -2.879 -2.445 22.201 238 H LEU 29 HN LEU 29 -5.539 1.684 18.709 239 HA LEU 29 HA LEU 29 -6.615 0.549 16.307 240 HB2 LEU 29 HB2 LEU 29 -6.770 3.454 17.114 241 HB3 LEU 29 HB1 LEU 29 -7.887 2.539 16.094 242 HG LEU 29 HG LEU 29 -7.347 2.064 19.007 243 HD11 LEU 29 HD11 LEU 29 -8.697 4.052 18.636 244 HD12 LEU 29 HD12 LEU 29 -9.734 2.770 19.255 245 HD13 LEU 29 HD13 LEU 29 -9.758 3.171 17.543 246 HD21 LEU 29 HD21 LEU 29 -7.876 -0.071 18.168 247 HD22 LEU 29 HD22 LEU 29 -8.979 0.572 16.950 248 HD23 LEU 29 HD23 LEU 29 -9.457 0.539 18.646 249 H GLN 30 HN GLN 30 -4.143 3.031 17.065 250 HA GLN 30 HA GLN 30 -3.799 3.683 14.290 251 HB2 GLN 30 HB2 GLN 30 -1.976 4.184 16.635 252 HB3 GLN 30 HB1 GLN 30 -1.785 4.881 15.034 253 HG2 GLN 30 HG2 GLN 30 -4.320 5.213 16.655 254 HG3 GLN 30 HG1 GLN 30 -2.998 6.382 16.687 255 HE21 GLN 30 HE21 GLN 30 -5.936 5.871 15.245 256 HE22 GLN 30 HE22 GLN 30 -5.671 6.673 13.773 257 H ASN 31 HN ASN 31 -2.393 1.275 16.420 258 HA ASN 31 HA ASN 31 -0.127 0.705 14.816 259 HB2 ASN 31 HB2 ASN 31 -0.109 -0.061 17.090 260 HB3 ASN 31 HB1 ASN 31 -1.575 -1.011 16.842 261 HD21 ASN 31 HD21 ASN 31 0.220 -2.654 17.759 262 HD22 ASN 31 HD22 ASN 31 1.076 -3.501 16.562 263 H LEU 32 HN LEU 32 -3.366 -0.685 14.938 264 HA LEU 32 HA LEU 32 -2.915 -2.668 12.996 265 HB2 LEU 32 HB2 LEU 32 -5.444 -1.254 13.848 266 HB3 LEU 32 HB1 LEU 32 -5.415 -2.631 12.748 267 HG LEU 32 HG LEU 32 -4.266 -2.675 15.556 268 HD11 LEU 32 HD11 LEU 32 -6.658 -2.306 15.685 269 HD12 LEU 32 HD12 LEU 32 -6.325 -3.986 16.102 270 HD13 LEU 32 HD13 LEU 32 -6.959 -3.583 14.507 271 HD21 LEU 32 HD21 LEU 32 -4.637 -4.740 13.365 272 HD22 LEU 32 HD22 LEU 32 -4.692 -5.250 15.052 273 HD23 LEU 32 HD23 LEU 32 -3.250 -4.474 14.420 274 H PHE 33 HN PHE 33 -4.230 0.612 12.798 275 HA PHE 33 HA PHE 33 -4.636 0.592 9.997 276 HB2 PHE 33 HB2 PHE 33 -5.741 2.241 11.402 277 HB3 PHE 33 HB1 PHE 33 -4.177 2.918 11.882 278 HD1 PHE 33 HD1 PHE 33 -6.317 2.235 8.887 279 HD2 PHE 33 HD2 PHE 33 -3.143 4.592 10.565 280 HE1 PHE 33 HE1 PHE 33 -6.331 3.684 6.875 281 HE2 PHE 33 HE2 PHE 33 -3.157 6.044 8.553 282 HZ PHE 33 HZ PHE 33 -4.750 5.587 6.710 283 H ILE 34 HN ILE 34 -2.027 1.962 11.953 284 HA ILE 34 HA ILE 34 -0.423 2.792 9.776 285 HB ILE 34 HB ILE 34 0.352 2.091 12.618 286 HG12 ILE 34 HG12 ILE 34 0.160 4.801 11.275 287 HG13 ILE 34 HG11 ILE 34 -1.211 4.077 12.109 288 HG21 ILE 34 HG21 ILE 34 2.372 1.878 11.413 289 HG22 ILE 34 HG22 ILE 34 2.400 3.544 11.981 290 HG23 ILE 34 HG23 ILE 34 1.961 3.189 10.309 291 HD11 ILE 34 HD3 ILE 34 0.169 3.883 14.165 292 HD12 ILE 34 HD1 ILE 34 -0.006 5.557 13.640 293 HD13 ILE 34 HD2 ILE 34 1.496 4.686 13.325 294 H ASN 35 HN ASN 35 -0.364 -0.240 11.688 295 HA ASN 35 HA ASN 35 1.812 -1.348 10.263 296 HB2 ASN 35 HB2 ASN 35 1.091 -2.165 12.497 297 HB3 ASN 35 HB1 ASN 35 -0.375 -2.804 11.754 298 HD21 ASN 35 HD21 ASN 35 0.281 -5.007 12.337 299 HD22 ASN 35 HD22 ASN 35 1.511 -5.800 11.475 300 H PHE 36 HN PHE 36 -1.702 -1.825 10.052 301 HA PHE 36 HA PHE 36 -1.544 -3.558 7.841 302 HB2 PHE 36 HB2 PHE 36 -3.478 -3.360 9.398 303 HB3 PHE 36 HB1 PHE 36 -3.894 -1.844 8.597 304 HD1 PHE 36 HD1 PHE 36 -3.065 -5.418 7.773 305 HD2 PHE 36 HD2 PHE 36 -5.360 -1.923 6.763 306 HE1 PHE 36 HE1 PHE 36 -4.235 -6.695 5.993 307 HE2 PHE 36 HE2 PHE 36 -6.524 -3.205 4.988 308 HZ PHE 36 HZ PHE 36 -5.964 -5.587 4.603 309 H ALA 37 HN ALA 37 -1.750 -0.064 8.042 310 HA ALA 37 HA ALA 37 -2.345 0.295 5.264 311 HB1 ALA 37 HB1 ALA 37 -2.972 2.014 6.900 312 HB2 ALA 37 HB2 ALA 37 -1.873 2.668 5.687 313 HB3 ALA 37 HB3 ALA 37 -1.270 2.268 7.290 314 H LEU 38 HN LEU 38 0.537 0.187 7.246 315 HA LEU 38 HA LEU 38 2.321 1.187 5.281 316 HB2 LEU 38 HB2 LEU 38 2.700 -0.450 7.765 317 HB3 LEU 38 HB1 LEU 38 4.063 -0.187 6.692 318 HG LEU 38 HG LEU 38 2.378 2.096 7.765 319 HD11 LEU 38 HD11 LEU 38 3.389 0.776 9.628 320 HD12 LEU 38 HD12 LEU 38 4.052 2.404 9.508 321 HD13 LEU 38 HD13 LEU 38 4.977 1.030 8.907 322 HD21 LEU 38 HD21 LEU 38 5.030 1.864 6.313 323 HD22 LEU 38 HD22 LEU 38 4.716 3.254 7.344 324 HD23 LEU 38 HD23 LEU 38 3.673 2.931 5.969 325 H ILE 39 HN ILE 39 1.128 -2.064 5.958 326 HA ILE 39 HA ILE 39 2.923 -3.385 4.171 327 HB ILE 39 HB ILE 39 0.163 -4.159 5.161 328 HG12 ILE 39 HG12 ILE 39 1.835 -4.063 6.954 329 HG13 ILE 39 HG11 ILE 39 1.428 -5.738 6.611 330 HG21 ILE 39 HG21 ILE 39 2.166 -5.678 3.487 331 HG22 ILE 39 HG22 ILE 39 0.458 -5.386 3.154 332 HG23 ILE 39 HG23 ILE 39 0.929 -6.494 4.443 333 HD11 ILE 39 HD3 ILE 39 3.739 -5.894 6.685 334 HD12 ILE 39 HD1 ILE 39 3.973 -4.253 6.097 335 HD13 ILE 39 HD2 ILE 39 3.542 -5.538 4.972 336 H LEU 40 HN LEU 40 -0.337 -2.064 3.850 337 HA LEU 40 HA LEU 40 -0.613 -2.773 1.085 338 HB2 LEU 40 HB2 LEU 40 -2.107 -0.790 2.797 339 HB3 LEU 40 HB1 LEU 40 -2.559 -1.196 1.147 340 HG LEU 40 HG LEU 40 -2.279 -3.246 3.364 341 HD11 LEU 40 HD11 LEU 40 -4.087 -1.858 4.039 342 HD12 LEU 40 HD12 LEU 40 -4.845 -3.217 3.210 343 HD13 LEU 40 HD13 LEU 40 -4.670 -1.670 2.384 344 HD21 LEU 40 HD21 LEU 40 -2.173 -4.468 1.361 345 HD22 LEU 40 HD22 LEU 40 -3.175 -3.328 0.469 346 HD23 LEU 40 HD23 LEU 40 -3.912 -4.442 1.619 347 H ILE 41 HN ILE 41 0.051 0.300 2.721 348 HA ILE 41 HA ILE 41 0.374 1.824 0.383 349 HB ILE 41 HB ILE 41 1.401 2.202 3.194 350 HG12 ILE 41 HG12 ILE 41 -1.056 2.319 2.893 351 HG13 ILE 41 HG11 ILE 41 -0.395 3.888 3.320 352 HG21 ILE 41 HG21 ILE 41 2.918 3.446 1.916 353 HG22 ILE 41 HG22 ILE 41 1.700 4.624 2.402 354 HG23 ILE 41 HG23 ILE 41 1.681 3.952 0.773 355 HD11 ILE 41 HD3 ILE 41 -1.705 4.578 1.575 356 HD12 ILE 41 HD1 ILE 41 -1.720 2.991 0.821 357 HD13 ILE 41 HD2 ILE 41 -0.344 4.063 0.586 358 H PHE 42 HN PHE 42 2.827 0.156 2.404 359 HA PHE 42 HA PHE 42 5.055 0.993 0.926 360 HB2 PHE 42 HB2 PHE 42 5.209 -0.152 3.103 361 HB3 PHE 42 HB1 PHE 42 4.656 -1.647 2.342 362 HD1 PHE 42 HD1 PHE 42 7.338 0.931 2.264 363 HD2 PHE 42 HD2 PHE 42 6.164 -3.048 1.149 364 HE1 PHE 42 HE1 PHE 42 9.666 0.444 1.552 365 HE2 PHE 42 HE2 PHE 42 8.489 -3.535 0.438 366 HZ PHE 42 HZ PHE 42 10.238 -1.788 0.640 367 H LEU 43 HN LEU 43 3.045 -1.920 0.554 368 HA LEU 43 HA LEU 43 4.442 -2.981 -1.663 369 HB2 LEU 43 HB2 LEU 43 1.629 -3.405 -0.663 370 HB3 LEU 43 HB1 LEU 43 2.306 -4.297 -2.021 371 HG LEU 43 HG LEU 43 3.596 -4.203 0.726 372 HD11 LEU 43 HD11 LEU 43 1.799 -6.344 -0.450 373 HD12 LEU 43 HD12 LEU 43 1.337 -5.221 0.829 374 HD13 LEU 43 HD13 LEU 43 2.607 -6.413 1.115 375 HD21 LEU 43 HD21 LEU 43 4.134 -5.715 -1.845 376 HD22 LEU 43 HD22 LEU 43 4.536 -6.476 -0.307 377 HD23 LEU 43 HD23 LEU 43 5.277 -4.945 -0.746 378 H LEU 44 HN LEU 44 1.565 -0.917 -1.420 379 HA LEU 44 HA LEU 44 1.047 -0.820 -4.204 380 HB2 LEU 44 HB2 LEU 44 0.236 0.950 -1.911 381 HB3 LEU 44 HB1 LEU 44 -0.306 1.237 -3.561 382 HG LEU 44 HG LEU 44 -0.685 -1.431 -2.168 383 HD11 LEU 44 HD11 LEU 44 -2.619 0.906 -2.305 384 HD12 LEU 44 HD12 LEU 44 -1.791 0.338 -0.855 385 HD13 LEU 44 HD13 LEU 44 -2.978 -0.693 -1.652 386 HD21 LEU 44 HD21 LEU 44 -1.061 -1.739 -4.495 387 HD22 LEU 44 HD22 LEU 44 -1.773 -0.142 -4.696 388 HD23 LEU 44 HD23 LEU 44 -2.681 -1.416 -3.888 389 H LEU 45 HN LEU 45 2.990 1.224 -2.038 390 HA LEU 45 HA LEU 45 3.447 3.288 -3.901 391 HB2 LEU 45 HB2 LEU 45 4.909 2.373 -1.455 392 HB3 LEU 45 HB1 LEU 45 5.591 3.654 -2.446 393 HG LEU 45 HG LEU 45 2.791 3.713 -1.271 394 HD11 LEU 45 HD11 LEU 45 4.676 3.736 0.421 395 HD12 LEU 45 HD12 LEU 45 3.651 5.171 0.438 396 HD13 LEU 45 HD13 LEU 45 5.236 5.230 -0.329 397 HD21 LEU 45 HD21 LEU 45 3.358 6.313 -1.760 398 HD22 LEU 45 HD22 LEU 45 2.688 5.283 -3.012 399 HD23 LEU 45 HD23 LEU 45 4.420 5.601 -2.980 400 H ILE 46 HN ILE 46 5.256 0.294 -3.340 401 HA ILE 46 HA ILE 46 7.339 1.024 -5.152 402 HB ILE 46 HB ILE 46 7.778 -0.688 -3.514 403 HG12 ILE 46 HG12 ILE 46 7.633 -2.050 -6.212 404 HG13 ILE 46 HG11 ILE 46 8.833 -0.820 -5.818 405 HG21 ILE 46 HG21 ILE 46 5.649 -1.654 -3.140 406 HG22 ILE 46 HG22 ILE 46 6.634 -2.950 -3.811 407 HG23 ILE 46 HG23 ILE 46 5.464 -2.116 -4.827 408 HD11 ILE 46 HD3 ILE 46 9.726 -3.100 -5.443 409 HD12 ILE 46 HD1 ILE 46 8.421 -3.410 -4.298 410 HD13 ILE 46 HD2 ILE 46 9.639 -2.187 -3.936 411 H ALA 47 HN ALA 47 4.212 -0.500 -5.482 412 HA ALA 47 HA ALA 47 4.630 -1.327 -8.205 413 HB1 ALA 47 HB1 ALA 47 2.070 -1.057 -6.623 414 HB2 ALA 47 HB2 ALA 47 3.059 -2.511 -6.734 415 HB3 ALA 47 HB3 ALA 47 2.248 -1.886 -8.168 416 H ILE 48 HN ILE 48 2.664 1.257 -6.678 417 HA ILE 48 HA ILE 48 1.773 2.399 -9.103 418 HB ILE 48 HB ILE 48 2.052 3.569 -6.340 419 HG12 ILE 48 HG12 ILE 48 0.483 1.679 -6.498 420 HG13 ILE 48 HG11 ILE 48 -0.386 3.179 -6.226 421 HG21 ILE 48 HG21 ILE 48 0.838 4.708 -8.853 422 HG22 ILE 48 HG22 ILE 48 1.964 5.467 -7.730 423 HG23 ILE 48 HG23 ILE 48 0.286 5.212 -7.254 424 HD11 ILE 48 HD3 ILE 48 -0.482 3.125 -8.934 425 HD12 ILE 48 HD1 ILE 48 -1.686 2.329 -7.922 426 HD13 ILE 48 HD2 ILE 48 -0.361 1.400 -8.616 427 H ILE 49 HN ILE 49 4.519 3.326 -7.013 428 HA ILE 49 HA ILE 49 5.294 5.568 -8.557 429 HB ILE 49 HB ILE 49 6.891 3.773 -6.763 430 HG12 ILE 49 HG12 ILE 49 5.099 4.986 -5.591 431 HG13 ILE 49 HG11 ILE 49 6.664 5.640 -5.129 432 HG21 ILE 49 HG21 ILE 49 8.466 5.790 -6.672 433 HG22 ILE 49 HG22 ILE 49 7.637 6.367 -8.117 434 HG23 ILE 49 HG23 ILE 49 8.503 4.830 -8.151 435 HD11 ILE 49 HD3 ILE 49 5.523 7.612 -5.536 436 HD12 ILE 49 HD1 ILE 49 4.478 6.881 -6.748 437 HD13 ILE 49 HD2 ILE 49 6.131 7.321 -7.162 438 H VAL 50 HN VAL 50 6.339 2.201 -8.630 439 HA VAL 50 HA VAL 50 8.288 2.523 -10.648 440 HB VAL 50 HB VAL 50 6.640 0.123 -9.806 441 HG11 VAL 50 HG11 VAL 50 7.255 -0.338 -12.070 442 HG12 VAL 50 HG12 VAL 50 8.460 -1.155 -11.076 443 HG13 VAL 50 HG13 VAL 50 8.853 0.376 -11.855 444 HG21 VAL 50 HG21 VAL 50 9.606 0.618 -9.445 445 HG22 VAL 50 HG22 VAL 50 8.570 -0.504 -8.564 446 HG23 VAL 50 HG23 VAL 50 8.431 1.232 -8.280 447 H MET 51 HN MET 51 4.826 1.699 -10.755 448 HA MET 51 HA MET 51 4.660 1.391 -13.549 449 HB2 MET 51 HB2 MET 51 2.656 1.962 -11.373 450 HB3 MET 51 HB1 MET 51 2.165 1.894 -13.067 451 HG2 MET 51 HG2 MET 51 3.659 -0.330 -11.650 452 HG3 MET 51 HG1 MET 51 1.910 -0.287 -11.835 453 HE1 MET 51 HE1 MET 51 4.977 -1.797 -14.714 454 HE2 MET 51 HE2 MET 51 4.465 -2.401 -13.142 455 HE3 MET 51 HE3 MET 51 5.287 -0.848 -13.246 456 H LEU 52 HN LEU 52 4.531 4.258 -11.430 457 HA LEU 52 HA LEU 52 3.371 5.983 -13.335 458 HB2 LEU 52 HB2 LEU 52 5.086 6.413 -10.914 459 HB3 LEU 52 HB1 LEU 52 4.762 7.780 -11.973 460 HG LEU 52 HG LEU 52 2.582 6.019 -10.796 461 HD11 LEU 52 HD11 LEU 52 3.495 7.017 -8.880 462 HD12 LEU 52 HD12 LEU 52 2.235 8.160 -9.334 463 HD13 LEU 52 HD13 LEU 52 3.919 8.503 -9.726 464 HD21 LEU 52 HD21 LEU 52 1.529 7.141 -12.551 465 HD22 LEU 52 HD22 LEU 52 2.628 8.513 -12.501 466 HD23 LEU 52 HD23 LEU 52 1.346 8.368 -11.304 467 H LEU 53 HN LEU 53 6.740 5.023 -12.845 468 HA LEU 53 HA LEU 53 7.919 6.859 -14.596 469 HB2 LEU 53 HB2 LEU 53 8.761 3.988 -14.151 470 HB3 LEU 53 HB1 LEU 53 9.779 5.311 -14.716 471 HG LEU 53 HG LEU 53 8.423 5.169 -12.008 472 HD11 LEU 53 HD11 LEU 53 10.767 4.934 -11.178 473 HD12 LEU 53 HD12 LEU 53 11.316 4.810 -12.851 474 HD13 LEU 53 HD13 LEU 53 10.256 3.573 -12.176 475 HD21 LEU 53 HD21 LEU 53 10.119 7.262 -13.394 476 HD22 LEU 53 HD22 LEU 53 10.141 7.132 -11.634 477 HD23 LEU 53 HD23 LEU 53 8.634 7.477 -12.469 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -7.260 32.906 10.277 2 H2 ALA 1 HT2 ALA 1 -7.512 32.860 8.597 3 H3 ALA 1 HT3 ALA 1 -8.525 31.978 9.638 4 HA ALA 1 HA ALA 1 -8.304 34.929 9.744 5 HB1 ALA 1 HB1 ALA 1 -10.408 33.293 8.304 6 HB2 ALA 1 HB2 ALA 1 -9.077 34.121 7.494 7 HB3 ALA 1 HB3 ALA 1 -10.293 35.052 8.369 8 H MET 2 HN MET 2 -9.251 31.967 11.042 9 HA MET 2 HA MET 2 -11.184 33.265 12.913 10 HB2 MET 2 HB2 MET 2 -11.188 30.453 11.781 11 HB3 MET 2 HB1 MET 2 -12.229 31.000 13.098 12 HG2 MET 2 HG2 MET 2 -13.236 32.689 11.654 13 HG3 MET 2 HG1 MET 2 -12.136 32.262 10.346 14 HE1 MET 2 HE1 MET 2 -14.798 31.320 12.727 15 HE2 MET 2 HE2 MET 2 -14.152 29.690 12.859 16 HE3 MET 2 HE3 MET 2 -15.681 29.949 12.031 17 H GLU 3 HN GLU 3 -11.074 32.631 15.076 18 HA GLU 3 HA GLU 3 -8.475 32.046 16.047 19 HB2 GLU 3 HB2 GLU 3 -9.530 32.001 18.257 20 HB3 GLU 3 HB1 GLU 3 -10.111 33.375 17.319 21 HG2 GLU 3 HG2 GLU 3 -12.119 32.047 16.679 22 HG3 GLU 3 HG1 GLU 3 -11.552 30.736 17.704 23 H LYS 4 HN LYS 4 -11.354 30.068 15.554 24 HA LYS 4 HA LYS 4 -10.458 27.770 16.916 25 HB2 LYS 4 HB2 LYS 4 -12.393 28.092 14.632 26 HB3 LYS 4 HB1 LYS 4 -12.114 26.562 15.467 27 HG2 LYS 4 HG2 LYS 4 -12.758 27.596 17.603 28 HG3 LYS 4 HG1 LYS 4 -13.047 29.127 16.776 29 HD2 LYS 4 HD2 LYS 4 -14.771 28.062 15.383 30 HD3 LYS 4 HD1 LYS 4 -14.484 26.530 16.205 31 HE2 LYS 4 HE2 LYS 4 -15.151 27.535 18.352 32 HE3 LYS 4 HE1 LYS 4 -15.428 29.082 17.546 33 HZ1 LYS 4 HZ1 LYS 4 -17.108 28.027 16.172 34 HZ2 LYS 4 HZ2 LYS 4 -17.484 27.832 17.818 35 HZ3 LYS 4 HZ3 LYS 4 -16.836 26.537 16.929 36 H VAL 5 HN VAL 5 -10.107 28.824 13.588 37 HA VAL 5 HA VAL 5 -8.898 26.491 12.578 38 HB VAL 5 HB VAL 5 -8.691 29.363 11.674 39 HG11 VAL 5 HG11 VAL 5 -6.771 28.280 10.762 40 HG12 VAL 5 HG12 VAL 5 -7.983 28.238 9.482 41 HG13 VAL 5 HG13 VAL 5 -7.669 26.795 10.447 42 HG21 VAL 5 HG21 VAL 5 -10.929 28.107 11.654 43 HG22 VAL 5 HG22 VAL 5 -10.205 27.058 10.435 44 HG23 VAL 5 HG23 VAL 5 -10.399 28.782 10.114 45 H GLN 6 HN GLN 6 -7.512 29.450 13.928 46 HA GLN 6 HA GLN 6 -4.812 28.725 13.572 47 HB2 GLN 6 HB2 GLN 6 -6.076 30.562 15.610 48 HB3 GLN 6 HB1 GLN 6 -4.345 30.448 15.304 49 HG2 GLN 6 HG2 GLN 6 -6.396 31.146 13.190 50 HG3 GLN 6 HG1 GLN 6 -5.447 32.337 14.079 51 HE21 GLN 6 HE21 GLN 6 -5.482 30.997 11.132 52 HE22 GLN 6 HE22 GLN 6 -3.818 30.871 10.821 53 H TYR 7 HN TYR 7 -6.955 28.416 16.360 54 HA TYR 7 HA TYR 7 -5.091 27.171 18.072 55 HB2 TYR 7 HB2 TYR 7 -7.143 28.159 18.940 56 HB3 TYR 7 HB1 TYR 7 -8.106 27.003 18.014 57 HD1 TYR 7 HD1 TYR 7 -5.688 27.348 20.810 58 HD2 TYR 7 HD2 TYR 7 -8.433 24.755 18.762 59 HE1 TYR 7 HE1 TYR 7 -5.520 25.709 22.664 60 HE2 TYR 7 HE2 TYR 7 -8.266 23.110 20.622 61 HH TYR 7 HH TYR 7 -7.182 22.574 22.512 62 H LEU 8 HN LEU 8 -7.646 25.826 16.025 63 HA LEU 8 HA LEU 8 -7.273 23.133 16.558 64 HB2 LEU 8 HB2 LEU 8 -8.180 24.591 14.089 65 HB3 LEU 8 HB1 LEU 8 -8.064 22.835 14.094 66 HG LEU 8 HG LEU 8 -9.605 24.351 16.229 67 HD11 LEU 8 HD11 LEU 8 -10.576 24.996 14.089 68 HD12 LEU 8 HD12 LEU 8 -11.650 23.852 14.894 69 HD13 LEU 8 HD13 LEU 8 -10.627 23.311 13.565 70 HD21 LEU 8 HD21 LEU 8 -10.886 22.074 16.164 71 HD22 LEU 8 HD22 LEU 8 -9.299 22.091 16.904 72 HD23 LEU 8 HD23 LEU 8 -9.495 21.470 15.268 73 H THR 9 HN THR 9 -5.493 25.227 14.315 74 HA THR 9 HA THR 9 -3.960 23.220 13.058 75 HB THR 9 HB THR 9 -3.226 26.098 13.621 76 HG1 THR 9 HG1 THR 9 -4.161 24.998 11.201 77 HG21 THR 9 HG21 THR 9 -2.083 24.009 11.759 78 HG22 THR 9 HG22 THR 9 -1.237 24.872 13.046 79 HG23 THR 9 HG23 THR 9 -1.757 25.735 11.597 80 H ARG 10 HN ARG 10 -3.258 25.225 15.923 81 HA ARG 10 HA ARG 10 -0.713 24.143 16.451 82 HB2 ARG 10 HB2 ARG 10 -1.577 26.226 17.499 83 HB3 ARG 10 HB1 ARG 10 -2.706 25.255 18.444 84 HG2 ARG 10 HG2 ARG 10 -0.868 24.087 19.528 85 HG3 ARG 10 HG1 ARG 10 0.305 24.934 18.522 86 HD2 ARG 10 HD2 ARG 10 0.177 26.024 20.701 87 HD3 ARG 10 HD1 ARG 10 -0.483 27.099 19.472 88 HE ARG 10 HE ARG 10 -2.535 25.485 20.651 89 HH11 ARG 10 HH21 ARG 10 -0.461 28.215 21.142 90 HH12 ARG 10 HH22 ARG 10 -1.534 29.009 22.248 91 HH21 ARG 10 HH11 ARG 10 -3.946 26.517 22.102 92 HH22 ARG 10 HH12 ARG 10 -3.507 28.045 22.792 93 H SER 11 HN SER 11 -3.936 23.234 17.535 94 HA SER 11 HA SER 11 -3.044 21.087 19.190 95 HB2 SER 11 HB2 SER 11 -5.390 20.388 19.191 96 HB3 SER 11 HB1 SER 11 -5.281 22.120 19.435 97 HG SER 11 HG1 SER 11 -5.510 21.028 16.847 98 H ALA 12 HN ALA 12 -3.775 21.474 15.844 99 HA ALA 12 HA ALA 12 -4.188 18.851 15.021 100 HB1 ALA 12 HB1 ALA 12 -2.506 20.730 13.376 101 HB2 ALA 12 HB2 ALA 12 -4.239 20.978 13.575 102 HB3 ALA 12 HB3 ALA 12 -3.644 19.501 12.824 103 H ILE 13 HN ILE 13 -1.235 20.584 15.754 104 HA ILE 13 HA ILE 13 0.440 18.368 14.996 105 HB ILE 13 HB ILE 13 1.018 21.007 15.220 106 HG12 ILE 13 HG12 ILE 13 3.045 18.806 15.751 107 HG13 ILE 13 HG11 ILE 13 2.443 19.258 14.157 108 HG21 ILE 13 HG21 ILE 13 2.378 19.932 17.699 109 HG22 ILE 13 HG22 ILE 13 0.834 20.753 17.804 110 HG23 ILE 13 HG23 ILE 13 2.231 21.602 17.160 111 HD11 ILE 13 HD3 ILE 13 4.123 20.917 16.044 112 HD12 ILE 13 HD1 ILE 13 3.240 21.641 14.699 113 HD13 ILE 13 HD2 ILE 13 4.498 20.441 14.389 114 H ARG 14 HN ARG 14 -0.893 19.602 17.993 115 HA ARG 14 HA ARG 14 0.520 17.820 19.727 116 HB2 ARG 14 HB2 ARG 14 -0.607 19.882 20.527 117 HB3 ARG 14 HB1 ARG 14 -2.164 19.132 20.184 118 HG2 ARG 14 HG2 ARG 14 -1.739 17.360 21.791 119 HG3 ARG 14 HG1 ARG 14 -0.099 17.962 22.059 120 HD2 ARG 14 HD2 ARG 14 -1.543 18.755 23.866 121 HD3 ARG 14 HD1 ARG 14 -1.038 20.114 22.869 122 HE ARG 14 HE ARG 14 -3.521 19.051 21.951 123 HH11 ARG 14 HH21 ARG 14 -2.044 20.927 24.461 124 HH12 ARG 14 HH22 ARG 14 -3.468 21.853 24.797 125 HH21 ARG 14 HH11 ARG 14 -5.393 20.257 22.386 126 HH22 ARG 14 HH12 ARG 14 -5.369 21.476 23.618 127 H ARG 15 HN ARG 15 -2.632 17.712 18.246 128 HA ARG 15 HA ARG 15 -3.632 15.374 19.270 129 HB2 ARG 15 HB2 ARG 15 -3.968 16.750 16.605 130 HB3 ARG 15 HB1 ARG 15 -4.907 15.329 17.047 131 HG2 ARG 15 HG2 ARG 15 -5.839 16.443 18.964 132 HG3 ARG 15 HG1 ARG 15 -4.780 17.831 18.732 133 HD2 ARG 15 HD2 ARG 15 -7.003 18.342 17.863 134 HD3 ARG 15 HD1 ARG 15 -5.851 18.268 16.540 135 HE ARG 15 HE ARG 15 -7.065 15.720 16.945 136 HH11 ARG 15 HH21 ARG 15 -7.640 18.914 15.741 137 HH12 ARG 15 HH22 ARG 15 -8.853 18.417 14.607 138 HH21 ARG 15 HH11 ARG 15 -8.648 15.061 15.464 139 HH22 ARG 15 HH12 ARG 15 -9.422 16.232 14.449 140 H ALA 16 HN ALA 16 -1.323 15.920 16.661 141 HA ALA 16 HA ALA 16 -1.260 13.330 15.618 142 HB1 ALA 16 HB1 ALA 16 1.243 14.980 16.000 143 HB2 ALA 16 HB2 ALA 16 0.059 15.381 14.757 144 HB3 ALA 16 HB3 ALA 16 0.891 13.825 14.718 145 H SER 17 HN SER 17 -0.256 14.725 18.501 146 HA SER 17 HA SER 17 1.353 12.461 19.414 147 HB2 SER 17 HB2 SER 17 0.451 14.579 21.337 148 HB3 SER 17 HB1 SER 17 2.023 13.813 21.169 149 HG SER 17 HG1 SER 17 2.466 15.131 19.463 150 H THR 18 HN THR 18 -1.533 14.099 20.809 151 HA THR 18 HA THR 18 -2.577 11.465 21.644 152 HB THR 18 HB THR 18 -1.829 12.628 23.591 153 HG1 THR 18 HG1 THR 18 -4.149 13.314 24.330 154 HG21 THR 18 HG21 THR 18 -2.773 14.924 24.082 155 HG22 THR 18 HG22 THR 18 -3.330 14.968 22.408 156 HG23 THR 18 HG23 THR 18 -1.608 14.855 22.761 157 H ILE 19 HN ILE 19 -3.305 12.540 19.194 158 HA ILE 19 HA ILE 19 -5.577 14.109 18.934 159 HB ILE 19 HB ILE 19 -4.614 13.055 16.964 160 HG12 ILE 19 HG12 ILE 19 -7.327 13.460 17.311 161 HG13 ILE 19 HG11 ILE 19 -6.603 12.972 15.794 162 HG21 ILE 19 HG21 ILE 19 -4.937 10.622 16.563 163 HG22 ILE 19 HG22 ILE 19 -5.573 10.475 18.205 164 HG23 ILE 19 HG23 ILE 19 -3.906 10.994 17.945 165 HD11 ILE 19 HD3 ILE 19 -7.239 10.704 16.084 166 HD12 ILE 19 HD1 ILE 19 -8.639 11.627 16.630 167 HD13 ILE 19 HD2 ILE 19 -7.535 10.919 17.805 168 H GLU 20 HN GLU 20 -5.247 10.987 20.331 169 HA GLU 20 HA GLU 20 -8.090 11.023 21.171 170 HB2 GLU 20 HB2 GLU 20 -8.297 8.718 20.801 171 HB3 GLU 20 HB1 GLU 20 -7.370 9.240 19.409 172 HG2 GLU 20 HG2 GLU 20 -6.212 7.937 21.910 173 HG3 GLU 20 HG1 GLU 20 -6.461 7.174 20.355 174 H MET 21 HN MET 21 -8.277 11.263 23.208 175 HA MET 21 HA MET 21 -6.212 11.539 25.019 176 HB2 MET 21 HB2 MET 21 -8.651 10.443 26.319 177 HB3 MET 21 HB1 MET 21 -7.812 11.961 26.597 178 HG2 MET 21 HG2 MET 21 -9.701 11.382 24.303 179 HG3 MET 21 HG1 MET 21 -10.037 12.394 25.699 180 HE1 MET 21 HE1 MET 21 -9.947 14.910 25.450 181 HE2 MET 21 HE2 MET 21 -8.357 15.622 25.206 182 HE3 MET 21 HE3 MET 21 -8.559 14.346 26.403 183 HA PRO 22 HA PRO 22 -7.010 6.900 26.389 184 HB2 PRO 22 HB2 PRO 22 -7.326 5.887 23.598 185 HB3 PRO 22 HB1 PRO 22 -8.019 5.236 25.106 186 HG2 PRO 22 HG2 PRO 22 -9.548 6.609 23.451 187 HG3 PRO 22 HG1 PRO 22 -9.656 6.892 25.207 188 HD2 PRO 22 HD2 PRO 22 -8.339 8.580 23.121 189 HD3 PRO 22 HD1 PRO 22 -9.233 9.086 24.560 190 H GLN 23 HN GLN 23 -5.076 6.206 26.831 191 HA GLN 23 HA GLN 23 -2.791 6.866 25.182 192 HB2 GLN 23 HB2 GLN 23 -3.034 5.440 27.825 193 HB3 GLN 23 HB1 GLN 23 -1.494 5.790 27.033 194 HG2 GLN 23 HG2 GLN 23 -1.988 8.172 27.069 195 HG3 GLN 23 HG1 GLN 23 -3.563 7.855 27.790 196 HE21 GLN 23 HE21 GLN 23 -0.431 8.729 28.597 197 HE22 GLN 23 HE22 GLN 23 -0.418 8.221 30.215 198 H GLN 24 HN GLN 24 -4.801 4.093 25.524 199 HA GLN 24 HA GLN 24 -2.769 2.303 24.339 200 HB2 GLN 24 HB2 GLN 24 -5.490 1.764 25.571 201 HB3 GLN 24 HB1 GLN 24 -4.475 0.537 24.822 202 HG2 GLN 24 HG2 GLN 24 -2.685 0.977 26.417 203 HG3 GLN 24 HG1 GLN 24 -3.629 2.276 27.138 204 HE21 GLN 24 HE21 GLN 24 -2.692 -0.610 28.043 205 HE22 GLN 24 HE22 GLN 24 -4.096 -1.227 28.764 206 H ALA 25 HN ALA 25 -6.130 3.289 23.969 207 HA ALA 25 HA ALA 25 -6.616 2.088 21.486 208 HB1 ALA 25 HB1 ALA 25 -8.121 3.739 23.168 209 HB2 ALA 25 HB2 ALA 25 -8.667 3.123 21.615 210 HB3 ALA 25 HB3 ALA 25 -7.952 4.725 21.714 211 H ARG 26 HN ARG 26 -4.558 4.617 22.351 212 HA ARG 26 HA ARG 26 -4.440 6.095 19.982 213 HB2 ARG 26 HB2 ARG 26 -3.518 6.970 22.036 214 HB3 ARG 26 HB1 ARG 26 -2.448 5.589 22.196 215 HG2 ARG 26 HG2 ARG 26 -1.226 6.255 20.224 216 HG3 ARG 26 HG1 ARG 26 -2.353 7.570 19.927 217 HD2 ARG 26 HD2 ARG 26 -1.697 8.614 22.055 218 HD3 ARG 26 HD1 ARG 26 -0.596 7.279 22.369 219 HE ARG 26 HE ARG 26 -0.080 8.600 19.856 220 HH11 ARG 26 HH21 ARG 26 0.408 8.638 23.281 221 HH12 ARG 26 HH22 ARG 26 1.899 9.519 23.202 222 HH21 ARG 26 HH11 ARG 26 1.869 9.758 19.738 223 HH22 ARG 26 HH12 ARG 26 2.725 10.154 21.191 224 H GLN 27 HN GLN 27 -1.879 3.984 21.211 225 HA GLN 27 HA GLN 27 -0.861 3.518 18.604 226 HB2 GLN 27 HB2 GLN 27 0.556 3.526 20.607 227 HB3 GLN 27 HB1 GLN 27 -0.275 2.083 21.184 228 HG2 GLN 27 HG2 GLN 27 0.510 0.791 19.302 229 HG3 GLN 27 HG1 GLN 27 1.179 2.228 18.534 230 HE21 GLN 27 HE21 GLN 27 2.806 -0.066 19.182 231 HE22 GLN 27 HE22 GLN 27 3.909 0.403 20.384 232 H ASN 28 HN ASN 28 -3.038 1.649 20.693 233 HA ASN 28 HA ASN 28 -2.822 -0.793 19.327 234 HB2 ASN 28 HB2 ASN 28 -5.168 0.415 20.760 235 HB3 ASN 28 HB1 ASN 28 -5.128 -1.239 20.175 236 HD21 ASN 28 HD21 ASN 28 -2.001 -0.919 20.933 237 HD22 ASN 28 HD22 ASN 28 -2.034 -1.326 22.581 238 H LEU 29 HN LEU 29 -5.328 1.681 18.862 239 HA LEU 29 HA LEU 29 -6.443 0.462 16.549 240 HB2 LEU 29 HB2 LEU 29 -6.546 3.391 17.277 241 HB3 LEU 29 HB1 LEU 29 -7.702 2.493 16.290 242 HG LEU 29 HG LEU 29 -7.104 1.934 19.188 243 HD11 LEU 29 HD11 LEU 29 -9.509 2.835 19.450 244 HD12 LEU 29 HD12 LEU 29 -9.304 3.504 17.834 245 HD13 LEU 29 HD13 LEU 29 -8.248 4.029 19.140 246 HD21 LEU 29 HD21 LEU 29 -7.916 -0.088 18.274 247 HD22 LEU 29 HD22 LEU 29 -8.996 0.738 17.152 248 HD23 LEU 29 HD23 LEU 29 -9.387 0.672 18.870 249 H GLN 30 HN GLN 30 -4.022 2.942 17.091 250 HA GLN 30 HA GLN 30 -3.742 3.558 14.309 251 HB2 GLN 30 HB2 GLN 30 -1.927 4.143 16.639 252 HB3 GLN 30 HB1 GLN 30 -1.623 4.697 15.003 253 HG2 GLN 30 HG2 GLN 30 -4.189 5.277 16.492 254 HG3 GLN 30 HG1 GLN 30 -2.816 6.382 16.450 255 HE21 GLN 30 HE21 GLN 30 -5.725 6.093 15.067 256 HE22 GLN 30 HE22 GLN 30 -5.393 6.653 13.500 257 H ASN 31 HN ASN 31 -2.350 1.144 16.407 258 HA ASN 31 HA ASN 31 -0.084 0.539 14.824 259 HB2 ASN 31 HB2 ASN 31 -0.145 -0.337 17.054 260 HB3 ASN 31 HB1 ASN 31 -1.662 -1.180 16.740 261 HD21 ASN 31 HD21 ASN 31 -0.034 -2.999 17.588 262 HD22 ASN 31 HD22 ASN 31 0.803 -3.834 16.372 263 H LEU 32 HN LEU 32 -3.383 -0.678 14.834 264 HA LEU 32 HA LEU 32 -3.048 -2.627 12.825 265 HB2 LEU 32 HB2 LEU 32 -5.486 -1.101 13.720 266 HB3 LEU 32 HB1 LEU 32 -5.539 -2.441 12.578 267 HG LEU 32 HG LEU 32 -4.351 -2.661 15.361 268 HD11 LEU 32 HD11 LEU 32 -6.737 -2.101 15.521 269 HD12 LEU 32 HD12 LEU 32 -6.476 -3.788 15.973 270 HD13 LEU 32 HD13 LEU 32 -7.128 -3.392 14.383 271 HD21 LEU 32 HD21 LEU 32 -4.972 -4.623 13.130 272 HD22 LEU 32 HD22 LEU 32 -4.976 -5.176 14.802 273 HD23 LEU 32 HD23 LEU 32 -3.512 -4.494 14.111 274 H PHE 33 HN PHE 33 -4.171 0.728 12.728 275 HA PHE 33 HA PHE 33 -4.602 0.806 9.929 276 HB2 PHE 33 HB2 PHE 33 -5.576 2.482 11.408 277 HB3 PHE 33 HB1 PHE 33 -3.967 3.058 11.851 278 HD1 PHE 33 HD1 PHE 33 -6.277 2.600 8.957 279 HD2 PHE 33 HD2 PHE 33 -2.838 4.655 10.502 280 HE1 PHE 33 HE1 PHE 33 -6.270 4.093 6.976 281 HE2 PHE 33 HE2 PHE 33 -2.832 6.147 8.524 282 HZ PHE 33 HZ PHE 33 -4.551 5.866 6.757 283 H ILE 34 HN ILE 34 -1.919 1.908 11.933 284 HA ILE 34 HA ILE 34 -0.255 2.741 9.800 285 HB ILE 34 HB ILE 34 0.436 1.870 12.624 286 HG12 ILE 34 HG12 ILE 34 0.447 4.637 11.383 287 HG13 ILE 34 HG11 ILE 34 -0.978 3.967 12.183 288 HG21 ILE 34 HG21 ILE 34 2.431 1.564 11.359 289 HG22 ILE 34 HG22 ILE 34 2.587 3.146 12.118 290 HG23 ILE 34 HG23 ILE 34 2.147 3.024 10.410 291 HD11 ILE 34 HD3 ILE 34 0.384 3.594 14.231 292 HD12 ILE 34 HD1 ILE 34 0.308 5.299 13.782 293 HD13 ILE 34 HD2 ILE 34 1.758 4.354 13.430 294 H ASN 35 HN ASN 35 -0.416 -0.345 11.590 295 HA ASN 35 HA ASN 35 1.682 -1.568 10.133 296 HB2 ASN 35 HB2 ASN 35 0.912 -2.376 12.340 297 HB3 ASN 35 HB1 ASN 35 -0.606 -2.879 11.603 298 HD21 ASN 35 HD21 ASN 35 -0.115 -5.148 12.137 299 HD22 ASN 35 HD22 ASN 35 1.034 -6.018 11.240 300 H PHE 36 HN PHE 36 -1.851 -1.734 9.891 301 HA PHE 36 HA PHE 36 -1.843 -3.452 7.657 302 HB2 PHE 36 HB2 PHE 36 -3.757 -3.180 9.211 303 HB3 PHE 36 HB1 PHE 36 -4.050 -1.589 8.479 304 HD1 PHE 36 HD1 PHE 36 -3.605 -5.206 7.586 305 HD2 PHE 36 HD2 PHE 36 -5.408 -1.440 6.560 306 HE1 PHE 36 HE1 PHE 36 -4.859 -6.308 5.763 307 HE2 PHE 36 HE2 PHE 36 -6.668 -2.546 4.724 308 HZ PHE 36 HZ PHE 36 -6.389 -4.981 4.330 309 H ALA 37 HN ALA 37 -1.812 0.055 7.911 310 HA ALA 37 HA ALA 37 -2.399 0.482 5.143 311 HB1 ALA 37 HB1 ALA 37 -1.766 2.805 5.602 312 HB2 ALA 37 HB2 ALA 37 -1.147 2.335 7.181 313 HB3 ALA 37 HB3 ALA 37 -2.875 2.209 6.836 314 H LEU 38 HN LEU 38 0.480 0.113 7.101 315 HA LEU 38 HA LEU 38 2.331 1.005 5.158 316 HB2 LEU 38 HB2 LEU 38 2.555 -0.700 7.620 317 HB3 LEU 38 HB1 LEU 38 3.943 -0.527 6.559 318 HG LEU 38 HG LEU 38 2.437 1.878 7.636 319 HD11 LEU 38 HD11 LEU 38 3.294 0.444 9.507 320 HD12 LEU 38 HD12 LEU 38 4.060 2.026 9.430 321 HD13 LEU 38 HD13 LEU 38 4.913 0.605 8.832 322 HD21 LEU 38 HD21 LEU 38 5.129 1.434 6.297 323 HD22 LEU 38 HD22 LEU 38 4.843 2.858 7.291 324 HD23 LEU 38 HD23 LEU 38 3.861 2.577 5.866 325 H ILE 39 HN ILE 39 0.859 -2.152 5.776 326 HA ILE 39 HA ILE 39 2.555 -3.592 3.977 327 HB ILE 39 HB ILE 39 -0.264 -4.138 4.957 328 HG12 ILE 39 HG12 ILE 39 1.438 -4.203 6.723 329 HG13 ILE 39 HG11 ILE 39 0.855 -5.821 6.393 330 HG21 ILE 39 HG21 ILE 39 1.592 -5.798 3.251 331 HG22 ILE 39 HG22 ILE 39 -0.081 -5.349 2.918 332 HG23 ILE 39 HG23 ILE 39 0.284 -6.517 4.188 333 HD11 ILE 39 HD3 ILE 39 3.120 -6.252 6.424 334 HD12 ILE 39 HD1 ILE 39 3.545 -4.625 5.903 335 HD13 ILE 39 HD2 ILE 39 2.980 -5.809 4.726 336 H LEU 40 HN LEU 40 -0.581 -1.989 3.662 337 HA LEU 40 HA LEU 40 -0.891 -2.647 0.888 338 HB2 LEU 40 HB2 LEU 40 -2.276 -0.607 2.625 339 HB3 LEU 40 HB1 LEU 40 -2.716 -0.931 0.954 340 HG LEU 40 HG LEU 40 -2.651 -3.051 3.121 341 HD11 LEU 40 HD11 LEU 40 -4.881 -1.271 2.120 342 HD12 LEU 40 HD12 LEU 40 -4.377 -1.575 3.783 343 HD13 LEU 40 HD13 LEU 40 -5.211 -2.833 2.872 344 HD21 LEU 40 HD21 LEU 40 -2.560 -4.242 1.089 345 HD22 LEU 40 HD22 LEU 40 -3.452 -3.010 0.200 346 HD23 LEU 40 HD23 LEU 40 -4.303 -4.096 1.294 347 H ILE 41 HN ILE 41 -0.006 0.354 2.568 348 HA ILE 41 HA ILE 41 0.400 1.893 0.251 349 HB ILE 41 HB ILE 41 1.495 2.120 3.051 350 HG12 ILE 41 HG12 ILE 41 -0.953 2.453 2.806 351 HG13 ILE 41 HG11 ILE 41 -0.149 3.946 3.254 352 HG21 ILE 41 HG21 ILE 41 3.096 3.266 1.788 353 HG22 ILE 41 HG22 ILE 41 1.985 4.522 2.321 354 HG23 ILE 41 HG23 ILE 41 1.894 3.906 0.675 355 HD11 ILE 41 HD3 ILE 41 -0.129 4.247 0.562 356 HD12 ILE 41 HD1 ILE 41 -1.483 4.753 1.568 357 HD13 ILE 41 HD2 ILE 41 -1.540 3.211 0.721 358 H PHE 42 HN PHE 42 2.743 0.010 2.206 359 HA PHE 42 HA PHE 42 5.009 0.693 0.709 360 HB2 PHE 42 HB2 PHE 42 5.131 -0.483 2.863 361 HB3 PHE 42 HB1 PHE 42 4.427 -1.921 2.119 362 HD1 PHE 42 HD1 PHE 42 7.301 0.444 1.872 363 HD2 PHE 42 HD2 PHE 42 5.791 -3.472 0.969 364 HE1 PHE 42 HE1 PHE 42 9.554 -0.241 1.088 365 HE2 PHE 42 HE2 PHE 42 8.042 -4.158 0.185 366 HZ PHE 42 HZ PHE 42 9.923 -2.540 0.246 367 H LEU 43 HN LEU 43 2.768 -2.047 0.310 368 HA LEU 43 HA LEU 43 4.049 -3.155 -1.955 369 HB2 LEU 43 HB2 LEU 43 1.225 -3.373 -0.924 370 HB3 LEU 43 HB1 LEU 43 1.817 -4.291 -2.304 371 HG LEU 43 HG LEU 43 3.137 -4.355 0.432 372 HD11 LEU 43 HD11 LEU 43 1.179 -6.344 -0.766 373 HD12 LEU 43 HD12 LEU 43 0.788 -5.190 0.509 374 HD13 LEU 43 HD13 LEU 43 1.963 -6.470 0.809 375 HD21 LEU 43 HD21 LEU 43 3.508 -5.864 -2.171 376 HD22 LEU 43 HD22 LEU 43 3.886 -6.666 -0.650 377 HD23 LEU 43 HD23 LEU 43 4.730 -5.190 -1.094 378 H LEU 44 HN LEU 44 1.337 -0.863 -1.630 379 HA LEU 44 HA LEU 44 0.806 -0.714 -4.398 380 HB2 LEU 44 HB2 LEU 44 0.202 1.136 -2.101 381 HB3 LEU 44 HB1 LEU 44 -0.325 1.469 -3.746 382 HG LEU 44 HG LEU 44 -0.947 -1.143 -2.328 383 HD11 LEU 44 HD11 LEU 44 -2.665 1.349 -2.521 384 HD12 LEU 44 HD12 LEU 44 -1.890 0.753 -1.054 385 HD13 LEU 44 HD13 LEU 44 -3.159 -0.195 -1.831 386 HD21 LEU 44 HD21 LEU 44 -2.936 -0.925 -4.077 387 HD22 LEU 44 HD22 LEU 44 -1.369 -1.491 -4.630 388 HD23 LEU 44 HD23 LEU 44 -1.842 0.181 -4.903 389 H LEU 45 HN LEU 45 2.930 1.134 -2.257 390 HA LEU 45 HA LEU 45 3.604 3.145 -4.091 391 HB2 LEU 45 HB2 LEU 45 4.982 2.033 -1.673 392 HB3 LEU 45 HB1 LEU 45 5.764 3.270 -2.647 393 HG LEU 45 HG LEU 45 2.985 3.562 -1.449 394 HD11 LEU 45 HD11 LEU 45 4.853 3.363 0.245 395 HD12 LEU 45 HD12 LEU 45 3.988 4.897 0.292 396 HD13 LEU 45 HD13 LEU 45 5.576 4.804 -0.472 397 HD21 LEU 45 HD21 LEU 45 3.799 6.099 -1.875 398 HD22 LEU 45 HD22 LEU 45 3.026 5.173 -3.146 399 HD23 LEU 45 HD23 LEU 45 4.781 5.328 -3.120 400 H ILE 46 HN ILE 46 5.086 -0.048 -3.601 401 HA ILE 46 HA ILE 46 7.243 0.498 -5.367 402 HB ILE 46 HB ILE 46 6.857 -1.527 -3.658 403 HG12 ILE 46 HG12 ILE 46 8.362 -1.847 -6.279 404 HG13 ILE 46 HG11 ILE 46 8.972 -1.030 -4.839 405 HG21 ILE 46 HG21 ILE 46 6.249 -2.962 -6.243 406 HG22 ILE 46 HG22 ILE 46 4.964 -2.408 -5.187 407 HG23 ILE 46 HG23 ILE 46 6.139 -3.567 -4.592 408 HD11 ILE 46 HD3 ILE 46 8.546 -3.216 -3.588 409 HD12 ILE 46 HD1 ILE 46 9.878 -3.229 -4.742 410 HD13 ILE 46 HD2 ILE 46 8.333 -3.962 -5.171 411 H ALA 47 HN ALA 47 3.983 -0.717 -5.809 412 HA ALA 47 HA ALA 47 4.158 -1.520 -8.501 413 HB1 ALA 47 HB1 ALA 47 2.249 -1.906 -6.869 414 HB2 ALA 47 HB2 ALA 47 1.788 -1.488 -8.519 415 HB3 ALA 47 HB3 ALA 47 1.722 -0.269 -7.247 416 H ILE 48 HN ILE 48 3.139 1.652 -7.146 417 HA ILE 48 HA ILE 48 2.741 2.891 -9.662 418 HB ILE 48 HB ILE 48 3.449 4.210 -7.041 419 HG12 ILE 48 HG12 ILE 48 1.480 2.794 -6.749 420 HG13 ILE 48 HG11 ILE 48 0.971 4.478 -6.800 421 HG21 ILE 48 HG21 ILE 48 2.200 5.224 -9.600 422 HG22 ILE 48 HG22 ILE 48 3.687 5.774 -8.830 423 HG23 ILE 48 HG23 ILE 48 2.128 6.107 -8.076 424 HD11 ILE 48 HD3 ILE 48 -0.579 3.451 -8.215 425 HD12 ILE 48 HD1 ILE 48 0.606 2.325 -8.869 426 HD13 ILE 48 HD2 ILE 48 0.625 4.016 -9.367 427 H ILE 49 HN ILE 49 5.574 2.876 -7.499 428 HA ILE 49 HA ILE 49 7.143 4.650 -9.040 429 HB ILE 49 HB ILE 49 7.919 2.422 -7.190 430 HG12 ILE 49 HG12 ILE 49 6.690 4.276 -6.119 431 HG13 ILE 49 HG11 ILE 49 8.365 4.255 -5.578 432 HG21 ILE 49 HG21 ILE 49 9.639 4.462 -8.592 433 HG22 ILE 49 HG22 ILE 49 9.853 2.714 -8.507 434 HG23 ILE 49 HG23 ILE 49 10.146 3.706 -7.080 435 HD11 ILE 49 HD3 ILE 49 6.915 6.253 -7.239 436 HD12 ILE 49 HD1 ILE 49 8.601 5.970 -7.669 437 HD13 ILE 49 HD2 ILE 49 8.184 6.497 -6.044 438 H VAL 50 HN VAL 50 6.883 1.130 -9.067 439 HA VAL 50 HA VAL 50 8.839 0.702 -11.062 440 HB VAL 50 HB VAL 50 6.434 -0.937 -10.201 441 HG11 VAL 50 HG11 VAL 50 6.837 -1.615 -12.455 442 HG12 VAL 50 HG12 VAL 50 7.679 -2.799 -11.457 443 HG13 VAL 50 HG13 VAL 50 8.585 -1.515 -12.255 444 HG21 VAL 50 HG21 VAL 50 9.386 -1.530 -9.839 445 HG22 VAL 50 HG22 VAL 50 8.017 -2.214 -8.964 446 HG23 VAL 50 HG23 VAL 50 8.494 -0.543 -8.680 447 H MET 51 HN MET 51 5.313 1.151 -11.188 448 HA MET 51 HA MET 51 5.035 0.910 -13.980 449 HB2 MET 51 HB2 MET 51 3.371 2.182 -11.811 450 HB3 MET 51 HB1 MET 51 2.885 2.247 -13.502 451 HG2 MET 51 HG2 MET 51 3.516 -0.327 -12.042 452 HG3 MET 51 HG1 MET 51 1.891 0.323 -12.214 453 HE1 MET 51 HE1 MET 51 4.176 -2.220 -15.086 454 HE2 MET 51 HE2 MET 51 3.528 -2.571 -13.487 455 HE3 MET 51 HE3 MET 51 4.840 -1.409 -13.656 456 H LEU 52 HN LEU 52 5.928 3.649 -11.872 457 HA LEU 52 HA LEU 52 5.437 5.662 -13.785 458 HB2 LEU 52 HB2 LEU 52 7.179 5.496 -11.353 459 HB3 LEU 52 HB1 LEU 52 7.367 6.875 -12.432 460 HG LEU 52 HG LEU 52 4.690 6.020 -11.259 461 HD11 LEU 52 HD11 LEU 52 5.107 8.115 -9.796 462 HD12 LEU 52 HD12 LEU 52 6.804 7.908 -10.215 463 HD13 LEU 52 HD13 LEU 52 5.946 6.630 -9.357 464 HD21 LEU 52 HD21 LEU 52 4.142 7.435 -13.057 465 HD22 LEU 52 HD22 LEU 52 5.650 8.336 -12.955 466 HD23 LEU 52 HD23 LEU 52 4.365 8.641 -11.793 467 H LEU 53 HN LEU 53 8.272 3.599 -13.297 468 HA LEU 53 HA LEU 53 9.633 4.886 -15.553 469 HB2 LEU 53 HB2 LEU 53 10.589 2.680 -13.715 470 HB3 LEU 53 HB1 LEU 53 11.567 3.588 -14.868 471 HG LEU 53 HG LEU 53 10.127 4.767 -12.470 472 HD11 LEU 53 HD11 LEU 53 12.558 5.200 -11.766 473 HD12 LEU 53 HD12 LEU 53 13.006 4.018 -12.996 474 HD13 LEU 53 HD13 LEU 53 11.976 3.540 -11.645 475 HD21 LEU 53 HD21 LEU 53 11.755 5.965 -14.727 476 HD22 LEU 53 HD22 LEU 53 11.737 6.747 -13.146 477 HD23 LEU 53 HD23 LEU 53 10.235 6.535 -14.036 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -13.028 -32.762 10.199 2 H2 ALA 1 HT2 ALA 1 -12.588 -31.315 9.427 3 H3 ALA 1 HT3 ALA 1 -13.707 -32.367 8.697 4 HA ALA 1 HA ALA 1 -14.364 -30.210 10.151 5 HB1 ALA 1 HB1 ALA 1 -16.617 -31.360 10.321 6 HB2 ALA 1 HB2 ALA 1 -15.841 -32.801 9.672 7 HB3 ALA 1 HB3 ALA 1 -15.919 -31.330 8.701 8 H MET 2 HN MET 2 -14.546 -29.629 12.218 9 HA MET 2 HA MET 2 -14.514 -31.721 14.347 10 HB2 MET 2 HB2 MET 2 -13.078 -29.046 14.346 11 HB3 MET 2 HB1 MET 2 -13.145 -30.175 15.697 12 HG2 MET 2 HG2 MET 2 -11.990 -30.804 12.973 13 HG3 MET 2 HG1 MET 2 -11.039 -30.379 14.390 14 HE1 MET 2 HE1 MET 2 -10.960 -31.470 16.450 15 HE2 MET 2 HE2 MET 2 -11.175 -33.188 16.756 16 HE3 MET 2 HE3 MET 2 -12.561 -32.112 16.871 17 H GLU 3 HN GLU 3 -15.710 -31.254 16.199 18 HA GLU 3 HA GLU 3 -18.088 -29.770 15.787 19 HB2 GLU 3 HB2 GLU 3 -17.928 -31.719 17.309 20 HB3 GLU 3 HB1 GLU 3 -16.926 -30.760 18.401 21 HG2 GLU 3 HG2 GLU 3 -18.748 -29.146 18.696 22 HG3 GLU 3 HG1 GLU 3 -19.746 -30.042 17.556 23 H LYS 4 HN LYS 4 -14.994 -28.962 17.196 24 HA LYS 4 HA LYS 4 -15.760 -26.672 18.664 25 HB2 LYS 4 HB2 LYS 4 -13.136 -27.408 17.355 26 HB3 LYS 4 HB1 LYS 4 -13.352 -26.021 18.418 27 HG2 LYS 4 HG2 LYS 4 -14.125 -27.513 20.224 28 HG3 LYS 4 HG1 LYS 4 -13.898 -28.903 19.164 29 HD2 LYS 4 HD2 LYS 4 -11.498 -28.375 18.969 30 HD3 LYS 4 HD1 LYS 4 -11.723 -26.985 20.034 31 HE2 LYS 4 HE2 LYS 4 -12.476 -28.480 21.837 32 HE3 LYS 4 HE1 LYS 4 -12.252 -29.874 20.781 33 HZ1 LYS 4 HZ1 LYS 4 -10.378 -28.968 22.431 34 HZ2 LYS 4 HZ2 LYS 4 -9.977 -28.086 21.033 35 HZ3 LYS 4 HZ3 LYS 4 -10.026 -29.787 20.990 36 H VAL 5 HN VAL 5 -15.753 -27.212 15.315 37 HA VAL 5 HA VAL 5 -15.000 -24.672 14.354 38 HB VAL 5 HB VAL 5 -16.881 -26.736 13.200 39 HG11 VAL 5 HG11 VAL 5 -17.447 -24.665 12.142 40 HG12 VAL 5 HG12 VAL 5 -16.343 -25.475 11.032 41 HG13 VAL 5 HG13 VAL 5 -15.758 -24.162 12.055 42 HG21 VAL 5 HG21 VAL 5 -14.444 -27.331 13.541 43 HG22 VAL 5 HG22 VAL 5 -14.035 -26.021 12.434 44 HG23 VAL 5 HG23 VAL 5 -14.984 -27.396 11.866 45 H GLN 6 HN GLN 6 -18.112 -26.002 15.318 46 HA GLN 6 HA GLN 6 -19.686 -23.762 14.660 47 HB2 GLN 6 HB2 GLN 6 -20.132 -25.841 16.807 48 HB3 GLN 6 HB1 GLN 6 -21.354 -24.728 16.192 49 HG2 GLN 6 HG2 GLN 6 -19.857 -26.746 14.497 50 HG3 GLN 6 HG1 GLN 6 -21.490 -26.981 15.120 51 HE21 GLN 6 HE21 GLN 6 -20.022 -26.226 12.304 52 HE22 GLN 6 HE22 GLN 6 -21.150 -25.141 11.652 53 H TYR 7 HN TYR 7 -17.981 -24.645 17.615 54 HA TYR 7 HA TYR 7 -18.941 -22.566 19.250 55 HB2 TYR 7 HB2 TYR 7 -17.734 -24.454 20.194 56 HB3 TYR 7 HB1 TYR 7 -16.277 -24.001 19.306 57 HD1 TYR 7 HD2 TYR 7 -18.583 -23.017 22.041 58 HD2 TYR 7 HD1 TYR 7 -14.880 -22.175 20.024 59 HE1 TYR 7 HE2 TYR 7 -17.932 -21.483 23.872 60 HE2 TYR 7 HE1 TYR 7 -14.232 -20.641 21.861 61 HH TYR 7 HH TYR 7 -14.738 -20.198 24.145 62 H LEU 8 HN LEU 8 -16.026 -22.770 17.231 63 HA LEU 8 HA LEU 8 -14.951 -20.248 17.759 64 HB2 LEU 8 HB2 LEU 8 -14.901 -21.904 15.234 65 HB3 LEU 8 HB1 LEU 8 -13.959 -20.433 15.432 66 HG LEU 8 HG LEU 8 -13.796 -22.794 17.327 67 HD11 LEU 8 HD11 LEU 8 -12.033 -22.078 14.965 68 HD12 LEU 8 HD12 LEU 8 -13.087 -23.487 15.090 69 HD13 LEU 8 HD13 LEU 8 -11.678 -23.339 16.144 70 HD21 LEU 8 HD21 LEU 8 -12.300 -20.175 17.032 71 HD22 LEU 8 HD22 LEU 8 -11.448 -21.580 17.677 72 HD23 LEU 8 HD23 LEU 8 -12.877 -20.971 18.492 73 H THR 9 HN THR 9 -17.492 -21.199 15.481 74 HA THR 9 HA THR 9 -17.751 -18.716 14.170 75 HB THR 9 HB THR 9 -20.010 -20.642 14.762 76 HG1 THR 9 HG1 THR 9 -19.184 -21.950 13.334 77 HG21 THR 9 HG21 THR 9 -20.558 -18.425 13.752 78 HG22 THR 9 HG22 THR 9 -20.937 -19.784 12.697 79 HG23 THR 9 HG23 THR 9 -19.490 -18.818 12.405 80 H ARG 10 HN ARG 10 -19.343 -20.050 17.037 81 HA ARG 10 HA ARG 10 -21.005 -17.852 17.594 82 HB2 ARG 10 HB2 ARG 10 -19.728 -19.845 19.483 83 HB3 ARG 10 HB1 ARG 10 -20.991 -18.711 19.951 84 HG2 ARG 10 HG2 ARG 10 -21.416 -20.581 17.622 85 HG3 ARG 10 HG1 ARG 10 -21.662 -21.145 19.271 86 HD2 ARG 10 HD2 ARG 10 -23.252 -19.246 19.634 87 HD3 ARG 10 HD1 ARG 10 -23.082 -18.809 17.942 88 HE ARG 10 HE ARG 10 -24.486 -21.147 19.013 89 HH11 ARG 10 HH21 ARG 10 -23.191 -19.464 16.260 90 HH12 ARG 10 HH22 ARG 10 -24.180 -20.302 15.113 91 HH21 ARG 10 HH11 ARG 10 -25.778 -22.240 17.509 92 HH22 ARG 10 HH12 ARG 10 -25.643 -21.877 15.823 93 H SER 11 HN SER 11 -17.700 -18.610 18.519 94 HA SER 11 HA SER 11 -17.324 -16.296 20.155 95 HB2 SER 11 HB2 SER 11 -15.877 -18.287 20.335 96 HB3 SER 11 HB1 SER 11 -15.267 -17.995 18.710 97 HG SER 11 HG1 SER 11 -14.248 -16.199 19.423 98 H ALA 12 HN ALA 12 -17.468 -16.812 16.786 99 HA ALA 12 HA ALA 12 -15.779 -14.691 15.951 100 HB1 ALA 12 HB1 ALA 12 -16.646 -16.681 14.544 101 HB2 ALA 12 HB2 ALA 12 -16.522 -15.102 13.768 102 HB3 ALA 12 HB3 ALA 12 -18.089 -15.692 14.309 103 H ILE 13 HN ILE 13 -19.186 -15.009 16.667 104 HA ILE 13 HA ILE 13 -19.787 -12.313 15.850 105 HB ILE 13 HB ILE 13 -21.363 -14.476 16.096 106 HG12 ILE 13 HG12 ILE 13 -22.103 -12.443 14.996 107 HG13 ILE 13 HG11 ILE 13 -23.343 -12.917 16.149 108 HG21 ILE 13 HG21 ILE 13 -21.060 -14.394 18.647 109 HG22 ILE 13 HG22 ILE 13 -22.704 -14.540 18.042 110 HG23 ILE 13 HG23 ILE 13 -22.112 -12.983 18.611 111 HD11 ILE 13 HD3 ILE 13 -21.358 -10.660 16.345 112 HD12 ILE 13 HD1 ILE 13 -22.113 -11.322 17.796 113 HD13 ILE 13 HD2 ILE 13 -23.109 -10.611 16.524 114 H ARG 14 HN ARG 14 -18.960 -13.907 18.859 115 HA ARG 14 HA ARG 14 -19.593 -11.692 20.563 116 HB2 ARG 14 HB2 ARG 14 -19.523 -14.025 21.370 117 HB3 ARG 14 HB1 ARG 14 -17.780 -14.039 21.103 118 HG2 ARG 14 HG2 ARG 14 -17.499 -12.192 22.716 119 HG3 ARG 14 HG1 ARG 14 -19.248 -12.148 22.969 120 HD2 ARG 14 HD2 ARG 14 -19.149 -14.525 23.726 121 HD3 ARG 14 HD1 ARG 14 -17.400 -14.464 23.590 122 HE ARG 14 HE ARG 14 -17.320 -13.104 25.513 123 HH11 ARG 14 HH21 ARG 14 -20.563 -13.657 24.423 124 HH12 ARG 14 HH22 ARG 14 -21.297 -13.053 25.870 125 HH21 ARG 14 HH11 ARG 14 -18.281 -12.322 27.416 126 HH22 ARG 14 HH12 ARG 14 -20.009 -12.298 27.560 127 H ARG 15 HN ARG 15 -16.519 -12.942 19.332 128 HA ARG 15 HA ARG 15 -14.833 -11.117 20.565 129 HB2 ARG 15 HB2 ARG 15 -13.172 -11.720 18.948 130 HB3 ARG 15 HB1 ARG 15 -14.112 -13.164 19.307 131 HG2 ARG 15 HG2 ARG 15 -15.509 -12.663 17.285 132 HG3 ARG 15 HG1 ARG 15 -14.372 -11.380 16.875 133 HD2 ARG 15 HD2 ARG 15 -13.662 -14.300 17.226 134 HD3 ARG 15 HD1 ARG 15 -13.836 -13.471 15.681 135 HE ARG 15 HE ARG 15 -11.571 -13.323 17.445 136 HH11 ARG 15 HH21 ARG 15 -13.491 -11.633 15.111 137 HH12 ARG 15 HH22 ARG 15 -12.207 -10.589 14.611 138 HH21 ARG 15 HH11 ARG 15 -9.879 -11.945 16.790 139 HH22 ARG 15 HH12 ARG 15 -10.169 -10.762 15.560 140 H ALA 16 HN ALA 16 -16.778 -10.850 17.691 141 HA ALA 16 HA ALA 16 -15.626 -8.456 16.694 142 HB1 ALA 16 HB1 ALA 16 -18.454 -9.476 16.347 143 HB2 ALA 16 HB2 ALA 16 -17.090 -9.932 15.331 144 HB3 ALA 16 HB3 ALA 16 -17.662 -8.263 15.344 145 H SER 17 HN SER 17 -18.230 -9.200 18.908 146 HA SER 17 HA SER 17 -19.142 -6.534 19.266 147 HB2 SER 17 HB2 SER 17 -20.449 -7.388 21.064 148 HB3 SER 17 HB1 SER 17 -20.391 -8.657 19.848 149 HG SER 17 HG1 SER 17 -19.252 -9.851 21.181 150 H THR 18 HN THR 18 -17.253 -8.588 21.548 151 HA THR 18 HA THR 18 -16.497 -6.296 23.090 152 HB THR 18 HB THR 18 -16.888 -8.526 24.094 153 HG1 THR 18 HG1 THR 18 -14.530 -8.432 25.040 154 HG21 THR 18 HG21 THR 18 -14.239 -9.256 22.829 155 HG22 THR 18 HG22 THR 18 -15.805 -9.793 22.223 156 HG23 THR 18 HG23 THR 18 -15.265 -10.288 23.827 157 H ILE 19 HN ILE 19 -15.138 -7.983 20.421 158 HA ILE 19 HA ILE 19 -12.711 -8.121 19.898 159 HB ILE 19 HB ILE 19 -13.920 -7.194 18.050 160 HG12 ILE 19 HG12 ILE 19 -12.350 -5.654 17.048 161 HG13 ILE 19 HG11 ILE 19 -11.705 -5.173 18.619 162 HG21 ILE 19 HG21 ILE 19 -15.264 -5.604 19.431 163 HG22 ILE 19 HG22 ILE 19 -14.696 -4.947 17.899 164 HG23 ILE 19 HG23 ILE 19 -13.889 -4.497 19.400 165 HD11 ILE 19 HD3 ILE 19 -11.622 -8.038 17.643 166 HD12 ILE 19 HD1 ILE 19 -10.700 -7.314 18.961 167 HD13 ILE 19 HD2 ILE 19 -10.330 -6.888 17.288 168 H GLU 20 HN GLU 20 -10.983 -7.901 21.070 169 HA GLU 20 HA GLU 20 -10.153 -6.599 23.133 170 HB2 GLU 20 HB2 GLU 20 -8.647 -7.945 21.720 171 HB3 GLU 20 HB1 GLU 20 -8.447 -6.563 20.641 172 HG2 GLU 20 HG2 GLU 20 -7.502 -5.236 22.501 173 HG3 GLU 20 HG1 GLU 20 -7.733 -6.598 23.592 174 H MET 21 HN MET 21 -11.447 -4.673 23.372 175 HA MET 21 HA MET 21 -10.114 -2.265 22.316 176 HB2 MET 21 HB2 MET 21 -12.290 -1.220 21.977 177 HB3 MET 21 HB1 MET 21 -12.125 -2.672 20.998 178 HG2 MET 21 HG2 MET 21 -14.203 -3.188 21.869 179 HG3 MET 21 HG1 MET 21 -13.278 -3.740 23.263 180 HE1 MET 21 HE1 MET 21 -16.506 -1.939 24.620 181 HE2 MET 21 HE2 MET 21 -15.554 -3.421 24.679 182 HE3 MET 21 HE3 MET 21 -16.278 -2.916 23.154 183 HA PRO 22 HA PRO 22 -11.403 -2.372 26.985 184 HB2 PRO 22 HB2 PRO 22 -8.943 -2.851 28.128 185 HB3 PRO 22 HB1 PRO 22 -10.107 -4.135 27.730 186 HG2 PRO 22 HG2 PRO 22 -7.755 -3.184 26.132 187 HG3 PRO 22 HG1 PRO 22 -8.269 -4.847 26.496 188 HD2 PRO 22 HD2 PRO 22 -8.824 -3.758 24.123 189 HD3 PRO 22 HD1 PRO 22 -10.013 -4.804 24.938 190 H GLN 23 HN GLN 23 -8.325 -1.195 25.579 191 HA GLN 23 HA GLN 23 -8.981 1.535 26.285 192 HB2 GLN 23 HB2 GLN 23 -6.647 0.128 27.601 193 HB3 GLN 23 HB1 GLN 23 -6.874 1.875 27.573 194 HG2 GLN 23 HG2 GLN 23 -9.140 1.470 28.680 195 HG3 GLN 23 HG1 GLN 23 -8.612 -0.194 28.937 196 HE21 GLN 23 HE21 GLN 23 -8.643 2.839 30.397 197 HE22 GLN 23 HE22 GLN 23 -7.368 2.601 31.495 198 H GLN 24 HN GLN 24 -6.480 -0.771 25.263 199 HA GLN 24 HA GLN 24 -5.009 1.149 23.759 200 HB2 GLN 24 HB2 GLN 24 -4.979 -1.875 23.750 201 HB3 GLN 24 HB1 GLN 24 -3.858 -0.867 22.831 202 HG2 GLN 24 HG2 GLN 24 -3.040 0.174 24.855 203 HG3 GLN 24 HG1 GLN 24 -4.230 -0.686 25.827 204 HE21 GLN 24 HE21 GLN 24 -1.009 -0.779 25.031 205 HE22 GLN 24 HE22 GLN 24 -0.726 -2.444 25.204 206 H ALA 25 HN ALA 25 -8.018 0.400 23.303 207 HA ALA 25 HA ALA 25 -8.282 -0.649 20.714 208 HB1 ALA 25 HB1 ALA 25 -10.041 0.023 22.627 209 HB2 ALA 25 HB2 ALA 25 -10.530 -0.104 20.942 210 HB3 ALA 25 HB3 ALA 25 -10.198 1.475 21.647 211 H ARG 26 HN ARG 26 -7.619 2.521 21.963 212 HA ARG 26 HA ARG 26 -8.017 4.053 19.632 213 HB2 ARG 26 HB2 ARG 26 -6.185 4.437 21.999 214 HB3 ARG 26 HB1 ARG 26 -6.388 5.648 20.724 215 HG2 ARG 26 HG2 ARG 26 -8.786 5.762 21.160 216 HG3 ARG 26 HG1 ARG 26 -8.656 4.487 22.370 217 HD2 ARG 26 HD2 ARG 26 -7.209 7.137 22.543 218 HD3 ARG 26 HD1 ARG 26 -8.738 6.796 23.341 219 HE ARG 26 HE ARG 26 -6.119 5.827 24.132 220 HH11 ARG 26 HH21 ARG 26 -9.547 5.392 24.242 221 HH12 ARG 26 HH22 ARG 26 -9.526 4.484 25.718 222 HH21 ARG 26 HH11 ARG 26 -6.083 4.635 26.084 223 HH22 ARG 26 HH12 ARG 26 -7.572 4.062 26.757 224 H GLN 27 HN GLN 27 -4.923 2.681 20.880 225 HA GLN 27 HA GLN 27 -3.600 3.341 18.360 226 HB2 GLN 27 HB2 GLN 27 -2.636 2.013 20.896 227 HB3 GLN 27 HB1 GLN 27 -1.622 2.288 19.478 228 HG2 GLN 27 HG2 GLN 27 -2.037 4.705 19.617 229 HG3 GLN 27 HG1 GLN 27 -3.097 4.449 21.004 230 HE21 GLN 27 HE21 GLN 27 -0.206 5.705 20.539 231 HE22 GLN 27 HE22 GLN 27 0.661 5.080 21.855 232 H ASN 28 HN ASN 28 -4.930 0.507 19.961 233 HA ASN 28 HA ASN 28 -3.660 -1.448 18.376 234 HB2 ASN 28 HB2 ASN 28 -4.849 -2.006 20.449 235 HB3 ASN 28 HB1 ASN 28 -6.374 -1.552 19.695 236 HD21 ASN 28 HD21 ASN 28 -6.065 -4.182 20.655 237 HD22 ASN 28 HD22 ASN 28 -5.969 -5.249 19.337 238 H LEU 29 HN LEU 29 -6.746 0.212 18.011 239 HA LEU 29 HA LEU 29 -7.479 -1.076 15.594 240 HB2 LEU 29 HB2 LEU 29 -8.384 1.543 16.805 241 HB3 LEU 29 HB1 LEU 29 -9.103 0.815 15.377 242 HG LEU 29 HG LEU 29 -8.916 -0.581 18.062 243 HD11 LEU 29 HD11 LEU 29 -10.346 1.401 18.250 244 HD12 LEU 29 HD12 LEU 29 -11.341 -0.057 18.258 245 HD13 LEU 29 HD13 LEU 29 -11.235 0.927 16.800 246 HD21 LEU 29 HD21 LEU 29 -9.243 -2.300 16.485 247 HD22 LEU 29 HD22 LEU 29 -10.141 -1.267 15.379 248 HD23 LEU 29 HD23 LEU 29 -10.914 -1.870 16.842 249 H GLN 30 HN GLN 30 -5.810 2.000 16.368 250 HA GLN 30 HA GLN 30 -5.658 2.781 13.646 251 HB2 GLN 30 HB2 GLN 30 -4.209 3.690 16.123 252 HB3 GLN 30 HB1 GLN 30 -3.970 4.421 14.534 253 HG2 GLN 30 HG2 GLN 30 -6.325 5.002 14.390 254 HG3 GLN 30 HG1 GLN 30 -6.654 4.168 15.907 255 HE21 GLN 30 HE21 GLN 30 -7.462 6.603 16.274 256 HE22 GLN 30 HE22 GLN 30 -6.314 7.621 17.002 257 H ASN 31 HN ASN 31 -3.641 0.850 15.760 258 HA ASN 31 HA ASN 31 -1.261 0.965 14.268 259 HB2 ASN 31 HB2 ASN 31 -2.412 -1.078 16.164 260 HB3 ASN 31 HB1 ASN 31 -0.874 -1.373 15.341 261 HD21 ASN 31 HD21 ASN 31 0.187 1.281 15.376 262 HD22 ASN 31 HD22 ASN 31 0.479 1.721 16.990 263 H LEU 32 HN LEU 32 -4.041 -1.175 14.054 264 HA LEU 32 HA LEU 32 -3.034 -2.858 12.043 265 HB2 LEU 32 HB2 LEU 32 -5.883 -2.115 12.732 266 HB3 LEU 32 HB1 LEU 32 -5.446 -3.398 11.615 267 HG LEU 32 HG LEU 32 -4.494 -3.306 14.491 268 HD11 LEU 32 HD11 LEU 32 -7.006 -3.451 14.292 269 HD12 LEU 32 HD12 LEU 32 -6.264 -4.860 15.049 270 HD13 LEU 32 HD13 LEU 32 -6.786 -4.937 13.366 271 HD21 LEU 32 HD21 LEU 32 -4.387 -5.359 12.261 272 HD22 LEU 32 HD22 LEU 32 -4.319 -5.874 13.944 273 HD23 LEU 32 HD23 LEU 32 -3.081 -4.804 13.304 274 H PHE 33 HN PHE 33 -4.969 0.075 12.000 275 HA PHE 33 HA PHE 33 -5.337 0.241 9.208 276 HB2 PHE 33 HB2 PHE 33 -6.598 1.588 10.870 277 HB3 PHE 33 HB1 PHE 33 -5.130 2.508 11.203 278 HD1 PHE 33 HD1 PHE 33 -7.450 1.521 8.452 279 HD2 PHE 33 HD2 PHE 33 -4.534 4.347 9.851 280 HE1 PHE 33 HE1 PHE 33 -7.940 2.989 6.508 281 HE2 PHE 33 HE2 PHE 33 -5.024 5.814 7.906 282 HZ PHE 33 HZ PHE 33 -6.727 5.134 6.235 283 H ILE 34 HN ILE 34 -2.908 1.711 11.324 284 HA ILE 34 HA ILE 34 -1.437 3.003 9.265 285 HB ILE 34 HB ILE 34 -0.604 2.098 12.028 286 HG12 ILE 34 HG12 ILE 34 -1.157 4.885 10.983 287 HG13 ILE 34 HG11 ILE 34 -2.419 3.886 11.706 288 HG21 ILE 34 HG21 ILE 34 1.440 2.296 10.812 289 HG22 ILE 34 HG22 ILE 34 1.248 3.847 11.635 290 HG23 ILE 34 HG23 ILE 34 0.858 3.701 9.923 291 HD11 ILE 34 HD3 ILE 34 -1.116 3.693 13.772 292 HD12 ILE 34 HD1 ILE 34 -1.391 5.389 13.378 293 HD13 ILE 34 HD2 ILE 34 0.183 4.652 13.063 294 H ASN 35 HN ASN 35 -0.966 -0.109 10.921 295 HA ASN 35 HA ASN 35 1.338 -0.864 9.469 296 HB2 ASN 35 HB2 ASN 35 -0.720 -2.439 11.013 297 HB3 ASN 35 HB1 ASN 35 0.632 -3.217 10.198 298 HD21 ASN 35 HD21 ASN 35 0.368 -3.307 13.044 299 HD22 ASN 35 HD22 ASN 35 1.637 -2.403 13.718 300 H PHE 36 HN PHE 36 -2.096 -1.356 9.080 301 HA PHE 36 HA PHE 36 -1.935 -3.042 6.817 302 HB2 PHE 36 HB2 PHE 36 -4.007 -2.968 8.053 303 HB3 PHE 36 HB1 PHE 36 -4.185 -1.245 7.720 304 HD1 PHE 36 HD1 PHE 36 -3.975 -4.595 6.084 305 HD2 PHE 36 HD2 PHE 36 -5.257 -0.507 5.748 306 HE1 PHE 36 HE1 PHE 36 -5.160 -5.138 3.975 307 HE2 PHE 36 HE2 PHE 36 -6.442 -1.048 3.641 308 HZ PHE 36 HZ PHE 36 -6.396 -3.360 2.752 309 H ALA 37 HN ALA 37 -1.764 0.463 7.132 310 HA ALA 37 HA ALA 37 -2.226 0.948 4.354 311 HB1 ALA 37 HB1 ALA 37 -0.924 2.816 6.325 312 HB2 ALA 37 HB2 ALA 37 -2.670 2.563 6.288 313 HB3 ALA 37 HB3 ALA 37 -1.841 3.217 4.876 314 H LEU 38 HN LEU 38 0.531 0.553 6.512 315 HA LEU 38 HA LEU 38 2.541 1.428 4.766 316 HB2 LEU 38 HB2 LEU 38 2.529 -0.428 7.127 317 HB3 LEU 38 HB1 LEU 38 4.014 -0.099 6.246 318 HG LEU 38 HG LEU 38 2.245 2.093 7.374 319 HD11 LEU 38 HD11 LEU 38 4.098 2.172 9.167 320 HD12 LEU 38 HD12 LEU 38 4.511 0.542 8.642 321 HD13 LEU 38 HD13 LEU 38 2.907 0.877 9.297 322 HD21 LEU 38 HD21 LEU 38 4.641 3.235 7.302 323 HD22 LEU 38 HD22 LEU 38 3.708 3.116 5.822 324 HD23 LEU 38 HD23 LEU 38 5.009 1.972 6.128 325 H ILE 39 HN ILE 39 1.178 -1.838 5.222 326 HA ILE 39 HA ILE 39 3.030 -3.027 3.404 327 HB ILE 39 HB ILE 39 1.772 -4.345 5.088 328 HG12 ILE 39 HG12 ILE 39 1.112 -5.220 2.260 329 HG13 ILE 39 HG11 ILE 39 2.722 -5.351 2.967 330 HG21 ILE 39 HG21 ILE 39 -0.608 -3.879 3.277 331 HG22 ILE 39 HG22 ILE 39 -0.373 -3.135 4.854 332 HG23 ILE 39 HG23 ILE 39 -0.572 -4.878 4.728 333 HD11 ILE 39 HD3 ILE 39 1.526 -7.477 3.233 334 HD12 ILE 39 HD1 ILE 39 0.197 -6.643 4.043 335 HD13 ILE 39 HD2 ILE 39 1.783 -6.731 4.810 336 H LEU 40 HN LEU 40 -0.210 -1.641 3.121 337 HA LEU 40 HA LEU 40 -0.606 -2.328 0.398 338 HB2 LEU 40 HB2 LEU 40 -2.462 -1.646 1.836 339 HB3 LEU 40 HB1 LEU 40 -1.749 -0.052 2.025 340 HG LEU 40 HG LEU 40 -2.029 0.387 -0.379 341 HD11 LEU 40 HD11 LEU 40 -3.556 -1.371 -1.598 342 HD12 LEU 40 HD12 LEU 40 -2.934 -2.490 -0.386 343 HD13 LEU 40 HD13 LEU 40 -1.822 -1.669 -1.485 344 HD21 LEU 40 HD21 LEU 40 -4.494 -0.629 1.072 345 HD22 LEU 40 HD22 LEU 40 -4.562 0.309 -0.419 346 HD23 LEU 40 HD23 LEU 40 -3.887 1.027 1.041 347 H ILE 41 HN ILE 41 0.479 0.678 1.924 348 HA ILE 41 HA ILE 41 0.971 2.045 -0.503 349 HB ILE 41 HB ILE 41 0.846 2.971 1.969 350 HG12 ILE 41 HG12 ILE 41 2.764 4.229 -0.032 351 HG13 ILE 41 HG11 ILE 41 1.006 4.339 -0.142 352 HG21 ILE 41 HG21 ILE 41 3.037 1.726 2.527 353 HG22 ILE 41 HG22 ILE 41 2.904 3.393 3.065 354 HG23 ILE 41 HG23 ILE 41 3.855 2.999 1.628 355 HD11 ILE 41 HD3 ILE 41 1.794 6.345 0.942 356 HD12 ILE 41 HD1 ILE 41 2.767 5.406 2.074 357 HD13 ILE 41 HD2 ILE 41 1.007 5.348 2.173 358 H PHE 42 HN PHE 42 3.245 0.163 1.511 359 HA PHE 42 HA PHE 42 5.572 0.703 0.056 360 HB2 PHE 42 HB2 PHE 42 5.530 -0.466 2.225 361 HB3 PHE 42 HB1 PHE 42 4.800 -1.873 1.450 362 HD1 PHE 42 HD2 PHE 42 7.768 0.398 1.199 363 HD2 PHE 42 HD1 PHE 42 6.187 -3.541 0.535 364 HE1 PHE 42 HE2 PHE 42 10.028 -0.407 0.553 365 HE2 PHE 42 HE1 PHE 42 8.445 -4.339 -0.109 366 HZ PHE 42 HZ PHE 42 10.356 -2.773 -0.098 367 H LEU 43 HN LEU 43 3.184 -1.872 -0.410 368 HA LEU 43 HA LEU 43 4.443 -3.147 -2.584 369 HB2 LEU 43 HB2 LEU 43 1.564 -3.010 -1.728 370 HB3 LEU 43 HB1 LEU 43 2.110 -4.024 -3.060 371 HG LEU 43 HG LEU 43 3.235 -4.166 -0.248 372 HD11 LEU 43 HD11 LEU 43 1.849 -6.155 0.051 373 HD12 LEU 43 HD12 LEU 43 1.181 -5.972 -1.572 374 HD13 LEU 43 HD13 LEU 43 0.824 -4.770 -0.327 375 HD21 LEU 43 HD21 LEU 43 3.811 -6.576 -1.289 376 HD22 LEU 43 HD22 LEU 43 4.864 -5.198 -1.583 377 HD23 LEU 43 HD23 LEU 43 3.709 -5.694 -2.817 378 H LEU 44 HN LEU 44 2.129 -0.489 -2.444 379 HA LEU 44 HA LEU 44 1.700 -0.327 -5.249 380 HB2 LEU 44 HB2 LEU 44 1.347 1.707 -3.044 381 HB3 LEU 44 HB1 LEU 44 0.893 2.013 -4.718 382 HG LEU 44 HG LEU 44 -0.155 -0.346 -3.120 383 HD11 LEU 44 HD11 LEU 44 -2.227 1.019 -2.854 384 HD12 LEU 44 HD12 LEU 44 -1.370 2.396 -3.546 385 HD13 LEU 44 HD13 LEU 44 -0.840 1.711 -2.010 386 HD21 LEU 44 HD21 LEU 44 -0.797 0.873 -5.820 387 HD22 LEU 44 HD22 LEU 44 -2.042 -0.003 -4.939 388 HD23 LEU 44 HD23 LEU 44 -0.557 -0.820 -5.399 389 H LEU 45 HN LEU 45 4.085 1.144 -3.065 390 HA LEU 45 HA LEU 45 5.149 2.972 -4.926 391 HB2 LEU 45 HB2 LEU 45 6.399 1.617 -2.541 392 HB3 LEU 45 HB1 LEU 45 7.241 2.838 -3.490 393 HG LEU 45 HG LEU 45 4.544 3.283 -2.177 394 HD11 LEU 45 HD11 LEU 45 7.322 4.049 -1.232 395 HD12 LEU 45 HD12 LEU 45 6.247 2.885 -0.465 396 HD13 LEU 45 HD13 LEU 45 5.819 4.594 -0.484 397 HD21 LEU 45 HD21 LEU 45 5.486 5.766 -2.486 398 HD22 LEU 45 HD22 LEU 45 4.697 4.951 -3.823 399 HD23 LEU 45 HD23 LEU 45 6.456 5.016 -3.756 400 H ILE 46 HN ILE 46 5.928 -0.415 -4.300 401 HA ILE 46 HA ILE 46 8.192 -0.574 -5.965 402 HB ILE 46 HB ILE 46 6.137 -2.633 -5.124 403 HG12 ILE 46 HG12 ILE 46 9.008 -2.258 -4.229 404 HG13 ILE 46 HG11 ILE 46 7.642 -1.521 -3.391 405 HG21 ILE 46 HG21 ILE 46 8.718 -2.917 -6.661 406 HG22 ILE 46 HG22 ILE 46 7.115 -3.487 -7.121 407 HG23 ILE 46 HG23 ILE 46 7.979 -4.263 -5.792 408 HD11 ILE 46 HD3 ILE 46 7.757 -4.484 -3.955 409 HD12 ILE 46 HD1 ILE 46 6.721 -3.633 -2.813 410 HD13 ILE 46 HD2 ILE 46 8.448 -3.787 -2.492 411 H ALA 47 HN ALA 47 4.778 -1.060 -6.514 412 HA ALA 47 HA ALA 47 4.805 -1.927 -9.175 413 HB1 ALA 47 HB1 ALA 47 2.749 -0.068 -7.968 414 HB2 ALA 47 HB2 ALA 47 2.772 -1.812 -7.699 415 HB3 ALA 47 HB3 ALA 47 2.506 -1.171 -9.324 416 H ILE 48 HN ILE 48 4.708 1.366 -7.859 417 HA ILE 48 HA ILE 48 4.639 2.747 -10.311 418 HB ILE 48 HB ILE 48 5.698 3.549 -7.600 419 HG12 ILE 48 HG12 ILE 48 3.293 3.040 -7.666 420 HG13 ILE 48 HG11 ILE 48 3.559 4.759 -7.425 421 HG21 ILE 48 HG21 ILE 48 6.764 5.023 -9.157 422 HG22 ILE 48 HG22 ILE 48 5.397 5.899 -8.479 423 HG23 ILE 48 HG23 ILE 48 5.279 5.204 -10.092 424 HD11 ILE 48 HD3 ILE 48 2.377 3.323 -9.749 425 HD12 ILE 48 HD1 ILE 48 3.351 4.742 -10.129 426 HD13 ILE 48 HD2 ILE 48 1.955 4.889 -9.068 427 H ILE 49 HN ILE 49 7.367 1.734 -8.298 428 HA ILE 49 HA ILE 49 9.394 2.967 -9.835 429 HB ILE 49 HB ILE 49 9.487 0.517 -8.113 430 HG12 ILE 49 HG12 ILE 49 10.429 3.344 -7.559 431 HG13 ILE 49 HG11 ILE 49 8.849 2.742 -7.062 432 HG21 ILE 49 HG21 ILE 49 11.672 2.137 -9.426 433 HG22 ILE 49 HG22 ILE 49 11.398 0.399 -9.550 434 HG23 ILE 49 HG23 ILE 49 11.986 1.092 -8.038 435 HD11 ILE 49 HD3 ILE 49 9.880 1.021 -5.692 436 HD12 ILE 49 HD1 ILE 49 10.568 2.583 -5.254 437 HD13 ILE 49 HD2 ILE 49 11.480 1.467 -6.272 438 H VAL 50 HN VAL 50 7.966 -0.245 -9.991 439 HA VAL 50 HA VAL 50 9.637 -1.295 -11.999 440 HB VAL 50 HB VAL 50 6.774 -1.949 -11.253 441 HG11 VAL 50 HG11 VAL 50 8.667 -3.262 -13.220 442 HG12 VAL 50 HG12 VAL 50 7.027 -2.690 -13.523 443 HG13 VAL 50 HG13 VAL 50 7.294 -4.112 -12.515 444 HG21 VAL 50 HG21 VAL 50 9.390 -3.410 -10.762 445 HG22 VAL 50 HG22 VAL 50 7.804 -3.860 -10.133 446 HG23 VAL 50 HG23 VAL 50 8.591 -2.384 -9.572 447 H MET 51 HN MET 51 6.604 0.542 -12.196 448 HA MET 51 HA MET 51 6.373 0.367 -15.016 449 HB2 MET 51 HB2 MET 51 5.173 2.213 -12.961 450 HB3 MET 51 HB1 MET 51 4.898 2.479 -14.682 451 HG2 MET 51 HG2 MET 51 4.065 0.118 -14.866 452 HG3 MET 51 HG1 MET 51 4.206 -0.032 -13.116 453 HE1 MET 51 HE1 MET 51 3.065 2.974 -12.025 454 HE2 MET 51 HE2 MET 51 3.209 1.305 -11.482 455 HE3 MET 51 HE3 MET 51 1.620 2.053 -11.568 456 H LEU 52 HN LEU 52 8.289 2.478 -12.921 457 HA LEU 52 HA LEU 52 8.729 4.522 -14.848 458 HB2 LEU 52 HB2 LEU 52 10.046 3.648 -12.338 459 HB3 LEU 52 HB1 LEU 52 11.073 4.569 -13.419 460 HG LEU 52 HG LEU 52 9.732 6.494 -13.266 461 HD11 LEU 52 HD11 LEU 52 7.504 4.631 -12.655 462 HD12 LEU 52 HD12 LEU 52 7.506 6.088 -13.618 463 HD13 LEU 52 HD13 LEU 52 7.408 6.201 -11.867 464 HD21 LEU 52 HD21 LEU 52 9.425 5.233 -10.519 465 HD22 LEU 52 HD22 LEU 52 9.578 6.949 -10.896 466 HD23 LEU 52 HD23 LEU 52 10.943 5.868 -11.156 467 H LEU 53 HN LEU 53 10.362 1.422 -14.365 468 HA LEU 53 HA LEU 53 12.346 1.976 -16.361 469 HB2 LEU 53 HB2 LEU 53 11.521 -0.447 -14.772 470 HB3 LEU 53 HB1 LEU 53 12.618 -0.625 -16.139 471 HG LEU 53 HG LEU 53 14.139 1.043 -15.127 472 HD11 LEU 53 HD11 LEU 53 12.631 2.407 -13.860 473 HD12 LEU 53 HD12 LEU 53 13.685 1.618 -12.686 474 HD13 LEU 53 HD13 LEU 53 12.043 1.016 -12.945 475 HD21 LEU 53 HD21 LEU 53 13.345 -1.221 -13.267 476 HD22 LEU 53 HD22 LEU 53 14.901 -0.385 -13.254 477 HD23 LEU 53 HD23 LEU 53 14.433 -1.360 -14.648 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -22.005 -30.737 10.804 2 H2 ALA 1 HT2 ALA 1 -22.274 -29.735 9.456 3 H3 ALA 1 HT3 ALA 1 -23.279 -29.619 10.821 4 HA ALA 1 HA ALA 1 -20.517 -28.671 10.445 5 HB1 ALA 1 HB1 ALA 1 -23.060 -27.533 11.646 6 HB2 ALA 1 HB2 ALA 1 -22.300 -27.062 10.127 7 HB3 ALA 1 HB3 ALA 1 -21.505 -26.698 11.657 8 H MET 2 HN MET 2 -20.148 -27.396 12.816 9 HA MET 2 HA MET 2 -20.220 -29.519 14.900 10 HB2 MET 2 HB2 MET 2 -17.962 -29.132 13.737 11 HB3 MET 2 HB1 MET 2 -17.938 -27.567 14.545 12 HG2 MET 2 HG2 MET 2 -18.186 -28.714 16.735 13 HG3 MET 2 HG1 MET 2 -18.161 -30.272 15.913 14 HE1 MET 2 HE1 MET 2 -15.756 -29.908 13.616 15 HE2 MET 2 HE2 MET 2 -16.462 -31.190 14.591 16 HE3 MET 2 HE3 MET 2 -14.736 -30.875 14.698 17 H GLU 3 HN GLU 3 -20.123 -28.715 17.081 18 HA GLU 3 HA GLU 3 -21.869 -26.540 17.553 19 HB2 GLU 3 HB2 GLU 3 -21.570 -28.450 19.103 20 HB3 GLU 3 HB1 GLU 3 -19.958 -27.853 19.496 21 HG2 GLU 3 HG2 GLU 3 -20.908 -25.756 20.323 22 HG3 GLU 3 HG1 GLU 3 -22.531 -26.298 19.882 23 H LYS 4 HN LYS 4 -18.365 -26.823 17.483 24 HA LYS 4 HA LYS 4 -17.708 -24.385 18.709 25 HB2 LYS 4 HB2 LYS 4 -16.258 -26.013 16.625 26 HB3 LYS 4 HB1 LYS 4 -15.560 -24.597 17.410 27 HG2 LYS 4 HG2 LYS 4 -15.887 -25.655 19.616 28 HG3 LYS 4 HG1 LYS 4 -16.568 -27.080 18.827 29 HD2 LYS 4 HD2 LYS 4 -14.450 -27.442 17.623 30 HD3 LYS 4 HD1 LYS 4 -13.758 -26.016 18.401 31 HE2 LYS 4 HE2 LYS 4 -14.085 -27.048 20.612 32 HE3 LYS 4 HE1 LYS 4 -14.770 -28.484 19.847 33 HZ1 LYS 4 HZ1 LYS 4 -12.051 -27.815 20.238 34 HZ2 LYS 4 HZ2 LYS 4 -12.359 -27.981 18.574 35 HZ3 LYS 4 HZ3 LYS 4 -12.719 -29.254 19.644 36 H VAL 5 HN VAL 5 -18.477 -25.187 15.374 37 HA VAL 5 HA VAL 5 -17.839 -22.711 14.217 38 HB VAL 5 HB VAL 5 -19.873 -24.793 13.419 39 HG11 VAL 5 HG11 VAL 5 -20.554 -22.785 12.321 40 HG12 VAL 5 HG12 VAL 5 -19.594 -23.663 11.136 41 HG13 VAL 5 HG13 VAL 5 -18.888 -22.303 12.006 42 HG21 VAL 5 HG21 VAL 5 -18.176 -25.613 11.953 43 HG22 VAL 5 HG22 VAL 5 -17.378 -25.358 13.506 44 HG23 VAL 5 HG23 VAL 5 -17.170 -24.186 12.203 45 H GLN 6 HN GLN 6 -20.865 -23.929 15.562 46 HA GLN 6 HA GLN 6 -22.404 -21.620 15.016 47 HB2 GLN 6 HB2 GLN 6 -22.744 -23.824 17.047 48 HB3 GLN 6 HB1 GLN 6 -23.933 -22.542 16.800 49 HG2 GLN 6 HG2 GLN 6 -22.932 -24.323 14.569 50 HG3 GLN 6 HG1 GLN 6 -24.393 -24.656 15.491 51 HE21 GLN 6 HE21 GLN 6 -23.490 -23.358 12.609 52 HE22 GLN 6 HE22 GLN 6 -24.723 -22.210 12.407 53 H TYR 7 HN TYR 7 -20.602 -22.632 17.854 54 HA TYR 7 HA TYR 7 -21.319 -20.497 19.542 55 HB2 TYR 7 HB2 TYR 7 -20.245 -22.492 20.414 56 HB3 TYR 7 HB1 TYR 7 -18.794 -22.161 19.460 57 HD1 TYR 7 HD1 TYR 7 -20.976 -20.766 22.161 58 HD2 TYR 7 HD2 TYR 7 -17.104 -20.720 20.299 59 HE1 TYR 7 HE1 TYR 7 -20.101 -19.340 23.990 60 HE2 TYR 7 HE2 TYR 7 -16.234 -19.297 22.130 61 HH TYR 7 HH TYR 7 -18.385 -18.008 24.627 62 H LEU 8 HN LEU 8 -18.503 -20.940 17.424 63 HA LEU 8 HA LEU 8 -17.187 -18.547 17.901 64 HB2 LEU 8 HB2 LEU 8 -17.436 -20.263 15.440 65 HB3 LEU 8 HB1 LEU 8 -16.436 -18.822 15.434 66 HG LEU 8 HG LEU 8 -16.116 -20.954 17.559 67 HD11 LEU 8 HD11 LEU 8 -14.165 -21.738 16.093 68 HD12 LEU 8 HD12 LEU 8 -14.936 -20.847 14.780 69 HD13 LEU 8 HD13 LEU 8 -15.784 -22.182 15.553 70 HD21 LEU 8 HD21 LEU 8 -14.388 -18.689 16.488 71 HD22 LEU 8 HD22 LEU 8 -13.708 -20.003 17.435 72 HD23 LEU 8 HD23 LEU 8 -14.920 -18.950 18.149 73 H THR 9 HN THR 9 -19.889 -19.240 15.704 74 HA THR 9 HA THR 9 -19.980 -16.724 14.434 75 HB THR 9 HB THR 9 -22.228 -18.662 15.056 76 HG1 THR 9 HG1 THR 9 -20.767 -19.621 13.738 77 HG21 THR 9 HG21 THR 9 -23.227 -16.561 14.575 78 HG22 THR 9 HG22 THR 9 -23.285 -17.478 13.072 79 HG23 THR 9 HG23 THR 9 -22.069 -16.221 13.291 80 H ARG 10 HN ARG 10 -21.581 -17.948 17.352 81 HA ARG 10 HA ARG 10 -23.025 -15.597 17.936 82 HB2 ARG 10 HB2 ARG 10 -21.966 -17.792 19.726 83 HB3 ARG 10 HB1 ARG 10 -22.980 -16.481 20.326 84 HG2 ARG 10 HG2 ARG 10 -23.900 -18.132 17.973 85 HG3 ARG 10 HG1 ARG 10 -24.100 -18.749 19.611 86 HD2 ARG 10 HD2 ARG 10 -25.413 -16.785 20.231 87 HD3 ARG 10 HD1 ARG 10 -25.151 -16.061 18.654 88 HE ARG 10 HE ARG 10 -26.432 -18.694 18.682 89 HH11 ARG 10 HH21 ARG 10 -26.751 -15.238 18.511 90 HH12 ARG 10 HH22 ARG 10 -28.329 -15.288 17.799 91 HH21 ARG 10 HH11 ARG 10 -28.491 -18.752 17.750 92 HH22 ARG 10 HH12 ARG 10 -29.311 -17.278 17.371 93 H SER 11 HN SER 11 -19.808 -16.664 18.825 94 HA SER 11 HA SER 11 -19.189 -14.448 20.488 95 HB2 SER 11 HB2 SER 11 -17.896 -16.572 20.463 96 HB3 SER 11 HB1 SER 11 -17.295 -16.163 18.862 97 HG SER 11 HG1 SER 11 -15.885 -15.527 20.598 98 H ALA 12 HN ALA 12 -19.506 -14.827 17.115 99 HA ALA 12 HA ALA 12 -17.733 -12.729 16.317 100 HB1 ALA 12 HB1 ALA 12 -18.605 -14.724 14.896 101 HB2 ALA 12 HB2 ALA 12 -18.415 -13.153 14.122 102 HB3 ALA 12 HB3 ALA 12 -20.015 -13.700 14.616 103 H ILE 13 HN ILE 13 -21.201 -13.001 16.900 104 HA ILE 13 HA ILE 13 -21.719 -10.303 16.089 105 HB ILE 13 HB ILE 13 -23.384 -12.363 16.236 106 HG12 ILE 13 HG12 ILE 13 -24.223 -9.529 16.955 107 HG13 ILE 13 HG11 ILE 13 -23.953 -10.131 15.324 108 HG21 ILE 13 HG21 ILE 13 -23.035 -12.393 18.811 109 HG22 ILE 13 HG22 ILE 13 -24.672 -12.565 18.199 110 HG23 ILE 13 HG23 ILE 13 -24.127 -11.015 18.836 111 HD11 ILE 13 HD3 ILE 13 -26.164 -10.815 17.245 112 HD12 ILE 13 HD1 ILE 13 -25.727 -11.953 15.970 113 HD13 ILE 13 HD2 ILE 13 -26.278 -10.330 15.554 114 H ARG 14 HN ARG 14 -20.718 -11.793 19.048 115 HA ARG 14 HA ARG 14 -21.595 -9.856 20.890 116 HB2 ARG 14 HB2 ARG 14 -20.562 -12.006 21.553 117 HB3 ARG 14 HB1 ARG 14 -19.003 -11.398 21.004 118 HG2 ARG 14 HG2 ARG 14 -19.092 -9.565 22.618 119 HG3 ARG 14 HG1 ARG 14 -20.702 -10.065 23.132 120 HD2 ARG 14 HD2 ARG 14 -19.066 -10.895 24.718 121 HD3 ARG 14 HD1 ARG 14 -19.749 -12.258 23.837 122 HE ARG 14 HE ARG 14 -17.415 -11.365 22.504 123 HH11 ARG 14 HH21 ARG 14 -18.477 -12.884 25.422 124 HH12 ARG 14 HH22 ARG 14 -17.022 -13.796 25.643 125 HH21 ARG 14 HH11 ARG 14 -15.499 -12.555 22.779 126 HH22 ARG 14 HH12 ARG 14 -15.331 -13.606 24.145 127 H ARG 15 HN ARG 15 -18.588 -10.061 19.077 128 HA ARG 15 HA ARG 15 -17.276 -7.838 20.014 129 HB2 ARG 15 HB2 ARG 15 -15.920 -7.949 18.119 130 HB3 ARG 15 HB1 ARG 15 -16.613 -9.574 18.180 131 HG2 ARG 15 HG2 ARG 15 -18.461 -8.574 16.623 132 HG3 ARG 15 HG1 ARG 15 -17.300 -7.293 16.338 133 HD2 ARG 15 HD2 ARG 15 -16.745 -10.237 15.926 134 HD3 ARG 15 HD1 ARG 15 -17.117 -9.093 14.641 135 HE ARG 15 HE ARG 15 -14.985 -7.972 15.973 136 HH11 ARG 15 HH21 ARG 15 -15.677 -11.014 14.467 137 HH12 ARG 15 HH22 ARG 15 -14.034 -11.305 14.009 138 HH21 ARG 15 HH11 ARG 15 -12.839 -8.352 15.377 139 HH22 ARG 15 HH12 ARG 15 -12.420 -9.802 14.524 140 H ALA 16 HN ALA 16 -19.992 -7.956 17.807 141 HA ALA 16 HA ALA 16 -19.898 -5.246 16.962 142 HB1 ALA 16 HB1 ALA 16 -22.427 -6.853 17.392 143 HB2 ALA 16 HB2 ALA 16 -21.382 -7.088 15.993 144 HB3 ALA 16 HB3 ALA 16 -22.174 -5.531 16.253 145 H SER 17 HN SER 17 -21.019 -6.884 19.758 146 HA SER 17 HA SER 17 -22.557 -4.849 20.956 147 HB2 SER 17 HB2 SER 17 -20.950 -6.807 22.576 148 HB3 SER 17 HB1 SER 17 -22.540 -6.137 22.915 149 HG SER 17 HG1 SER 17 -22.927 -7.264 20.686 150 H THR 18 HN THR 18 -19.200 -5.815 21.918 151 HA THR 18 HA THR 18 -18.617 -2.959 22.421 152 HB THR 18 HB THR 18 -19.100 -3.682 24.586 153 HG1 THR 18 HG1 THR 18 -17.114 -2.790 24.735 154 HG21 THR 18 HG21 THR 18 -17.774 -6.265 23.767 155 HG22 THR 18 HG22 THR 18 -19.452 -6.007 24.227 156 HG23 THR 18 HG23 THR 18 -18.179 -5.891 25.442 157 H ILE 19 HN ILE 19 -17.745 -5.229 20.446 158 HA ILE 19 HA ILE 19 -15.534 -6.306 19.989 159 HB ILE 19 HB ILE 19 -16.211 -5.248 18.007 160 HG12 ILE 19 HG12 ILE 19 -13.695 -3.653 18.558 161 HG13 ILE 19 HG11 ILE 19 -13.654 -5.388 18.262 162 HG21 ILE 19 HG21 ILE 19 -17.320 -3.336 18.935 163 HG22 ILE 19 HG22 ILE 19 -16.145 -2.740 17.761 164 HG23 ILE 19 HG23 ILE 19 -15.793 -2.651 19.488 165 HD11 ILE 19 HD3 ILE 19 -13.281 -4.087 16.178 166 HD12 ILE 19 HD1 ILE 19 -14.867 -3.342 16.392 167 HD13 ILE 19 HD2 ILE 19 -14.744 -5.075 16.096 168 H GLU 20 HN GLU 20 -13.790 -6.615 21.125 169 HA GLU 20 HA GLU 20 -12.400 -5.870 23.025 170 HB2 GLU 20 HB2 GLU 20 -11.277 -7.116 21.292 171 HB3 GLU 20 HB1 GLU 20 -11.085 -5.662 20.319 172 HG2 GLU 20 HG2 GLU 20 -9.569 -4.684 21.923 173 HG3 GLU 20 HG1 GLU 20 -9.914 -5.947 23.106 174 H MET 21 HN MET 21 -12.996 -3.912 24.015 175 HA MET 21 HA MET 21 -11.578 -1.511 23.014 176 HB2 MET 21 HB2 MET 21 -14.387 -1.724 24.029 177 HB3 MET 21 HB1 MET 21 -13.496 -0.214 24.180 178 HG2 MET 21 HG2 MET 21 -13.648 0.251 21.933 179 HG3 MET 21 HG1 MET 21 -13.364 -1.414 21.458 180 HE1 MET 21 HE1 MET 21 -15.561 0.916 23.272 181 HE2 MET 21 HE2 MET 21 -16.406 -0.419 24.038 182 HE3 MET 21 HE3 MET 21 -17.236 0.545 22.822 183 HA PRO 22 HA PRO 22 -11.066 -2.773 27.710 184 HB2 PRO 22 HB2 PRO 22 -8.197 -3.072 27.027 185 HB3 PRO 22 HB1 PRO 22 -9.241 -4.151 27.970 186 HG2 PRO 22 HG2 PRO 22 -8.388 -4.537 25.291 187 HG3 PRO 22 HG1 PRO 22 -9.586 -5.502 26.174 188 HD2 PRO 22 HD2 PRO 22 -10.082 -3.714 23.972 189 HD3 PRO 22 HD1 PRO 22 -11.275 -4.630 24.919 190 H GLN 23 HN GLN 23 -8.291 -1.438 25.929 191 HA GLN 23 HA GLN 23 -8.841 1.314 26.567 192 HB2 GLN 23 HB2 GLN 23 -6.630 -0.094 28.060 193 HB3 GLN 23 HB1 GLN 23 -6.774 1.658 27.950 194 HG2 GLN 23 HG2 GLN 23 -9.133 1.331 28.948 195 HG3 GLN 23 HG1 GLN 23 -8.589 -0.309 29.348 196 HE21 GLN 23 HE21 GLN 23 -9.068 0.774 31.613 197 HE22 GLN 23 HE22 GLN 23 -7.729 1.499 32.361 198 H GLN 24 HN GLN 24 -6.658 -1.152 25.250 199 HA GLN 24 HA GLN 24 -4.999 0.915 23.937 200 HB2 GLN 24 HB2 GLN 24 -4.671 -2.080 24.210 201 HB3 GLN 24 HB1 GLN 24 -3.558 -1.023 23.337 202 HG2 GLN 24 HG2 GLN 24 -3.127 0.258 25.380 203 HG3 GLN 24 HG1 GLN 24 -4.287 -0.730 26.264 204 HE21 GLN 24 HE21 GLN 24 -2.014 -0.931 27.514 205 HE22 GLN 24 HE22 GLN 24 -1.100 -2.294 27.086 206 H ALA 25 HN ALA 25 -7.748 -0.761 23.370 207 HA ALA 25 HA ALA 25 -7.479 -1.762 20.786 208 HB1 ALA 25 HB1 ALA 25 -9.939 -0.398 21.819 209 HB2 ALA 25 HB2 ALA 25 -9.422 -1.995 22.381 210 HB3 ALA 25 HB3 ALA 25 -9.824 -1.743 20.693 211 H ARG 26 HN ARG 26 -7.982 1.502 21.944 212 HA ARG 26 HA ARG 26 -8.745 2.740 19.555 213 HB2 ARG 26 HB2 ARG 26 -7.137 3.758 21.893 214 HB3 ARG 26 HB1 ARG 26 -7.646 4.792 20.560 215 HG2 ARG 26 HG2 ARG 26 -9.985 4.271 20.997 216 HG3 ARG 26 HG1 ARG 26 -9.520 3.137 22.262 217 HD2 ARG 26 HD2 ARG 26 -10.159 5.250 23.291 218 HD3 ARG 26 HD1 ARG 26 -8.428 4.998 23.492 219 HE ARG 26 HE ARG 26 -8.893 6.473 21.119 220 HH11 ARG 26 HH21 ARG 26 -9.081 6.699 24.564 221 HH12 ARG 26 HH22 ARG 26 -8.791 8.409 24.603 222 HH21 ARG 26 HH11 ARG 26 -8.520 8.707 21.157 223 HH22 ARG 26 HH12 ARG 26 -8.473 9.542 22.670 224 H GLN 27 HN GLN 27 -5.414 2.294 20.875 225 HA GLN 27 HA GLN 27 -4.253 3.293 18.421 226 HB2 GLN 27 HB2 GLN 27 -3.047 2.112 20.932 227 HB3 GLN 27 HB1 GLN 27 -2.115 2.734 19.570 228 HG2 GLN 27 HG2 GLN 27 -4.175 4.373 21.064 229 HG3 GLN 27 HG1 GLN 27 -2.452 4.395 21.444 230 HE21 GLN 27 HE21 GLN 27 -4.653 6.221 19.868 231 HE22 GLN 27 HE22 GLN 27 -3.696 6.847 18.614 232 H ASN 28 HN ASN 28 -4.982 0.163 19.896 233 HA ASN 28 HA ASN 28 -3.210 -1.356 18.278 234 HB2 ASN 28 HB2 ASN 28 -4.548 -2.099 20.358 235 HB3 ASN 28 HB1 ASN 28 -5.869 -2.380 19.230 236 HD21 ASN 28 HD21 ASN 28 -5.881 -4.664 19.241 237 HD22 ASN 28 HD22 ASN 28 -4.564 -5.602 18.728 238 H LEU 29 HN LEU 29 -6.586 -0.390 17.839 239 HA LEU 29 HA LEU 29 -6.910 -1.735 15.358 240 HB2 LEU 29 HB2 LEU 29 -8.498 0.286 16.895 241 HB3 LEU 29 HB1 LEU 29 -8.852 0.140 15.183 242 HG LEU 29 HG LEU 29 -9.106 -2.367 15.588 243 HD11 LEU 29 HD11 LEU 29 -7.890 -2.272 17.812 244 HD12 LEU 29 HD12 LEU 29 -9.426 -3.138 17.837 245 HD13 LEU 29 HD13 LEU 29 -9.326 -1.493 18.458 246 HD21 LEU 29 HD21 LEU 29 -11.026 -0.858 15.313 247 HD22 LEU 29 HD22 LEU 29 -10.966 -0.451 17.030 248 HD23 LEU 29 HD23 LEU 29 -11.384 -2.087 16.526 249 H GLN 30 HN GLN 30 -5.932 1.618 16.216 250 HA GLN 30 HA GLN 30 -5.938 2.443 13.518 251 HB2 GLN 30 HB2 GLN 30 -4.665 3.564 16.005 252 HB3 GLN 30 HB1 GLN 30 -4.558 4.349 14.435 253 HG2 GLN 30 HG2 GLN 30 -7.015 4.430 14.288 254 HG3 GLN 30 HG1 GLN 30 -7.136 3.651 15.866 255 HE21 GLN 30 HE21 GLN 30 -8.380 5.907 16.116 256 HE22 GLN 30 HE22 GLN 30 -7.437 7.177 16.726 257 H ASN 31 HN ASN 31 -3.595 0.905 15.608 258 HA ASN 31 HA ASN 31 -1.273 1.428 14.100 259 HB2 ASN 31 HB2 ASN 31 -2.037 -0.777 16.011 260 HB3 ASN 31 HB1 ASN 31 -0.480 -0.781 15.191 261 HD21 ASN 31 HD21 ASN 31 -0.566 -0.553 18.001 262 HD22 ASN 31 HD22 ASN 31 -0.082 1.011 18.446 263 H LEU 32 HN LEU 32 -3.676 -1.122 13.926 264 HA LEU 32 HA LEU 32 -2.428 -2.660 11.934 265 HB2 LEU 32 HB2 LEU 32 -5.326 -2.398 12.718 266 HB3 LEU 32 HB1 LEU 32 -4.741 -3.567 11.533 267 HG LEU 32 HG LEU 32 -3.734 -3.380 14.390 268 HD11 LEU 32 HD11 LEU 32 -5.138 -5.335 14.829 269 HD12 LEU 32 HD12 LEU 32 -5.715 -5.325 13.165 270 HD13 LEU 32 HD13 LEU 32 -6.134 -4.000 14.254 271 HD21 LEU 32 HD21 LEU 32 -3.143 -5.185 12.038 272 HD22 LEU 32 HD22 LEU 32 -3.094 -5.877 13.654 273 HD23 LEU 32 HD23 LEU 32 -2.038 -4.533 13.246 274 H PHE 33 HN PHE 33 -4.792 -0.038 11.791 275 HA PHE 33 HA PHE 33 -5.186 -0.099 8.994 276 HB2 PHE 33 HB2 PHE 33 -6.675 1.151 10.513 277 HB3 PHE 33 HB1 PHE 33 -5.355 2.259 10.893 278 HD1 PHE 33 HD1 PHE 33 -7.319 0.898 8.021 279 HD2 PHE 33 HD2 PHE 33 -4.993 4.174 9.545 280 HE1 PHE 33 HE1 PHE 33 -7.883 2.237 6.012 281 HE2 PHE 33 HE2 PHE 33 -5.563 5.509 7.537 282 HZ PHE 33 HZ PHE 33 -7.007 4.542 5.766 283 H ILE 34 HN ILE 34 -3.020 1.775 11.056 284 HA ILE 34 HA ILE 34 -1.713 3.195 8.977 285 HB ILE 34 HB ILE 34 -0.818 2.472 11.782 286 HG12 ILE 34 HG12 ILE 34 -1.761 5.114 10.619 287 HG13 ILE 34 HG11 ILE 34 -2.843 3.965 11.410 288 HG21 ILE 34 HG21 ILE 34 0.429 4.264 9.676 289 HG22 ILE 34 HG22 ILE 34 1.185 2.918 10.529 290 HG23 ILE 34 HG23 ILE 34 0.799 4.404 11.396 291 HD11 ILE 34 HD3 ILE 34 -2.133 5.617 13.047 292 HD12 ILE 34 HD1 ILE 34 -0.438 5.323 12.659 293 HD13 ILE 34 HD2 ILE 34 -1.390 4.067 13.446 294 H ASN 35 HN ASN 35 -0.828 0.185 10.706 295 HA ASN 35 HA ASN 35 1.546 -0.263 9.249 296 HB2 ASN 35 HB2 ASN 35 -0.224 -2.047 10.905 297 HB3 ASN 35 HB1 ASN 35 1.199 -2.669 10.077 298 HD21 ASN 35 HD21 ASN 35 1.078 -2.716 12.911 299 HD22 ASN 35 HD22 ASN 35 2.204 -1.598 13.522 300 H PHE 36 HN PHE 36 -1.759 -1.385 8.955 301 HA PHE 36 HA PHE 36 -1.337 -3.083 6.750 302 HB2 PHE 36 HB2 PHE 36 -3.371 -3.251 8.091 303 HB3 PHE 36 HB1 PHE 36 -3.874 -1.640 7.546 304 HD1 PHE 36 HD2 PHE 36 -2.975 -5.054 6.319 305 HD2 PHE 36 HD1 PHE 36 -5.047 -1.377 5.506 306 HE1 PHE 36 HE2 PHE 36 -3.988 -6.065 4.292 307 HE2 PHE 36 HE1 PHE 36 -6.053 -2.390 3.483 308 HZ PHE 36 HZ PHE 36 -5.524 -4.737 2.877 309 H ALA 37 HN ALA 37 -1.817 0.370 6.950 310 HA ALA 37 HA ALA 37 -2.394 0.710 4.162 311 HB1 ALA 37 HB1 ALA 37 -2.196 3.089 4.623 312 HB2 ALA 37 HB2 ALA 37 -1.437 2.754 6.181 313 HB3 ALA 37 HB3 ALA 37 -3.128 2.331 5.915 314 H LEU 38 HN LEU 38 0.421 0.848 6.263 315 HA LEU 38 HA LEU 38 2.256 1.940 4.432 316 HB2 LEU 38 HB2 LEU 38 2.561 0.146 6.835 317 HB3 LEU 38 HB1 LEU 38 3.959 0.608 5.874 318 HG LEU 38 HG LEU 38 2.022 2.607 7.079 319 HD11 LEU 38 HD11 LEU 38 4.576 1.409 8.158 320 HD12 LEU 38 HD12 LEU 38 3.003 1.523 8.940 321 HD13 LEU 38 HD13 LEU 38 3.977 2.974 8.706 322 HD21 LEU 38 HD21 LEU 38 3.182 3.820 5.441 323 HD22 LEU 38 HD22 LEU 38 4.618 2.811 5.546 324 HD23 LEU 38 HD23 LEU 38 4.297 4.013 6.789 325 H ILE 39 HN ILE 39 1.194 -1.401 4.971 326 HA ILE 39 HA ILE 39 3.079 -2.570 3.179 327 HB ILE 39 HB ILE 39 0.355 -3.509 4.127 328 HG12 ILE 39 HG12 ILE 39 2.057 -3.387 5.907 329 HG13 ILE 39 HG11 ILE 39 1.688 -5.063 5.537 330 HG21 ILE 39 HG21 ILE 39 2.372 -4.810 2.309 331 HG22 ILE 39 HG22 ILE 39 0.625 -4.697 2.120 332 HG23 ILE 39 HG23 ILE 39 1.313 -5.793 3.317 333 HD11 ILE 39 HD3 ILE 39 3.787 -4.712 3.849 334 HD12 ILE 39 HD1 ILE 39 3.981 -5.220 5.527 335 HD13 ILE 39 HD2 ILE 39 4.203 -3.529 5.086 336 H LEU 40 HN LEU 40 -0.220 -1.373 2.860 337 HA LEU 40 HA LEU 40 -0.600 -2.046 0.137 338 HB2 LEU 40 HB2 LEU 40 -2.435 -1.376 1.641 339 HB3 LEU 40 HB1 LEU 40 -1.774 0.259 1.730 340 HG LEU 40 HG LEU 40 -2.085 0.491 -0.722 341 HD11 LEU 40 HD11 LEU 40 -3.039 -2.354 -0.432 342 HD12 LEU 40 HD12 LEU 40 -2.018 -1.638 -1.681 343 HD13 LEU 40 HD13 LEU 40 -3.749 -1.329 -1.685 344 HD21 LEU 40 HD21 LEU 40 -4.563 -0.350 0.807 345 HD22 LEU 40 HD22 LEU 40 -4.550 0.642 -0.650 346 HD23 LEU 40 HD23 LEU 40 -3.830 1.251 0.840 347 H ILE 41 HN ILE 41 0.437 0.979 1.659 348 HA ILE 41 HA ILE 41 0.976 2.370 -0.737 349 HB ILE 41 HB ILE 41 1.728 2.748 2.154 350 HG12 ILE 41 HG12 ILE 41 0.670 5.062 1.598 351 HG13 ILE 41 HG11 ILE 41 0.154 4.339 0.088 352 HG21 ILE 41 HG21 ILE 41 3.777 3.407 1.188 353 HG22 ILE 41 HG22 ILE 41 2.887 4.913 1.436 354 HG23 ILE 41 HG23 ILE 41 2.987 4.196 -0.177 355 HD11 ILE 41 HD3 ILE 41 -0.941 2.510 1.455 356 HD12 ILE 41 HD1 ILE 41 -1.650 4.111 1.655 357 HD13 ILE 41 HD2 ILE 41 -0.574 3.473 2.887 358 H PHE 42 HN PHE 42 3.152 0.466 1.371 359 HA PHE 42 HA PHE 42 5.510 0.904 -0.063 360 HB2 PHE 42 HB2 PHE 42 5.471 -0.156 2.131 361 HB3 PHE 42 HB1 PHE 42 4.624 -1.546 1.458 362 HD1 PHE 42 HD2 PHE 42 7.748 0.472 0.972 363 HD2 PHE 42 HD1 PHE 42 5.868 -3.381 0.659 364 HE1 PHE 42 HE2 PHE 42 9.920 -0.536 0.335 365 HE2 PHE 42 HE1 PHE 42 8.044 -4.386 0.021 366 HZ PHE 42 HZ PHE 42 10.067 -2.969 -0.144 367 H LEU 43 HN LEU 43 3.087 -1.672 -0.398 368 HA LEU 43 HA LEU 43 4.331 -3.008 -2.541 369 HB2 LEU 43 HB2 LEU 43 1.456 -2.913 -1.648 370 HB3 LEU 43 HB1 LEU 43 2.002 -3.934 -2.968 371 HG LEU 43 HG LEU 43 3.192 -4.030 -0.178 372 HD11 LEU 43 HD11 LEU 43 1.162 -5.926 -1.384 373 HD12 LEU 43 HD12 LEU 43 0.752 -4.652 -0.234 374 HD13 LEU 43 HD13 LEU 43 1.817 -5.971 0.252 375 HD21 LEU 43 HD21 LEU 43 4.785 -5.056 -1.559 376 HD22 LEU 43 HD22 LEU 43 3.585 -5.616 -2.719 377 HD23 LEU 43 HD23 LEU 43 3.763 -6.438 -1.171 378 H LEU 44 HN LEU 44 1.953 -0.401 -2.467 379 HA LEU 44 HA LEU 44 1.505 -0.317 -5.262 380 HB2 LEU 44 HB2 LEU 44 1.112 1.686 -3.047 381 HB3 LEU 44 HB1 LEU 44 0.781 2.111 -4.723 382 HG LEU 44 HG LEU 44 -0.443 -0.279 -3.316 383 HD11 LEU 44 HD11 LEU 44 -1.101 1.912 -2.302 384 HD12 LEU 44 HD12 LEU 44 -2.453 1.069 -3.055 385 HD13 LEU 44 HD13 LEU 44 -1.692 2.428 -3.880 386 HD21 LEU 44 HD21 LEU 44 -2.153 0.239 -5.332 387 HD22 LEU 44 HD22 LEU 44 -0.736 -0.762 -5.594 388 HD23 LEU 44 HD23 LEU 44 -0.709 0.938 -6.074 389 H LEU 45 HN LEU 45 3.882 1.189 -3.147 390 HA LEU 45 HA LEU 45 4.946 2.985 -5.036 391 HB2 LEU 45 HB2 LEU 45 6.016 1.729 -2.528 392 HB3 LEU 45 HB1 LEU 45 7.068 2.728 -3.530 393 HG LEU 45 HG LEU 45 4.355 3.704 -2.601 394 HD11 LEU 45 HD11 LEU 45 5.674 4.925 -0.800 395 HD12 LEU 45 HD12 LEU 45 7.013 3.843 -1.164 396 HD13 LEU 45 HD13 LEU 45 5.491 3.190 -0.556 397 HD21 LEU 45 HD21 LEU 45 5.201 5.154 -4.291 398 HD22 LEU 45 HD22 LEU 45 6.856 5.016 -3.717 399 HD23 LEU 45 HD23 LEU 45 5.686 5.949 -2.800 400 H ILE 46 HN ILE 46 5.687 -0.370 -4.303 401 HA ILE 46 HA ILE 46 7.949 -0.606 -5.968 402 HB ILE 46 HB ILE 46 5.908 -2.624 -4.989 403 HG12 ILE 46 HG12 ILE 46 8.786 -2.164 -4.154 404 HG13 ILE 46 HG11 ILE 46 7.420 -1.411 -3.338 405 HG21 ILE 46 HG21 ILE 46 8.454 -2.967 -6.564 406 HG22 ILE 46 HG22 ILE 46 6.849 -3.592 -6.934 407 HG23 ILE 46 HG23 ILE 46 7.769 -4.265 -5.588 408 HD11 ILE 46 HD3 ILE 46 7.515 -4.401 -3.745 409 HD12 ILE 46 HD1 ILE 46 6.603 -3.476 -2.559 410 HD13 ILE 46 HD2 ILE 46 8.340 -3.650 -2.383 411 H ALA 47 HN ALA 47 4.514 -1.118 -6.453 412 HA ALA 47 HA ALA 47 4.566 -2.096 -9.087 413 HB1 ALA 47 HB1 ALA 47 2.245 -1.104 -9.255 414 HB2 ALA 47 HB2 ALA 47 2.490 -0.447 -7.632 415 HB3 ALA 47 HB3 ALA 47 2.499 -2.194 -7.892 416 H ILE 48 HN ILE 48 4.257 1.245 -7.905 417 HA ILE 48 HA ILE 48 4.187 2.482 -10.434 418 HB ILE 48 HB ILE 48 5.080 3.514 -7.737 419 HG12 ILE 48 HG12 ILE 48 2.546 4.021 -9.318 420 HG13 ILE 48 HG11 ILE 48 2.686 2.767 -8.091 421 HG21 ILE 48 HG21 ILE 48 4.598 5.780 -8.882 422 HG22 ILE 48 HG22 ILE 48 4.761 4.904 -10.404 423 HG23 ILE 48 HG23 ILE 48 6.118 4.983 -9.286 424 HD11 ILE 48 HD3 ILE 48 1.719 4.774 -7.089 425 HD12 ILE 48 HD1 ILE 48 3.072 5.742 -7.667 426 HD13 ILE 48 HD2 ILE 48 3.331 4.510 -6.431 427 H ILE 49 HN ILE 49 6.901 1.749 -8.269 428 HA ILE 49 HA ILE 49 8.914 2.965 -9.837 429 HB ILE 49 HB ILE 49 8.994 0.733 -7.831 430 HG12 ILE 49 HG12 ILE 49 10.016 3.571 -7.619 431 HG13 ILE 49 HG11 ILE 49 8.371 3.125 -7.159 432 HG21 ILE 49 HG21 ILE 49 10.943 0.334 -9.091 433 HG22 ILE 49 HG22 ILE 49 11.508 1.356 -7.771 434 HG23 ILE 49 HG23 ILE 49 11.227 2.051 -9.369 435 HD11 ILE 49 HD3 ILE 49 9.366 1.390 -5.613 436 HD12 ILE 49 HD1 ILE 49 9.733 3.057 -5.167 437 HD13 ILE 49 HD2 ILE 49 10.952 2.068 -5.972 438 H VAL 50 HN VAL 50 7.697 -0.353 -9.702 439 HA VAL 50 HA VAL 50 9.478 -1.405 -11.637 440 HB VAL 50 HB VAL 50 6.716 -2.289 -10.747 441 HG11 VAL 50 HG11 VAL 50 8.674 -3.601 -12.648 442 HG12 VAL 50 HG12 VAL 50 6.999 -3.160 -12.974 443 HG13 VAL 50 HG13 VAL 50 7.362 -4.474 -11.856 444 HG21 VAL 50 HG21 VAL 50 9.411 -3.580 -10.255 445 HG22 VAL 50 HG22 VAL 50 7.896 -3.890 -9.410 446 HG23 VAL 50 HG23 VAL 50 8.744 -2.367 -9.165 447 H MET 51 HN MET 51 6.168 -0.127 -11.838 448 HA MET 51 HA MET 51 5.876 -0.377 -14.625 449 HB2 MET 51 HB2 MET 51 4.577 1.533 -12.677 450 HB3 MET 51 HB1 MET 51 4.055 1.281 -14.338 451 HG2 MET 51 HG2 MET 51 3.127 -0.143 -12.079 452 HG3 MET 51 HG1 MET 51 2.829 -0.572 -13.750 453 HE1 MET 51 HE1 MET 51 3.644 -3.395 -14.410 454 HE2 MET 51 HE2 MET 51 5.350 -3.078 -14.686 455 HE3 MET 51 HE3 MET 51 4.163 -1.858 -15.122 456 H LEU 52 HN LEU 52 7.394 2.061 -12.574 457 HA LEU 52 HA LEU 52 7.427 4.169 -14.432 458 HB2 LEU 52 HB2 LEU 52 8.023 4.520 -12.082 459 HB3 LEU 52 HB1 LEU 52 9.442 3.499 -12.274 460 HG LEU 52 HG LEU 52 10.419 5.088 -13.868 461 HD11 LEU 52 HD11 LEU 52 8.658 6.070 -15.062 462 HD12 LEU 52 HD12 LEU 52 9.139 7.390 -13.999 463 HD13 LEU 52 HD13 LEU 52 7.724 6.412 -13.607 464 HD21 LEU 52 HD21 LEU 52 10.618 7.062 -12.289 465 HD22 LEU 52 HD22 LEU 52 10.928 5.491 -11.541 466 HD23 LEU 52 HD23 LEU 52 9.375 6.300 -11.286 467 H LEU 53 HN LEU 53 9.627 1.437 -14.008 468 HA LEU 53 HA LEU 53 11.431 2.366 -16.048 469 HB2 LEU 53 HB2 LEU 53 11.236 -0.387 -14.827 470 HB3 LEU 53 HB1 LEU 53 12.622 0.304 -15.668 471 HG LEU 53 HG LEU 53 11.446 1.376 -13.083 472 HD11 LEU 53 HD11 LEU 53 12.487 -0.717 -12.600 473 HD12 LEU 53 HD12 LEU 53 13.664 0.516 -12.165 474 HD13 LEU 53 HD13 LEU 53 13.837 -0.374 -13.677 475 HD21 LEU 53 HD21 LEU 53 12.511 3.206 -14.159 476 HD22 LEU 53 HD22 LEU 53 13.775 2.187 -14.847 477 HD23 LEU 53 HD23 LEU 53 13.781 2.558 -13.123 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -12.361 32.155 10.742 2 H2 ALA 1 HT2 ALA 1 -12.592 32.317 9.066 3 H3 ALA 1 HT3 ALA 1 -13.627 31.326 9.981 4 HA ALA 1 HA ALA 1 -13.378 34.233 10.474 5 HB1 ALA 1 HB1 ALA 1 -14.106 34.022 8.179 6 HB2 ALA 1 HB2 ALA 1 -15.525 34.401 9.156 7 HB3 ALA 1 HB3 ALA 1 -15.248 32.748 8.608 8 H MET 2 HN MET 2 -14.170 31.202 11.501 9 HA MET 2 HA MET 2 -16.330 32.167 13.319 10 HB2 MET 2 HB2 MET 2 -15.887 29.429 12.107 11 HB3 MET 2 HB1 MET 2 -17.049 29.772 13.389 12 HG2 MET 2 HG2 MET 2 -18.224 31.357 11.953 13 HG3 MET 2 HG1 MET 2 -17.022 31.133 10.684 14 HE1 MET 2 HE1 MET 2 -20.306 28.369 12.139 15 HE2 MET 2 HE2 MET 2 -19.535 29.715 12.966 16 HE3 MET 2 HE3 MET 2 -18.767 28.133 12.989 17 H GLU 3 HN GLU 3 -16.185 31.587 15.473 18 HA GLU 3 HA GLU 3 -13.580 31.245 16.537 19 HB2 GLU 3 HB2 GLU 3 -14.679 31.112 18.710 20 HB3 GLU 3 HB1 GLU 3 -15.399 32.403 17.749 21 HG2 GLU 3 HG2 GLU 3 -17.211 30.804 17.069 22 HG3 GLU 3 HG1 GLU 3 -16.526 29.624 18.186 23 H LYS 4 HN LYS 4 -16.256 29.014 15.988 24 HA LYS 4 HA LYS 4 -15.181 26.799 17.363 25 HB2 LYS 4 HB2 LYS 4 -17.092 26.954 15.030 26 HB3 LYS 4 HB1 LYS 4 -16.712 25.463 15.891 27 HG2 LYS 4 HG2 LYS 4 -17.512 26.453 17.995 28 HG3 LYS 4 HG1 LYS 4 -17.876 27.961 17.155 29 HD2 LYS 4 HD2 LYS 4 -19.481 26.777 15.704 30 HD3 LYS 4 HD1 LYS 4 -19.126 25.267 16.545 31 HE2 LYS 4 HE2 LYS 4 -19.922 26.244 18.660 32 HE3 LYS 4 HE1 LYS 4 -20.269 27.763 17.832 33 HZ1 LYS 4 HZ1 LYS 4 -21.670 25.201 17.687 34 HZ2 LYS 4 HZ2 LYS 4 -21.614 26.148 16.277 35 HZ3 LYS 4 HZ3 LYS 4 -22.295 26.775 17.702 36 H VAL 5 HN VAL 5 -14.900 27.885 14.042 37 HA VAL 5 HA VAL 5 -13.442 25.682 13.046 38 HB VAL 5 HB VAL 5 -13.545 28.552 12.113 39 HG11 VAL 5 HG11 VAL 5 -12.746 27.489 9.928 40 HG12 VAL 5 HG12 VAL 5 -12.304 26.078 10.888 41 HG13 VAL 5 HG13 VAL 5 -11.534 27.633 11.201 42 HG21 VAL 5 HG21 VAL 5 -15.200 27.780 10.571 43 HG22 VAL 5 HG22 VAL 5 -15.655 27.091 12.130 44 HG23 VAL 5 HG23 VAL 5 -14.845 26.089 10.925 45 H GLN 6 HN GLN 6 -12.406 28.778 14.379 46 HA GLN 6 HA GLN 6 -9.640 28.384 14.016 47 HB2 GLN 6 HB2 GLN 6 -11.141 30.091 15.999 48 HB3 GLN 6 HB1 GLN 6 -9.394 30.152 15.765 49 HG2 GLN 6 HG2 GLN 6 -11.398 30.582 13.539 50 HG3 GLN 6 HG1 GLN 6 -10.663 31.892 14.461 51 HE21 GLN 6 HE21 GLN 6 -10.343 30.455 11.552 52 HE22 GLN 6 HE22 GLN 6 -8.663 30.563 11.336 53 H TYR 7 HN TYR 7 -11.743 27.743 16.795 54 HA TYR 7 HA TYR 7 -9.736 26.847 18.561 55 HB2 TYR 7 HB2 TYR 7 -11.978 27.356 19.358 56 HB3 TYR 7 HB1 TYR 7 -12.653 26.056 18.375 57 HD1 TYR 7 HD1 TYR 7 -10.398 26.793 21.243 58 HD2 TYR 7 HD2 TYR 7 -12.594 23.782 19.106 59 HE1 TYR 7 HE1 TYR 7 -9.963 25.174 23.074 60 HE2 TYR 7 HE2 TYR 7 -12.160 22.166 20.935 61 HH TYR 7 HH TYR 7 -10.423 21.869 22.753 62 H LEU 8 HN LEU 8 -11.912 24.987 16.435 63 HA LEU 8 HA LEU 8 -10.928 22.446 16.946 64 HB2 LEU 8 HB2 LEU 8 -12.011 23.637 14.391 65 HB3 LEU 8 HB1 LEU 8 -11.648 21.925 14.565 66 HG LEU 8 HG LEU 8 -13.497 23.400 16.464 67 HD11 LEU 8 HD11 LEU 8 -14.462 23.605 14.246 68 HD12 LEU 8 HD12 LEU 8 -15.354 22.370 15.134 69 HD13 LEU 8 HD13 LEU 8 -14.169 21.897 13.918 70 HD21 LEU 8 HD21 LEU 8 -14.391 20.934 16.639 71 HD22 LEU 8 HD22 LEU 8 -12.891 21.330 17.460 72 HD23 LEU 8 HD23 LEU 8 -12.846 20.485 15.917 73 H THR 9 HN THR 9 -9.687 24.948 14.771 74 HA THR 9 HA THR 9 -7.696 23.407 13.499 75 HB THR 9 HB THR 9 -7.516 26.352 14.147 76 HG1 THR 9 HG1 THR 9 -8.465 25.962 11.744 77 HG21 THR 9 HG21 THR 9 -6.284 26.403 12.003 78 HG22 THR 9 HG22 THR 9 -6.454 24.653 11.878 79 HG23 THR 9 HG23 THR 9 -5.497 25.355 13.182 80 H ARG 10 HN ARG 10 -7.566 25.468 16.405 81 HA ARG 10 HA ARG 10 -4.848 25.076 16.987 82 HB2 ARG 10 HB2 ARG 10 -6.278 26.808 18.058 83 HB3 ARG 10 HB1 ARG 10 -7.107 25.529 18.947 84 HG2 ARG 10 HG2 ARG 10 -5.046 24.882 20.054 85 HG3 ARG 10 HG1 ARG 10 -4.122 26.029 19.083 86 HD2 ARG 10 HD2 ARG 10 -4.551 26.999 21.276 87 HD3 ARG 10 HD1 ARG 10 -5.458 27.888 20.056 88 HE ARG 10 HE ARG 10 -7.029 25.778 21.165 89 HH11 ARG 10 HH21 ARG 10 -5.728 28.926 21.783 90 HH12 ARG 10 HH22 ARG 10 -6.991 29.383 22.878 91 HH21 ARG 10 HH11 ARG 10 -8.684 26.367 22.594 92 HH22 ARG 10 HH12 ARG 10 -8.668 27.931 23.337 93 H SER 11 HN SER 11 -7.733 23.297 17.944 94 HA SER 11 HA SER 11 -6.355 21.412 19.585 95 HB2 SER 11 HB2 SER 11 -8.429 20.091 19.420 96 HB3 SER 11 HB1 SER 11 -8.767 21.771 19.811 97 HG SER 11 HG1 SER 11 -9.896 20.526 17.947 98 H ALA 12 HN ALA 12 -7.104 21.668 16.210 99 HA ALA 12 HA ALA 12 -6.736 19.060 15.336 100 HB1 ALA 12 HB1 ALA 12 -7.370 21.138 13.941 101 HB2 ALA 12 HB2 ALA 12 -6.375 19.905 13.170 102 HB3 ALA 12 HB3 ALA 12 -5.633 21.385 13.770 103 H ILE 13 HN ILE 13 -4.421 21.521 16.220 104 HA ILE 13 HA ILE 13 -2.168 19.878 15.437 105 HB ILE 13 HB ILE 13 -2.355 22.569 15.665 106 HG12 ILE 13 HG12 ILE 13 0.200 21.016 16.222 107 HG13 ILE 13 HG11 ILE 13 -0.485 21.297 14.621 108 HG21 ILE 13 HG21 ILE 13 -2.484 22.220 18.257 109 HG22 ILE 13 HG22 ILE 13 -1.453 23.487 17.630 110 HG23 ILE 13 HG23 ILE 13 -0.751 21.959 18.155 111 HD11 ILE 13 HD3 ILE 13 1.218 22.967 14.975 112 HD12 ILE 13 HD1 ILE 13 0.556 23.381 16.557 113 HD13 ILE 13 HD2 ILE 13 -0.345 23.775 15.093 114 H ARG 14 HN ARG 14 -3.892 20.601 18.409 115 HA ARG 14 HA ARG 14 -2.034 19.342 20.177 116 HB2 ARG 14 HB2 ARG 14 -3.831 20.885 20.938 117 HB3 ARG 14 HB1 ARG 14 -5.025 19.660 20.515 118 HG2 ARG 14 HG2 ARG 14 -4.055 18.098 22.121 119 HG3 ARG 14 HG1 ARG 14 -2.771 19.246 22.499 120 HD2 ARG 14 HD2 ARG 14 -4.494 19.383 24.216 121 HD3 ARG 14 HD1 ARG 14 -4.481 20.871 23.275 122 HE ARG 14 HE ARG 14 -6.584 20.302 22.410 123 HH11 ARG 14 HH21 ARG 14 -5.156 17.690 24.164 124 HH12 ARG 14 HH22 ARG 14 -6.601 16.736 24.197 125 HH21 ARG 14 HH11 ARG 14 -8.482 19.068 22.446 126 HH22 ARG 14 HH12 ARG 14 -8.491 17.519 23.221 127 H ARG 15 HN ARG 15 -4.914 18.253 18.543 128 HA ARG 15 HA ARG 15 -5.128 15.676 19.485 129 HB2 ARG 15 HB2 ARG 15 -5.800 16.933 16.819 130 HB3 ARG 15 HB1 ARG 15 -6.243 15.280 17.226 131 HG2 ARG 15 HG2 ARG 15 -7.534 16.010 19.128 132 HG3 ARG 15 HG1 ARG 15 -6.978 17.669 18.921 133 HD2 ARG 15 HD2 ARG 15 -8.091 17.819 16.767 134 HD3 ARG 15 HD1 ARG 15 -8.593 16.133 16.872 135 HE ARG 15 HE ARG 15 -9.735 18.401 18.325 136 HH11 ARG 15 HH21 ARG 15 -9.457 14.964 17.945 137 HH12 ARG 15 HH22 ARG 15 -10.921 14.616 18.803 138 HH21 ARG 15 HH11 ARG 15 -11.646 17.945 19.449 139 HH22 ARG 15 HH12 ARG 15 -12.159 16.304 19.654 140 H ALA 16 HN ALA 16 -2.996 17.040 16.997 141 HA ALA 16 HA ALA 16 -2.071 14.611 15.943 142 HB1 ALA 16 HB1 ALA 16 -1.455 16.973 15.129 143 HB2 ALA 16 HB2 ALA 16 -0.145 15.793 15.153 144 HB3 ALA 16 HB3 ALA 16 -0.271 16.996 16.436 145 H SER 17 HN SER 17 -1.653 16.198 18.889 146 HA SER 17 HA SER 17 0.600 14.607 19.829 147 HB2 SER 17 HB2 SER 17 -0.135 17.065 20.520 148 HB3 SER 17 HB1 SER 17 -1.103 16.215 21.715 149 HG SER 17 HG1 SER 17 1.699 16.224 21.312 150 H THR 18 HN THR 18 -2.757 15.028 21.082 151 HA THR 18 HA THR 18 -2.759 12.167 21.846 152 HB THR 18 HB THR 18 -2.550 13.476 23.831 153 HG1 THR 18 HG1 THR 18 -3.942 11.888 24.248 154 HG21 THR 18 HG21 THR 18 -4.382 15.171 24.344 155 HG22 THR 18 HG22 THR 18 -4.816 15.074 22.638 156 HG23 THR 18 HG23 THR 18 -3.216 15.646 23.109 157 H ILE 19 HN ILE 19 -3.830 13.143 19.374 158 HA ILE 19 HA ILE 19 -6.493 13.711 19.105 159 HB ILE 19 HB ILE 19 -5.219 13.215 17.105 160 HG12 ILE 19 HG12 ILE 19 -7.239 10.968 17.254 161 HG13 ILE 19 HG11 ILE 19 -7.752 12.654 17.203 162 HG21 ILE 19 HG21 ILE 19 -3.675 11.594 17.819 163 HG22 ILE 19 HG22 ILE 19 -4.674 10.761 16.628 164 HG23 ILE 19 HG23 ILE 19 -4.942 10.490 18.349 165 HD11 ILE 19 HD3 ILE 19 -6.766 13.002 15.069 166 HD12 ILE 19 HD1 ILE 19 -7.582 11.443 14.948 167 HD13 ILE 19 HD2 ILE 19 -5.833 11.509 15.170 168 H GLU 20 HN GLU 20 -5.109 10.857 20.462 169 HA GLU 20 HA GLU 20 -7.775 9.841 21.254 170 HB2 GLU 20 HB2 GLU 20 -6.938 8.534 19.303 171 HB3 GLU 20 HB1 GLU 20 -5.481 8.144 20.213 172 HG2 GLU 20 HG2 GLU 20 -6.979 6.282 20.420 173 HG3 GLU 20 HG1 GLU 20 -6.982 7.101 21.976 174 H MET 21 HN MET 21 -7.393 10.734 23.332 175 HA MET 21 HA MET 21 -5.114 10.589 24.840 176 HB2 MET 21 HB2 MET 21 -7.407 9.980 26.577 177 HB3 MET 21 HB1 MET 21 -6.420 11.423 26.515 178 HG2 MET 21 HG2 MET 21 -7.732 12.291 24.633 179 HG3 MET 21 HG1 MET 21 -8.711 10.824 24.621 180 HE1 MET 21 HE1 MET 21 -11.026 11.050 25.456 181 HE2 MET 21 HE2 MET 21 -10.657 12.565 24.640 182 HE3 MET 21 HE3 MET 21 -11.550 12.595 26.155 183 HA PRO 22 HA PRO 22 -6.661 6.082 26.426 184 HB2 PRO 22 HB2 PRO 22 -7.257 5.397 23.569 185 HB3 PRO 22 HB1 PRO 22 -7.880 4.630 25.048 186 HG2 PRO 22 HG2 PRO 22 -9.380 6.354 23.738 187 HG3 PRO 22 HG1 PRO 22 -9.322 6.391 25.512 188 HD2 PRO 22 HD2 PRO 22 -8.145 8.327 23.578 189 HD3 PRO 22 HD1 PRO 22 -8.646 8.578 25.258 190 H GLN 23 HN GLN 23 -4.746 5.264 26.805 191 HA GLN 23 HA GLN 23 -2.479 5.606 25.103 192 HB2 GLN 23 HB2 GLN 23 -2.862 3.994 27.629 193 HB3 GLN 23 HB1 GLN 23 -1.309 4.203 26.817 194 HG2 GLN 23 HG2 GLN 23 -1.512 6.650 27.050 195 HG3 GLN 23 HG1 GLN 23 -3.062 6.441 27.864 196 HE21 GLN 23 HE21 GLN 23 -1.542 7.713 29.546 197 HE22 GLN 23 HE22 GLN 23 -0.748 6.715 30.665 198 H GLN 24 HN GLN 24 -4.913 3.211 25.286 199 HA GLN 24 HA GLN 24 -3.255 1.168 23.929 200 HB2 GLN 24 HB2 GLN 24 -6.013 1.069 25.172 201 HB3 GLN 24 HB1 GLN 24 -5.247 -0.284 24.337 202 HG2 GLN 24 HG2 GLN 24 -3.382 -0.236 25.924 203 HG3 GLN 24 HG1 GLN 24 -4.099 1.152 26.742 204 HE21 GLN 24 HE21 GLN 24 -3.808 -2.146 27.025 205 HE22 GLN 24 HE22 GLN 24 -5.224 -2.474 27.903 206 H ALA 25 HN ALA 25 -6.313 2.939 23.621 207 HA ALA 25 HA ALA 25 -6.906 1.913 21.029 208 HB1 ALA 25 HB1 ALA 25 -8.078 4.575 21.567 209 HB2 ALA 25 HB2 ALA 25 -8.296 3.436 22.889 210 HB3 ALA 25 HB3 ALA 25 -8.889 3.031 21.286 211 H ARG 26 HN ARG 26 -4.900 4.571 22.082 212 HA ARG 26 HA ARG 26 -4.796 5.962 19.663 213 HB2 ARG 26 HB2 ARG 26 -3.991 6.864 21.789 214 HB3 ARG 26 HB1 ARG 26 -2.679 5.685 21.799 215 HG2 ARG 26 HG2 ARG 26 -1.792 6.599 19.751 216 HG3 ARG 26 HG1 ARG 26 -3.164 7.693 19.614 217 HD2 ARG 26 HD2 ARG 26 -2.506 8.831 21.667 218 HD3 ARG 26 HD1 ARG 26 -1.183 7.693 21.897 219 HE ARG 26 HE ARG 26 -0.903 8.909 19.364 220 HH11 ARG 26 HH21 ARG 26 -0.767 9.650 22.745 221 HH12 ARG 26 HH22 ARG 26 0.386 10.928 22.555 222 HH21 ARG 26 HH11 ARG 26 0.607 10.578 19.114 223 HH22 ARG 26 HH12 ARG 26 1.164 11.454 20.500 224 H GLN 27 HN GLN 27 -2.709 3.343 20.948 225 HA GLN 27 HA GLN 27 -1.289 3.207 18.393 226 HB2 GLN 27 HB2 GLN 27 -0.923 1.799 21.031 227 HB3 GLN 27 HB1 GLN 27 0.052 1.469 19.597 228 HG2 GLN 27 HG2 GLN 27 0.760 3.811 19.501 229 HG3 GLN 27 HG1 GLN 27 -0.255 4.194 20.891 230 HE21 GLN 27 HE21 GLN 27 2.145 4.884 21.576 231 HE22 GLN 27 HE22 GLN 27 3.004 3.696 22.431 232 H ASN 28 HN ASN 28 -3.642 1.262 20.228 233 HA ASN 28 HA ASN 28 -3.323 -1.093 18.694 234 HB2 ASN 28 HB2 ASN 28 -5.678 -0.014 20.229 235 HB3 ASN 28 HB1 ASN 28 -5.695 -1.585 19.434 236 HD21 ASN 28 HD21 ASN 28 -2.953 -2.341 19.966 237 HD22 ASN 28 HD22 ASN 28 -2.804 -2.587 21.639 238 H LEU 29 HN LEU 29 -5.581 1.595 18.343 239 HA LEU 29 HA LEU 29 -6.800 0.600 15.967 240 HB2 LEU 29 HB2 LEU 29 -6.693 3.475 16.880 241 HB3 LEU 29 HB1 LEU 29 -7.890 2.726 15.821 242 HG LEU 29 HG LEU 29 -7.401 1.925 18.680 243 HD11 LEU 29 HD11 LEU 29 -9.520 3.699 17.439 244 HD12 LEU 29 HD12 LEU 29 -8.337 4.157 18.664 245 HD13 LEU 29 HD13 LEU 29 -9.638 3.038 19.068 246 HD21 LEU 29 HD21 LEU 29 -8.368 0.053 17.605 247 HD22 LEU 29 HD22 LEU 29 -9.359 1.055 16.547 248 HD23 LEU 29 HD23 LEU 29 -9.775 0.893 18.252 249 H GLN 30 HN GLN 30 -4.222 2.950 16.684 250 HA GLN 30 HA GLN 30 -3.866 3.593 13.912 251 HB2 GLN 30 HB2 GLN 30 -2.056 4.032 16.280 252 HB3 GLN 30 HB1 GLN 30 -1.765 4.670 14.665 253 HG2 GLN 30 HG2 GLN 30 -4.314 5.200 16.202 254 HG3 GLN 30 HG1 GLN 30 -2.924 6.286 16.231 255 HE21 GLN 30 HE21 GLN 30 -5.827 6.168 14.847 256 HE22 GLN 30 HE22 GLN 30 -5.484 6.796 13.308 257 H ASN 31 HN ASN 31 -2.559 1.119 16.008 258 HA ASN 31 HA ASN 31 -0.298 0.475 14.429 259 HB2 ASN 31 HB2 ASN 31 -0.400 -0.413 16.665 260 HB3 ASN 31 HB1 ASN 31 -1.912 -1.253 16.316 261 HD21 ASN 31 HD21 ASN 31 -1.427 -3.457 16.224 262 HD22 ASN 31 HD22 ASN 31 -0.093 -4.122 15.411 263 H LEU 32 HN LEU 32 -3.616 -0.700 14.402 264 HA LEU 32 HA LEU 32 -3.240 -2.633 12.390 265 HB2 LEU 32 HB2 LEU 32 -5.705 -1.120 13.249 266 HB3 LEU 32 HB1 LEU 32 -5.728 -2.448 12.095 267 HG LEU 32 HG LEU 32 -4.605 -2.687 14.902 268 HD11 LEU 32 HD11 LEU 32 -7.349 -3.427 13.846 269 HD12 LEU 32 HD12 LEU 32 -6.989 -2.153 15.011 270 HD13 LEU 32 HD13 LEU 32 -6.730 -3.842 15.444 271 HD21 LEU 32 HD21 LEU 32 -5.119 -4.622 12.625 272 HD22 LEU 32 HD22 LEU 32 -5.212 -5.206 14.283 273 HD23 LEU 32 HD23 LEU 32 -3.717 -4.503 13.684 274 H PHE 33 HN PHE 33 -4.342 0.721 12.298 275 HA PHE 33 HA PHE 33 -4.718 0.827 9.495 276 HB2 PHE 33 HB2 PHE 33 -5.706 2.496 10.975 277 HB3 PHE 33 HB1 PHE 33 -4.100 3.046 11.455 278 HD1 PHE 33 HD1 PHE 33 -6.351 2.659 8.488 279 HD2 PHE 33 HD2 PHE 33 -2.926 4.642 10.162 280 HE1 PHE 33 HE1 PHE 33 -6.276 4.186 6.533 281 HE2 PHE 33 HE2 PHE 33 -2.854 6.165 8.210 282 HZ PHE 33 HZ PHE 33 -4.526 5.938 6.395 283 H ILE 34 HN ILE 34 -2.044 1.915 11.554 284 HA ILE 34 HA ILE 34 -0.347 2.748 9.459 285 HB ILE 34 HB ILE 34 0.270 1.860 12.286 286 HG12 ILE 34 HG12 ILE 34 0.321 4.625 11.046 287 HG13 ILE 34 HG11 ILE 34 -1.110 3.966 11.839 288 HG21 ILE 34 HG21 ILE 34 2.312 1.537 11.113 289 HG22 ILE 34 HG22 ILE 34 2.450 3.139 11.834 290 HG23 ILE 34 HG23 ILE 34 2.061 2.971 10.121 291 HD11 ILE 34 HD3 ILE 34 1.615 4.375 13.103 292 HD12 ILE 34 HD1 ILE 34 0.245 3.599 13.899 293 HD13 ILE 34 HD2 ILE 34 0.154 5.301 13.443 294 H ASN 35 HN ASN 35 -0.495 -0.356 11.237 295 HA ASN 35 HA ASN 35 1.610 -1.548 9.780 296 HB2 ASN 35 HB2 ASN 35 0.786 -2.328 12.014 297 HB3 ASN 35 HB1 ASN 35 -0.646 -2.959 11.199 298 HD21 ASN 35 HD21 ASN 35 -0.165 -5.209 11.510 299 HD22 ASN 35 HD22 ASN 35 1.172 -5.963 10.785 300 H PHE 36 HN PHE 36 -1.929 -1.761 9.529 301 HA PHE 36 HA PHE 36 -1.859 -3.471 7.282 302 HB2 PHE 36 HB2 PHE 36 -3.829 -3.192 8.797 303 HB3 PHE 36 HB1 PHE 36 -4.121 -1.633 8.021 304 HD1 PHE 36 HD1 PHE 36 -3.458 -5.213 7.110 305 HD2 PHE 36 HD2 PHE 36 -5.552 -1.581 6.159 306 HE1 PHE 36 HE1 PHE 36 -4.636 -6.373 5.262 307 HE2 PHE 36 HE2 PHE 36 -6.726 -2.744 4.314 308 HZ PHE 36 HZ PHE 36 -6.270 -5.138 3.864 309 H ALA 37 HN ALA 37 -1.805 0.036 7.558 310 HA ALA 37 HA ALA 37 -2.367 0.467 4.783 311 HB1 ALA 37 HB1 ALA 37 -2.881 2.202 6.426 312 HB2 ALA 37 HB2 ALA 37 -1.708 2.793 5.250 313 HB3 ALA 37 HB3 ALA 37 -1.174 2.313 6.859 314 H LEU 38 HN LEU 38 0.488 0.131 6.786 315 HA LEU 38 HA LEU 38 2.354 1.023 4.861 316 HB2 LEU 38 HB2 LEU 38 2.576 -0.710 7.306 317 HB3 LEU 38 HB1 LEU 38 3.969 -0.499 6.254 318 HG LEU 38 HG LEU 38 2.425 1.876 7.338 319 HD11 LEU 38 HD11 LEU 38 4.853 0.547 8.588 320 HD12 LEU 38 HD12 LEU 38 3.213 0.464 9.232 321 HD13 LEU 38 HD13 LEU 38 4.054 2.011 9.162 322 HD21 LEU 38 HD21 LEU 38 5.175 1.461 6.098 323 HD22 LEU 38 HD22 LEU 38 4.809 2.890 7.056 324 HD23 LEU 38 HD23 LEU 38 3.903 2.570 5.587 325 H ILE 39 HN ILE 39 0.894 -2.134 5.456 326 HA ILE 39 HA ILE 39 2.596 -3.565 3.668 327 HB ILE 39 HB ILE 39 -0.221 -4.108 4.634 328 HG12 ILE 39 HG12 ILE 39 1.487 -4.191 6.400 329 HG13 ILE 39 HG11 ILE 39 0.886 -5.805 6.063 330 HG21 ILE 39 HG21 ILE 39 1.602 -5.757 2.884 331 HG22 ILE 39 HG22 ILE 39 -0.084 -5.318 2.611 332 HG23 ILE 39 HG23 ILE 39 0.328 -6.494 3.858 333 HD11 ILE 39 HD3 ILE 39 3.158 -6.231 6.105 334 HD12 ILE 39 HD1 ILE 39 3.580 -4.624 5.527 335 HD13 ILE 39 HD2 ILE 39 2.992 -5.839 4.397 336 H LEU 40 HN LEU 40 -0.534 -1.971 3.327 337 HA LEU 40 HA LEU 40 -0.828 -2.615 0.546 338 HB2 LEU 40 HB2 LEU 40 -2.196 -0.554 2.271 339 HB3 LEU 40 HB1 LEU 40 -2.643 -0.889 0.601 340 HG LEU 40 HG LEU 40 -2.591 -2.977 2.798 341 HD11 LEU 40 HD11 LEU 40 -4.317 -1.472 3.409 342 HD12 LEU 40 HD12 LEU 40 -5.138 -2.760 2.529 343 HD13 LEU 40 HD13 LEU 40 -4.812 -1.223 1.733 344 HD21 LEU 40 HD21 LEU 40 -2.493 -4.212 0.804 345 HD22 LEU 40 HD22 LEU 40 -3.348 -2.989 -0.131 346 HD23 LEU 40 HD23 LEU 40 -4.236 -4.039 0.969 347 H ILE 41 HN ILE 41 0.096 0.365 2.243 348 HA ILE 41 HA ILE 41 0.521 1.923 -0.057 349 HB ILE 41 HB ILE 41 1.558 2.113 2.766 350 HG12 ILE 41 HG12 ILE 41 -0.879 2.439 2.447 351 HG13 ILE 41 HG11 ILE 41 -0.098 3.926 2.957 352 HG21 ILE 41 HG21 ILE 41 3.189 3.277 1.540 353 HG22 ILE 41 HG22 ILE 41 2.076 4.522 2.104 354 HG23 ILE 41 HG23 ILE 41 1.999 3.958 0.435 355 HD11 ILE 41 HD3 ILE 41 -1.298 4.826 1.235 356 HD12 ILE 41 HD1 ILE 41 -1.484 3.279 0.423 357 HD13 ILE 41 HD2 ILE 41 -0.001 4.204 0.219 358 H PHE 42 HN PHE 42 2.856 0.071 1.944 359 HA PHE 42 HA PHE 42 5.142 0.757 0.485 360 HB2 PHE 42 HB2 PHE 42 5.204 -0.418 2.647 361 HB3 PHE 42 HB1 PHE 42 4.541 -1.862 1.880 362 HD1 PHE 42 HD1 PHE 42 7.410 0.514 1.780 363 HD2 PHE 42 HD2 PHE 42 5.960 -3.392 0.736 364 HE1 PHE 42 HE1 PHE 42 9.697 -0.149 1.092 365 HE2 PHE 42 HE2 PHE 42 8.248 -4.056 0.047 366 HZ PHE 42 HZ PHE 42 10.116 -2.434 0.225 367 H LEU 43 HN LEU 43 2.921 -1.986 0.055 368 HA LEU 43 HA LEU 43 4.258 -3.102 -2.168 369 HB2 LEU 43 HB2 LEU 43 1.412 -3.326 -1.204 370 HB3 LEU 43 HB1 LEU 43 2.034 -4.241 -2.572 371 HG LEU 43 HG LEU 43 3.285 -4.296 0.191 372 HD11 LEU 43 HD11 LEU 43 1.403 -6.321 -1.060 373 HD12 LEU 43 HD12 LEU 43 0.943 -5.164 0.187 374 HD13 LEU 43 HD13 LEU 43 2.132 -6.416 0.543 375 HD21 LEU 43 HD21 LEU 43 3.778 -5.762 -2.413 376 HD22 LEU 43 HD22 LEU 43 4.083 -6.608 -0.898 377 HD23 LEU 43 HD23 LEU 43 4.943 -5.120 -1.256 378 H LEU 44 HN LEU 44 1.594 -0.779 -1.894 379 HA LEU 44 HA LEU 44 1.071 -0.597 -4.667 380 HB2 LEU 44 HB2 LEU 44 0.455 1.134 -2.291 381 HB3 LEU 44 HB1 LEU 44 0.010 1.644 -3.914 382 HG LEU 44 HG LEU 44 -0.783 -1.047 -2.754 383 HD11 LEU 44 HD11 LEU 44 -2.996 -0.002 -2.312 384 HD12 LEU 44 HD12 LEU 44 -2.324 1.567 -2.759 385 HD13 LEU 44 HD13 LEU 44 -1.712 0.718 -1.339 386 HD21 LEU 44 HD21 LEU 44 -2.693 -0.592 -4.547 387 HD22 LEU 44 HD22 LEU 44 -1.132 -1.178 -5.090 388 HD23 LEU 44 HD23 LEU 44 -1.522 0.531 -5.237 389 H LEU 45 HN LEU 45 3.217 1.229 -2.475 390 HA LEU 45 HA LEU 45 3.916 3.248 -4.290 391 HB2 LEU 45 HB2 LEU 45 5.263 2.095 -1.876 392 HB3 LEU 45 HB1 LEU 45 6.053 3.356 -2.814 393 HG LEU 45 HG LEU 45 3.255 3.609 -1.660 394 HD11 LEU 45 HD11 LEU 45 5.030 3.342 0.088 395 HD12 LEU 45 HD12 LEU 45 4.248 4.920 0.129 396 HD13 LEU 45 HD13 LEU 45 5.851 4.751 -0.584 397 HD21 LEU 45 HD21 LEU 45 5.104 5.444 -3.198 398 HD22 LEU 45 HD22 LEU 45 4.061 6.159 -1.972 399 HD23 LEU 45 HD23 LEU 45 3.355 5.272 -3.313 400 H ILE 46 HN ILE 46 5.432 0.082 -3.759 401 HA ILE 46 HA ILE 46 7.590 0.621 -5.531 402 HB ILE 46 HB ILE 46 7.838 -1.191 -3.973 403 HG12 ILE 46 HG12 ILE 46 7.510 -2.448 -6.713 404 HG13 ILE 46 HG11 ILE 46 8.857 -1.390 -6.287 405 HG21 ILE 46 HG21 ILE 46 6.443 -3.265 -4.223 406 HG22 ILE 46 HG22 ILE 46 5.393 -2.361 -5.310 407 HG23 ILE 46 HG23 ILE 46 5.573 -1.855 -3.632 408 HD11 ILE 46 HD3 ILE 46 8.131 -3.966 -4.861 409 HD12 ILE 46 HD1 ILE 46 9.477 -2.904 -4.445 410 HD13 ILE 46 HD2 ILE 46 9.474 -3.761 -5.987 411 H ALA 47 HN ALA 47 4.365 -0.694 -5.947 412 HA ALA 47 HA ALA 47 4.653 -1.496 -8.648 413 HB1 ALA 47 HB1 ALA 47 2.177 -1.400 -8.706 414 HB2 ALA 47 HB2 ALA 47 2.197 -0.630 -7.119 415 HB3 ALA 47 HB3 ALA 47 2.794 -2.279 -7.307 416 H ILE 48 HN ILE 48 3.357 1.521 -7.220 417 HA ILE 48 HA ILE 48 2.811 2.798 -9.682 418 HB ILE 48 HB ILE 48 3.343 3.927 -6.934 419 HG12 ILE 48 HG12 ILE 48 1.331 2.518 -7.086 420 HG13 ILE 48 HG11 ILE 48 0.882 4.202 -6.872 421 HG21 ILE 48 HG21 ILE 48 2.444 5.299 -9.473 422 HG22 ILE 48 HG22 ILE 48 3.797 5.725 -8.425 423 HG23 ILE 48 HG23 ILE 48 2.143 5.973 -7.870 424 HD11 ILE 48 HD3 ILE 48 0.526 2.419 -9.247 425 HD12 ILE 48 HD1 ILE 48 0.801 4.130 -9.559 426 HD13 ILE 48 HD2 ILE 48 -0.568 3.626 -8.580 427 H ILE 49 HN ILE 49 5.694 2.977 -7.583 428 HA ILE 49 HA ILE 49 7.039 4.921 -9.137 429 HB ILE 49 HB ILE 49 8.069 2.785 -7.312 430 HG12 ILE 49 HG12 ILE 49 6.715 4.526 -6.205 431 HG13 ILE 49 HG11 ILE 49 8.396 4.661 -5.722 432 HG21 ILE 49 HG21 ILE 49 9.920 3.261 -8.710 433 HG22 ILE 49 HG22 ILE 49 10.176 4.239 -7.265 434 HG23 ILE 49 HG23 ILE 49 9.555 4.986 -8.737 435 HD11 ILE 49 HD3 ILE 49 8.374 6.371 -7.854 436 HD12 ILE 49 HD1 ILE 49 8.035 6.868 -6.197 437 HD13 ILE 49 HD2 ILE 49 6.712 6.522 -7.301 438 H VAL 50 HN VAL 50 7.114 1.401 -9.212 439 HA VAL 50 HA VAL 50 9.068 1.169 -11.233 440 HB VAL 50 HB VAL 50 6.815 -0.669 -10.378 441 HG11 VAL 50 HG11 VAL 50 8.159 -2.410 -11.682 442 HG12 VAL 50 HG12 VAL 50 8.981 -1.058 -12.459 443 HG13 VAL 50 HG13 VAL 50 7.242 -1.264 -12.661 444 HG21 VAL 50 HG21 VAL 50 9.809 -1.028 -10.074 445 HG22 VAL 50 HG22 VAL 50 8.516 -1.848 -9.200 446 HG23 VAL 50 HG23 VAL 50 8.856 -0.149 -8.878 447 H MET 51 HN MET 51 5.511 1.384 -11.335 448 HA MET 51 HA MET 51 5.252 1.133 -14.123 449 HB2 MET 51 HB2 MET 51 3.511 2.300 -11.955 450 HB3 MET 51 HB1 MET 51 3.026 2.354 -13.648 451 HG2 MET 51 HG2 MET 51 3.782 -0.195 -12.194 452 HG3 MET 51 HG1 MET 51 2.127 0.371 -12.393 453 HE1 MET 51 HE1 MET 51 3.951 -2.402 -13.605 454 HE2 MET 51 HE2 MET 51 5.211 -1.196 -13.841 455 HE3 MET 51 HE3 MET 51 4.570 -2.062 -15.234 456 H LEU 52 HN LEU 52 5.989 3.914 -12.010 457 HA LEU 52 HA LEU 52 5.396 5.910 -13.917 458 HB2 LEU 52 HB2 LEU 52 7.190 5.823 -11.512 459 HB3 LEU 52 HB1 LEU 52 7.238 7.228 -12.572 460 HG LEU 52 HG LEU 52 4.706 6.140 -11.294 461 HD11 LEU 52 HD11 LEU 52 6.663 8.263 -10.413 462 HD12 LEU 52 HD12 LEU 52 5.953 6.950 -9.477 463 HD13 LEU 52 HD13 LEU 52 4.968 8.333 -9.928 464 HD21 LEU 52 HD21 LEU 52 4.120 8.727 -11.901 465 HD22 LEU 52 HD22 LEU 52 3.871 7.427 -13.052 466 HD23 LEU 52 HD23 LEU 52 5.318 8.426 -13.165 467 H LEU 53 HN LEU 53 8.339 4.000 -13.434 468 HA LEU 53 HA LEU 53 9.726 5.428 -15.544 469 HB2 LEU 53 HB2 LEU 53 10.535 2.898 -14.104 470 HB3 LEU 53 HB1 LEU 53 11.575 3.962 -15.050 471 HG LEU 53 HG LEU 53 10.123 4.725 -12.500 472 HD11 LEU 53 HD11 LEU 53 12.530 4.912 -11.668 473 HD12 LEU 53 HD12 LEU 53 12.999 4.025 -13.119 474 HD13 LEU 53 HD13 LEU 53 11.930 3.275 -11.934 475 HD21 LEU 53 HD21 LEU 53 11.832 6.264 -14.470 476 HD22 LEU 53 HD22 LEU 53 11.810 6.736 -12.770 477 HD23 LEU 53 HD23 LEU 53 10.317 6.744 -13.704 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 -18.550 -28.099 18.191 2 H2 ALA 1 HT2 ALA 1 -18.117 -27.939 16.558 3 H3 ALA 1 HT3 ALA 1 -19.726 -28.296 16.985 4 HA ALA 1 HA ALA 1 -19.661 -26.089 18.254 5 HB1 ALA 1 HB1 ALA 1 -17.278 -25.888 16.410 6 HB2 ALA 1 HB2 ALA 1 -17.308 -25.648 18.158 7 HB3 ALA 1 HB3 ALA 1 -18.084 -24.475 17.091 8 H MET 2 HN MET 2 -20.715 -27.822 16.026 9 HA MET 2 HA MET 2 -21.178 -26.178 13.738 10 HB2 MET 2 HB2 MET 2 -22.570 -28.619 14.848 11 HB3 MET 2 HB1 MET 2 -23.111 -27.820 13.371 12 HG2 MET 2 HG2 MET 2 -20.873 -28.111 12.383 13 HG3 MET 2 HG1 MET 2 -20.321 -28.908 13.852 14 HE1 MET 2 HE1 MET 2 -20.654 -31.113 14.540 15 HE2 MET 2 HE2 MET 2 -21.772 -32.315 13.914 16 HE3 MET 2 HE3 MET 2 -22.397 -30.954 14.833 17 H GLU 3 HN GLU 3 -22.979 -26.794 16.710 18 HA GLU 3 HA GLU 3 -25.198 -25.114 15.991 19 HB2 GLU 3 HB2 GLU 3 -25.384 -27.020 17.582 20 HB3 GLU 3 HB1 GLU 3 -24.376 -26.127 18.722 21 HG2 GLU 3 HG2 GLU 3 -26.015 -24.303 18.789 22 HG3 GLU 3 HG1 GLU 3 -27.008 -25.139 17.598 23 H LYS 4 HN LYS 4 -22.156 -24.684 17.685 24 HA LYS 4 HA LYS 4 -22.716 -22.245 18.988 25 HB2 LYS 4 HB2 LYS 4 -20.119 -23.363 17.933 26 HB3 LYS 4 HB1 LYS 4 -20.233 -21.917 18.933 27 HG2 LYS 4 HG2 LYS 4 -21.329 -23.218 20.713 28 HG3 LYS 4 HG1 LYS 4 -21.214 -24.675 19.726 29 HD2 LYS 4 HD2 LYS 4 -18.760 -24.486 19.710 30 HD3 LYS 4 HD1 LYS 4 -18.863 -23.027 20.690 31 HE2 LYS 4 HE2 LYS 4 -19.945 -24.301 22.499 32 HE3 LYS 4 HE1 LYS 4 -19.848 -25.767 21.523 33 HZ1 LYS 4 HZ1 LYS 4 -17.397 -24.224 22.012 34 HZ2 LYS 4 HZ2 LYS 4 -17.591 -25.893 21.753 35 HZ3 LYS 4 HZ3 LYS 4 -17.996 -25.208 23.254 36 H VAL 5 HN VAL 5 -22.681 -22.914 15.711 37 HA VAL 5 HA VAL 5 -21.445 -20.640 14.615 38 HB VAL 5 HB VAL 5 -23.733 -22.326 13.591 39 HG11 VAL 5 HG11 VAL 5 -23.898 -20.255 12.424 40 HG12 VAL 5 HG12 VAL 5 -22.992 -21.325 11.350 41 HG13 VAL 5 HG13 VAL 5 -22.144 -20.101 12.299 42 HG21 VAL 5 HG21 VAL 5 -20.842 -22.258 12.702 43 HG22 VAL 5 HG22 VAL 5 -22.056 -23.473 12.327 44 HG23 VAL 5 HG23 VAL 5 -21.415 -23.346 13.962 45 H GLN 6 HN GLN 6 -24.742 -21.233 15.673 46 HA GLN 6 HA GLN 6 -25.828 -18.741 14.920 47 HB2 GLN 6 HB2 GLN 6 -26.651 -20.712 17.053 48 HB3 GLN 6 HB1 GLN 6 -27.613 -19.311 16.579 49 HG2 GLN 6 HG2 GLN 6 -27.766 -20.124 14.296 50 HG3 GLN 6 HG1 GLN 6 -26.702 -21.477 14.673 51 HE21 GLN 6 HE21 GLN 6 -29.939 -20.672 14.336 52 HE22 GLN 6 HE22 GLN 6 -30.615 -21.904 15.284 53 H TYR 7 HN TYR 7 -24.280 -19.885 17.863 54 HA TYR 7 HA TYR 7 -24.787 -17.664 19.515 55 HB2 TYR 7 HB2 TYR 7 -23.936 -19.739 20.423 56 HB3 TYR 7 HB1 TYR 7 -22.456 -19.592 19.481 57 HD1 TYR 7 HD2 TYR 7 -24.442 -18.022 22.216 58 HD2 TYR 7 HD1 TYR 7 -20.638 -18.250 20.229 59 HE1 TYR 7 HE2 TYR 7 -23.411 -16.675 24.033 60 HE2 TYR 7 HE1 TYR 7 -19.611 -16.911 22.042 61 HH TYR 7 HH TYR 7 -19.913 -15.983 24.049 62 H LEU 8 HN LEU 8 -21.973 -18.383 17.452 63 HA LEU 8 HA LEU 8 -20.519 -16.051 17.978 64 HB2 LEU 8 HB2 LEU 8 -20.678 -17.745 15.478 65 HB3 LEU 8 HB1 LEU 8 -19.486 -16.475 15.716 66 HG LEU 8 HG LEU 8 -19.850 -18.789 17.639 67 HD11 LEU 8 HD11 LEU 8 -17.885 -19.800 16.548 68 HD12 LEU 8 HD12 LEU 8 -17.877 -18.500 15.360 69 HD13 LEU 8 HD13 LEU 8 -19.227 -19.629 15.416 70 HD21 LEU 8 HD21 LEU 8 -17.337 -18.072 18.073 71 HD22 LEU 8 HD22 LEU 8 -18.625 -17.117 18.784 72 HD23 LEU 8 HD23 LEU 8 -17.821 -16.553 17.326 73 H THR 9 HN THR 9 -23.075 -16.685 15.586 74 HA THR 9 HA THR 9 -22.931 -14.176 14.285 75 HB THR 9 HB THR 9 -25.437 -15.842 14.643 76 HG1 THR 9 HG1 THR 9 -23.088 -16.312 13.278 77 HG21 THR 9 HG21 THR 9 -24.503 -14.012 12.410 78 HG22 THR 9 HG22 THR 9 -25.671 -13.578 13.658 79 HG23 THR 9 HG23 THR 9 -26.054 -14.850 12.501 80 H ARG 10 HN ARG 10 -24.833 -15.356 17.027 81 HA ARG 10 HA ARG 10 -26.374 -13.061 17.511 82 HB2 ARG 10 HB2 ARG 10 -26.771 -15.270 18.573 83 HB3 ARG 10 HB1 ARG 10 -25.313 -15.042 19.540 84 HG2 ARG 10 HG2 ARG 10 -26.300 -12.973 20.508 85 HG3 ARG 10 HG1 ARG 10 -27.778 -13.274 19.587 86 HD2 ARG 10 HD2 ARG 10 -26.592 -15.213 21.591 87 HD3 ARG 10 HD1 ARG 10 -27.899 -14.095 21.950 88 HE ARG 10 HE ARG 10 -28.081 -16.532 20.381 89 HH11 ARG 10 HH21 ARG 10 -29.434 -13.449 21.182 90 HH12 ARG 10 HH22 ARG 10 -31.041 -13.868 20.688 91 HH21 ARG 10 HH11 ARG 10 -30.193 -17.093 19.727 92 HH22 ARG 10 HH12 ARG 10 -31.468 -15.930 19.861 93 H SER 11 HN SER 11 -23.172 -13.986 18.652 94 HA SER 11 HA SER 11 -22.802 -11.685 20.307 95 HB2 SER 11 HB2 SER 11 -20.435 -12.386 20.334 96 HB3 SER 11 HB1 SER 11 -21.522 -13.727 20.678 97 HG SER 11 HG1 SER 11 -19.702 -13.567 18.790 98 H ALA 12 HN ALA 12 -22.336 -12.440 16.990 99 HA ALA 12 HA ALA 12 -20.530 -10.428 16.237 100 HB1 ALA 12 HB1 ALA 12 -21.380 -12.420 14.848 101 HB2 ALA 12 HB2 ALA 12 -21.094 -10.893 14.005 102 HB3 ALA 12 HB3 ALA 12 -22.737 -11.374 14.425 103 H ILE 13 HN ILE 13 -24.012 -10.456 16.535 104 HA ILE 13 HA ILE 13 -24.274 -7.725 15.630 105 HB ILE 13 HB ILE 13 -26.115 -9.239 15.161 106 HG12 ILE 13 HG12 ILE 13 -27.013 -7.265 17.272 107 HG13 ILE 13 HG11 ILE 13 -26.472 -6.766 15.669 108 HG21 ILE 13 HG21 ILE 13 -26.084 -10.809 16.913 109 HG22 ILE 13 HG22 ILE 13 -27.581 -9.911 17.161 110 HG23 ILE 13 HG23 ILE 13 -26.166 -9.564 18.155 111 HD11 ILE 13 HD3 ILE 13 -28.789 -8.625 16.272 112 HD12 ILE 13 HD1 ILE 13 -28.198 -8.241 14.653 113 HD13 ILE 13 HD2 ILE 13 -28.900 -6.975 15.665 114 H ARG 14 HN ARG 14 -23.831 -9.326 18.648 115 HA ARG 14 HA ARG 14 -24.804 -7.304 20.376 116 HB2 ARG 14 HB2 ARG 14 -24.102 -9.566 21.169 117 HB3 ARG 14 HB1 ARG 14 -22.421 -9.133 20.842 118 HG2 ARG 14 HG2 ARG 14 -22.494 -7.352 22.480 119 HG3 ARG 14 HG1 ARG 14 -24.227 -7.576 22.719 120 HD2 ARG 14 HD2 ARG 14 -23.015 -8.667 24.531 121 HD3 ARG 14 HD1 ARG 14 -23.789 -9.890 23.527 122 HE ARG 14 HE ARG 14 -21.099 -9.356 22.671 123 HH11 ARG 14 HH21 ARG 14 -23.052 -10.969 25.032 124 HH12 ARG 14 HH22 ARG 14 -21.882 -12.205 25.360 125 HH21 ARG 14 HH11 ARG 14 -19.561 -10.986 23.096 126 HH22 ARG 14 HH12 ARG 14 -19.913 -12.218 24.270 127 H ARG 15 HN ARG 15 -21.732 -7.853 18.840 128 HA ARG 15 HA ARG 15 -20.168 -5.786 19.824 129 HB2 ARG 15 HB2 ARG 15 -20.333 -6.890 17.014 130 HB3 ARG 15 HB1 ARG 15 -19.030 -5.862 17.598 131 HG2 ARG 15 HG2 ARG 15 -18.400 -7.474 19.275 132 HG3 ARG 15 HG1 ARG 15 -19.807 -8.469 18.897 133 HD2 ARG 15 HD2 ARG 15 -17.858 -9.435 17.798 134 HD3 ARG 15 HD1 ARG 15 -18.937 -8.765 16.579 135 HE ARG 15 HE ARG 15 -17.000 -6.827 17.377 136 HH11 ARG 15 HH21 ARG 15 -17.449 -9.746 15.574 137 HH12 ARG 15 HH22 ARG 15 -16.161 -9.426 14.468 138 HH21 ARG 15 HH11 ARG 15 -15.309 -6.396 15.924 139 HH22 ARG 15 HH12 ARG 15 -14.942 -7.526 14.662 140 H ALA 16 HN ALA 16 -22.669 -5.697 17.371 141 HA ALA 16 HA ALA 16 -22.268 -3.096 16.386 142 HB1 ALA 16 HB1 ALA 16 -25.000 -4.319 16.845 143 HB2 ALA 16 HB2 ALA 16 -23.948 -4.824 15.526 144 HB3 ALA 16 HB3 ALA 16 -24.523 -3.163 15.603 145 H SER 17 HN SER 17 -23.481 -4.340 19.330 146 HA SER 17 HA SER 17 -24.819 -1.989 20.263 147 HB2 SER 17 HB2 SER 17 -25.072 -4.443 21.085 148 HB3 SER 17 HB1 SER 17 -23.695 -4.073 22.119 149 HG SER 17 HG1 SER 17 -25.785 -3.609 23.053 150 H THR 18 HN THR 18 -21.690 -3.449 21.382 151 HA THR 18 HA THR 18 -20.713 -0.702 21.903 152 HB THR 18 HB THR 18 -21.300 -1.312 24.075 153 HG1 THR 18 HG1 THR 18 -19.126 -0.800 24.045 154 HG21 THR 18 HG21 THR 18 -20.480 -4.099 23.255 155 HG22 THR 18 HG22 THR 18 -22.071 -3.530 23.764 156 HG23 THR 18 HG23 THR 18 -20.762 -3.648 24.937 157 H ILE 19 HN ILE 19 -20.136 -3.279 20.115 158 HA ILE 19 HA ILE 19 -18.035 -4.598 19.795 159 HB ILE 19 HB ILE 19 -18.785 -3.565 17.757 160 HG12 ILE 19 HG12 ILE 19 -15.859 -2.902 18.022 161 HG13 ILE 19 HG11 ILE 19 -16.457 -4.545 17.868 162 HG21 ILE 19 HG21 ILE 19 -17.257 -1.073 18.431 163 HG22 ILE 19 HG22 ILE 19 -18.975 -1.264 18.795 164 HG23 ILE 19 HG23 ILE 19 -18.412 -1.335 17.128 165 HD11 ILE 19 HD3 ILE 19 -15.765 -3.502 15.686 166 HD12 ILE 19 HD1 ILE 19 -17.083 -2.344 15.888 167 HD13 ILE 19 HD2 ILE 19 -17.438 -4.066 15.718 168 H GLU 20 HN GLU 20 -16.406 -4.936 21.050 169 HA GLU 20 HA GLU 20 -14.966 -4.159 22.870 170 HB2 GLU 20 HB2 GLU 20 -14.014 -5.716 21.222 171 HB3 GLU 20 HB1 GLU 20 -13.438 -4.351 20.275 172 HG2 GLU 20 HG2 GLU 20 -12.004 -3.625 22.102 173 HG3 GLU 20 HG1 GLU 20 -12.665 -4.858 23.161 174 H MET 21 HN MET 21 -13.007 -2.633 20.490 175 HA MET 21 HA MET 21 -11.726 -0.689 21.231 176 HB2 MET 21 HB2 MET 21 -12.762 1.056 19.678 177 HB3 MET 21 HB1 MET 21 -12.307 -0.496 18.966 178 HG2 MET 21 HG2 MET 21 -14.541 -1.259 18.952 179 HG3 MET 21 HG1 MET 21 -15.092 0.039 19.996 180 HE1 MET 21 HE1 MET 21 -14.161 0.083 15.540 181 HE2 MET 21 HE2 MET 21 -15.021 -1.173 16.420 182 HE3 MET 21 HE3 MET 21 -13.325 -0.865 16.785 183 HA PRO 22 HA PRO 22 -14.459 1.390 24.265 184 HB2 PRO 22 HB2 PRO 22 -13.275 0.717 26.561 185 HB3 PRO 22 HB1 PRO 22 -14.281 -0.468 25.685 186 HG2 PRO 22 HG2 PRO 22 -11.308 -0.285 25.836 187 HG3 PRO 22 HG1 PRO 22 -12.340 -1.731 25.774 188 HD2 PRO 22 HD2 PRO 22 -11.013 -0.551 23.549 189 HD3 PRO 22 HD1 PRO 22 -12.300 -1.776 23.463 190 H GLN 23 HN GLN 23 -10.922 1.051 24.698 191 HA GLN 23 HA GLN 23 -10.505 3.902 24.315 192 HB2 GLN 23 HB2 GLN 23 -10.004 2.578 26.989 193 HB3 GLN 23 HB1 GLN 23 -9.285 4.112 26.511 194 HG2 GLN 23 HG2 GLN 23 -11.650 4.963 26.098 195 HG3 GLN 23 HG1 GLN 23 -12.223 3.484 26.858 196 HE21 GLN 23 HE21 GLN 23 -13.011 4.268 28.841 197 HE22 GLN 23 HE22 GLN 23 -12.054 5.122 29.958 198 H GLN 24 HN GLN 24 -9.255 0.633 24.808 199 HA GLN 24 HA GLN 24 -6.527 1.502 24.029 200 HB2 GLN 24 HB2 GLN 24 -7.597 -1.031 25.317 201 HB3 GLN 24 HB1 GLN 24 -5.920 -0.813 24.799 202 HG2 GLN 24 HG2 GLN 24 -5.671 1.114 26.278 203 HG3 GLN 24 HG1 GLN 24 -7.359 0.993 26.755 204 HE21 GLN 24 HE21 GLN 24 -5.931 0.852 28.939 205 HE22 GLN 24 HE22 GLN 24 -5.622 -0.732 29.464 206 H ALA 25 HN ALA 25 -8.434 -1.409 23.625 207 HA ALA 25 HA ALA 25 -7.436 -2.346 21.262 208 HB1 ALA 25 HB1 ALA 25 -10.094 -2.462 22.576 209 HB2 ALA 25 HB2 ALA 25 -8.998 -3.787 22.200 210 HB3 ALA 25 HB3 ALA 25 -10.003 -3.080 20.927 211 H ARG 26 HN ARG 26 -9.367 0.453 21.794 212 HA ARG 26 HA ARG 26 -10.417 0.871 19.237 213 HB2 ARG 26 HB2 ARG 26 -11.197 1.993 21.286 214 HB3 ARG 26 HB1 ARG 26 -9.670 2.869 21.377 215 HG2 ARG 26 HG2 ARG 26 -10.094 3.890 19.219 216 HG3 ARG 26 HG1 ARG 26 -11.581 2.975 19.056 217 HD2 ARG 26 HD2 ARG 26 -12.421 4.070 21.150 218 HD3 ARG 26 HD1 ARG 26 -10.973 5.074 21.146 219 HE ARG 26 HE ARG 26 -13.264 5.305 19.356 220 HH11 ARG 26 HH21 ARG 26 -9.956 6.065 20.017 221 HH12 ARG 26 HH22 ARG 26 -9.926 7.465 18.998 222 HH21 ARG 26 HH11 ARG 26 -13.238 7.146 18.013 223 HH22 ARG 26 HH12 ARG 26 -11.785 8.076 17.866 224 H GLN 27 HN GLN 27 -7.300 1.986 20.795 225 HA GLN 27 HA GLN 27 -6.537 3.328 18.362 226 HB2 GLN 27 HB2 GLN 27 -5.157 2.821 21.002 227 HB3 GLN 27 HB1 GLN 27 -4.408 3.687 19.663 228 HG2 GLN 27 HG2 GLN 27 -6.247 5.327 19.675 229 HG3 GLN 27 HG1 GLN 27 -7.011 4.464 21.011 230 HE21 GLN 27 HE21 GLN 27 -5.010 7.079 20.362 231 HE22 GLN 27 HE22 GLN 27 -4.228 7.195 21.865 232 H ASN 28 HN ASN 28 -5.850 0.287 20.066 233 HA ASN 28 HA ASN 28 -3.573 -0.420 18.488 234 HB2 ASN 28 HB2 ASN 28 -5.578 -2.165 19.913 235 HB3 ASN 28 HB1 ASN 28 -4.107 -2.770 19.164 236 HD21 ASN 28 HD21 ASN 28 -4.528 -3.039 21.980 237 HD22 ASN 28 HD22 ASN 28 -3.401 -2.055 22.780 238 H LEU 29 HN LEU 29 -7.012 -0.922 18.089 239 HA LEU 29 HA LEU 29 -6.853 -2.550 15.783 240 HB2 LEU 29 HB2 LEU 29 -9.033 -0.832 16.963 241 HB3 LEU 29 HB1 LEU 29 -9.261 -1.648 15.420 242 HG LEU 29 HG LEU 29 -8.402 -3.090 17.945 243 HD11 LEU 29 HD11 LEU 29 -10.821 -3.867 17.983 244 HD12 LEU 29 HD12 LEU 29 -11.164 -2.588 16.823 245 HD13 LEU 29 HD13 LEU 29 -10.563 -2.181 18.429 246 HD21 LEU 29 HD21 LEU 29 -9.578 -5.015 16.493 247 HD22 LEU 29 HD22 LEU 29 -7.910 -4.562 16.188 248 HD23 LEU 29 HD23 LEU 29 -9.184 -3.942 15.147 249 H GLN 30 HN GLN 30 -6.976 0.933 16.362 250 HA GLN 30 HA GLN 30 -7.197 1.607 13.602 251 HB2 GLN 30 HB2 GLN 30 -6.386 3.173 16.034 252 HB3 GLN 30 HB1 GLN 30 -6.405 3.882 14.418 253 HG2 GLN 30 HG2 GLN 30 -8.796 2.497 15.641 254 HG3 GLN 30 HG1 GLN 30 -8.527 4.236 15.756 255 HE21 GLN 30 HE21 GLN 30 -10.307 2.114 14.020 256 HE22 GLN 30 HE22 GLN 30 -10.335 2.898 12.512 257 H ASN 31 HN ASN 31 -4.530 0.840 15.725 258 HA ASN 31 HA ASN 31 -2.465 1.984 14.181 259 HB2 ASN 31 HB2 ASN 31 -2.459 -0.366 16.070 260 HB3 ASN 31 HB1 ASN 31 -1.002 0.256 15.305 261 HD21 ASN 31 HD21 ASN 31 -1.371 0.306 18.155 262 HD22 ASN 31 HD22 ASN 31 -1.472 1.930 18.634 263 H LEU 32 HN LEU 32 -4.020 -1.145 14.117 264 HA LEU 32 HA LEU 32 -2.411 -2.379 12.195 265 HB2 LEU 32 HB2 LEU 32 -5.285 -2.770 13.011 266 HB3 LEU 32 HB1 LEU 32 -4.536 -3.762 11.762 267 HG LEU 32 HG LEU 32 -3.352 -3.442 14.540 268 HD11 LEU 32 HD11 LEU 32 -5.531 -4.418 14.849 269 HD12 LEU 32 HD12 LEU 32 -4.358 -5.724 14.950 270 HD13 LEU 32 HD13 LEU 32 -5.307 -5.508 13.477 271 HD21 LEU 32 HD21 LEU 32 -2.811 -5.245 12.154 272 HD22 LEU 32 HD22 LEU 32 -2.411 -5.797 13.779 273 HD23 LEU 32 HD23 LEU 32 -1.665 -4.344 13.142 274 H PHE 33 HN PHE 33 -5.277 -0.349 11.978 275 HA PHE 33 HA PHE 33 -5.619 -0.532 9.174 276 HB2 PHE 33 HB2 PHE 33 -7.294 0.464 10.735 277 HB3 PHE 33 HB1 PHE 33 -6.228 1.849 10.958 278 HD1 PHE 33 HD2 PHE 33 -7.906 -0.148 8.275 279 HD2 PHE 33 HD1 PHE 33 -6.373 3.681 9.473 280 HE1 PHE 33 HE2 PHE 33 -8.811 0.861 6.201 281 HE2 PHE 33 HE1 PHE 33 -7.283 4.688 7.393 282 HZ PHE 33 HZ PHE 33 -8.499 3.275 5.761 283 H ILE 34 HN ILE 34 -3.822 1.735 11.205 284 HA ILE 34 HA ILE 34 -2.752 3.319 9.097 285 HB ILE 34 HB ILE 34 -1.791 2.828 11.916 286 HG12 ILE 34 HG12 ILE 34 -3.978 3.964 11.751 287 HG13 ILE 34 HG11 ILE 34 -2.754 5.072 12.347 288 HG21 ILE 34 HG21 ILE 34 0.159 3.572 10.836 289 HG22 ILE 34 HG22 ILE 34 -0.539 5.061 11.471 290 HG23 ILE 34 HG23 ILE 34 -0.732 4.653 9.767 291 HD11 ILE 34 HD3 ILE 34 -3.723 6.436 10.763 292 HD12 ILE 34 HD1 ILE 34 -4.246 5.088 9.761 293 HD13 ILE 34 HD2 ILE 34 -2.573 5.631 9.697 294 H ASN 35 HN ASN 35 -1.350 0.578 10.905 295 HA ASN 35 HA ASN 35 1.099 0.531 9.524 296 HB2 ASN 35 HB2 ASN 35 0.791 -0.609 11.676 297 HB3 ASN 35 HB1 ASN 35 -0.373 -1.700 10.935 298 HD21 ASN 35 HD21 ASN 35 3.063 -0.680 10.652 299 HD22 ASN 35 HD22 ASN 35 3.615 -2.176 10.074 300 H PHE 36 HN PHE 36 -1.939 -1.150 9.181 301 HA PHE 36 HA PHE 36 -1.271 -2.788 7.028 302 HB2 PHE 36 HB2 PHE 36 -3.341 -3.139 8.230 303 HB3 PHE 36 HB1 PHE 36 -3.946 -1.556 7.732 304 HD1 PHE 36 HD2 PHE 36 -2.569 -4.715 6.280 305 HD2 PHE 36 HD1 PHE 36 -5.296 -1.434 5.805 306 HE1 PHE 36 HE2 PHE 36 -3.442 -5.741 4.206 307 HE2 PHE 36 HE1 PHE 36 -6.174 -2.460 3.723 308 HZ PHE 36 HZ PHE 36 -5.245 -4.613 2.922 309 H ALA 37 HN ALA 37 -1.887 0.619 7.181 310 HA ALA 37 HA ALA 37 -2.432 0.957 4.393 311 HB1 ALA 37 HB1 ALA 37 -1.452 3.085 6.295 312 HB2 ALA 37 HB2 ALA 37 -3.129 2.521 6.306 313 HB3 ALA 37 HB3 ALA 37 -2.460 3.276 4.855 314 H LEU 38 HN LEU 38 0.368 1.098 6.543 315 HA LEU 38 HA LEU 38 2.214 2.231 4.734 316 HB2 LEU 38 HB2 LEU 38 2.652 0.310 7.033 317 HB3 LEU 38 HB1 LEU 38 3.953 1.108 6.155 318 HG LEU 38 HG LEU 38 1.723 2.561 7.610 319 HD11 LEU 38 HD11 LEU 38 4.612 2.189 8.441 320 HD12 LEU 38 HD12 LEU 38 3.268 1.270 9.103 321 HD13 LEU 38 HD13 LEU 38 3.352 3.011 9.353 322 HD21 LEU 38 HD21 LEU 38 2.516 4.122 6.042 323 HD22 LEU 38 HD22 LEU 38 4.143 3.439 6.019 324 HD23 LEU 38 HD23 LEU 38 3.623 4.432 7.379 325 H ILE 39 HN ILE 39 1.209 -1.121 5.284 326 HA ILE 39 HA ILE 39 3.122 -2.327 3.563 327 HB ILE 39 HB ILE 39 0.327 -3.180 4.392 328 HG12 ILE 39 HG12 ILE 39 3.030 -4.262 5.260 329 HG13 ILE 39 HG11 ILE 39 2.180 -2.986 6.136 330 HG21 ILE 39 HG21 ILE 39 1.174 -5.476 3.647 331 HG22 ILE 39 HG22 ILE 39 2.449 -4.614 2.795 332 HG23 ILE 39 HG23 ILE 39 0.767 -4.346 2.359 333 HD11 ILE 39 HD3 ILE 39 1.129 -5.771 5.573 334 HD12 ILE 39 HD1 ILE 39 0.218 -4.492 6.371 335 HD13 ILE 39 HD2 ILE 39 1.658 -5.152 7.139 336 H LEU 40 HN LEU 40 -0.121 -1.081 3.117 337 HA LEU 40 HA LEU 40 -0.427 -1.764 0.363 338 HB2 LEU 40 HB2 LEU 40 -1.664 0.401 2.065 339 HB3 LEU 40 HB1 LEU 40 -2.038 0.275 0.353 340 HG LEU 40 HG LEU 40 -2.343 -2.045 2.283 341 HD11 LEU 40 HD11 LEU 40 -4.280 0.155 1.540 342 HD12 LEU 40 HD12 LEU 40 -3.850 -0.437 3.146 343 HD13 LEU 40 HD13 LEU 40 -4.844 -1.426 2.078 344 HD21 LEU 40 HD21 LEU 40 -3.140 -1.519 -0.601 345 HD22 LEU 40 HD22 LEU 40 -4.093 -2.632 0.381 346 HD23 LEU 40 HD23 LEU 40 -2.392 -2.949 0.107 347 H ILE 41 HN ILE 41 0.794 1.123 1.969 348 HA ILE 41 HA ILE 41 1.398 2.615 -0.352 349 HB ILE 41 HB ILE 41 2.497 2.697 2.459 350 HG12 ILE 41 HG12 ILE 41 0.683 4.635 1.008 351 HG13 ILE 41 HG11 ILE 41 0.060 3.282 1.943 352 HG21 ILE 41 HG21 ILE 41 3.291 4.990 1.763 353 HG22 ILE 41 HG22 ILE 41 3.010 4.499 0.097 354 HG23 ILE 41 HG23 ILE 41 4.203 3.648 1.076 355 HD11 ILE 41 HD3 ILE 41 0.999 4.125 3.971 356 HD12 ILE 41 HD1 ILE 41 0.219 5.500 3.185 357 HD13 ILE 41 HD2 ILE 41 1.972 5.311 3.103 358 H PHE 42 HN PHE 42 3.474 0.446 1.641 359 HA PHE 42 HA PHE 42 5.845 0.799 0.204 360 HB2 PHE 42 HB2 PHE 42 5.703 -0.392 2.364 361 HB3 PHE 42 HB1 PHE 42 4.890 -1.735 1.551 362 HD1 PHE 42 HD1 PHE 42 8.005 0.334 1.432 363 HD2 PHE 42 HD2 PHE 42 6.172 -3.446 0.517 364 HE1 PHE 42 HE1 PHE 42 10.210 -0.575 0.773 365 HE2 PHE 42 HE2 PHE 42 8.385 -4.354 -0.146 366 HZ PHE 42 HZ PHE 42 10.404 -2.917 -0.016 367 H LEU 43 HN LEU 43 3.266 -1.555 -0.272 368 HA LEU 43 HA LEU 43 4.417 -2.939 -2.442 369 HB2 LEU 43 HB2 LEU 43 1.531 -2.524 -1.656 370 HB3 LEU 43 HB1 LEU 43 2.040 -3.622 -2.934 371 HG LEU 43 HG LEU 43 3.083 -3.776 -0.095 372 HD11 LEU 43 HD11 LEU 43 1.498 -5.738 0.097 373 HD12 LEU 43 HD12 LEU 43 0.750 -5.195 -1.402 374 HD13 LEU 43 HD13 LEU 43 0.705 -4.162 0.024 375 HD21 LEU 43 HD21 LEU 43 4.583 -5.011 -1.422 376 HD22 LEU 43 HD22 LEU 43 3.346 -5.493 -2.572 377 HD23 LEU 43 HD23 LEU 43 3.424 -6.261 -0.989 378 H LEU 44 HN LEU 44 2.423 -0.051 -2.269 379 HA LEU 44 HA LEU 44 1.945 0.233 -5.040 380 HB2 LEU 44 HB2 LEU 44 1.922 2.128 -2.706 381 HB3 LEU 44 HB1 LEU 44 1.674 2.734 -4.335 382 HG LEU 44 HG LEU 44 0.042 0.467 -3.154 383 HD11 LEU 44 HD11 LEU 44 -0.475 2.268 -1.720 384 HD12 LEU 44 HD12 LEU 44 -1.731 2.365 -2.950 385 HD13 LEU 44 HD13 LEU 44 -0.350 3.468 -3.011 386 HD21 LEU 44 HD21 LEU 44 -1.603 1.511 -4.976 387 HD22 LEU 44 HD22 LEU 44 -0.324 0.419 -5.489 388 HD23 LEU 44 HD23 LEU 44 -0.116 2.158 -5.668 389 H LEU 45 HN LEU 45 4.551 1.333 -2.904 390 HA LEU 45 HA LEU 45 5.862 2.974 -4.791 391 HB2 LEU 45 HB2 LEU 45 6.906 1.526 -2.366 392 HB3 LEU 45 HB1 LEU 45 7.868 2.653 -3.304 393 HG LEU 45 HG LEU 45 5.203 3.368 -2.035 394 HD11 LEU 45 HD11 LEU 45 8.016 3.972 -1.067 395 HD12 LEU 45 HD12 LEU 45 6.922 2.801 -0.330 396 HD13 LEU 45 HD13 LEU 45 6.521 4.517 -0.311 397 HD21 LEU 45 HD21 LEU 45 5.551 4.983 -3.708 398 HD22 LEU 45 HD22 LEU 45 7.302 4.890 -3.603 399 HD23 LEU 45 HD23 LEU 45 6.388 5.743 -2.362 400 H ILE 46 HN ILE 46 6.210 -0.458 -4.057 401 HA ILE 46 HA ILE 46 8.442 -0.953 -5.695 402 HB ILE 46 HB ILE 46 6.135 -2.698 -4.813 403 HG12 ILE 46 HG12 ILE 46 7.526 -1.859 -2.963 404 HG13 ILE 46 HG11 ILE 46 7.782 -3.589 -3.175 405 HG21 ILE 46 HG21 ILE 46 7.025 -3.748 -6.736 406 HG22 ILE 46 HG22 ILE 46 7.749 -4.579 -5.352 407 HG23 ILE 46 HG23 ILE 46 8.684 -3.382 -6.258 408 HD11 ILE 46 HD3 ILE 46 9.985 -2.927 -3.028 409 HD12 ILE 46 HD1 ILE 46 9.654 -1.307 -3.624 410 HD13 ILE 46 HD2 ILE 46 9.787 -2.652 -4.753 411 H ALA 47 HN ALA 47 4.999 -1.017 -6.227 412 HA ALA 47 HA ALA 47 4.860 -2.004 -8.831 413 HB1 ALA 47 HB1 ALA 47 2.913 -1.349 -7.324 414 HB2 ALA 47 HB2 ALA 47 2.743 -0.937 -9.031 415 HB3 ALA 47 HB3 ALA 47 3.175 0.312 -7.863 416 H ILE 48 HN ILE 48 5.356 1.313 -7.710 417 HA ILE 48 HA ILE 48 5.591 2.564 -10.236 418 HB ILE 48 HB ILE 48 6.748 3.297 -7.545 419 HG12 ILE 48 HG12 ILE 48 4.286 3.216 -7.569 420 HG13 ILE 48 HG11 ILE 48 4.843 4.879 -7.449 421 HG21 ILE 48 HG21 ILE 48 6.648 4.811 -10.146 422 HG22 ILE 48 HG22 ILE 48 8.039 4.518 -9.102 423 HG23 ILE 48 HG23 ILE 48 6.774 5.638 -8.595 424 HD11 ILE 48 HD3 ILE 48 3.246 5.142 -9.089 425 HD12 ILE 48 HD1 ILE 48 3.435 3.501 -9.687 426 HD13 ILE 48 HD2 ILE 48 4.607 4.739 -10.133 427 H ILE 49 HN ILE 49 8.053 1.208 -8.068 428 HA ILE 49 HA ILE 49 10.285 1.920 -9.665 429 HB ILE 49 HB ILE 49 9.907 -0.301 -7.678 430 HG12 ILE 49 HG12 ILE 49 9.675 1.940 -6.693 431 HG13 ILE 49 HG11 ILE 49 11.172 1.198 -6.144 432 HG21 ILE 49 HG21 ILE 49 12.379 0.649 -9.125 433 HG22 ILE 49 HG22 ILE 49 11.769 -0.998 -8.967 434 HG23 ILE 49 HG23 ILE 49 12.485 -0.181 -7.572 435 HD11 ILE 49 HD3 ILE 49 10.770 3.509 -8.006 436 HD12 ILE 49 HD1 ILE 49 12.193 2.499 -8.244 437 HD13 ILE 49 HD2 ILE 49 11.938 3.311 -6.705 438 H VAL 50 HN VAL 50 8.369 -1.044 -9.476 439 HA VAL 50 HA VAL 50 9.882 -2.500 -11.364 440 HB VAL 50 HB VAL 50 6.986 -2.743 -10.525 441 HG11 VAL 50 HG11 VAL 50 7.096 -3.805 -12.653 442 HG12 VAL 50 HG12 VAL 50 7.305 -5.109 -11.486 443 HG13 VAL 50 HG13 VAL 50 8.703 -4.452 -12.332 444 HG21 VAL 50 HG21 VAL 50 9.403 -4.444 -9.843 445 HG22 VAL 50 HG22 VAL 50 7.802 -4.517 -9.105 446 HG23 VAL 50 HG23 VAL 50 8.838 -3.118 -8.829 447 H MET 51 HN MET 51 6.960 -0.494 -11.679 448 HA MET 51 HA MET 51 6.736 -0.851 -14.493 449 HB2 MET 51 HB2 MET 51 5.569 0.994 -12.447 450 HB3 MET 51 HB1 MET 51 5.253 1.260 -14.155 451 HG2 MET 51 HG2 MET 51 3.795 -0.532 -14.280 452 HG3 MET 51 HG1 MET 51 4.842 -1.577 -13.331 453 HE1 MET 51 HE1 MET 51 1.996 1.625 -11.835 454 HE2 MET 51 HE2 MET 51 3.207 1.721 -13.110 455 HE3 MET 51 HE3 MET 51 3.697 1.926 -11.429 456 H LEU 52 HN LEU 52 8.627 1.298 -12.428 457 HA LEU 52 HA LEU 52 9.061 3.381 -14.250 458 HB2 LEU 52 HB2 LEU 52 9.711 3.561 -11.906 459 HB3 LEU 52 HB1 LEU 52 10.906 2.291 -12.119 460 HG LEU 52 HG LEU 52 12.170 3.699 -13.680 461 HD11 LEU 52 HD11 LEU 52 11.378 6.197 -13.761 462 HD12 LEU 52 HD12 LEU 52 9.798 5.527 -13.357 463 HD13 LEU 52 HD13 LEU 52 10.618 5.023 -14.832 464 HD21 LEU 52 HD21 LEU 52 12.581 3.904 -11.236 465 HD22 LEU 52 HD22 LEU 52 11.411 5.224 -11.163 466 HD23 LEU 52 HD23 LEU 52 12.899 5.416 -12.089 467 H LEU 53 HN LEU 53 10.746 0.290 -13.868 468 HA LEU 53 HA LEU 53 12.656 0.911 -15.936 469 HB2 LEU 53 HB2 LEU 53 12.047 -1.715 -14.564 470 HB3 LEU 53 HB1 LEU 53 13.437 -1.384 -15.587 471 HG LEU 53 HG LEU 53 12.816 0.092 -13.011 472 HD11 LEU 53 HD11 LEU 53 14.959 -1.982 -13.549 473 HD12 LEU 53 HD12 LEU 53 13.433 -2.339 -12.745 474 HD13 LEU 53 HD13 LEU 53 14.577 -1.217 -12.008 475 HD21 LEU 53 HD21 LEU 53 15.023 0.271 -15.085 476 HD22 LEU 53 HD22 LEU 53 15.376 0.663 -13.403 477 HD23 LEU 53 HD23 LEU 53 14.152 1.570 -14.272
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